| 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 | 34.4 | Very low | 35.6 | Very low | 234 Ų | 234 | 140.9 Ų | 140.9 | 100% | 1.153 | 76% | 0.762 | S | S | * | * | 0 | 139 | 0 | -66.4 | 174.7 | -179.6 | 0 | 0 | 108.2 | L3 | M1-L3 PolarHBondContact O-N 2.72Š| |||
| 2 | T | 32.7 | Very low | 36.5 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -90.7 | 90.4 | -174.2 | -27.1 | 0 | 0 | 0 | 0 | 110.5 | K4 | T2-K4 PolarHBondContact O-N 2.94Š| ||
| 3 | L | 33.2 | Very low | 37.7 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | -73.8 | 90.7 | 175.8 | -76.2 | 171 | 0 | 0 | 0 | 110.4 | M1 F5 | M1-L3 PolarHBondContact O-N 2.72Å; L3-F5 HydrophobicContact CB-CD2 4.29Å; L3-F5 HydrophobicContact CB-CE2 4.01Å; L3-F5 HydrophobicContact CD1-CE2 4.44Å; L3-F5 PolarHBondContact O-N 2.85Å; L3-F5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | K | 30.8 | Very low | 38.7 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | trans | -70.7 | 95.7 | 169.3 | -71.9 | -173.8 | 176.1 | -175.6 | 0 | 109.8 | T2 S6 | T2-K4 PolarHBondContact O-N 2.94Å; K4-S6 PolarHBondContact O-N 2.74Å | ||
| 5 | F | 30.2 | Very low | 39.5 | Very low | 192 Ų | 192 | 125.7 Ų | 125.7 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | trans | -77.1 | 95.4 | 166.4 | -78 | -85.6 | 0 | 0 | 0 | 110.2 | L3 | L3-F5 HydrophobicContact CB-CD2 4.29Å; L3-F5 HydrophobicContact CB-CE2 4.01Å; L3-F5 HydrophobicContact CD1-CE2 4.44Å; L3-F5 PolarHBondContact O-N 2.85Å; L3-F5 VanDerWaalsContact O-N 3.1Å | ||
| 6 | S | 27.8 | Very low | 40.1 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -99.4 | 99.8 | 165.8 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | K4 T8 | K4-S6 PolarHBondContact O-N 2.74Å; S6-T8 PolarHBondContact O-N 3.5Å | ||
| 7 | G | 32.2 | Very low | 40.2 | Very low | 82 Ų | 82 | 122 Ų | 122 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | trans | -81.9 | 110.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | T | 36.6 | Very low | 40.2 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | trans | -89.7 | 109.3 | 173.8 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | S6 N10 | S6-T8 PolarHBondContact O-N 3.5Å; T8-N10 PolarHBondContact O-N 3.13Å | ||
| 9 | Y | 37.3 | Very low | 40.2 | Very low | 176 Ų | 176 | 119.7 Ų | 119.7 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | trans | -76.7 | 108.2 | 170.2 | 178.4 | -113.2 | 0 | 0 | 0 | 109.7 | V11 A14 | Y9-V11 HydrophobicContact CD1-CB 4.45Å; Y9-V11 HydrophobicContact CD1-CG2 3.69Å; Y9-V11 HydrophobicContact CE1-CB 4.13Å; Y9-V11 HydrophobicContact CE1-CG1 4.34Å; Y9-V11 HydrophobicContact CE1-CG2 3.73Å; Y9-V11 PolarHBondContact O-N 3.4Å; Y9-V11 VanDerWaalsContact O-N 3.17Å; Y9-A14 HydrophobicContact CE2-CB 3.93Å; Y9-A14 WeakPolarHBondContact OH-CB 3.38Å | ||
| 10 | N | 50.4 | Low | 40.3 | Very low | 97 Ų | 97 | 117 Ų | 117 | 52% | 0.519 | 63% | 0.632 | S | S | . | * | trans | -81.7 | 92.5 | 172.2 | -174 | -17.6 | 0 | 0 | 0 | 109.2 | T8 E12 A13 A14 | T8-N10 PolarHBondContact O-N 3.13Å; N10-E12 PolarHBondContact O-N 2.87Å; N10-E12 WeakPolarHBondContact OD1-CB 3.41Å; N10-E12 PolarHBondContact OD1-N 2.94Å; N10-E12 VanDerWaalsContact OD1-N 3.12Å; N10-A13 HydrophobicContact CB-CB 3.97Å; N10-A13 PolarHBondContact O-N 3.46Å; N10-A13 PolarHBondContact OD1-N 3.36Å; N10-A14 PolarHBondContact O-N 3.12Å; N10-A14 VanDerWaalsContact O-N 3.1Å | ||
| 11 | V | 45.9 | Very low | 40.5 | Very low | 69 Ų | 69 | 114.4 Ų | 114.4 | 42% | 0.418 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -50.5 | -47.7 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | Y9 A13 A14 E15 | Y9-V11 HydrophobicContact CD1-CB 4.45Å; Y9-V11 HydrophobicContact CD1-CG2 3.69Å; Y9-V11 HydrophobicContact CE1-CB 4.13Å; Y9-V11 HydrophobicContact CE1-CG1 4.34Å; Y9-V11 HydrophobicContact CE1-CG2 3.73Å; Y9-V11 PolarHBondContact O-N 3.4Å; Y9-V11 VanDerWaalsContact O-N 3.17Å; V11-A13 PolarHBondContact O-N 3.38Å; V11-A14 CarbonylContact O-C 3.6Å; V11-A14 PolarHBondContact O-N 2.75Å; V11-A14 VanDerWaalsContact O-N 3.08Å; V11-E15 HydrophobicContact CG1-CG 4.39Å; V11-E15 WeakPolarHBondContact O-CG 3.33Å; V11-E15 PolarHBondContact O-N 3.49Å |
| 12 | E | 46.3 | Very low | 41 | Very low | 128 Ų | 128 | 108.4 Ų | 108.4 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.1 | -39.6 | -175.1 | -152.9 | -174 | 166.6 | 0 | 0 | 111.7 | N10 E15 Q16 | N10-E12 PolarHBondContact O-N 2.87Å; N10-E12 WeakPolarHBondContact OD1-CB 3.41Å; N10-E12 PolarHBondContact OD1-N 2.94Å; N10-E12 VanDerWaalsContact OD1-N 3.12Å; E12-E15 PolarHBondContact O-N 3.45Å; E12-Q16 VanDerWaalsContact O-CB 3.3Å; E12-Q16 WeakPolarHBondContact O-CB 3.44Å; E12-Q16 WeakPolarHBondContact O-CG 3.34Å; E12-Q16 PolarHBondContact O-N 3.39Å; E12-Q16 PolarHBondContact OE1-NE2 3.34Å |
| 13 | A | 52.8 | Low | 41.8 | Very low | 60 Ų | 60 | 109.5 Ų | 109.5 | 50% | 0.496 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71 | -29.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N10 V11 | N10-A13 HydrophobicContact CB-CB 3.97Å; N10-A13 PolarHBondContact O-N 3.46Å; N10-A13 PolarHBondContact OD1-N 3.36Å; V11-A13 PolarHBondContact O-N 3.38Å |
| 14 | A | 50.9 | Low | 43.5 | Very low | 34 Ų | 34 | 106.8 Ų | 106.8 | 28% | 0.281 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77.1 | -23.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y9 N10 V11 V17 | Y9-A14 HydrophobicContact CE2-CB 3.93Å; Y9-A14 WeakPolarHBondContact OH-CB 3.38Å; N10-A14 PolarHBondContact O-N 3.12Å; N10-A14 VanDerWaalsContact O-N 3.1Å; V11-A14 CarbonylContact O-C 3.6Å; V11-A14 PolarHBondContact O-N 2.75Å; V11-A14 VanDerWaalsContact O-N 3.08Å; A14-V17 WeakPolarHBondContact O-CG2 2.88Å |
| 15 | E | 51.1 | Low | 45.9 | Very low | 114 Ų | 114 | 99.7 Ų | 99.7 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -89.4 | -28.9 | 175.2 | -72.3 | 179 | 173.7 | 0 | 0 | 113 | V11 E12 V17 H418 | V11-E15 HydrophobicContact CG1-CG 4.39Å; V11-E15 WeakPolarHBondContact O-CG 3.33Å; V11-E15 PolarHBondContact O-N 3.49Å; E12-E15 PolarHBondContact O-N 3.45Å; E15-V17 PolarHBondContact O-N 3Å; E15-H418 PolarHBondContact O-CD2 2.65Å; E15-H418 PolarHBondContact O-NE2 2.8Å |
| 16 | Q | 49.3 | Very low | 48.6 | Very low | 121 Ų | 121 | 90.8 Ų | 90.8 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -72.6 | 45.3 | 170.7 | -72.1 | 177.7 | 23.6 | 0 | 0 | 112.5 | E12 D18 | E12-Q16 VanDerWaalsContact O-CB 3.3Å; E12-Q16 WeakPolarHBondContact O-CB 3.44Å; E12-Q16 WeakPolarHBondContact O-CG 3.34Å; E12-Q16 PolarHBondContact O-N 3.39Å; E12-Q16 PolarHBondContact OE1-NE2 3.34Å; Q16-D18 PolarHBondContact O-N 2.62Å; Q16-D18 VanDerWaalsContact O-N 3.16Å |
| 17 | V | 41.5 | Very low | 51.5 | Low | 67 Ų | 67 | 87.3 Ų | 87.3 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | trans | -54 | 122.7 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | A14 E15 R19 | A14-V17 WeakPolarHBondContact O-CG2 2.88Å; E15-V17 PolarHBondContact O-N 3Å; V17-R19 PolarHBondContact O-N 2.84Å | ||
| 18 | D | 39.8 | Very low | 54.3 | Low | 98 Ų | 98 | 83.4 Ų | 83.4 | 52% | 0.524 | 44% | 0.439 | S | S | . | . | trans | -56.8 | 110.4 | -164.3 | -179.7 | 4.2 | 0 | 0 | 0 | 112.3 | Q16 S20 S21 | Q16-D18 PolarHBondContact O-N 2.62Å; Q16-D18 VanDerWaalsContact O-N 3.16Å; D18-S20 PolarHBondContact O-N 2.94Å; D18-S20 WeakPolarHBondContact OD1-CB 3.47Å; D18-S20 PolarHBondContact OD1-N 3.2Å; D18-S20 PolarHBondContact OD1-OG 3.2Å; D18-S20 PolarHBondContact OD2-OG 3.43Å; D18-S21 VanDerWaalsContact O-CB 3.24Å; D18-S21 WeakPolarHBondContact O-CB 3.29Å; D18-S21 PolarHBondContact O-N 2.95Å; D18-S21 VanDerWaalsContact O-N 3.08Å; D18-S21 PolarHBondContact O-OG 3.13Å | ||
| 19 | R | 41.7 | Very low | 56.9 | Low | 103 Ų | 103 | 79.5 Ų | 79.5 | 39% | 0.389 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -72.2 | -9.2 | -177.6 | -144.8 | -164.8 | -39.8 | 146.6 | 16.4 | 113.3 | V17 S21 Y22 H418 S419 R420 | V17-R19 PolarHBondContact O-N 2.84Å; R19-S21 PolarHBondContact O-N 2.85Å; R19-Y22 HydrophobicContact CG-CD2 3.85Å; R19-Y22 HydrophobicContact CG-CE2 4.4Å; R19-H418 WeakPolarHBondContact CD-O 3.34Å; R19-H418 HydrophobicContact CG-CB 4.33Å; R19-H418 VanDerWaalsContact CZ-C 3.45Å; R19-H418 VanDerWaalsContact NE-C 3.29Å; R19-H418 PolarHBondContact NE-O 3.47Å; R19-S419 VanDerWaalsContact CZ-O 3.3Å; R19-S419 PolarHBondContact NH1-O 2.91Å; R19-S419 PolarHBondContact NH2-O 2.9Å; R19-R420 PolarHBondContact NH1-O 3.26Å |
| 20 | S | 41.1 | Very low | 59.6 | Low | 65 Ų | 65 | 71.1 Ų | 71.1 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -61.7 | -31.5 | 167.9 | 85.1 | 0 | 0 | 0 | 0 | 111.4 | D18 Y22 Q23 | D18-S20 PolarHBondContact O-N 2.94Å; D18-S20 WeakPolarHBondContact OD1-CB 3.47Å; D18-S20 PolarHBondContact OD1-N 3.2Å; D18-S20 PolarHBondContact OD1-OG 3.2Å; D18-S20 PolarHBondContact OD2-OG 3.43Å; S20-Y22 PolarHBondContact O-N 3.08Å; S20-Y22 VanDerWaalsContact O-N 3.14Å; S20-Q23 WeakPolarHBondContact O-CB 2.95Å; S20-Q23 PolarHBondContact O-N 3.35Å; S20-Q23 VanDerWaalsContact O-N 3.07Å |
| 21 | S | 43.8 | Very low | 61.6 | Low | 63 Ų | 63 | 71.4 Ų | 71.4 | 44% | 0.441 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -56.8 | -32.4 | -179.2 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | D18 R19 Q23 N24 | D18-S21 VanDerWaalsContact O-CB 3.24Å; D18-S21 WeakPolarHBondContact O-CB 3.29Å; D18-S21 PolarHBondContact O-N 2.95Å; D18-S21 VanDerWaalsContact O-N 3.08Å; D18-S21 PolarHBondContact O-OG 3.13Å; R19-S21 PolarHBondContact O-N 2.85Å; S21-Q23 PolarHBondContact O-N 2.52Å; S21-N24 PolarHBondContact O-N 2.75Å |
| 22 | Y | 44.7 | Very low | 63.9 | Low | 108 Ų | 108 | 68.3 Ų | 68.3 | 42% | 0.424 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -61.4 | -29.3 | 179.2 | -80.7 | -76.6 | 0 | 0 | 0 | 113.4 | R19 S20 N24 S25 R416 | R19-Y22 HydrophobicContact CG-CD2 3.85Å; R19-Y22 HydrophobicContact CG-CE2 4.4Å; S20-Y22 PolarHBondContact O-N 3.08Å; S20-Y22 VanDerWaalsContact O-N 3.14Å; Y22-N24 PolarHBondContact O-N 3.2Å; Y22-S25 PolarHBondContact O-OG 3.26Å; Y22-S25 VanDerWaalsContact O-OG 3.13Å; Y22-R416 PolarHBondContact OH-O 2.9Å |
| 23 | Q | 51.2 | Low | 66.1 | Low | 158 Ų | 158 | 62.6 Ų | 62.6 | 74% | 0.738 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -67.5 | -14.3 | 177.6 | -65.7 | -175.7 | -24.5 | 0 | 0 | 113.3 | S20 S21 R44 | S20-Q23 WeakPolarHBondContact O-CB 2.95Å; S20-Q23 PolarHBondContact O-N 3.35Å; S20-Q23 VanDerWaalsContact O-N 3.07Å; S21-Q23 PolarHBondContact O-N 2.52Å; Q23-R44 PolarHBondContact O-NH1 3.01Å; Q23-R44 PolarHBondContact O-NH2 2.85Å; Q23-R44 VanDerWaalsContact O-NH2 3.09Å |
| 24 | N | 69.1 | Low | 67.6 | Low | 84 Ų | 84 | 61.3 Ų | 61.3 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -113.1 | 20.6 | -174 | -135.8 | 25.4 | 0 | 0 | 0 | 114.8 | S21 Y22 R44 | S21-N24 PolarHBondContact O-N 2.75Å; Y22-N24 PolarHBondContact O-N 3.2Å; N24-R44 VanDerWaalsContact O-CB 3.29Å; N24-R44 WeakPolarHBondContact O-CB 3.28Å; N24-R44 WeakPolarHBondContact O-CD 3.37Å; N24-R44 WeakPolarHBondContact O-CG 3.39Å; N24-R44 PolarHBondContact O-N 2.94Å; N24-R44 WeakPolarHBondContact OD1-CD 2.95Å; N24-R44 PolarHBondContact OD1-NH1 3.44Å |
| 25 | S | 79.8 | Confident | 69.1 | Low | 40 Ų | 40 | 62.9 Ų | 62.9 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 165.5 | 173.4 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | Y22 V42 R44 | Y22-S25 PolarHBondContact O-OG 3.26Å; Y22-S25 VanDerWaalsContact O-OG 3.13Å; S25-V42 CarbonylContact C-O 3.59Å; S25-V42 WeakPolarHBondContact CA-O 3.48Å; S25-R44 PolarHBondContact O-NE 3.45Å |
| 26 | I | 86.5 | Confident | 70.7 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 155.8 | 165.8 | 44.2 | 169.2 | 0 | 0 | 0 | 109.4 | V42 R44 I91 R92 F101 | I26-V42 HydrophobicContact CD1-CG2 4.12Å; I26-V42 HydrophobicContact CG1-CG2 3.83Å; I26-V42 WeakPolarHBondContact CG1-O 3.46Å; I26-V42 PolarHBondContact N-O 3.2Å; I26-V42 PolarHBondContact O-N 3.07Å; I26-R44 HydrophobicContact CB-CG 4.43Å; I26-R44 HydrophobicContact CG1-CG 4.33Å; I26-R44 HydrophobicContact CG2-CG 3.62Å; I26-I91 HydrophobicContact CD1-CB 4.5Å; I26-I91 HydrophobicContact CD1-CG2 4.47Å; I26-R92 HydrophobicContact CD1-CG 4.34Å; I26-F101 HydrophobicContact CB-CD2 4.46Å; I26-F101 HydrophobicContact CB-CE2 4.31Å; I26-F101 HydrophobicContact CD1-CD2 4.03Å; I26-F101 HydrophobicContact CD1-CE2 3.85Å; I26-F101 HydrophobicContact CG2-CE2 4.07Å |
| 27 | T | 88.8 | Confident | 72.3 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 18% | 0.184 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129 | 176.3 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | N29 A39 A99 N100 F101 | T27-N29 WeakPolarHBondContact CG2-OD1 3.42Å; T27-A39 HydrophobicContact CG2-CB 4.1Å; T27-A99 PolarHBondContact N-O 3.09Å; T27-N100 WeakPolarHBondContact O-CA 3.45Å; T27-F101 PolarHBondContact O-N 3.41Å |
| 28 | C | 91.2 | Very high | 74.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 103.3 | 178.5 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | F40 L51 F101 F103 | C28-F40 PolarHBondContact N-O 3.41Å; C28-F40 PolarHBondContact O-N 2.87Å; C28-L51 HydrophobicContact CB-CD1 3.61Å; C28-L51 HydrophobicContact CB-CD2 3.69Å; C28-L51 HydrophobicContact CB-CG 4.32Å; C28-F101 CarbonylContact C-O 3.54Å; C28-F101 WeakPolarHBondContact CA-O 3.5Å; C28-F103 HydrophobicContact CB-CD2 4.12Å; C28-F103 HydrophobicContact CB-CE2 3.81Å |
| 29 | N | 92.3 | Very high | 76.9 | Confident | 49 Ų | 49 | 53 Ų | 53 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 113.8 | 178.9 | -64 | -17.2 | 0 | 0 | 0 | 108.8 | T27 F101 T102 F103 | T27-N29 WeakPolarHBondContact CG2-OD1 3.42Å; N29-F101 PolarHBondContact N-O 3.21Å; N29-T102 CarbonylContact O-C 3.51Å; N29-T102 WeakPolarHBondContact O-CA 3.39Å; N29-F103 PolarHBondContact O-N 3.41Å |
| 30 | V | 92.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 114.1 | -179.2 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | L32 A37 V38 F40 L51 T55 L69 F103 F105 | V30-L32 HydrophobicContact CG1-CD2 4.03Å; V30-A37 WeakPolarHBondContact O-CA 3.31Å; V30-V38 PolarHBondContact N-O 3.26Å; V30-V38 PolarHBondContact O-N 3.03Å; V30-F40 HydrophobicContact CB-CD2 4.2Å; V30-F40 HydrophobicContact CB-CE2 3.97Å; V30-F40 HydrophobicContact CG2-CD2 3.7Å; V30-F40 HydrophobicContact CG2-CE2 3.85Å; V30-L51 HydrophobicContact CG2-CD1 4.13Å; V30-L51 HydrophobicContact CG2-CD2 4.45Å; V30-L51 HydrophobicContact CG2-CG 4.41Å; V30-T55 HydrophobicContact CG1-CG2 3.91Å; V30-L69 HydrophobicContact CG1-CD2 3.57Å; V30-L69 HydrophobicContact CG2-CD1 4.44Å; V30-L69 HydrophobicContact CG2-CD2 4.23Å; V30-F103 WeakPolarHBondContact CA-O 3.41Å; V30-F103 HydrophobicContact CG2-CB 4.25Å; V30-F105 HydrophobicContact CG1-CB 4.35Å |
| 31 | W | 92.4 | Very high | 81.5 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 125.3 | 169.6 | -69.1 | 88.5 | 0 | 0 | 0 | 110.3 | S35 T36 A37 F103 W104 F105 | W31-S35 WeakPolarHBondContact CZ3-O 3.47Å; W31-T36 CarbonylContact C-O 3.55Å; W31-T36 WeakPolarHBondContact CA-O 3.07Å; W31-A37 HydrophobicContact CD2-CB 3.87Å; W31-A37 HydrophobicContact CE3-CB 3.89Å; W31-A37 HydrophobicContact CG-CB 4.43Å; W31-A37 HydrophobicContact CH2-CB 4.3Å; W31-A37 HydrophobicContact CZ2-CB 4.28Å; W31-A37 HydrophobicContact CZ3-CB 4.11Å; W31-F103 PolarHBondContact N-O 3.03Å; W31-W104 HydrophobicContact CB-CG 4.09Å; W31-W104 AromaticContact CD1-NE1 3.97Å; W31-W104 AromaticContact CG-CD1 3.96Å; W31-W104 CarbonylContact O-C 3.54Å; W31-W104 WeakPolarHBondContact O-CA 3.4Å; W31-F105 PolarHBondContact O-N 3.13Å |
| 32 | L | 94.1 | Very high | 83.6 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | trans | -86.5 | 177.5 | 178.4 | -59.4 | -177.4 | 0 | 0 | 0 | 111.1 | V30 D34 S35 T36 V38 T55 F58 L59 F105 | V30-L32 HydrophobicContact CG1-CD2 4.03Å; L32-D34 WeakPolarHBondContact CB-OD1 3.45Å; L32-S35 PolarHBondContact O-N 2.77Å; L32-T36 PolarHBondContact N-O 3.3Å; L32-V38 HydrophobicContact CD1-CG2 3.83Å; L32-V38 HydrophobicContact CG-CG2 4.35Å; L32-T55 HydrophobicContact CD2-CG2 4.25Å; L32-F58 HydrophobicContact CD1-CD1 4.04Å; L32-F58 HydrophobicContact CD1-CE1 3.71Å; L32-L59 HydrophobicContact CD1-CD2 3.92Å; L32-L59 HydrophobicContact CD2-CD1 4.27Å; L32-L59 HydrophobicContact CD2-CD2 4.11Å; L32-L59 HydrophobicContact CD2-CG 4.39Å; L32-F105 HydrophobicContact CD2-CB 4.03Å; L32-F105 HydrophobicContact CD2-CG 4.37Å | ||
| 33 | L | 92.3 | Very high | 85.5 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -16.7 | -176.8 | -76.8 | 169.9 | 0 | 0 | 0 | 113.8 | S35 F105 Q125 L128 Q129 | L33-S35 PolarHBondContact O-N 3.22Å; L33-F105 HydrophobicContact CD1-CD1 3.82Å; L33-F105 HydrophobicContact CD1-CE1 3.92Å; L33-F105 HydrophobicContact CG-CD1 3.94Å; L33-Q125 WeakPolarHBondContact CD1-O 3.41Å; L33-L128 HydrophobicContact CB-CB 3.86Å; L33-L128 HydrophobicContact CB-CD1 4.07Å; L33-Q129 HydrophobicContact CD1-CB 4.02Å; L33-Q129 HydrophobicContact CD2-CB 4.18Å |
| 34 | D | 85.2 | Confident | 87.1 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 17% | 0.171 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 6.4 | 167.9 | 52 | 33.8 | 0 | 0 | 0 | 112.8 | L32 T36 L128 R405 | L32-D34 WeakPolarHBondContact CB-OD1 3.45Å; D34-T36 PolarHBondContact O-N 3.3Å; D34-T36 VanDerWaalsContact OD1-CB 3.28Å; D34-T36 WeakPolarHBondContact OD1-CB 3.42Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.47Å; D34-T36 PolarHBondContact OD1-N 2.74Å; D34-T36 PolarHBondContact OD1-OG1 3.41Å; D34-L128 HydrophobicContact CB-CD1 4.15Å; D34-R405 IonicContact OD2-CZ 3.97Å; D34-R405 IonicContact OD2-NH1 3.94Å; D34-R405 PolarHBondContact OD2-NH1 3.07Å; D34-R405 IonicContact OD2-NH2 3.7Å |
| 35 | S | 82.9 | Confident | 87.8 | Confident | 67 Ų | 67 | 43.7 Ų | 43.7 | 47% | 0.469 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 66.6 | 9 | -175 | -45.1 | 0 | 0 | 0 | 0 | 115.9 | W31 L32 L33 | W31-S35 WeakPolarHBondContact CZ3-O 3.47Å; L32-S35 PolarHBondContact O-N 2.77Å; L33-S35 PolarHBondContact O-N 3.22Å |
| 36 | T | 84.2 | Confident | 88.2 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 42% | 0.423 | 23% | 0.23 | S | C | . | . | trans | -73.2 | 157.1 | 166.6 | 66.9 | 0 | 0 | 0 | 0 | 111.2 | W31 L32 D34 | W31-T36 CarbonylContact C-O 3.55Å; W31-T36 WeakPolarHBondContact CA-O 3.07Å; L32-T36 PolarHBondContact N-O 3.3Å; D34-T36 PolarHBondContact O-N 3.3Å; D34-T36 VanDerWaalsContact OD1-CB 3.28Å; D34-T36 WeakPolarHBondContact OD1-CB 3.42Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.47Å; D34-T36 PolarHBondContact OD1-N 2.74Å; D34-T36 PolarHBondContact OD1-OG1 3.41Å | ||
| 37 | A | 83.7 | Confident | 88.5 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V30 W31 | V30-A37 WeakPolarHBondContact O-CA 3.31Å; W31-A37 HydrophobicContact CD2-CB 3.87Å; W31-A37 HydrophobicContact CE3-CB 3.89Å; W31-A37 HydrophobicContact CG-CB 4.43Å; W31-A37 HydrophobicContact CH2-CB 4.3Å; W31-A37 HydrophobicContact CZ2-CB 4.28Å; W31-A37 HydrophobicContact CZ3-CB 4.11Å |
| 38 | V | 87.4 | Confident | 88.6 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.1 | -177.9 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | V30 L32 F40 F58 | V30-V38 PolarHBondContact N-O 3.26Å; V30-V38 PolarHBondContact O-N 3.03Å; L32-V38 HydrophobicContact CD1-CG2 3.83Å; L32-V38 HydrophobicContact CG-CG2 4.35Å; V38-F40 HydrophobicContact CB-CE2 4.02Å; V38-F40 HydrophobicContact CB-CZ 4.26Å; V38-F40 HydrophobicContact CG1-CD2 4.29Å; V38-F40 HydrophobicContact CG1-CE1 4.03Å; V38-F40 HydrophobicContact CG1-CE2 3.75Å; V38-F40 HydrophobicContact CG1-CZ 3.61Å; V38-F58 HydrophobicContact CG1-CD2 4.1Å; V38-F58 HydrophobicContact CG1-CE2 4.03Å; V38-F58 HydrophobicContact CG1-CG 4.5Å; V38-F58 HydrophobicContact CG1-CZ 4.39Å; V38-F58 HydrophobicContact CG2-CD1 4.15Å; V38-F58 HydrophobicContact CG2-CE1 3.64Å; V38-F58 HydrophobicContact CG2-CE2 4.12Å; V38-F58 HydrophobicContact CG2-CZ 3.63Å |
| 39 | A | 90.4 | Very high | 88.7 | Confident | 54 Ų | 54 | 45.4 Ų | 45.4 | 45% | 0.446 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 103.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | T27 | T27-A39 HydrophobicContact CG2-CB 4.1Å |
| 40 | F | 89.9 | Confident | 88.8 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122.2 | 174.5 | -62 | -78.5 | 0 | 0 | 0 | 110.6 | C28 V30 V38 V42 L51 L54 F58 | C28-F40 PolarHBondContact N-O 3.41Å; C28-F40 PolarHBondContact O-N 2.87Å; V30-F40 HydrophobicContact CB-CD2 4.2Å; V30-F40 HydrophobicContact CB-CE2 3.97Å; V30-F40 HydrophobicContact CG2-CD2 3.7Å; V30-F40 HydrophobicContact CG2-CE2 3.85Å; V38-F40 HydrophobicContact CB-CE2 4.02Å; V38-F40 HydrophobicContact CB-CZ 4.26Å; V38-F40 HydrophobicContact CG1-CD2 4.29Å; V38-F40 HydrophobicContact CG1-CE1 4.03Å; V38-F40 HydrophobicContact CG1-CE2 3.75Å; V38-F40 HydrophobicContact CG1-CZ 3.61Å; F40-V42 HydrophobicContact CB-CG1 4.46Å; F40-L51 HydrophobicContact CB-CD1 3.79Å; F40-L51 HydrophobicContact CD2-CD1 3.83Å; F40-L51 HydrophobicContact CG-CD1 4.03Å; F40-L54 HydrophobicContact CD1-CB 3.85Å; F40-L54 HydrophobicContact CD1-CD1 4.44Å; F40-L54 HydrophobicContact CE1-CB 3.92Å; F40-L54 WeakPolarHBondContact CE1-O 3.13Å; F40-L54 HydrophobicContact CG-CB 4.42Å; F40-L54 WeakPolarHBondContact CZ-O 3.26Å; F40-F58 HydrophobicContact CE1-CB 4.26Å; F40-F58 HydrophobicContact CZ-CB 3.9Å; F40-F58 HydrophobicContact CZ-CG 4.27Å |
| 41 | R | 88.9 | Confident | 88.9 | Confident | 165 Ų | 165 | 45.9 Ų | 45.9 | 62% | 0.623 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.8 | 167.2 | -70 | -173.1 | 178.6 | -172.8 | 1.7 | 109.5 | ||
| 42 | V | 87.5 | Confident | 89 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 157.4 | -177.6 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | S25 I26 F40 C46 L54 | S25-V42 CarbonylContact C-O 3.59Å; S25-V42 WeakPolarHBondContact CA-O 3.48Å; I26-V42 HydrophobicContact CD1-CG2 4.12Å; I26-V42 HydrophobicContact CG1-CG2 3.83Å; I26-V42 WeakPolarHBondContact CG1-O 3.46Å; I26-V42 PolarHBondContact N-O 3.2Å; I26-V42 PolarHBondContact O-N 3.07Å; F40-V42 HydrophobicContact CB-CG1 4.46Å; V42-C46 HydrophobicContact CB-CB 4.41Å; V42-C46 WeakPolarHBondContact CG2-SG 3.46Å; V42-L54 HydrophobicContact CG1-CD1 3.58Å |
| 43 | D | 85.3 | Confident | 88.9 | Confident | 86 Ų | 86 | 43.9 Ų | 43.9 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 143.2 | 173.8 | 167.4 | 57 | 0 | 0 | 0 | 111.8 | G45 C46 | D43-G45 VanDerWaalsContact CG-N 3.34Å; D43-G45 PolarHBondContact O-N 2.96Å; D43-G45 VanDerWaalsContact O-N 3.1Å; D43-G45 WeakPolarHBondContact OD2-CA 3.38Å; D43-G45 PolarHBondContact OD2-N 2.87Å; D43-C46 VanDerWaalsContact O-CB 3.31Å; D43-C46 WeakPolarHBondContact O-CB 3.17Å; D43-C46 PolarHBondContact O-N 3.33Å; D43-C46 PolarHBondContact O-SG 3.41Å; D43-C46 PolarHBondContact OD2-N 3.02Å |
| 44 | R | 84.2 | Confident | 88.9 | Confident | 86 Ų | 86 | 46 Ų | 46 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.2 | 177.3 | -81.3 | 165 | -173.5 | 179.2 | -2.3 | 114.3 | Q23 N24 S25 I26 R92 | Q23-R44 PolarHBondContact O-NH1 3.01Å; Q23-R44 PolarHBondContact O-NH2 2.85Å; Q23-R44 VanDerWaalsContact O-NH2 3.09Å; N24-R44 VanDerWaalsContact O-CB 3.29Å; N24-R44 WeakPolarHBondContact O-CB 3.28Å; N24-R44 WeakPolarHBondContact O-CD 3.37Å; N24-R44 WeakPolarHBondContact O-CG 3.39Å; N24-R44 PolarHBondContact O-N 2.94Å; N24-R44 WeakPolarHBondContact OD1-CD 2.95Å; N24-R44 PolarHBondContact OD1-NH1 3.44Å; S25-R44 PolarHBondContact O-NE 3.45Å; I26-R44 HydrophobicContact CB-CG 4.43Å; I26-R44 HydrophobicContact CG1-CG 4.33Å; I26-R44 HydrophobicContact CG2-CG 3.62Å; R44-R92 WeakPolarHBondContact O-CD 3.3Å |
| 45 | G | 84.6 | Confident | 89.3 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 21% | 0.206 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -1.4 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | D43 K90 | D43-G45 VanDerWaalsContact CG-N 3.34Å; D43-G45 PolarHBondContact O-N 2.96Å; D43-G45 VanDerWaalsContact O-N 3.1Å; D43-G45 WeakPolarHBondContact OD2-CA 3.38Å; D43-G45 PolarHBondContact OD2-N 2.87Å; G45-K90 WeakPolarHBondContact O-CD 3.43Å; G45-K90 WeakPolarHBondContact O-CE 3.43Å; G45-K90 WeakPolarHBondContact O-CG 3.44Å; G45-K90 PolarHBondContact O-NZ 2.97Å |
| 46 | C | 87.5 | Confident | 89.7 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | trans | -63 | 156.1 | -176.2 | 70.4 | 0 | 0 | 0 | 0 | 114.3 | V42 D43 K90 I91 | V42-C46 HydrophobicContact CB-CB 4.41Å; V42-C46 WeakPolarHBondContact CG2-SG 3.46Å; D43-C46 VanDerWaalsContact O-CB 3.31Å; D43-C46 WeakPolarHBondContact O-CB 3.17Å; D43-C46 PolarHBondContact O-N 3.33Å; D43-C46 PolarHBondContact O-SG 3.41Å; D43-C46 PolarHBondContact OD2-N 3.02Å; C46-K90 CarbonylContact O-C 3.49Å; C46-K90 WeakPolarHBondContact O-CA 3.31Å; C46-I91 PolarHBondContact O-N 2.87Å; C46-I91 VanDerWaalsContact O-N 3.09Å; C46-I91 VanDerWaalsContact SG-CD1 3.55Å | ||
| 47 | S | 92.5 | Very high | 89.9 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 163.8 | 174.4 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | Q49 T50 | S47-Q49 PolarHBondContact O-N 3.32Å; S47-Q49 PolarHBondContact OG-N 2.9Å; S47-T50 PolarHBondContact O-N 2.95Å; S47-T50 PolarHBondContact OG-N 3.15Å; S47-T50 PolarHBondContact OG-OG1 2.91Å |
| 48 | G | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -28.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | L51 L52 P87 R89 | G48-L51 PolarHBondContact O-N 3.36Å; G48-L52 WeakPolarHBondContact O-CD1 3.18Å; G48-L52 WeakPolarHBondContact O-CG 3.17Å; G48-L52 PolarHBondContact O-N 3.32Å; G48-L52 VanDerWaalsContact O-N 3.13Å; G48-P87 PolarHBondContact N-O 3.41Å; G48-R89 PolarHBondContact N-O 3.36Å |
| 49 | Q | 93.3 | Very high | 90.1 | Very high | 63 Ų | 63 | 40 Ų | 40 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.9 | -170.5 | 62.1 | 55.1 | 0 | 0 | 111.2 | S47 L51 L52 D53 P87 | S47-Q49 PolarHBondContact O-N 3.32Å; S47-Q49 PolarHBondContact OG-N 2.9Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3.02Å; Q49-L52 WeakPolarHBondContact O-CA 3.49Å; Q49-L52 WeakPolarHBondContact O-CB 3.48Å; Q49-L52 PolarHBondContact O-N 3.47Å; Q49-D53 WeakPolarHBondContact CG-OD2 3.36Å; Q49-D53 PolarHBondContact NE2-OD1 2.85Å; Q49-D53 VanDerWaalsContact O-CG 3.22Å; Q49-D53 PolarHBondContact O-N 2.81Å; Q49-D53 VanDerWaalsContact O-OD2 3.1Å; Q49-P87 HydrophobicContact CB-CB 3.88Å; Q49-P87 PolarHBondContact N-O 3.06Å |
| 50 | T | 92.9 | Very high | 89.9 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 37% | 0.368 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.6 | -40.9 | 178.7 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | S47 L54 | S47-T50 PolarHBondContact O-N 2.95Å; S47-T50 PolarHBondContact OG-N 3.15Å; S47-T50 PolarHBondContact OG-OG1 2.91Å; T50-L54 HydrophobicContact CG2-CD1 4.36Å; T50-L54 WeakPolarHBondContact O-CB 3.29Å; T50-L54 VanDerWaalsContact O-CG 3.27Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 2.89Å; T50-L54 VanDerWaalsContact O-N 3.12Å |
| 51 | L | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.6 | -33.5 | 177.3 | -177.2 | 64.6 | 0 | 0 | 0 | 112.4 | C28 V30 F40 G48 Q49 T55 L69 L85 I91 F103 | C28-L51 HydrophobicContact CB-CD1 3.61Å; C28-L51 HydrophobicContact CB-CD2 3.69Å; C28-L51 HydrophobicContact CB-CG 4.32Å; V30-L51 HydrophobicContact CG2-CD1 4.13Å; V30-L51 HydrophobicContact CG2-CD2 4.45Å; V30-L51 HydrophobicContact CG2-CG 4.41Å; F40-L51 HydrophobicContact CB-CD1 3.79Å; F40-L51 HydrophobicContact CD2-CD1 3.83Å; F40-L51 HydrophobicContact CG-CD1 4.03Å; G48-L51 PolarHBondContact O-N 3.36Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3.02Å; L51-T55 WeakPolarHBondContact O-CB 3.5Å; L51-T55 PolarHBondContact O-N 2.82Å; L51-T55 PolarHBondContact O-OG1 3.07Å; L51-L69 HydrophobicContact CB-CD1 4.39Å; L51-L69 HydrophobicContact CD2-CD1 3.76Å; L51-L69 HydrophobicContact CG-CD1 3.68Å; L51-L85 HydrophobicContact CD2-CD2 4.32Å; L51-I91 HydrophobicContact CB-CD1 3.88Å; L51-I91 HydrophobicContact CD2-CD1 3.85Å; L51-I91 HydrophobicContact CG-CD1 4.48Å; L51-F103 HydrophobicContact CD2-CD2 3.57Å; L51-F103 HydrophobicContact CD2-CE1 4.5Å; L51-F103 HydrophobicContact CD2-CE2 3.49Å; L51-F103 VanDerWaalsContact CD2-CE2 3.49Å; L51-F103 HydrophobicContact CD2-CG 4.11Å; L51-F103 HydrophobicContact CD2-CZ 4Å |
| 52 | L | 94.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 172.4 | -78.3 | 161.2 | 0 | 0 | 0 | 110.9 | G48 Q49 L54 T55 F56 L69 P87 | G48-L52 WeakPolarHBondContact O-CD1 3.18Å; G48-L52 WeakPolarHBondContact O-CG 3.17Å; G48-L52 PolarHBondContact O-N 3.32Å; G48-L52 VanDerWaalsContact O-N 3.13Å; Q49-L52 WeakPolarHBondContact O-CA 3.49Å; Q49-L52 WeakPolarHBondContact O-CB 3.48Å; Q49-L52 PolarHBondContact O-N 3.47Å; L52-L54 PolarHBondContact O-N 3.49Å; L52-T55 WeakPolarHBondContact O-CB 3.38Å; L52-T55 PolarHBondContact O-N 3.21Å; L52-T55 VanDerWaalsContact O-N 3.09Å; L52-F56 HydrophobicContact CB-CD2 4.26Å; L52-F56 HydrophobicContact CB-CE2 3.78Å; L52-F56 HydrophobicContact CB-CZ 4.28Å; L52-F56 HydrophobicContact CD2-CE1 4.45Å; L52-F56 HydrophobicContact CD2-CE2 4.22Å; L52-F56 HydrophobicContact CD2-CZ 3.85Å; L52-F56 WeakPolarHBondContact O-CD2 3.45Å; L52-F56 WeakPolarHBondContact O-CG 3.46Å; L52-F56 PolarHBondContact O-N 2.95Å; L52-L69 HydrophobicContact CD2-CB 4.26Å; L52-L69 HydrophobicContact CD2-CD1 4.09Å; L52-L69 HydrophobicContact CD2-CG 3.79Å; L52-L69 HydrophobicContact CG-CD1 4.23Å; L52-L69 HydrophobicContact CG-CG 4.45Å; L52-P87 HydrophobicContact CD1-CB 3.9Å; L52-P87 HydrophobicContact CD1-CG 3.66Å |
| 53 | D | 91.8 | Very high | 89.2 | Confident | 57 Ų | 57 | 37.8 Ų | 37.8 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 179.2 | -59.7 | -33.7 | 0 | 0 | 0 | 111.2 | Q49 T55 F56 D57 | Q49-D53 WeakPolarHBondContact CG-OD2 3.36Å; Q49-D53 PolarHBondContact NE2-OD1 2.85Å; Q49-D53 VanDerWaalsContact O-CG 3.22Å; Q49-D53 PolarHBondContact O-N 2.81Å; Q49-D53 VanDerWaalsContact O-OD2 3.1Å; D53-T55 VanDerWaalsContact C-N 3.27Å; D53-T55 PolarHBondContact O-N 2.95Å; D53-F56 PolarHBondContact O-N 3Å; D53-D57 WeakPolarHBondContact O-CB 3.22Å; D53-D57 VanDerWaalsContact O-CG 3.23Å; D53-D57 PolarHBondContact O-N 2.98Å |
| 54 | L | 93.3 | Very high | 89.4 | Confident | 51 Ų | 51 | 36.9 Ų | 36.9 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.7 | -37.3 | 173.9 | -73.6 | 170.2 | 0 | 0 | 0 | 113.1 | F40 V42 T50 L52 F58 | F40-L54 HydrophobicContact CD1-CB 3.85Å; F40-L54 HydrophobicContact CD1-CD1 4.44Å; F40-L54 HydrophobicContact CE1-CB 3.92Å; F40-L54 WeakPolarHBondContact CE1-O 3.13Å; F40-L54 HydrophobicContact CG-CB 4.42Å; F40-L54 WeakPolarHBondContact CZ-O 3.26Å; V42-L54 HydrophobicContact CG1-CD1 3.58Å; T50-L54 HydrophobicContact CG2-CD1 4.36Å; T50-L54 WeakPolarHBondContact O-CB 3.29Å; T50-L54 VanDerWaalsContact O-CG 3.27Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 2.89Å; T50-L54 VanDerWaalsContact O-N 3.12Å; L52-L54 PolarHBondContact O-N 3.49Å; L54-F58 WeakPolarHBondContact O-CB 3.33Å; L54-F58 PolarHBondContact O-N 2.93Å; L54-F58 VanDerWaalsContact O-N 3.12Å |
| 55 | T | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.4 | -45.9 | 176.2 | -56 | 0 | 0 | 0 | 0 | 111.3 | V30 L32 L51 L52 D53 F58 L59 L69 F105 | V30-T55 HydrophobicContact CG1-CG2 3.91Å; L32-T55 HydrophobicContact CD2-CG2 4.25Å; L51-T55 WeakPolarHBondContact O-CB 3.5Å; L51-T55 PolarHBondContact O-N 2.82Å; L51-T55 PolarHBondContact O-OG1 3.07Å; L52-T55 WeakPolarHBondContact O-CB 3.38Å; L52-T55 PolarHBondContact O-N 3.21Å; L52-T55 VanDerWaalsContact O-N 3.09Å; D53-T55 VanDerWaalsContact C-N 3.27Å; D53-T55 PolarHBondContact O-N 2.95Å; T55-F58 PolarHBondContact O-N 2.8Å; T55-L59 HydrophobicContact CG2-CD1 4.14Å; T55-L59 WeakPolarHBondContact O-CG 3.18Å; T55-L59 PolarHBondContact O-N 2.85Å; T55-L59 VanDerWaalsContact O-N 3.11Å; T55-L69 HydrophobicContact CG2-CD2 4.37Å; T55-F105 HydrophobicContact CG2-CD2 3.82Å; T55-F105 HydrophobicContact CG2-CE2 4.4Å; T55-F105 HydrophobicContact CG2-CG 4.46Å |
| 56 | F | 92.5 | Very high | 90 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | -179.9 | -61.1 | -43.3 | 0 | 0 | 0 | 112.1 | L52 D53 L59 E60 L61 K64 F67 F105 | L52-F56 HydrophobicContact CB-CD2 4.26Å; L52-F56 HydrophobicContact CB-CE2 3.78Å; L52-F56 HydrophobicContact CB-CZ 4.28Å; L52-F56 HydrophobicContact CD2-CE1 4.45Å; L52-F56 HydrophobicContact CD2-CE2 4.22Å; L52-F56 HydrophobicContact CD2-CZ 3.85Å; L52-F56 WeakPolarHBondContact O-CD2 3.45Å; L52-F56 WeakPolarHBondContact O-CG 3.46Å; L52-F56 PolarHBondContact O-N 2.95Å; D53-F56 PolarHBondContact O-N 3Å; F56-L59 CarbonylContact O-C 3.56Å; F56-L59 PolarHBondContact O-N 3.23Å; F56-E60 PolarHBondContact O-N 3.14Å; F56-L61 HydrophobicContact CD1-CD2 3.87Å; F56-L61 HydrophobicContact CE1-CD2 4.28Å; F56-L61 PolarHBondContact O-N 3.09Å; F56-K64 HydrophobicContact CB-CD 3.7Å; F56-K64 HydrophobicContact CB-CG 3.94Å; F56-K64 HydrophobicContact CD1-CB 4.36Å; F56-K64 HydrophobicContact CD1-CG 4.29Å; F56-K64 HydrophobicContact CD2-CB 3.97Å; F56-K64 HydrophobicContact CD2-CD 3.67Å; F56-K64 HydrophobicContact CD2-CG 3.94Å; F56-K64 HydrophobicContact CE1-CB 4.36Å; F56-K64 HydrophobicContact CE2-CB 3.96Å; F56-K64 HydrophobicContact CE2-CD 4.42Å; F56-K64 HydrophobicContact CE2-CG 4.44Å; F56-K64 HydrophobicContact CG-CB 4.17Å; F56-K64 HydrophobicContact CG-CD 3.85Å; F56-K64 HydrophobicContact CG-CG 3.83Å; F56-K64 HydrophobicContact CZ-CB 4.15Å; F56-F67 HydrophobicContact CE1-CB 3.91Å; F56-F105 HydrophobicContact CD1-CE2 4.11Å; F56-F105 AromaticContact CE1-CE2 3.94Å; F56-F105 HydrophobicContact CE1-CE2 3.94Å |
| 57 | D | 88 | Confident | 90.4 | Very high | 82 Ų | 82 | 36.7 Ų | 36.7 | 44% | 0.439 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74.1 | -29.8 | 179.4 | -67.5 | -5.1 | 0 | 0 | 0 | 112.1 | D53 L59 E60 K64 | D53-D57 WeakPolarHBondContact O-CB 3.22Å; D53-D57 VanDerWaalsContact O-CG 3.23Å; D53-D57 PolarHBondContact O-N 2.98Å; D57-L59 VanDerWaalsContact C-N 3.33Å; D57-E60 PolarHBondContact O-N 3.2Å; D57-K64 IonicContact OD1-NZ 2.67Å; D57-K64 PolarHBondContact OD1-NZ 3.06Å |
| 58 | F | 88.9 | Confident | 90.5 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 167.9 | 179.7 | -86.5 | 0 | 0 | 0 | 111.6 | L32 V38 F40 L54 T55 E60 R405 R408 A409 | L32-F58 HydrophobicContact CD1-CD1 4.04Å; L32-F58 HydrophobicContact CD1-CE1 3.71Å; V38-F58 HydrophobicContact CG1-CD2 4.1Å; V38-F58 HydrophobicContact CG1-CE2 4.03Å; V38-F58 HydrophobicContact CG1-CG 4.5Å; V38-F58 HydrophobicContact CG1-CZ 4.39Å; V38-F58 HydrophobicContact CG2-CD1 4.15Å; V38-F58 HydrophobicContact CG2-CE1 3.64Å; V38-F58 HydrophobicContact CG2-CE2 4.12Å; V38-F58 HydrophobicContact CG2-CZ 3.63Å; F40-F58 HydrophobicContact CE1-CB 4.26Å; F40-F58 HydrophobicContact CZ-CB 3.9Å; F40-F58 HydrophobicContact CZ-CG 4.27Å; L54-F58 WeakPolarHBondContact O-CB 3.33Å; L54-F58 PolarHBondContact O-N 2.93Å; L54-F58 VanDerWaalsContact O-N 3.12Å; T55-F58 PolarHBondContact O-N 2.8Å; F58-E60 VanDerWaalsContact C-N 3.33Å; F58-R405 HydrophobicContact CE1-CG 4.36Å; F58-R408 HydrophobicContact CE2-CB 4.2Å; F58-A409 HydrophobicContact CZ-CB 4.44Å |
| 59 | L | 86.5 | Confident | 90.7 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9 | 179.1 | -69.7 | 170.8 | 0 | 0 | 0 | 114.3 | L32 T55 F56 D57 L61 F105 Y121 | L32-L59 HydrophobicContact CD1-CD2 3.92Å; L32-L59 HydrophobicContact CD2-CD1 4.27Å; L32-L59 HydrophobicContact CD2-CD2 4.11Å; L32-L59 HydrophobicContact CD2-CG 4.39Å; T55-L59 HydrophobicContact CG2-CD1 4.14Å; T55-L59 WeakPolarHBondContact O-CG 3.18Å; T55-L59 PolarHBondContact O-N 2.85Å; T55-L59 VanDerWaalsContact O-N 3.11Å; F56-L59 CarbonylContact O-C 3.56Å; F56-L59 PolarHBondContact O-N 3.23Å; D57-L59 VanDerWaalsContact C-N 3.33Å; L59-L61 HydrophobicContact CB-CB 4.03Å; L59-L61 PolarHBondContact O-N 2.85Å; L59-F105 HydrophobicContact CD1-CD1 4.03Å; L59-F105 HydrophobicContact CD1-CD2 4.03Å; L59-F105 HydrophobicContact CD1-CE1 3.69Å; L59-F105 HydrophobicContact CD1-CE2 3.66Å; L59-F105 HydrophobicContact CD1-CG 4.21Å; L59-F105 HydrophobicContact CD1-CZ 3.49Å; L59-F105 VanDerWaalsContact CD1-CZ 3.49Å; L59-Y121 HydrophobicContact CB-CE1 4.39Å; L59-Y121 WeakPolarHBondContact CD2-OH 3.4Å; L59-Y121 WeakPolarHBondContact O-CE1 3.1Å |
| 60 | E | 86.1 | Confident | 90.7 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 31.5 | -164.8 | -63.7 | -157.5 | -130.2 | 0 | 0 | 114 | F56 D57 F58 L62 M401 R408 R1151 | F56-E60 PolarHBondContact O-N 3.14Å; D57-E60 PolarHBondContact O-N 3.2Å; F58-E60 VanDerWaalsContact C-N 3.33Å; E60-L62 PolarHBondContact O-N 3.06Å; E60-M401 HydrophobicContact CB-CE 4.49Å; E60-R408 IonicContact OE1-CZ 3.66Å; E60-R408 IonicContact OE1-NH1 3.34Å; E60-R408 PolarHBondContact OE1-NH1 3.31Å; E60-R408 IonicContact OE1-NH2 2.87Å; E60-R408 PolarHBondContact OE1-NH2 3.33Å; E60-R1151 IonicContact OE1-NH1 2.78Å; E60-R1151 PolarHBondContact OE1-NH1 2.72Å; E60-R1151 IonicContact OE2-CZ 3.42Å; E60-R1151 IonicContact OE2-NH1 3.24Å; E60-R1151 PolarHBondContact OE2-NH1 3.03Å; E60-R1151 IonicContact OE2-NH2 3.45Å; E60-R1151 PolarHBondContact OE2-NH2 3.33Å |
| 61 | L | 83.3 | Confident | 90.7 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -79.7 | 119 | -172.3 | -170.5 | 66.4 | 0 | 0 | 0 | 111.5 | F56 L59 K64 F67 F105 Y121 | F56-L61 HydrophobicContact CD1-CD2 3.87Å; F56-L61 HydrophobicContact CE1-CD2 4.28Å; F56-L61 PolarHBondContact O-N 3.09Å; L59-L61 HydrophobicContact CB-CB 4.03Å; L59-L61 PolarHBondContact O-N 2.85Å; L61-K64 WeakPolarHBondContact O-CE 3.28Å; L61-K64 WeakPolarHBondContact O-CG 3.45Å; L61-F67 HydrophobicContact CD1-CE2 4.1Å; L61-F67 HydrophobicContact CD1-CZ 4.38Å; L61-F67 HydrophobicContact CD2-CB 4.5Å; L61-F67 HydrophobicContact CD2-CD1 4.5Å; L61-F67 HydrophobicContact CD2-CD2 3.58Å; L61-F67 HydrophobicContact CD2-CE2 3.8Å; L61-F67 HydrophobicContact CD2-CG 3.96Å; L61-F67 HydrophobicContact CD2-CZ 4.35Å; L61-F67 HydrophobicContact CG-CD2 4.48Å; L61-F67 HydrophobicContact CG-CE2 4.35Å; L61-F105 HydrophobicContact CD2-CE2 4.27Å; L61-F105 HydrophobicContact CD2-CZ 3.72Å; L61-Y121 HydrophobicContact CD1-CD1 4.12Å; L61-Y121 HydrophobicContact CD1-CE1 4.28Å | ||
| 62 | L | 81.9 | Confident | 90.2 | Very high | 126 Ų | 126 | 31.7 Ų | 31.7 | 66% | 0.66 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -84.6 | -46.2 | 179.2 | -58.3 | -176.8 | 0 | 0 | 0 | 112.5 | E60 K64 E119 | E60-L62 PolarHBondContact O-N 3.06Å; L62-K64 PolarHBondContact O-N 3.36Å; L62-E119 HydrophobicContact CB-CG 4.36Å; L62-E119 HydrophobicContact CD1-CG 4.24Å |
| 63 | E | 86.4 | Confident | 89.5 | Confident | 32 Ų | 32 | 33.6 Ų | 33.6 | 15% | 0.15 | 17% | 0.17 | C | C | . | . | trans | -81.3 | 51.8 | -178.4 | -63.6 | 175.5 | 96.3 | 0 | 0 | 112.3 | D65 F66 F67 Q118 E119 T122 | E63-D65 PolarHBondContact O-N 2.85Å; E63-D65 VanDerWaalsContact O-N 3.12Å; E63-F66 HydrophobicContact CB-CD2 3.9Å; E63-F66 HydrophobicContact CB-CE2 3.96Å; E63-F66 PolarHBondContact O-N 2.99Å; E63-F67 WeakPolarHBondContact O-CD2 3.48Å; E63-Q118 PolarHBondContact OE1-N 2.92Å; E63-Q118 PolarHBondContact OE2-N 2.81Å; E63-E119 HydrophobicContact CG-CG 4.49Å; E63-E119 WeakPolarHBondContact OE2-CB 3.43Å; E63-E119 PolarHBondContact OE2-N 2.84Å; E63-T122 HydrophobicContact CB-CG2 4.05Å; E63-T122 WeakPolarHBondContact OE2-CB 3.25Å; E63-T122 WeakPolarHBondContact OE2-CG2 3.33Å; E63-T122 PolarHBondContact OE2-OG1 3.34Å | ||
| 64 | K | 90.7 | Very high | 88.4 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 30% | 0.296 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -55.1 | -31.4 | -171.6 | -60.1 | -178.2 | 177.3 | -162.9 | 0 | 114.3 | F56 D57 L61 L62 F66 F67 | F56-K64 HydrophobicContact CB-CD 3.7Å; F56-K64 HydrophobicContact CB-CG 3.94Å; F56-K64 HydrophobicContact CD1-CB 4.36Å; F56-K64 HydrophobicContact CD1-CG 4.29Å; F56-K64 HydrophobicContact CD2-CB 3.97Å; F56-K64 HydrophobicContact CD2-CD 3.67Å; F56-K64 HydrophobicContact CD2-CG 3.94Å; F56-K64 HydrophobicContact CE1-CB 4.36Å; F56-K64 HydrophobicContact CE2-CB 3.96Å; F56-K64 HydrophobicContact CE2-CD 4.42Å; F56-K64 HydrophobicContact CE2-CG 4.44Å; F56-K64 HydrophobicContact CG-CB 4.17Å; F56-K64 HydrophobicContact CG-CD 3.85Å; F56-K64 HydrophobicContact CG-CG 3.83Å; F56-K64 HydrophobicContact CZ-CB 4.15Å; D57-K64 IonicContact OD1-NZ 2.67Å; D57-K64 PolarHBondContact OD1-NZ 3.06Å; L61-K64 WeakPolarHBondContact O-CE 3.28Å; L61-K64 WeakPolarHBondContact O-CG 3.45Å; L62-K64 PolarHBondContact O-N 3.36Å; K64-F66 VanDerWaalsContact C-N 3.25Å; K64-F66 PolarHBondContact O-N 3.21Å; K64-F67 PolarHBondContact O-N 2.95Å |
| 65 | D | 87.7 | Confident | 87 | Confident | 85 Ų | 85 | 36 Ų | 36 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -63.8 | -21.1 | -171.4 | -110.3 | -2.9 | 0 | 0 | 0 | 114.1 | E63 F327 R678 | E63-D65 PolarHBondContact O-N 2.85Å; E63-D65 VanDerWaalsContact O-N 3.12Å; D65-F327 HydrophobicContact CB-CE2 4.25Å; D65-F327 WeakPolarHBondContact O-CE2 3.24Å; D65-R678 IonicContact OD1-NH2 3.43Å; D65-R678 PolarHBondContact OD1-NH2 3.29Å; D65-R678 IonicContact OD2-NH2 2.7Å; D65-R678 PolarHBondContact OD2-NH2 3.28Å |
| 66 | F | 92.7 | Very high | 85.2 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -78.6 | -12.2 | 178.7 | -62.2 | -65.6 | 0 | 0 | 0 | 114.8 | E63 K64 K108 F109 V111 L117 T122 F126 F327 | E63-F66 HydrophobicContact CB-CD2 3.9Å; E63-F66 HydrophobicContact CB-CE2 3.96Å; E63-F66 PolarHBondContact O-N 2.99Å; K64-F66 VanDerWaalsContact C-N 3.25Å; K64-F66 PolarHBondContact O-N 3.21Å; F66-K108 WeakPolarHBondContact O-CA 3.43Å; F66-K108 WeakPolarHBondContact O-CB 3.26Å; F66-K108 PolarHBondContact O-N 2.69Å; F66-F109 PolarHBondContact O-N 2.87Å; F66-V111 HydrophobicContact CD1-CG1 4.1Å; F66-V111 HydrophobicContact CE1-CG1 3.54Å; F66-V111 HydrophobicContact CZ-CG1 3.95Å; F66-L117 HydrophobicContact CD2-CD2 3.89Å; F66-L117 HydrophobicContact CE1-CD2 4.46Å; F66-L117 HydrophobicContact CE2-CD2 3.62Å; F66-L117 HydrophobicContact CG-CD2 4.43Å; F66-L117 HydrophobicContact CZ-CD2 3.94Å; F66-T122 HydrophobicContact CD2-CG2 4.43Å; F66-F126 HydrophobicContact CB-CE2 4.12Å; F66-F126 HydrophobicContact CB-CZ 4.27Å; F66-F126 HydrophobicContact CG-CE2 4.43Å; F66-F126 HydrophobicContact CG-CZ 4.42Å; F66-F327 HydrophobicContact CD1-CE1 4.04Å; F66-F327 AromaticContact CD1-CZ 3.67Å; F66-F327 HydrophobicContact CD1-CZ 3.67Å; F66-F327 HydrophobicContact CE1-CE1 4.02Å; F66-F327 AromaticContact CE1-CZ 3.78Å; F66-F327 HydrophobicContact CE1-CZ 3.78Å |
| 67 | F | 95.9 | Very high | 83.6 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 176.5 | -162.1 | -64.1 | -90.9 | 0 | 0 | 0 | 113.7 | F56 L61 E63 K64 F105 V107 T122 Q125 F126 | F56-F67 HydrophobicContact CE1-CB 3.91Å; L61-F67 HydrophobicContact CD1-CE2 4.1Å; L61-F67 HydrophobicContact CD1-CZ 4.38Å; L61-F67 HydrophobicContact CD2-CB 4.5Å; L61-F67 HydrophobicContact CD2-CD1 4.5Å; L61-F67 HydrophobicContact CD2-CD2 3.58Å; L61-F67 HydrophobicContact CD2-CE2 3.8Å; L61-F67 HydrophobicContact CD2-CG 3.96Å; L61-F67 HydrophobicContact CD2-CZ 4.35Å; L61-F67 HydrophobicContact CG-CD2 4.48Å; L61-F67 HydrophobicContact CG-CE2 4.35Å; E63-F67 WeakPolarHBondContact O-CD2 3.48Å; K64-F67 PolarHBondContact O-N 2.95Å; F67-F105 HydrophobicContact CB-CE2 3.82Å; F67-F105 HydrophobicContact CB-CZ 3.85Å; F67-F105 AromaticContact CD1-CE1 3.73Å; F67-F105 HydrophobicContact CD1-CE1 3.73Å; F67-F105 HydrophobicContact CD1-CE2 4.13Å; F67-F105 AromaticContact CD1-CZ 3.31Å; F67-F105 HydrophobicContact CD1-CZ 3.31Å; F67-F105 HydrophobicContact CE1-CE1 4.09Å; F67-F105 AromaticContact CE1-CZ 3.96Å; F67-F105 HydrophobicContact CE1-CZ 3.96Å; F67-F105 HydrophobicContact CG-CE2 4.18Å; F67-F105 AromaticContact CG-CZ 3.67Å; F67-F105 HydrophobicContact CG-CZ 3.67Å; F67-V107 HydrophobicContact CD1-CG2 4.07Å; F67-V107 HydrophobicContact CE1-CG2 3.69Å; F67-T122 HydrophobicContact CE2-CG2 3.93Å; F67-T122 HydrophobicContact CZ-CG2 3.97Å; F67-Q125 HydrophobicContact CE1-CB 3.8Å; F67-Q125 HydrophobicContact CZ-CB 3.91Å; F67-F126 HydrophobicContact CE1-CD2 4.34Å; F67-F126 HydrophobicContact CE1-CE2 4.36Å; F67-F126 HydrophobicContact CE2-CE2 4.35Å; F67-F126 AromaticContact CZ-CD2 3.92Å; F67-F126 HydrophobicContact CZ-CD2 3.92Å; F67-F126 AromaticContact CZ-CE2 3.86Å; F67-F126 HydrophobicContact CZ-CE2 3.86Å |
| 68 | G | 94.8 | Very high | 82 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -179.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R106 | G68-R106 PolarHBondContact N-O 3.36Å; G68-R106 PolarHBondContact O-N 3.31Å |
| 69 | L | 96.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.6 | 173.4 | -66.7 | 172.7 | 0 | 0 | 0 | 110.2 | V30 L51 L52 T55 L85 F103 W104 F105 | V30-L69 HydrophobicContact CG1-CD2 3.57Å; V30-L69 HydrophobicContact CG2-CD1 4.44Å; V30-L69 HydrophobicContact CG2-CD2 4.23Å; L51-L69 HydrophobicContact CB-CD1 4.39Å; L51-L69 HydrophobicContact CD2-CD1 3.76Å; L51-L69 HydrophobicContact CG-CD1 3.68Å; L52-L69 HydrophobicContact CD2-CB 4.26Å; L52-L69 HydrophobicContact CD2-CD1 4.09Å; L52-L69 HydrophobicContact CD2-CG 3.79Å; L52-L69 HydrophobicContact CG-CD1 4.23Å; L52-L69 HydrophobicContact CG-CG 4.45Å; T55-L69 HydrophobicContact CG2-CD2 4.37Å; L69-L85 HydrophobicContact CB-CB 4.08Å; L69-L85 HydrophobicContact CB-CD2 4.06Å; L69-L85 HydrophobicContact CD1-CD2 3.86Å; L69-L85 WeakPolarHBondContact O-CB 3.15Å; L69-L85 PolarHBondContact O-N 3.44Å; L69-F103 HydrophobicContact CB-CB 4.35Å; L69-F103 HydrophobicContact CB-CD1 4.49Å; L69-F103 HydrophobicContact CD2-CB 4.16Å; L69-W104 WeakPolarHBondContact CA-O 3.05Å; L69-F105 HydrophobicContact CD2-CB 4.24Å |
| 70 | V | 93.5 | Very high | 80 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 157.8 | 164.9 | -61.4 | 0 | 0 | 0 | 0 | 111 | I82 K83 W84 F103 W104 R106 | V70-I82 HydrophobicContact CB-CG2 3.73Å; V70-I82 HydrophobicContact CG1-CG2 4.06Å; V70-I82 HydrophobicContact CG2-CG2 3.95Å; V70-K83 CarbonylContact C-O 3.57Å; V70-K83 VanDerWaalsContact CA-O 3.26Å; V70-K83 WeakPolarHBondContact CA-O 3.31Å; V70-W84 HydrophobicContact CG1-CD2 3.61Å; V70-W84 HydrophobicContact CG1-CE3 3.35Å; V70-W84 HydrophobicContact CG1-CG 4.3Å; V70-W84 HydrophobicContact CG1-CH2 3.94Å; V70-W84 HydrophobicContact CG1-CZ2 4.18Å; V70-W84 HydrophobicContact CG1-CZ3 3.53Å; V70-F103 CarbonylContact O-C 3.6Å; V70-F103 WeakPolarHBondContact O-CA 3.46Å; V70-W104 HydrophobicContact CG2-CB 3.87Å; V70-W104 PolarHBondContact N-O 2.71Å; V70-W104 PolarHBondContact O-N 2.63Å; V70-R106 HydrophobicContact CG2-CG 3.98Å |
| 71 | Y | 92.1 | Very high | 79.7 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.5 | 169.4 | 60.5 | -79.7 | 0 | 0 | 0 | 110.8 | F73 K83 L85 Q94 C95 F103 | Y71-F73 HydrophobicContact CE2-CB 4.31Å; Y71-F73 HydrophobicContact CE2-CD2 4.44Å; Y71-K83 WeakPolarHBondContact CD1-O 3.42Å; Y71-K83 HydrophobicContact CE1-CB 4.32Å; Y71-K83 HydrophobicContact CE1-CD 4.49Å; Y71-K83 HydrophobicContact CE1-CG 4.19Å; Y71-K83 HydrophobicContact CE2-CB 4.41Å; Y71-K83 HydrophobicContact CE2-CD 4.34Å; Y71-K83 PolarHBondContact N-O 2.97Å; Y71-K83 PolarHBondContact O-N 3.03Å; Y71-K83 VanDerWaalsContact OH-CD 3.26Å; Y71-K83 WeakPolarHBondContact OH-CD 3.38Å; Y71-K83 WeakPolarHBondContact OH-CE 3.45Å; Y71-K83 PolarHBondContact OH-NZ 2.94Å; Y71-L85 HydrophobicContact CE1-CD1 4.36Å; Y71-Q94 WeakPolarHBondContact OH-CB 3.24Å; Y71-Q94 PolarHBondContact OH-O 2.99Å; Y71-C95 VanDerWaalsContact CD2-SG 3.59Å; Y71-F103 HydrophobicContact CD1-CD1 4.25Å; Y71-F103 HydrophobicContact CD1-CE1 4.05Å; Y71-F103 HydrophobicContact CG-CD1 4.4Å; Y71-F103 HydrophobicContact CG-CE1 4.21Å |
| 72 | T | 85.5 | Confident | 79.7 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129.9 | 171 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | W104 P836 | T72-W104 HydrophobicContact CG2-CH2 4.05Å; T72-W104 HydrophobicContact CG2-CZ3 4.16Å; T72-P836 HydrophobicContact CG2-CG 4.26Å |
| 73 | F | 78.9 | Confident | 80.1 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 108.7 | 177.2 | 179.8 | -104.3 | 0 | 0 | 0 | 109.2 | Y71 Q75 L81 | Y71-F73 HydrophobicContact CE2-CB 4.31Å; Y71-F73 HydrophobicContact CE2-CD2 4.44Å; F73-Q75 HydrophobicContact CD1-CB 4.29Å; F73-Q75 HydrophobicContact CE1-CB 3.95Å; F73-Q75 PolarHBondContact O-N 3.37Å; F73-L81 PolarHBondContact N-O 2.8Å; F73-L81 PolarHBondContact O-N 2.98Å |
| 74 | H | 68.3 | Low | 80.4 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.4 | 174.8 | -66.4 | -88.5 | 0 | 0 | 0 | 109.7 | N80 N833 | H74-N80 PolarHBondContact CE1-OD1 2.99Å; H74-N80 PolarHBondContact ND1-OD1 3.34Å; H74-N80 VanDerWaalsContact ND1-OD1 3.07Å; H74-N833 PolarHBondContact CE1-OD1 2.68Å; H74-N833 VanDerWaalsContact CE1-OD1 3.26Å; H74-N833 PolarHBondContact NE2-OD1 3.31Å |
| 75 | Q | 64.7 | Low | 80.5 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.1 | 169 | -173.1 | 163.9 | -12.8 | 0 | 0 | 110 | F73 S77 E78 G79 | F73-Q75 HydrophobicContact CD1-CB 4.29Å; F73-Q75 HydrophobicContact CE1-CB 3.95Å; F73-Q75 PolarHBondContact O-N 3.37Å; Q75-S77 PolarHBondContact O-N 2.9Å; Q75-E78 PolarHBondContact O-N 3Å; Q75-E78 VanDerWaalsContact O-N 3.13Å; Q75-G79 PolarHBondContact N-O 3.41Å; Q75-G79 PolarHBondContact O-N 2.84Å |
| 76 | T | 53.6 | Low | 80.7 | Confident | 160 Ų | 160 | 46 Ų | 46 | 98% | 0.982 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -1.1 | -164.9 | 47.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 77 | S | 58.9 | Low | 80.6 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 61% | 0.608 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | -10.3 | -179.1 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | Q75 | Q75-S77 PolarHBondContact O-N 2.9Š|
| 78 | E | 56.5 | Low | 80.3 | Confident | 72 Ų | 72 | 47 Ų | 47 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 3.3 | -161.9 | -74.7 | 169.4 | -148 | 0 | 0 | 114.5 | Q75 S310 | Q75-E78 PolarHBondContact O-N 3Å; Q75-E78 VanDerWaalsContact O-N 3.13Å; E78-S310 VanDerWaalsContact CD-OG 3.27Å; E78-S310 WeakPolarHBondContact OE1-CB 3.1Å; E78-S310 PolarHBondContact OE1-OG 2.98Å; E78-S310 WeakPolarHBondContact OE2-CB 3.37Å; E78-S310 PolarHBondContact OE2-OG 2.84Å |
| 79 | G | 63.7 | Low | 80 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.9 | -148.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q75 | Q75-G79 PolarHBondContact N-O 3.41Å; Q75-G79 PolarHBondContact O-N 2.84Å |
| 80 | N | 69.5 | Low | 79.8 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 99.3 | -167.3 | -62.3 | -3.8 | 0 | 0 | 0 | 110.8 | H74 | H74-N80 PolarHBondContact CE1-OD1 2.99Å; H74-N80 PolarHBondContact ND1-OD1 3.34Å; H74-N80 VanDerWaalsContact ND1-OD1 3.07Å |
| 81 | L | 78 | Confident | 79.6 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 135.4 | 177.2 | -64.9 | 176.8 | 0 | 0 | 0 | 111.2 | F73 V312 L316 | F73-L81 PolarHBondContact N-O 2.8Å; F73-L81 PolarHBondContact O-N 2.98Å; L81-V312 HydrophobicContact CD1-CB 4.41Å; L81-V312 HydrophobicContact CD1-CG1 3.9Å; L81-L316 HydrophobicContact CB-CD1 4.4Å; L81-L316 HydrophobicContact CD1-CD1 4.33Å |
| 82 | I | 84.1 | Confident | 79.4 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.4 | 175.5 | -61.2 | 177.5 | 0 | 0 | 0 | 110.3 | V70 F837 | V70-I82 HydrophobicContact CB-CG2 3.73Å; V70-I82 HydrophobicContact CG1-CG2 4.06Å; V70-I82 HydrophobicContact CG2-CG2 3.95Å; I82-F837 HydrophobicContact CD1-CE2 3.97Å |
| 83 | K | 89.9 | Confident | 79.6 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.4 | -176.4 | -178.3 | 173.3 | 167.2 | -151.4 | 0 | 111.5 | V70 Y71 L316 | V70-K83 CarbonylContact C-O 3.57Å; V70-K83 VanDerWaalsContact CA-O 3.26Å; V70-K83 WeakPolarHBondContact CA-O 3.31Å; Y71-K83 WeakPolarHBondContact CD1-O 3.42Å; Y71-K83 HydrophobicContact CE1-CB 4.32Å; Y71-K83 HydrophobicContact CE1-CD 4.49Å; Y71-K83 HydrophobicContact CE1-CG 4.19Å; Y71-K83 HydrophobicContact CE2-CB 4.41Å; Y71-K83 HydrophobicContact CE2-CD 4.34Å; Y71-K83 PolarHBondContact N-O 2.97Å; Y71-K83 PolarHBondContact O-N 3.03Å; Y71-K83 VanDerWaalsContact OH-CD 3.26Å; Y71-K83 WeakPolarHBondContact OH-CD 3.38Å; Y71-K83 WeakPolarHBondContact OH-CE 3.45Å; Y71-K83 PolarHBondContact OH-NZ 2.94Å; K83-L316 HydrophobicContact CB-CD2 4.44Å; K83-L316 HydrophobicContact CD-CD2 4.03Å; K83-L316 HydrophobicContact CG-CD2 3.88Å |
| 84 | W | 92.6 | Very high | 80 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 16% | 0.159 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.3 | 170.9 | -70.5 | 111.9 | 0 | 0 | 0 | 110.7 | V70 D86 R106 V107 K108 Y320 | V70-W84 HydrophobicContact CG1-CD2 3.61Å; V70-W84 HydrophobicContact CG1-CE3 3.35Å; V70-W84 HydrophobicContact CG1-CG 4.3Å; V70-W84 HydrophobicContact CG1-CH2 3.94Å; V70-W84 HydrophobicContact CG1-CZ2 4.18Å; V70-W84 HydrophobicContact CG1-CZ3 3.53Å; W84-D86 PolarHBondContact O-N 3.4Å; W84-R106 HydrophobicContact CH2-CB 3.84Å; W84-R106 HydrophobicContact CZ3-CB 4.14Å; W84-V107 WeakPolarHBondContact CH2-O 3.15Å; W84-K108 HydrophobicContact CD2-CD 4.1Å; W84-K108 HydrophobicContact CD2-CG 4.18Å; W84-K108 HydrophobicContact CE3-CD 4Å; W84-K108 HydrophobicContact CE3-CG 4.23Å; W84-K108 HydrophobicContact CH2-CB 3.54Å; W84-K108 HydrophobicContact CH2-CD 4.43Å; W84-K108 HydrophobicContact CH2-CG 3.83Å; W84-K108 HydrophobicContact CZ2-CB 3.88Å; W84-K108 HydrophobicContact CZ2-CD 4.49Å; W84-K108 HydrophobicContact CZ2-CG 3.71Å; W84-K108 HydrophobicContact CZ3-CB 3.87Å; W84-K108 HydrophobicContact CZ3-CD 4.17Å; W84-K108 HydrophobicContact CZ3-CG 4.07Å; W84-Y320 AromaticContact CD1-CD2 3.9Å; W84-Y320 HydrophobicContact CZ2-CE2 4.35Å; W84-Y320 AromaticContact NE1-CD2 3.34Å; W84-Y320 VanDerWaalsContact NE1-CD2 3.34Å; W84-Y320 AromaticContact NE1-CE2 3.44Å |
| 85 | L | 94 | Very high | 80.8 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 123.7 | 166.8 | -172.7 | 65.6 | 0 | 0 | 0 | 109.4 | L51 L69 Y71 P87 F103 | L51-L85 HydrophobicContact CD2-CD2 4.32Å; L69-L85 HydrophobicContact CB-CB 4.08Å; L69-L85 HydrophobicContact CB-CD2 4.06Å; L69-L85 HydrophobicContact CD1-CD2 3.86Å; L69-L85 WeakPolarHBondContact O-CB 3.15Å; L69-L85 PolarHBondContact O-N 3.44Å; Y71-L85 HydrophobicContact CE1-CD1 4.36Å; L85-P87 WeakPolarHBondContact O-CD 3.43Å; L85-F103 HydrophobicContact CD1-CE1 4.03Å; L85-F103 HydrophobicContact CD2-CE1 4.41Å |
| 86 | D | 91.3 | Very high | 81.2 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 117.3 | 170.5 | -178.6 | -10.7 | 0 | 0 | 0 | 108.3 | W84 T88 R89 Q94 | W84-D86 PolarHBondContact O-N 3.4Å; D86-T88 VanDerWaalsContact CG-OG1 3.28Å; D86-T88 PolarHBondContact O-N 3.22Å; D86-T88 WeakPolarHBondContact OD1-CB 3.16Å; D86-T88 PolarHBondContact OD1-N 2.86Å; D86-T88 PolarHBondContact OD1-OG1 3.47Å; D86-T88 PolarHBondContact OD2-OG1 2.9Å; D86-R89 HydrophobicContact CB-CB 4.3Å; D86-R89 HydrophobicContact CB-CG 4.4Å; D86-R89 PolarHBondContact O-N 3.28Å; D86-R89 WeakPolarHBondContact OD2-CD 3.2Å; D86-R89 WeakPolarHBondContact OD2-CG 3.35Å; D86-R89 IonicContact OD2-NE 3.21Å; D86-R89 PolarHBondContact OD2-NE 2.74Å; D86-Q94 PolarHBondContact O-NE2 3.28Å |
| 87 | P | 91.1 | Very high | 81.8 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -29.3 | -177.5 | -18.1 | 30.1 | 0 | 0 | 0 | 112.7 | G48 Q49 L52 L85 R89 | G48-P87 PolarHBondContact N-O 3.41Å; Q49-P87 HydrophobicContact CB-CB 3.88Å; Q49-P87 PolarHBondContact N-O 3.06Å; L52-P87 HydrophobicContact CD1-CB 3.9Å; L52-P87 HydrophobicContact CD1-CG 3.66Å; L85-P87 WeakPolarHBondContact O-CD 3.43Å; P87-R89 VanDerWaalsContact C-N 3.34Å; P87-R89 PolarHBondContact O-N 3.38Å |
| 88 | T | 88.2 | Confident | 81.8 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.6 | -173.5 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | D86 Y670 R674 | D86-T88 VanDerWaalsContact CG-OG1 3.28Å; D86-T88 PolarHBondContact O-N 3.22Å; D86-T88 WeakPolarHBondContact OD1-CB 3.16Å; D86-T88 PolarHBondContact OD1-N 2.86Å; D86-T88 PolarHBondContact OD1-OG1 3.47Å; D86-T88 PolarHBondContact OD2-OG1 2.9Å; T88-Y670 HydrophobicContact CG2-CD2 4.39Å; T88-Y670 HydrophobicContact CG2-CE2 4.04Å; T88-R674 HydrophobicContact CG2-CG 4.37Å |
| 89 | R | 90.2 | Very high | 82.2 | Confident | 134 Ų | 134 | 70.4 Ų | 70.4 | 51% | 0.506 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -105.3 | 142.2 | -173.3 | -69.2 | -179.2 | -178.8 | -125.8 | -7.6 | 112 | G48 D86 P87 Q94 | G48-R89 PolarHBondContact N-O 3.36Å; D86-R89 HydrophobicContact CB-CB 4.3Å; D86-R89 HydrophobicContact CB-CG 4.4Å; D86-R89 PolarHBondContact O-N 3.28Å; D86-R89 WeakPolarHBondContact OD2-CD 3.2Å; D86-R89 WeakPolarHBondContact OD2-CG 3.35Å; D86-R89 IonicContact OD2-NE 3.21Å; D86-R89 PolarHBondContact OD2-NE 2.74Å; P87-R89 VanDerWaalsContact C-N 3.34Å; P87-R89 PolarHBondContact O-N 3.38Å; R89-Q94 HydrophobicContact CB-CG 3.87Å; R89-Q94 PolarHBondContact O-NE2 3.2Å |
| 90 | K | 91 | Very high | 82.8 | Confident | 107 Ų | 107 | 73.6 Ų | 73.6 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -58 | 139.2 | 175.2 | -63.9 | -168.1 | 174.2 | -133 | 0 | 111.9 | G45 C46 R92 K93 | G45-K90 WeakPolarHBondContact O-CD 3.43Å; G45-K90 WeakPolarHBondContact O-CE 3.43Å; G45-K90 WeakPolarHBondContact O-CG 3.44Å; G45-K90 PolarHBondContact O-NZ 2.97Å; C46-K90 CarbonylContact O-C 3.49Å; C46-K90 WeakPolarHBondContact O-CA 3.31Å; K90-R92 PolarHBondContact O-N 3.46Å; K90-K93 HydrophobicContact CB-CB 4.48Å; K90-K93 HydrophobicContact CB-CG 4.33Å; K90-K93 WeakPolarHBondContact O-CA 3.42Å; K90-K93 WeakPolarHBondContact O-CB 3.47Å; K90-K93 PolarHBondContact O-N 3.01Å |
| 91 | I | 90.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -57.7 | -46 | -173.4 | -60.4 | -172.9 | 0 | 0 | 0 | 111.6 | I26 C46 L51 K93 Q94 C95 F101 F103 | I26-I91 HydrophobicContact CD1-CB 4.5Å; I26-I91 HydrophobicContact CD1-CG2 4.47Å; C46-I91 PolarHBondContact O-N 2.87Å; C46-I91 VanDerWaalsContact O-N 3.09Å; C46-I91 VanDerWaalsContact SG-CD1 3.55Å; L51-I91 HydrophobicContact CB-CD1 3.88Å; L51-I91 HydrophobicContact CD2-CD1 3.85Å; L51-I91 HydrophobicContact CG-CD1 4.48Å; I91-K93 PolarHBondContact O-N 2.77Å; I91-K93 VanDerWaalsContact O-N 3.15Å; I91-Q94 WeakPolarHBondContact O-CA 3.42Å; I91-Q94 WeakPolarHBondContact O-CB 3.06Å; I91-Q94 PolarHBondContact O-N 3.1Å; I91-C95 PolarHBondContact O-N 3.07Å; I91-F101 HydrophobicContact CG2-CD2 4.22Å; I91-F103 HydrophobicContact CG2-CZ 3.84Å |
| 92 | R | 87.7 | Confident | 84.3 | Confident | 146 Ų | 146 | 71.4 Ų | 71.4 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -64.9 | -14.2 | 175.8 | -64.6 | -175.4 | 69.6 | -153.6 | 2.2 | 115.1 | I26 R44 K90 Q94 F101 | I26-R92 HydrophobicContact CD1-CG 4.34Å; R44-R92 WeakPolarHBondContact O-CD 3.3Å; K90-R92 PolarHBondContact O-N 3.46Å; R92-Q94 VanDerWaalsContact C-N 3.33Å; R92-F101 HydrophobicContact CG-CE2 4.37Å; R92-F101 HydrophobicContact CG-CZ 4.41Å |
| 93 | K | 88 | Confident | 84.8 | Confident | 176 Ų | 176 | 67.8 Ų | 67.8 | 77% | 0.765 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -88.6 | -0.7 | 170.7 | -69.1 | -167.4 | 174.9 | -170.2 | 0 | 112.7 | K90 I91 | K90-K93 HydrophobicContact CB-CB 4.48Å; K90-K93 HydrophobicContact CB-CG 4.33Å; K90-K93 WeakPolarHBondContact O-CA 3.42Å; K90-K93 WeakPolarHBondContact O-CB 3.47Å; K90-K93 PolarHBondContact O-N 3.01Å; I91-K93 PolarHBondContact O-N 2.77Å; I91-K93 VanDerWaalsContact O-N 3.15Å |
| 94 | Q | 89.1 | Confident | 85 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -45.1 | -177.1 | -67.1 | -164.1 | 68.6 | 0 | 0 | 112.5 | Y71 D86 R89 I91 R92 | Y71-Q94 WeakPolarHBondContact OH-CB 3.24Å; Y71-Q94 PolarHBondContact OH-O 2.99Å; D86-Q94 PolarHBondContact O-NE2 3.28Å; R89-Q94 HydrophobicContact CB-CG 3.87Å; R89-Q94 PolarHBondContact O-NE2 3.2Å; I91-Q94 WeakPolarHBondContact O-CA 3.42Å; I91-Q94 WeakPolarHBondContact O-CB 3.06Å; I91-Q94 PolarHBondContact O-N 3.1Å; R92-Q94 VanDerWaalsContact C-N 3.33Å |
| 95 | C | 84.7 | Confident | 85.2 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 8% | 0.081 | 31% | 0.313 | C | S | . | . | trans | -106.4 | 131.1 | -178.8 | -51.6 | 0 | 0 | 0 | 0 | 109.4 | Y71 I91 F101 | Y71-C95 VanDerWaalsContact CD2-SG 3.59Å; I91-C95 PolarHBondContact O-N 3.07Å; C95-F101 HydrophobicContact CB-CD1 3.43Å; C95-F101 VanDerWaalsContact CB-CD1 3.43Å; C95-F101 HydrophobicContact CB-CE1 3.52Å; C95-F101 HydrophobicContact CB-CG 4.29Å; C95-F101 HydrophobicContact CB-CZ 4.42Å | ||
| 96 | K | 72.9 | Confident | 85.2 | Confident | 201 Ų | 201 | 65.5 Ų | 65.5 | 87% | 0.874 | 32% | 0.317 | S | S | * | . | trans | -94.7 | 130.5 | 171.6 | -66.5 | -173.7 | 177.8 | -174.5 | 0 | 109 | ||||
| 97 | G | 66.6 | Low | 85.5 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | trans | 157.9 | 158.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F101 | G97-F101 WeakPolarHBondContact O-CZ 3.31Š| ||
| 98 | E | 57.9 | Low | 85.6 | Confident | 195 Ų | 195 | 65 Ų | 65 | 91% | 0.911 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -99.9 | -19.9 | -163.7 | -63 | -171.6 | 140 | 0 | 0 | 115.3 | ||
| 99 | A | 64.2 | Low | 85.9 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -149.4 | -49.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | T27 | T27-A99 PolarHBondContact N-O 3.09Š|
| 100 | N | 77.3 | Confident | 86.1 | Confident | 106 Ų | 106 | 58.4 Ų | 58.4 | 57% | 0.567 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.6 | -169.8 | -62.4 | -19 | 0 | 0 | 0 | 110.7 | T27 | T27-N100 WeakPolarHBondContact O-CA 3.45Å |
| 101 | F | 87.9 | Confident | 86 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.5 | 178.3 | -61.7 | -70.4 | 0 | 0 | 0 | 110.5 | I26 T27 C28 N29 I91 R92 C95 G97 F103 | I26-F101 HydrophobicContact CB-CD2 4.46Å; I26-F101 HydrophobicContact CB-CE2 4.31Å; I26-F101 HydrophobicContact CD1-CD2 4.03Å; I26-F101 HydrophobicContact CD1-CE2 3.85Å; I26-F101 HydrophobicContact CG2-CE2 4.07Å; T27-F101 PolarHBondContact O-N 3.41Å; C28-F101 CarbonylContact C-O 3.54Å; C28-F101 WeakPolarHBondContact CA-O 3.5Å; N29-F101 PolarHBondContact N-O 3.21Å; I91-F101 HydrophobicContact CG2-CD2 4.22Å; R92-F101 HydrophobicContact CG-CE2 4.37Å; R92-F101 HydrophobicContact CG-CZ 4.41Å; C95-F101 HydrophobicContact CB-CD1 3.43Å; C95-F101 VanDerWaalsContact CB-CD1 3.43Å; C95-F101 HydrophobicContact CB-CE1 3.52Å; C95-F101 HydrophobicContact CB-CG 4.29Å; C95-F101 HydrophobicContact CB-CZ 4.42Å; G97-F101 WeakPolarHBondContact O-CZ 3.31Å; F101-F103 HydrophobicContact CB-CD2 4.42Å; F101-F103 HydrophobicContact CB-CE2 3.47Å; F101-F103 VanDerWaalsContact CB-CE2 3.47Å; F101-F103 HydrophobicContact CB-CZ 3.75Å |
| 102 | T | 90.4 | Very high | 85.9 | Confident | 53 Ų | 53 | 54.7 Ų | 54.7 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.7 | 177.5 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | N29 W104 | N29-T102 CarbonylContact O-C 3.51Å; N29-T102 WeakPolarHBondContact O-CA 3.39Å; T102-W104 HydrophobicContact CG2-CE3 4.39Å; T102-W104 HydrophobicContact CG2-CH2 3.68Å; T102-W104 HydrophobicContact CG2-CZ2 3.89Å; T102-W104 HydrophobicContact CG2-CZ3 3.95Å |
| 103 | F | 94.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 159.5 | 176.5 | -56.3 | -84.9 | 0 | 0 | 0 | 110.3 | C28 N29 V30 W31 L51 L69 V70 Y71 L85 I91 F101 | C28-F103 HydrophobicContact CB-CD2 4.12Å; C28-F103 HydrophobicContact CB-CE2 3.81Å; N29-F103 PolarHBondContact O-N 3.41Å; V30-F103 WeakPolarHBondContact CA-O 3.41Å; V30-F103 HydrophobicContact CG2-CB 4.25Å; W31-F103 PolarHBondContact N-O 3.03Å; L51-F103 HydrophobicContact CD2-CD2 3.57Å; L51-F103 HydrophobicContact CD2-CE1 4.5Å; L51-F103 HydrophobicContact CD2-CE2 3.49Å; L51-F103 VanDerWaalsContact CD2-CE2 3.49Å; L51-F103 HydrophobicContact CD2-CG 4.11Å; L51-F103 HydrophobicContact CD2-CZ 4Å; L69-F103 HydrophobicContact CB-CB 4.35Å; L69-F103 HydrophobicContact CB-CD1 4.49Å; L69-F103 HydrophobicContact CD2-CB 4.16Å; V70-F103 CarbonylContact O-C 3.6Å; V70-F103 WeakPolarHBondContact O-CA 3.46Å; Y71-F103 HydrophobicContact CD1-CD1 4.25Å; Y71-F103 HydrophobicContact CD1-CE1 4.05Å; Y71-F103 HydrophobicContact CG-CD1 4.4Å; Y71-F103 HydrophobicContact CG-CE1 4.21Å; L85-F103 HydrophobicContact CD1-CE1 4.03Å; L85-F103 HydrophobicContact CD2-CE1 4.41Å; I91-F103 HydrophobicContact CG2-CZ 3.84Å; F101-F103 HydrophobicContact CB-CD2 4.42Å; F101-F103 HydrophobicContact CB-CE2 3.47Å; F101-F103 VanDerWaalsContact CB-CE2 3.47Å; F101-F103 HydrophobicContact CB-CZ 3.75Å |
| 104 | W | 94.5 | Very high | 85.9 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.4 | 173.5 | -62 | -106.1 | 0 | 0 | 0 | 109.6 | W31 L69 V70 T72 T102 R106 D835 | W31-W104 HydrophobicContact CB-CG 4.09Å; W31-W104 AromaticContact CD1-NE1 3.97Å; W31-W104 AromaticContact CG-CD1 3.96Å; W31-W104 CarbonylContact O-C 3.54Å; W31-W104 WeakPolarHBondContact O-CA 3.4Å; L69-W104 WeakPolarHBondContact CA-O 3.05Å; V70-W104 HydrophobicContact CG2-CB 3.87Å; V70-W104 PolarHBondContact N-O 2.71Å; V70-W104 PolarHBondContact O-N 2.63Å; T72-W104 HydrophobicContact CG2-CH2 4.05Å; T72-W104 HydrophobicContact CG2-CZ3 4.16Å; T102-W104 HydrophobicContact CG2-CE3 4.39Å; T102-W104 HydrophobicContact CG2-CH2 3.68Å; T102-W104 HydrophobicContact CG2-CZ2 3.89Å; T102-W104 HydrophobicContact CG2-CZ3 3.95Å; W104-R106 VanDerWaalsContact CD1-NH2 3.34Å; W104-D835 HydrophobicContact CZ2-CB 4.47Å; W104-D835 PolarHBondContact NE1-OD2 3.08Å |
| 105 | F | 96.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.1 | 172.3 | -178.4 | -103.4 | 0 | 0 | 0 | 110.2 | V30 W31 L32 L33 T55 F56 L59 L61 F67 L69 | V30-F105 HydrophobicContact CG1-CB 4.35Å; W31-F105 PolarHBondContact O-N 3.13Å; L32-F105 HydrophobicContact CD2-CB 4.03Å; L32-F105 HydrophobicContact CD2-CG 4.37Å; L33-F105 HydrophobicContact CD1-CD1 3.82Å; L33-F105 HydrophobicContact CD1-CE1 3.92Å; L33-F105 HydrophobicContact CG-CD1 3.94Å; T55-F105 HydrophobicContact CG2-CD2 3.82Å; T55-F105 HydrophobicContact CG2-CE2 4.4Å; T55-F105 HydrophobicContact CG2-CG 4.46Å; F56-F105 HydrophobicContact CD1-CE2 4.11Å; F56-F105 AromaticContact CE1-CE2 3.94Å; F56-F105 HydrophobicContact CE1-CE2 3.94Å; L59-F105 HydrophobicContact CD1-CD1 4.03Å; L59-F105 HydrophobicContact CD1-CD2 4.03Å; L59-F105 HydrophobicContact CD1-CE1 3.69Å; L59-F105 HydrophobicContact CD1-CE2 3.66Å; L59-F105 HydrophobicContact CD1-CG 4.21Å; L59-F105 HydrophobicContact CD1-CZ 3.49Å; L59-F105 VanDerWaalsContact CD1-CZ 3.49Å; L61-F105 HydrophobicContact CD2-CE2 4.27Å; L61-F105 HydrophobicContact CD2-CZ 3.72Å; F67-F105 HydrophobicContact CB-CE2 3.82Å; F67-F105 HydrophobicContact CB-CZ 3.85Å; F67-F105 AromaticContact CD1-CE1 3.73Å; F67-F105 HydrophobicContact CD1-CE1 3.73Å; F67-F105 HydrophobicContact CD1-CE2 4.13Å; F67-F105 AromaticContact CD1-CZ 3.31Å; F67-F105 HydrophobicContact CD1-CZ 3.31Å; F67-F105 HydrophobicContact CE1-CE1 4.09Å; F67-F105 AromaticContact CE1-CZ 3.96Å; F67-F105 HydrophobicContact CE1-CZ 3.96Å; F67-F105 HydrophobicContact CG-CE2 4.18Å; F67-F105 AromaticContact CG-CZ 3.67Å; F67-F105 HydrophobicContact CG-CZ 3.67Å; L69-F105 HydrophobicContact CD2-CB 4.24Å |
| 106 | R | 95.5 | Very high | 85.6 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 11% | 0.106 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 152.9 | -174.2 | -64.1 | -65.3 | 178.8 | -103.5 | 4.9 | 111.5 | G68 V70 W84 W104 Q129 K132 | G68-R106 PolarHBondContact N-O 3.36Å; G68-R106 PolarHBondContact O-N 3.31Å; V70-R106 HydrophobicContact CG2-CG 3.98Å; W84-R106 HydrophobicContact CH2-CB 3.84Å; W84-R106 HydrophobicContact CZ3-CB 4.14Å; W104-R106 VanDerWaalsContact CD1-NH2 3.34Å; R106-Q129 VanDerWaalsContact CA-OE1 3.22Å; R106-K132 VanDerWaalsContact NH2-CE 3.33Å |
| 107 | V | 96.1 | Very high | 86.2 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 131.8 | 163 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | F67 W84 Y110 F126 Q129 | F67-V107 HydrophobicContact CD1-CG2 4.07Å; F67-V107 HydrophobicContact CE1-CG2 3.69Å; W84-V107 WeakPolarHBondContact CH2-O 3.15Å; V107-Y110 HydrophobicContact CB-CE1 4.29Å; V107-Y110 HydrophobicContact CB-CE2 4.09Å; V107-Y110 HydrophobicContact CG1-CD1 4.18Å; V107-Y110 HydrophobicContact CG1-CD2 3.87Å; V107-Y110 HydrophobicContact CG1-CE1 4.22Å; V107-Y110 HydrophobicContact CG1-CE2 3.88Å; V107-Y110 HydrophobicContact CG1-CG 4Å; V107-F126 HydrophobicContact CG1-CD1 4.43Å; V107-F126 HydrophobicContact CG1-CD2 4.48Å; V107-F126 HydrophobicContact CG1-CE1 3.83Å; V107-F126 HydrophobicContact CG1-CE2 3.88Å; V107-F126 HydrophobicContact CG1-CZ 3.53Å; V107-F126 HydrophobicContact CG2-CD1 4.47Å; V107-F126 HydrophobicContact CG2-CD2 3.84Å; V107-F126 HydrophobicContact CG2-CE2 3.97Å; V107-F126 HydrophobicContact CG2-CG 4.11Å; V107-F126 HydrophobicContact CG2-CZ 4.37Å; V107-Q129 HydrophobicContact CB-CB 4.45Å; V107-Q129 HydrophobicContact CB-CG 3.9Å; V107-Q129 HydrophobicContact CG2-CB 3.71Å; V107-Q129 HydrophobicContact CG2-CG 3.71Å |
| 108 | K | 94.5 | Very high | 86.9 | Confident | 26 Ų | 26 | 41.6 Ų | 41.6 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -106.8 | -32.1 | -177.8 | -175 | 172.6 | -177.9 | 178.9 | 0 | 112.9 | F66 W84 Y320 | F66-K108 WeakPolarHBondContact O-CA 3.43Å; F66-K108 WeakPolarHBondContact O-CB 3.26Å; F66-K108 PolarHBondContact O-N 2.69Å; W84-K108 HydrophobicContact CD2-CD 4.1Å; W84-K108 HydrophobicContact CD2-CG 4.18Å; W84-K108 HydrophobicContact CE3-CD 4Å; W84-K108 HydrophobicContact CE3-CG 4.23Å; W84-K108 HydrophobicContact CH2-CB 3.54Å; W84-K108 HydrophobicContact CH2-CD 4.43Å; W84-K108 HydrophobicContact CH2-CG 3.83Å; W84-K108 HydrophobicContact CZ2-CB 3.88Å; W84-K108 HydrophobicContact CZ2-CD 4.49Å; W84-K108 HydrophobicContact CZ2-CG 3.71Å; W84-K108 HydrophobicContact CZ3-CB 3.87Å; W84-K108 HydrophobicContact CZ3-CD 4.17Å; W84-K108 HydrophobicContact CZ3-CG 4.07Å; K108-Y320 PolarHBondContact O-OH 3.41Å |
| 109 | F | 93.6 | Very high | 88.2 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -132.2 | 106 | 178.7 | -57.2 | -60.7 | 0 | 0 | 0 | 109.4 | F66 F327 F328 | F66-F109 PolarHBondContact O-N 2.87Å; F109-F327 HydrophobicContact CB-CD1 3.73Å; F109-F327 HydrophobicContact CB-CE1 3.57Å; F109-F327 HydrophobicContact CB-CE2 4.47Å; F109-F327 HydrophobicContact CB-CG 4.26Å; F109-F327 HydrophobicContact CB-CZ 3.97Å; F109-F327 HydrophobicContact CD1-CB 4.14Å; F109-F327 HydrophobicContact CD1-CD1 4.23Å; F109-F327 HydrophobicContact CD1-CG 4.1Å; F109-F327 HydrophobicContact CD2-CB 4.36Å; F109-F327 HydrophobicContact CD2-CD1 4.05Å; F109-F327 AromaticContact CD2-CD2 3.43Å; F109-F327 HydrophobicContact CD2-CD2 3.43Å; F109-F327 VanDerWaalsContact CD2-CD2 3.43Å; F109-F327 HydrophobicContact CD2-CE1 4.14Å; F109-F327 AromaticContact CD2-CE2 3.55Å; F109-F327 HydrophobicContact CD2-CE2 3.55Å; F109-F327 AromaticContact CD2-CG 3.7Å; F109-F327 HydrophobicContact CD2-CG 3.7Å; F109-F327 AromaticContact CD2-CZ 3.91Å; F109-F327 HydrophobicContact CD2-CZ 3.91Å; F109-F327 HydrophobicContact CE1-CB 4.06Å; F109-F327 HydrophobicContact CE1-CG 4.38Å; F109-F327 HydrophobicContact CE2-CB 4.27Å; F109-F327 AromaticContact CE2-CD2 3.59Å; F109-F327 HydrophobicContact CE2-CD2 3.59Å; F109-F327 HydrophobicContact CE2-CE2 4.05Å; F109-F327 AromaticContact CE2-CG 3.98Å; F109-F327 HydrophobicContact CE2-CG 3.98Å; F109-F327 HydrophobicContact CG-CB 4.29Å; F109-F327 AromaticContact CG-CD1 3.75Å; F109-F327 HydrophobicContact CG-CD1 3.75Å; F109-F327 AromaticContact CG-CD2 4Å; F109-F327 HydrophobicContact CG-CD2 4Å; F109-F327 AromaticContact CG-CE1 3.98Å; F109-F327 HydrophobicContact CG-CE1 3.98Å; F109-F327 HydrophobicContact CG-CE2 4.21Å; F109-F327 AromaticContact CG-CG 3.75Å; F109-F327 HydrophobicContact CG-CG 3.75Å; F109-F327 HydrophobicContact CG-CZ 4.2Å; F109-F327 HydrophobicContact CZ-CB 4.11Å; F109-F327 HydrophobicContact CZ-CD2 4.27Å; F109-F327 HydrophobicContact CZ-CG 4.31Å; F109-F328 HydrophobicContact CB-CE2 4.23Å; F109-F328 HydrophobicContact CB-CZ 3.99Å; F109-F328 HydrophobicContact CD1-CE2 4.24Å |
| 110 | Y | 93.9 | Very high | 89.2 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | trans | -81.3 | 133.1 | -178.6 | -66.2 | -111 | 0 | 0 | 0 | 110 | V107 F126 Q129 I130 D133 Y217 G218 F328 | V107-Y110 HydrophobicContact CB-CE1 4.29Å; V107-Y110 HydrophobicContact CB-CE2 4.09Å; V107-Y110 HydrophobicContact CG1-CD1 4.18Å; V107-Y110 HydrophobicContact CG1-CD2 3.87Å; V107-Y110 HydrophobicContact CG1-CE1 4.22Å; V107-Y110 HydrophobicContact CG1-CE2 3.88Å; V107-Y110 HydrophobicContact CG1-CG 4Å; Y110-F126 HydrophobicContact CD1-CE1 4.41Å; Y110-Q129 HydrophobicContact CE1-CG 4.06Å; Y110-Q129 WeakPolarHBondContact OH-CG 3.36Å; Y110-I130 HydrophobicContact CD1-CD1 4.2Å; Y110-I130 HydrophobicContact CE1-CD1 3.83Å; Y110-D133 PolarHBondContact OH-OD2 2.79Å; Y110-Y217 HydrophobicContact CD1-CE2 4.49Å; Y110-G218 VanDerWaalsContact CD2-CA 3.5Å; Y110-F328 WeakPolarHBondContact O-CZ 3.23Å | ||
| 111 | V | 90.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -78.9 | 144.9 | -179.3 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | F66 D113 L117 F126 Y217 | F66-V111 HydrophobicContact CD1-CG1 4.1Å; F66-V111 HydrophobicContact CE1-CG1 3.54Å; F66-V111 HydrophobicContact CZ-CG1 3.95Å; V111-D113 VanDerWaalsContact CG2-O 3.24Å; V111-D113 WeakPolarHBondContact CG2-O 3.38Å; V111-D113 PolarHBondContact O-N 2.95Å; V111-L117 HydrophobicContact CB-CD2 4.46Å; V111-L117 HydrophobicContact CG1-CD2 3.69Å; V111-L117 HydrophobicContact CG1-CG 4.42Å; V111-L117 HydrophobicContact CG2-CD1 4.01Å; V111-L117 HydrophobicContact CG2-CD2 3.91Å; V111-L117 HydrophobicContact CG2-CG 3.8Å; V111-F126 HydrophobicContact CG2-CE1 3.92Å; V111-F126 HydrophobicContact CG2-CZ 4.38Å; V111-Y217 VanDerWaalsContact O-CE1 3.32Å; V111-Y217 WeakPolarHBondContact O-CE1 3.37Å; V111-Y217 PolarHBondContact O-OH 2.76Å | ||
| 112 | P | 87.7 | Confident | 89.9 | Confident | 29 Ų | 29 | 30.4 Ų | 30.4 | 19% | 0.188 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -62.3 | -22.7 | 172.2 | -20 | 30 | 0 | 0 | 0 | 114.5 | W116 R212 F240 | P112-W116 HydrophobicContact CB-CH2 3.98Å; P112-W116 HydrophobicContact CB-CZ3 3.88Å; P112-W116 VanDerWaalsContact CD-CZ3 3.46Å; P112-W116 HydrophobicContact CG-CE3 4.18Å; P112-W116 HydrophobicContact CG-CH2 3.89Å; P112-W116 HydrophobicContact CG-CZ3 3.42Å; P112-W116 VanDerWaalsContact CG-CZ3 3.42Å; P112-R212 PolarHBondContact O-NE 3.01Å; P112-R212 PolarHBondContact O-NH2 2.9Å; P112-F240 HydrophobicContact CB-CD2 3.91Å; P112-F240 HydrophobicContact CB-CE1 4.36Å; P112-F240 HydrophobicContact CB-CE2 3.57Å; P112-F240 HydrophobicContact CB-CG 4.4Å; P112-F240 HydrophobicContact CB-CZ 3.85Å; P112-F240 HydrophobicContact CG-CB 4.26Å; P112-F240 HydrophobicContact CG-CD1 4.27Å; P112-F240 HydrophobicContact CG-CD2 3.48Å; P112-F240 VanDerWaalsContact CG-CD2 3.48Å; P112-F240 HydrophobicContact CG-CE2 3.72Å; P112-F240 HydrophobicContact CG-CG 3.76Å; P112-F240 HydrophobicContact CG-CZ 4.26Å |
| 113 | D | 87 | Confident | 90.1 | Very high | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.16 | 14% | 0.141 | C | C | . | . | trans | -141.6 | 120.9 | -176.2 | -159.1 | -46.8 | 0 | 0 | 0 | 110.3 | V111 V115 W116 R212 | V111-D113 VanDerWaalsContact CG2-O 3.24Å; V111-D113 WeakPolarHBondContact CG2-O 3.38Å; V111-D113 PolarHBondContact O-N 2.95Å; D113-V115 PolarHBondContact O-N 2.79Å; D113-V115 VanDerWaalsContact OD1-CB 3.31Å; D113-V115 WeakPolarHBondContact OD1-CB 3.47Å; D113-V115 WeakPolarHBondContact OD1-CG2 3.41Å; D113-V115 PolarHBondContact OD1-N 2.82Å; D113-W116 HydrophobicContact CB-CD2 3.71Å; D113-W116 HydrophobicContact CB-CE3 4.42Å; D113-W116 HydrophobicContact CB-CG 3.8Å; D113-W116 HydrophobicContact CB-CZ2 4.13Å; D113-W116 WeakPolarHBondContact O-CB 3.47Å; D113-W116 PolarHBondContact O-N 2.7Å; D113-W116 VanDerWaalsContact O-N 3.07Å; D113-R212 VanDerWaalsContact CB-NH2 3.31Å; D113-R212 IonicContact OD1-CZ 2.77Å; D113-R212 IonicContact OD1-NH1 2.81Å; D113-R212 PolarHBondContact OD1-NH1 2.8Å; D113-R212 VanDerWaalsContact OD1-NH1 3.09Å; D113-R212 IonicContact OD1-NH2 3.7Å; D113-R212 IonicContact OD2-CZ 2.82Å; D113-R212 IonicContact OD2-NH1 3.2Å; D113-R212 PolarHBondContact OD2-NH1 2.86Å; D113-R212 IonicContact OD2-NH2 2.72Å; D113-R212 PolarHBondContact OD2-NH2 2.88Å | ||
| 114 | P | 88.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -59.3 | -26.3 | 176.6 | -25.1 | 35.8 | 0 | 0 | 0 | 114 | W116 L117 L205 L208 | P114-W116 PolarHBondContact O-N 3.36Å; P114-L117 PolarHBondContact O-N 2.94Å; P114-L205 HydrophobicContact CB-CD1 3.81Å; P114-L208 HydrophobicContact CB-CB 3.69Å; P114-L208 HydrophobicContact CB-CD1 4.17Å; P114-L208 HydrophobicContact CG-CB 3.5Å |
| 115 | V | 82.8 | Confident | 90.1 | Very high | 88 Ų | 88 | 29.4 Ų | 29.4 | 53% | 0.533 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -69.9 | -12.9 | 178 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | D113 L117 L205 | D113-V115 PolarHBondContact O-N 2.79Å; D113-V115 VanDerWaalsContact OD1-CB 3.31Å; D113-V115 WeakPolarHBondContact OD1-CB 3.47Å; D113-V115 WeakPolarHBondContact OD1-CG2 3.41Å; D113-V115 PolarHBondContact OD1-N 2.82Å; V115-L117 VanDerWaalsContact C-N 3.35Å; V115-L205 HydrophobicContact CG2-CD1 4.24Å |
| 116 | W | 84.6 | Confident | 90 | Very high | 69 Ų | 69 | 29.4 Ų | 29.4 | 26% | 0.261 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -79.5 | -16.5 | 174.5 | -62.1 | -2.4 | 0 | 0 | 0 | 113.4 | P112 D113 P114 Q118 Y359 M362 | P112-W116 HydrophobicContact CB-CH2 3.98Å; P112-W116 HydrophobicContact CB-CZ3 3.88Å; P112-W116 VanDerWaalsContact CD-CZ3 3.46Å; P112-W116 HydrophobicContact CG-CE3 4.18Å; P112-W116 HydrophobicContact CG-CH2 3.89Å; P112-W116 HydrophobicContact CG-CZ3 3.42Å; P112-W116 VanDerWaalsContact CG-CZ3 3.42Å; D113-W116 HydrophobicContact CB-CD2 3.71Å; D113-W116 HydrophobicContact CB-CE3 4.42Å; D113-W116 HydrophobicContact CB-CG 3.8Å; D113-W116 HydrophobicContact CB-CZ2 4.13Å; D113-W116 WeakPolarHBondContact O-CB 3.47Å; D113-W116 PolarHBondContact O-N 2.7Å; D113-W116 VanDerWaalsContact O-N 3.07Å; P114-W116 PolarHBondContact O-N 3.36Å; W116-Q118 PolarHBondContact O-NE2 3.27Å; W116-Y359 AromaticContact CE3-CD1 3.61Å; W116-Y359 HydrophobicContact CE3-CD1 3.61Å; W116-Y359 AromaticContact CE3-CE1 3.46Å; W116-Y359 HydrophobicContact CE3-CE1 3.46Å; W116-Y359 VanDerWaalsContact CE3-CE1 3.46Å; W116-Y359 HydrophobicContact CH2-CD1 4.43Å; W116-Y359 AromaticContact CZ3-CD1 3.46Å; W116-Y359 HydrophobicContact CZ3-CD1 3.46Å; W116-Y359 VanDerWaalsContact CZ3-CD1 3.46Å; W116-Y359 AromaticContact CZ3-CE1 3.66Å; W116-Y359 HydrophobicContact CZ3-CE1 3.66Å; W116-Y359 HydrophobicContact CZ3-CG 4.34Å; W116-M362 HydrophobicContact CB-CE 3.68Å; W116-M362 HydrophobicContact CD2-CE 4.26Å; W116-M362 HydrophobicContact CG-CE 3.71Å |
| 117 | L | 85.6 | Confident | 90.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -79.5 | 117.8 | 171.1 | -54.9 | 173.2 | 0 | 0 | 0 | 108 | F66 V111 P114 V115 T122 R123 F126 | F66-L117 HydrophobicContact CD2-CD2 3.89Å; F66-L117 HydrophobicContact CE1-CD2 4.46Å; F66-L117 HydrophobicContact CE2-CD2 3.62Å; F66-L117 HydrophobicContact CG-CD2 4.43Å; F66-L117 HydrophobicContact CZ-CD2 3.94Å; V111-L117 HydrophobicContact CB-CD2 4.46Å; V111-L117 HydrophobicContact CG1-CD2 3.69Å; V111-L117 HydrophobicContact CG1-CG 4.42Å; V111-L117 HydrophobicContact CG2-CD1 4.01Å; V111-L117 HydrophobicContact CG2-CD2 3.91Å; V111-L117 HydrophobicContact CG2-CG 3.8Å; P114-L117 PolarHBondContact O-N 2.94Å; V115-L117 VanDerWaalsContact C-N 3.35Å; L117-T122 HydrophobicContact CB-CG2 4.11Å; L117-T122 HydrophobicContact CD1-CG2 4.21Å; L117-T122 HydrophobicContact CD2-CG2 3.84Å; L117-T122 HydrophobicContact CG-CG2 4.26Å; L117-R123 HydrophobicContact CB-CG 3.76Å; L117-R123 HydrophobicContact CD1-CG 4.09Å; L117-R123 PolarHBondContact O-NH1 2.81Å; L117-F126 HydrophobicContact CD1-CB 4.15Å; L117-F126 HydrophobicContact CD1-CD1 3.88Å; L117-F126 HydrophobicContact CD1-CD2 3.61Å; L117-F126 HydrophobicContact CD1-CE1 4.09Å; L117-F126 HydrophobicContact CD1-CE2 3.85Å; L117-F126 HydrophobicContact CD1-CG 3.62Å; L117-F126 HydrophobicContact CD1-CZ 4.08Å; L117-F126 HydrophobicContact CD2-CD2 4.48Å; L117-F126 HydrophobicContact CD2-CE2 3.9Å; L117-F126 HydrophobicContact CD2-CZ 3.96Å | ||
| 118 | Q | 81.7 | Confident | 90.1 | Very high | 124 Ų | 124 | 28.8 Ų | 28.8 | 58% | 0.579 | 14% | 0.137 | S | C | * | . | trans | -74.7 | -45.4 | -171.5 | -57.4 | -53.7 | -74.7 | 0 | 0 | 111.6 | E63 W116 R123 | E63-Q118 PolarHBondContact OE1-N 2.92Å; E63-Q118 PolarHBondContact OE2-N 2.81Å; W116-Q118 PolarHBondContact O-NE2 3.27Å; Q118-R123 VanDerWaalsContact C-NH1 3.35Å; Q118-R123 PolarHBondContact O-NH1 3.49Å | ||
| 119 | E | 84.3 | Confident | 90.1 | Very high | 73 Ų | 73 | 27.6 Ų | 27.6 | 34% | 0.341 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -82.9 | 137.6 | -175.3 | -61.9 | -60.6 | 150.1 | 0 | 0 | 112.3 | L62 E63 Y121 T122 R123 | L62-E119 HydrophobicContact CB-CG 4.36Å; L62-E119 HydrophobicContact CD1-CG 4.24Å; E63-E119 HydrophobicContact CG-CG 4.49Å; E63-E119 WeakPolarHBondContact OE2-CB 3.43Å; E63-E119 PolarHBondContact OE2-N 2.84Å; E119-Y121 PolarHBondContact O-N 3.02Å; E119-T122 WeakPolarHBondContact O-CB 3.27Å; E119-T122 PolarHBondContact O-N 3.24Å; E119-T122 VanDerWaalsContact O-N 3.13Å; E119-R123 PolarHBondContact O-N 2.88Å; E119-R123 VanDerWaalsContact O-N 3.14Å |
| 120 | E | 85.6 | Confident | 90.2 | Very high | 45 Ų | 45 | 26.8 Ų | 26.8 | 21% | 0.21 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55 | -43 | 171 | -178 | 174.2 | 117.4 | 0 | 0 | 111.2 | T122 R123 Y124 A201 T396 L397 S398 | E120-T122 VanDerWaalsContact C-N 3.32Å; E120-T122 PolarHBondContact O-N 2.76Å; E120-R123 VanDerWaalsContact CA-NH2 3.3Å; E120-R123 WeakPolarHBondContact O-CB 3.35Å; E120-R123 PolarHBondContact O-N 3.3Å; E120-R123 VanDerWaalsContact O-N 3.14Å; E120-Y124 PolarHBondContact O-N 3.38Å; E120-A201 HydrophobicContact CG-CB 3.74Å; E120-A201 VanDerWaalsContact OE2-CB 3.25Å; E120-A201 WeakPolarHBondContact OE2-CB 3.39Å; E120-T396 WeakPolarHBondContact OE1-CB 3.43Å; E120-L397 WeakPolarHBondContact OE1-CA 3.47Å; E120-L397 WeakPolarHBondContact OE1-CB 3.29Å; E120-L397 PolarHBondContact OE1-N 3.08Å; E120-S398 PolarHBondContact OE1-N 2.84Å |
| 121 | Y | 89 | Confident | 90.3 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.7 | -31 | 179.7 | -171.9 | -109.4 | 0 | 0 | 0 | 113.4 | L59 L61 E119 Y124 Q125 M401 R405 | L59-Y121 HydrophobicContact CB-CE1 4.39Å; L59-Y121 WeakPolarHBondContact CD2-OH 3.4Å; L59-Y121 WeakPolarHBondContact O-CE1 3.1Å; L61-Y121 HydrophobicContact CD1-CD1 4.12Å; L61-Y121 HydrophobicContact CD1-CE1 4.28Å; E119-Y121 PolarHBondContact O-N 3.02Å; Y121-Y124 HydrophobicContact CD2-CD1 4.03Å; Y121-Y124 AromaticContact CE2-CD1 3.91Å; Y121-Y124 HydrophobicContact CE2-CD1 3.91Å; Y121-Y124 HydrophobicContact CE2-CE1 4.14Å; Y121-Y124 PolarHBondContact O-N 3.31Å; Y121-Q125 HydrophobicContact CE1-CG 4.13Å; Y121-Q125 VanDerWaalsContact CZ-NE2 3.33Å; Y121-Q125 WeakPolarHBondContact O-CG 3.41Å; Y121-Q125 PolarHBondContact O-N 2.93Å; Y121-Q125 PolarHBondContact OH-NE2 3.23Å; Y121-M401 HydrophobicContact CD2-CB 3.59Å; Y121-M401 HydrophobicContact CD2-CG 3.94Å; Y121-M401 HydrophobicContact CE2-CB 3.49Å; Y121-M401 VanDerWaalsContact CE2-CB 3.49Å; Y121-M401 HydrophobicContact CE2-CG 4.25Å; Y121-M401 HydrophobicContact CG-CB 4.44Å; Y121-M401 HydrophobicContact CG-CG 4.36Å; Y121-R405 WeakPolarHBondContact OH-CD 3.45Å; Y121-R405 VanDerWaalsContact OH-CZ 3.23Å; Y121-R405 PolarHBondContact OH-NE 2.75Å; Y121-R405 PolarHBondContact OH-NH1 3.29Å |
| 122 | T | 91.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.5 | -43 | 171.7 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | E63 F66 F67 L117 E119 E120 Y124 Q125 F126 | E63-T122 HydrophobicContact CB-CG2 4.05Å; E63-T122 WeakPolarHBondContact OE2-CB 3.25Å; E63-T122 WeakPolarHBondContact OE2-CG2 3.33Å; E63-T122 PolarHBondContact OE2-OG1 3.34Å; F66-T122 HydrophobicContact CD2-CG2 4.43Å; F67-T122 HydrophobicContact CE2-CG2 3.93Å; F67-T122 HydrophobicContact CZ-CG2 3.97Å; L117-T122 HydrophobicContact CB-CG2 4.11Å; L117-T122 HydrophobicContact CD1-CG2 4.21Å; L117-T122 HydrophobicContact CD2-CG2 3.84Å; L117-T122 HydrophobicContact CG-CG2 4.26Å; E119-T122 WeakPolarHBondContact O-CB 3.27Å; E119-T122 PolarHBondContact O-N 3.24Å; E119-T122 VanDerWaalsContact O-N 3.13Å; E120-T122 VanDerWaalsContact C-N 3.32Å; E120-T122 PolarHBondContact O-N 2.76Å; T122-Y124 VanDerWaalsContact C-N 3.35Å; T122-Y124 PolarHBondContact O-N 2.94Å; T122-Q125 PolarHBondContact O-N 2.82Å; T122-F126 HydrophobicContact CG2-CD2 4.27Å; T122-F126 HydrophobicContact CG2-CE2 4.25Å; T122-F126 WeakPolarHBondContact O-CD2 3.3Å; T122-F126 PolarHBondContact O-N 3.17Å |
| 123 | R | 93.4 | Very high | 90.6 | Very high | 45 Ų | 45 | 27.8 Ų | 27.8 | 17% | 0.17 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 174.4 | -65.7 | -174.1 | -67.4 | -88.2 | 3.3 | 111.2 | L117 Q118 E119 E120 Q125 F126 F127 L208 | L117-R123 HydrophobicContact CB-CG 3.76Å; L117-R123 HydrophobicContact CD1-CG 4.09Å; L117-R123 PolarHBondContact O-NH1 2.81Å; Q118-R123 VanDerWaalsContact C-NH1 3.35Å; Q118-R123 PolarHBondContact O-NH1 3.49Å; E119-R123 PolarHBondContact O-N 2.88Å; E119-R123 VanDerWaalsContact O-N 3.14Å; E120-R123 VanDerWaalsContact CA-NH2 3.3Å; E120-R123 WeakPolarHBondContact O-CB 3.35Å; E120-R123 PolarHBondContact O-N 3.3Å; E120-R123 VanDerWaalsContact O-N 3.14Å; R123-Q125 PolarHBondContact O-N 3.35Å; R123-F126 CarbonylContact O-C 3.57Å; R123-F126 WeakPolarHBondContact O-CA 3.46Å; R123-F126 WeakPolarHBondContact O-CB 3.37Å; R123-F126 PolarHBondContact O-N 3.37Å; R123-F126 VanDerWaalsContact O-N 3.14Å; R123-F127 PolarHBondContact O-N 3.23Å; R123-L208 HydrophobicContact CB-CD1 4.17Å; R123-L208 WeakPolarHBondContact O-CD1 3.28Å |
| 124 | Y | 94 | Very high | 90.9 | Very high | 9 Ų | 9 | 27 Ų | 27 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 173.9 | 170.8 | -96.2 | 0 | 0 | 0 | 113.3 | E120 Y121 T122 F126 F127 L128 E204 S398 E402 R405 | E120-Y124 PolarHBondContact O-N 3.38Å; Y121-Y124 HydrophobicContact CD2-CD1 4.03Å; Y121-Y124 AromaticContact CE2-CD1 3.91Å; Y121-Y124 HydrophobicContact CE2-CD1 3.91Å; Y121-Y124 HydrophobicContact CE2-CE1 4.14Å; Y121-Y124 PolarHBondContact O-N 3.31Å; T122-Y124 VanDerWaalsContact C-N 3.35Å; T122-Y124 PolarHBondContact O-N 2.94Å; Y124-F126 VanDerWaalsContact C-N 3.29Å; Y124-F126 PolarHBondContact O-N 3.24Å; Y124-F127 HydrophobicContact CD2-CD1 4.15Å; Y124-F127 WeakPolarHBondContact O-CB 3.45Å; Y124-F127 PolarHBondContact O-N 3.31Å; Y124-F127 VanDerWaalsContact O-N 3.1Å; Y124-L128 HydrophobicContact CD1-CD1 4.17Å; Y124-L128 HydrophobicContact CD1-CG 4.47Å; Y124-L128 HydrophobicContact CE1-CD1 3.43Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.43Å; Y124-L128 HydrophobicContact CE1-CG 4.03Å; Y124-L128 HydrophobicContact CE2-CD1 4.4Å; Y124-L128 HydrophobicContact CE2-CD2 4.29Å; Y124-L128 HydrophobicContact CE2-CG 4.26Å; Y124-L128 PolarHBondContact O-N 2.76Å; Y124-E204 WeakPolarHBondContact CB-OE2 3.44Å; Y124-S398 WeakPolarHBondContact CB-OG 3.48Å; Y124-S398 VanDerWaalsContact CD2-CB 3.49Å; Y124-E402 PolarHBondContact OH-OE1 2.75Å; Y124-E402 PolarHBondContact OH-OE2 3.09Å; Y124-R405 PolarHBondContact OH-NH2 3.33Å |
| 125 | Q | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | 175 | -70.6 | -65 | -29.7 | 0 | 0 | 112.1 | L33 F67 Y121 T122 R123 Q129 | L33-Q125 WeakPolarHBondContact CD1-O 3.41Å; F67-Q125 HydrophobicContact CE1-CB 3.8Å; F67-Q125 HydrophobicContact CZ-CB 3.91Å; Y121-Q125 HydrophobicContact CE1-CG 4.13Å; Y121-Q125 VanDerWaalsContact CZ-NE2 3.33Å; Y121-Q125 WeakPolarHBondContact O-CG 3.41Å; Y121-Q125 PolarHBondContact O-N 2.93Å; Y121-Q125 PolarHBondContact OH-NE2 3.23Å; T122-Q125 PolarHBondContact O-N 2.82Å; R123-Q125 PolarHBondContact O-N 3.35Å; Q125-Q129 WeakPolarHBondContact O-CB 3.44Å; Q125-Q129 PolarHBondContact O-N 2.89Å |
| 126 | F | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 170.4 | -92.7 | -114.7 | 0 | 0 | 0 | 112.4 | F66 F67 V107 Y110 V111 L117 T122 R123 Y124 Q129 I130 L208 | F66-F126 HydrophobicContact CB-CE2 4.12Å; F66-F126 HydrophobicContact CB-CZ 4.27Å; F66-F126 HydrophobicContact CG-CE2 4.43Å; F66-F126 HydrophobicContact CG-CZ 4.42Å; F67-F126 HydrophobicContact CE1-CD2 4.34Å; F67-F126 HydrophobicContact CE1-CE2 4.36Å; F67-F126 HydrophobicContact CE2-CE2 4.35Å; F67-F126 AromaticContact CZ-CD2 3.92Å; F67-F126 HydrophobicContact CZ-CD2 3.92Å; F67-F126 AromaticContact CZ-CE2 3.86Å; F67-F126 HydrophobicContact CZ-CE2 3.86Å; V107-F126 HydrophobicContact CG1-CD1 4.43Å; V107-F126 HydrophobicContact CG1-CD2 4.48Å; V107-F126 HydrophobicContact CG1-CE1 3.83Å; V107-F126 HydrophobicContact CG1-CE2 3.88Å; V107-F126 HydrophobicContact CG1-CZ 3.53Å; V107-F126 HydrophobicContact CG2-CD1 4.47Å; V107-F126 HydrophobicContact CG2-CD2 3.84Å; V107-F126 HydrophobicContact CG2-CE2 3.97Å; V107-F126 HydrophobicContact CG2-CG 4.11Å; V107-F126 HydrophobicContact CG2-CZ 4.37Å; Y110-F126 HydrophobicContact CD1-CE1 4.41Å; V111-F126 HydrophobicContact CG2-CE1 3.92Å; V111-F126 HydrophobicContact CG2-CZ 4.38Å; L117-F126 HydrophobicContact CD1-CB 4.15Å; L117-F126 HydrophobicContact CD1-CD1 3.88Å; L117-F126 HydrophobicContact CD1-CD2 3.61Å; L117-F126 HydrophobicContact CD1-CE1 4.09Å; L117-F126 HydrophobicContact CD1-CE2 3.85Å; L117-F126 HydrophobicContact CD1-CG 3.62Å; L117-F126 HydrophobicContact CD1-CZ 4.08Å; L117-F126 HydrophobicContact CD2-CD2 4.48Å; L117-F126 HydrophobicContact CD2-CE2 3.9Å; L117-F126 HydrophobicContact CD2-CZ 3.96Å; T122-F126 HydrophobicContact CG2-CD2 4.27Å; T122-F126 HydrophobicContact CG2-CE2 4.25Å; T122-F126 WeakPolarHBondContact O-CD2 3.3Å; T122-F126 PolarHBondContact O-N 3.17Å; R123-F126 CarbonylContact O-C 3.57Å; R123-F126 WeakPolarHBondContact O-CA 3.46Å; R123-F126 WeakPolarHBondContact O-CB 3.37Å; R123-F126 PolarHBondContact O-N 3.37Å; R123-F126 VanDerWaalsContact O-N 3.14Å; Y124-F126 VanDerWaalsContact C-N 3.29Å; Y124-F126 PolarHBondContact O-N 3.24Å; F126-Q129 WeakPolarHBondContact O-CB 3.43Å; F126-Q129 PolarHBondContact O-N 2.99Å; F126-I130 VanDerWaalsContact O-CG1 3.3Å; F126-I130 WeakPolarHBondContact O-CG1 3.42Å; F126-I130 PolarHBondContact O-N 2.96Å; F126-L208 HydrophobicContact CB-CD1 3.99Å; F126-L208 HydrophobicContact CB-CD2 4.1Å |
| 127 | F | 96.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 176.1 | 156.7 | -98.3 | 0 | 0 | 0 | 111.9 | R123 Y124 Q129 I130 R131 A153 S156 E204 Y207 | R123-F127 PolarHBondContact O-N 3.23Å; Y124-F127 HydrophobicContact CD2-CD1 4.15Å; Y124-F127 WeakPolarHBondContact O-CB 3.45Å; Y124-F127 PolarHBondContact O-N 3.31Å; Y124-F127 VanDerWaalsContact O-N 3.1Å; F127-Q129 PolarHBondContact O-N 2.73Å; F127-I130 PolarHBondContact O-N 2.98Å; F127-R131 HydrophobicContact CD2-CG 4.49Å; F127-R131 HydrophobicContact CE2-CG 4.29Å; F127-R131 WeakPolarHBondContact O-CG 3.49Å; F127-R131 PolarHBondContact O-N 3.47Å; F127-A153 HydrophobicContact CE2-CB 4.11Å; F127-A153 HydrophobicContact CZ-CB 4.15Å; F127-S156 VanDerWaalsContact CZ-OG 3.24Å; F127-S156 WeakPolarHBondContact CZ-OG 3.41Å; F127-E204 HydrophobicContact CD1-CG 4.12Å; F127-E204 HydrophobicContact CD2-CG 4.4Å; F127-E204 HydrophobicContact CE1-CG 4.28Å; F127-E204 HydrophobicContact CG-CB 4.44Å; F127-E204 HydrophobicContact CG-CG 4.17Å; F127-E204 HydrophobicContact CZ-CG 4.48Å; F127-Y207 AromaticContact CD2-CD1 3.71Å; F127-Y207 HydrophobicContact CD2-CD1 3.71Å; F127-Y207 HydrophobicContact CD2-CD2 4.02Å; F127-Y207 HydrophobicContact CD2-CE1 4.1Å; F127-Y207 HydrophobicContact CD2-CE2 4.38Å; F127-Y207 AromaticContact CD2-CG 3.7Å; F127-Y207 HydrophobicContact CD2-CG 3.7Å; F127-Y207 HydrophobicContact CE2-CD1 4.31Å; F127-Y207 AromaticContact CE2-CD2 3.78Å; F127-Y207 HydrophobicContact CE2-CD2 3.78Å; F127-Y207 HydrophobicContact CE2-CE2 4.08Å; F127-Y207 AromaticContact CE2-CG 3.93Å; F127-Y207 HydrophobicContact CE2-CG 3.93Å |
| 128 | L | 95.6 | Very high | 91.4 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 173.8 | -67.4 | -176.7 | 0 | 0 | 0 | 112.1 | L33 D34 Y124 I130 R131 K132 | L33-L128 HydrophobicContact CB-CB 3.86Å; L33-L128 HydrophobicContact CB-CD1 4.07Å; D34-L128 HydrophobicContact CB-CD1 4.15Å; Y124-L128 HydrophobicContact CD1-CD1 4.17Å; Y124-L128 HydrophobicContact CD1-CG 4.47Å; Y124-L128 HydrophobicContact CE1-CD1 3.43Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.43Å; Y124-L128 HydrophobicContact CE1-CG 4.03Å; Y124-L128 HydrophobicContact CE2-CD1 4.4Å; Y124-L128 HydrophobicContact CE2-CD2 4.29Å; Y124-L128 HydrophobicContact CE2-CG 4.26Å; Y124-L128 PolarHBondContact O-N 2.76Å; L128-I130 PolarHBondContact O-N 3.07Å; L128-R131 PolarHBondContact O-N 2.88Å; L128-K132 PolarHBondContact O-N 3.16Å |
| 129 | Q | 96.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 176 | 178.6 | 67.8 | 82.6 | 0 | 0 | 111.8 | L33 R106 V107 Y110 Q125 F126 F127 K132 D133 | L33-Q129 HydrophobicContact CD1-CB 4.02Å; L33-Q129 HydrophobicContact CD2-CB 4.18Å; R106-Q129 VanDerWaalsContact CA-OE1 3.22Å; V107-Q129 HydrophobicContact CB-CB 4.45Å; V107-Q129 HydrophobicContact CB-CG 3.9Å; V107-Q129 HydrophobicContact CG2-CB 3.71Å; V107-Q129 HydrophobicContact CG2-CG 3.71Å; Y110-Q129 HydrophobicContact CE1-CG 4.06Å; Y110-Q129 WeakPolarHBondContact OH-CG 3.36Å; Q125-Q129 WeakPolarHBondContact O-CB 3.44Å; Q125-Q129 PolarHBondContact O-N 2.89Å; F126-Q129 WeakPolarHBondContact O-CB 3.43Å; F126-Q129 PolarHBondContact O-N 2.99Å; F127-Q129 PolarHBondContact O-N 2.73Å; Q129-K132 CarbonylContact O-C 3.53Å; Q129-K132 PolarHBondContact O-N 3.24Å; Q129-D133 PolarHBondContact NE2-OD1 3.46Å; Q129-D133 PolarHBondContact O-N 2.93Å; Q129-D133 VanDerWaalsContact O-OD1 3.12Å |
| 130 | I | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.6 | -40.2 | -178.8 | -65.8 | -69.9 | 0 | 0 | 0 | 111.5 | Y110 F126 F127 L128 K132 D133 I134 L139 Y207 L208 V211 Y217 | Y110-I130 HydrophobicContact CD1-CD1 4.2Å; Y110-I130 HydrophobicContact CE1-CD1 3.83Å; F126-I130 VanDerWaalsContact O-CG1 3.3Å; F126-I130 WeakPolarHBondContact O-CG1 3.42Å; F126-I130 PolarHBondContact O-N 2.96Å; F127-I130 PolarHBondContact O-N 2.98Å; L128-I130 PolarHBondContact O-N 3.07Å; I130-K132 VanDerWaalsContact C-N 3.27Å; I130-K132 PolarHBondContact O-N 3.49Å; I130-D133 PolarHBondContact O-N 2.81Å; I130-D133 VanDerWaalsContact O-N 3.07Å; I130-I134 HydrophobicContact CG2-CD1 4.09Å; I130-I134 WeakPolarHBondContact O-CG1 3.38Å; I130-I134 PolarHBondContact O-N 3.44Å; I130-L139 HydrophobicContact CD1-CD2 4.16Å; I130-L139 HydrophobicContact CG2-CD2 3.81Å; I130-Y207 HydrophobicContact CB-CE1 4.17Å; I130-Y207 HydrophobicContact CG2-CE1 3.66Å; I130-L208 HydrophobicContact CG1-CD2 4.04Å; I130-V211 HydrophobicContact CD1-CG2 4.38Å; I130-V211 HydrophobicContact CG1-CG2 4.21Å; I130-V211 HydrophobicContact CG2-CB 4.06Å; I130-V211 HydrophobicContact CG2-CG1 3.76Å; I130-V211 HydrophobicContact CG2-CG2 3.77Å; I130-Y217 HydrophobicContact CD1-CD2 3.84Å; I130-Y217 HydrophobicContact CD1-CE2 3.64Å; I130-Y217 HydrophobicContact CG1-CE2 4.31Å |
| 131 | R | 94.5 | Very high | 92.4 | Very high | 31 Ų | 31 | 22 Ų | 22 | 12% | 0.117 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.7 | -45.1 | 171.6 | -77.5 | 175.2 | 69.2 | -172.9 | 8.9 | 110.9 | F127 L128 I134 L135 E157 Y207 | F127-R131 HydrophobicContact CD2-CG 4.49Å; F127-R131 HydrophobicContact CE2-CG 4.29Å; F127-R131 WeakPolarHBondContact O-CG 3.49Å; F127-R131 PolarHBondContact O-N 3.47Å; L128-R131 PolarHBondContact O-N 2.88Å; R131-I134 PolarHBondContact O-N 2.86Å; R131-L135 WeakPolarHBondContact O-CB 3.4Å; R131-L135 WeakPolarHBondContact O-CG 3.28Å; R131-L135 PolarHBondContact O-N 3.38Å; R131-E157 IonicContact CZ-OE1 3.34Å; R131-E157 VanDerWaalsContact CZ-OE1 3.24Å; R131-E157 IonicContact CZ-OE2 3.85Å; R131-E157 IonicContact NH1-OE1 2.71Å; R131-E157 PolarHBondContact NH1-OE1 3.39Å; R131-E157 IonicContact NH1-OE2 2.7Å; R131-E157 PolarHBondContact NH1-OE2 2.97Å; R131-E157 IonicContact NH2-OE1 2.76Å; R131-E157 PolarHBondContact NH2-OE1 3.43Å; R131-E157 IonicContact NH2-OE2 2.85Å; R131-E157 PolarHBondContact NH2-OE2 2.87Å; R131-Y207 HydrophobicContact CG-CE1 4.24Å; R131-Y207 HydrophobicContact CG-CE2 4.12Å; R131-Y207 WeakPolarHBondContact CG-OH 3.44Å |
| 132 | K | 92 | Very high | 92.6 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 14% | 0.143 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 174.3 | -176.1 | 156.4 | -177.9 | 59.2 | 0 | 112.8 | R106 L128 Q129 I130 I134 L135 D136 | R106-K132 VanDerWaalsContact NH2-CE 3.33Å; L128-K132 PolarHBondContact O-N 3.16Å; Q129-K132 CarbonylContact O-C 3.53Å; Q129-K132 PolarHBondContact O-N 3.24Å; I130-K132 VanDerWaalsContact C-N 3.27Å; I130-K132 PolarHBondContact O-N 3.49Å; K132-I134 VanDerWaalsContact C-N 3.32Å; K132-I134 PolarHBondContact O-N 3.35Å; K132-L135 PolarHBondContact O-N 3.35Å; K132-D136 WeakPolarHBondContact CE-OD2 3.29Å; K132-D136 WeakPolarHBondContact CG-OD2 3.46Å; K132-D136 IonicContact NZ-OD1 2.85Å; K132-D136 PolarHBondContact NZ-OD1 2.84Å; K132-D136 IonicContact NZ-OD2 2.99Å; K132-D136 PolarHBondContact NZ-OD2 3.28Å; K132-D136 VanDerWaalsContact O-CB 3.22Å; K132-D136 WeakPolarHBondContact O-CB 3.19Å; K132-D136 PolarHBondContact O-N 3.13Å |
| 133 | D | 93.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -35.8 | 177.2 | -64.1 | -15.2 | 0 | 0 | 0 | 112.1 | Y110 Q129 I130 G137 R138 L139 | Y110-D133 PolarHBondContact OH-OD2 2.79Å; Q129-D133 PolarHBondContact NE2-OD1 3.46Å; Q129-D133 PolarHBondContact O-N 2.93Å; Q129-D133 VanDerWaalsContact O-OD1 3.12Å; I130-D133 PolarHBondContact O-N 2.81Å; I130-D133 VanDerWaalsContact O-N 3.07Å; D133-G137 PolarHBondContact O-N 2.82Å; D133-R138 CarbonylContact O-C 3.53Å; D133-R138 WeakPolarHBondContact O-CA 3.44Å; D133-R138 PolarHBondContact O-N 2.79Å; D133-R138 IonicContact OD1-CZ 3.82Å; D133-R138 IonicContact OD1-NH1 3.81Å; D133-R138 PolarHBondContact OD1-NH1 2.9Å; D133-R138 IonicContact OD1-NH2 3.29Å; D133-R138 PolarHBondContact OD1-NH2 3.29Å; D133-L139 HydrophobicContact CB-CB 3.92Å; D133-L139 PolarHBondContact O-N 2.89Å |
| 134 | I | 93.7 | Very high | 92.6 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.5 | -46.5 | 173.6 | -69.2 | 168.6 | 0 | 0 | 0 | 110.8 | I130 R131 K132 D136 G137 L139 V141 L149 F176 V177 V211 | I130-I134 HydrophobicContact CG2-CD1 4.09Å; I130-I134 WeakPolarHBondContact O-CG1 3.38Å; I130-I134 PolarHBondContact O-N 3.44Å; R131-I134 PolarHBondContact O-N 2.86Å; K132-I134 VanDerWaalsContact C-N 3.32Å; K132-I134 PolarHBondContact O-N 3.35Å; I134-D136 PolarHBondContact O-N 2.91Å; I134-G137 PolarHBondContact O-N 3.11Å; I134-L139 HydrophobicContact CD1-CD2 4.3Å; I134-L139 HydrophobicContact CG1-CB 4.03Å; I134-L139 HydrophobicContact CG1-CD2 3.98Å; I134-L139 HydrophobicContact CG1-CG 4.08Å; I134-V141 HydrophobicContact CD1-CG1 3.94Å; I134-V141 HydrophobicContact CG1-CG1 4.1Å; I134-V141 HydrophobicContact CG1-CG2 4.38Å; I134-V141 HydrophobicContact CG2-CG2 3.74Å; I134-L149 HydrophobicContact CD1-CD1 3.71Å; I134-F176 WeakPolarHBondContact CG2-O 3.41Å; I134-V177 HydrophobicContact CG2-CG1 4.39Å; I134-V211 HydrophobicContact CD1-CG1 4.44Å |
| 135 | L | 90.9 | Very high | 92.6 | Very high | 54 Ų | 54 | 32 Ų | 32 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 177.4 | -77.7 | 168.4 | 0 | 0 | 0 | 113.1 | R131 K132 G137 R175 Q178 | R131-L135 WeakPolarHBondContact O-CB 3.4Å; R131-L135 WeakPolarHBondContact O-CG 3.28Å; R131-L135 PolarHBondContact O-N 3.38Å; K132-L135 PolarHBondContact O-N 3.35Å; L135-G137 PolarHBondContact O-N 3.48Å; L135-R175 HydrophobicContact CD2-CB 4.09Å; L135-Q178 WeakPolarHBondContact O-CG 3.49Å; L135-Q178 PolarHBondContact O-NE2 2.84Å |
| 136 | D | 85.4 | Confident | 92.6 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -4.2 | 175.5 | -65.2 | -3.4 | 0 | 0 | 0 | 112.3 | K132 I134 R138 | K132-D136 WeakPolarHBondContact CE-OD2 3.29Å; K132-D136 WeakPolarHBondContact CG-OD2 3.46Å; K132-D136 IonicContact NZ-OD1 2.85Å; K132-D136 PolarHBondContact NZ-OD1 2.84Å; K132-D136 IonicContact NZ-OD2 2.99Å; K132-D136 PolarHBondContact NZ-OD2 3.28Å; K132-D136 VanDerWaalsContact O-CB 3.22Å; K132-D136 WeakPolarHBondContact O-CB 3.19Å; K132-D136 PolarHBondContact O-N 3.13Å; I134-D136 PolarHBondContact O-N 2.91Å; D136-R138 HydrophobicContact CB-CB 4.5Å; D136-R138 HydrophobicContact CB-CG 3.88Å; D136-R138 PolarHBondContact O-N 3.4Å; D136-R138 IonicContact OD2-CZ 3.7Å; D136-R138 VanDerWaalsContact OD2-CZ 3.26Å; D136-R138 IonicContact OD2-NE 3.05Å; D136-R138 PolarHBondContact OD2-NE 2.94Å; D136-R138 IonicContact OD2-NH2 3.28Å; D136-R138 PolarHBondContact OD2-NH2 2.81Å |
| 137 | G | 87.3 | Confident | 92.7 | Very high | 45 Ų | 45 | 32.3 Ų | 32.3 | 46% | 0.464 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 10.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | D133 I134 L135 | D133-G137 PolarHBondContact O-N 2.82Å; I134-G137 PolarHBondContact O-N 3.11Å; L135-G137 PolarHBondContact O-N 3.48Å |
| 138 | R | 87.2 | Confident | 92.7 | Very high | 88 Ų | 88 | 34.6 Ų | 34.6 | 33% | 0.332 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -79.5 | -21.7 | -178.6 | -63.7 | -172.5 | -72 | 96.8 | 4.4 | 112.8 | D133 D136 | D133-R138 CarbonylContact O-C 3.53Å; D133-R138 WeakPolarHBondContact O-CA 3.44Å; D133-R138 PolarHBondContact O-N 2.79Å; D133-R138 IonicContact OD1-CZ 3.82Å; D133-R138 IonicContact OD1-NH1 3.81Å; D133-R138 PolarHBondContact OD1-NH1 2.9Å; D133-R138 IonicContact OD1-NH2 3.29Å; D133-R138 PolarHBondContact OD1-NH2 3.29Å; D136-R138 HydrophobicContact CB-CB 4.5Å; D136-R138 HydrophobicContact CB-CG 3.88Å; D136-R138 PolarHBondContact O-N 3.4Å; D136-R138 IonicContact OD2-CZ 3.7Å; D136-R138 VanDerWaalsContact OD2-CZ 3.26Å; D136-R138 IonicContact OD2-NE 3.05Å; D136-R138 PolarHBondContact OD2-NE 2.94Å; D136-R138 IonicContact OD2-NH2 3.28Å; D136-R138 PolarHBondContact OD2-NH2 2.81Å |
| 139 | L | 91.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -118.2 | 97 | 169.2 | 178.6 | 56.4 | 0 | 0 | 0 | 110.1 | I130 D133 I134 V141 V211 L214 H216 | I130-L139 HydrophobicContact CD1-CD2 4.16Å; I130-L139 HydrophobicContact CG2-CD2 3.81Å; D133-L139 HydrophobicContact CB-CB 3.92Å; D133-L139 PolarHBondContact O-N 2.89Å; I134-L139 HydrophobicContact CD1-CD2 4.3Å; I134-L139 HydrophobicContact CG1-CB 4.03Å; I134-L139 HydrophobicContact CG1-CD2 3.98Å; I134-L139 HydrophobicContact CG1-CG 4.08Å; L139-V141 PolarHBondContact O-N 2.86Å; L139-V211 HydrophobicContact CD2-CB 4.41Å; L139-V211 HydrophobicContact CD2-CG1 4.46Å; L139-L214 HydrophobicContact CD1-CB 4.07Å; L139-L214 HydrophobicContact CD1-CD1 3.98Å; L139-L214 HydrophobicContact CD2-CD1 4.05Å; L139-L214 HydrophobicContact CG-CD1 4.09Å; L139-H216 HydrophobicContact CD1-CB 3.8Å |
| 140 | P | 90.6 | Very high | 92.8 | Very high | 44 Ų | 44 | 34 Ų | 34 | 29% | 0.286 | 19% | 0.19 | S | C | . | . | trans | -63.2 | 130.9 | 176.6 | -23.3 | 34.7 | 0 | 0 | 0 | 112.4 | ||||
| 141 | V | 91.6 | Very high | 92.9 | Very high | 40 Ų | 40 | 34 Ų | 34 | 24% | 0.242 | 19% | 0.19 | C | C | . | . | trans | -129.9 | 146.5 | 178.2 | -76.4 | 0 | 0 | 0 | 0 | 110.8 | I134 L139 I145 A146 L149 L214 | I134-V141 HydrophobicContact CD1-CG1 3.94Å; I134-V141 HydrophobicContact CG1-CG1 4.1Å; I134-V141 HydrophobicContact CG1-CG2 4.38Å; I134-V141 HydrophobicContact CG2-CG2 3.74Å; L139-V141 PolarHBondContact O-N 2.86Å; V141-I145 HydrophobicContact CG1-CG2 4.28Å; V141-A146 HydrophobicContact CB-CB 4.3Å; V141-A146 HydrophobicContact CG2-CB 3.76Å; V141-L149 HydrophobicContact CG1-CD1 4.25Å; V141-L214 HydrophobicContact CG1-CD1 3.65Å | ||
| 142 | S | 92.5 | Very high | 93 | Very high | 61 Ų | 61 | 32.8 Ų | 32.8 | 43% | 0.427 | 19% | 0.186 | S | C | . | . | trans | -74.3 | 154.6 | 171.6 | 74.5 | 0 | 0 | 0 | 0 | 110.5 | S144 I145 A146 | S142-S144 PolarHBondContact O-N 2.67Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S142-I145 PolarHBondContact O-N 2.8Å; S142-I145 VanDerWaalsContact O-N 3.07Å; S142-I145 WeakPolarHBondContact OG-CG1 3.21Å; S142-I145 PolarHBondContact OG-N 3.17Å; S142-A146 WeakPolarHBondContact O-CB 3.44Å; S142-A146 PolarHBondContact O-N 2.7Å | ||
| 143 | K | 91.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 31.2 Ų | 31.2 | 40% | 0.4 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -52.3 | -40 | 178.7 | -176 | 178.2 | 174.5 | -177.5 | 0 | 112.4 | A146 T147 D183 | K143-A146 PolarHBondContact O-N 3Å; K143-T147 WeakPolarHBondContact O-CG2 3.22Å; K143-T147 PolarHBondContact O-N 2.96Å; K143-T147 PolarHBondContact O-OG1 2.89Å; K143-D183 IonicContact NZ-OD2 2.89Å; K143-D183 PolarHBondContact NZ-OD2 2.96Å |
| 144 | S | 93.2 | Very high | 93.2 | Very high | 74 Ų | 74 | 30.9 Ų | 30.9 | 52% | 0.517 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.3 | -38 | 179.4 | -171.2 | 0 | 0 | 0 | 0 | 113.6 | S142 T147 Q148 | S142-S144 PolarHBondContact O-N 2.67Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S144-T147 PolarHBondContact O-OG1 3.05Å; S144-Q148 PolarHBondContact O-N 2.8Å |
| 145 | I | 95 | Very high | 93.2 | Very high | 46 Ų | 46 | 30.3 Ų | 30.3 | 24% | 0.236 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.3 | -40.1 | 176.4 | -67.1 | 173 | 0 | 0 | 0 | 109.3 | V141 S142 T147 Q148 L149 V210 L214 | V141-I145 HydrophobicContact CG1-CG2 4.28Å; S142-I145 PolarHBondContact O-N 2.8Å; S142-I145 VanDerWaalsContact O-N 3.07Å; S142-I145 WeakPolarHBondContact OG-CG1 3.21Å; S142-I145 PolarHBondContact OG-N 3.17Å; I145-T147 VanDerWaalsContact C-N 3.34Å; I145-T147 PolarHBondContact O-N 2.68Å; I145-Q148 WeakPolarHBondContact O-CB 3.4Å; I145-Q148 PolarHBondContact O-N 3.43Å; I145-L149 HydrophobicContact CG2-CD1 3.72Å; I145-L149 HydrophobicContact CG2-CG 4.14Å; I145-L149 WeakPolarHBondContact O-CB 3.33Å; I145-L149 VanDerWaalsContact O-CG 3.24Å; I145-L149 WeakPolarHBondContact O-CG 3.15Å; I145-L149 PolarHBondContact O-N 3.48Å; I145-V210 HydrophobicContact CG2-CG1 3.94Å; I145-L214 HydrophobicContact CD1-CD2 3.95Å |
| 146 | A | 95.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -36.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V141 S142 K143 A150 V177 F184 | V141-A146 HydrophobicContact CB-CB 4.3Å; V141-A146 HydrophobicContact CG2-CB 3.76Å; S142-A146 WeakPolarHBondContact O-CB 3.44Å; S142-A146 PolarHBondContact O-N 2.7Å; K143-A146 PolarHBondContact O-N 3Å; A146-A150 VanDerWaalsContact O-CB 3.31Å; A146-A150 WeakPolarHBondContact O-CB 3.46Å; A146-A150 PolarHBondContact O-N 3.26Å; A146-V177 HydrophobicContact CB-CG1 3.98Å; A146-F184 HydrophobicContact CB-CE2 3.71Å; A146-F184 HydrophobicContact CB-CZ 4.29Å; A146-F184 WeakPolarHBondContact O-CZ 3.42Å |
| 147 | T | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -74.8 | -32.9 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | K143 S144 I145 A150 G151 F184 Q187 W191 | K143-T147 WeakPolarHBondContact O-CG2 3.22Å; K143-T147 PolarHBondContact O-N 2.96Å; K143-T147 PolarHBondContact O-OG1 2.89Å; S144-T147 PolarHBondContact O-OG1 3.05Å; I145-T147 VanDerWaalsContact C-N 3.34Å; I145-T147 PolarHBondContact O-N 2.68Å; T147-A150 PolarHBondContact O-N 3.05Å; T147-G151 PolarHBondContact O-N 3.45Å; T147-F184 HydrophobicContact CG2-CB 4.44Å; T147-F184 HydrophobicContact CG2-CD1 4.32Å; T147-F184 HydrophobicContact CG2-CD2 3.4Å; T147-F184 VanDerWaalsContact CG2-CD2 3.4Å; T147-F184 HydrophobicContact CG2-CE1 4.45Å; T147-F184 HydrophobicContact CG2-CE2 3.57Å; T147-F184 HydrophobicContact CG2-CG 3.81Å; T147-F184 HydrophobicContact CG2-CZ 4.1Å; T147-Q187 HydrophobicContact CG2-CB 3.62Å; T147-W191 WeakPolarHBondContact O-CB 3.45Å |
| 148 | Q | 97.1 | Very high | 93.4 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 24% | 0.238 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 170 | -177.8 | -179.3 | 3.2 | 0 | 0 | 111.6 | S144 I145 A150 G151 L152 W191 | S144-Q148 PolarHBondContact O-N 2.8Å; I145-Q148 WeakPolarHBondContact O-CB 3.4Å; I145-Q148 PolarHBondContact O-N 3.43Å; Q148-A150 VanDerWaalsContact C-N 3.34Å; Q148-A150 PolarHBondContact O-N 3.42Å; Q148-G151 PolarHBondContact O-N 3.3Å; Q148-L152 HydrophobicContact CG-CD1 4.35Å; Q148-L152 PolarHBondContact O-N 2.78Å; Q148-W191 HydrophobicContact CB-CD2 3.9Å; Q148-W191 HydrophobicContact CB-CE3 4.32Å; Q148-W191 HydrophobicContact CB-CG 4.32Å; Q148-W191 HydrophobicContact CB-CH2 4.28Å; Q148-W191 HydrophobicContact CB-CZ2 3.86Å; Q148-W191 HydrophobicContact CB-CZ3 4.5Å; Q148-W191 HydrophobicContact CG-CD2 4.04Å; Q148-W191 HydrophobicContact CG-CE3 3.92Å; Q148-W191 HydrophobicContact CG-CH2 3.91Å; Q148-W191 HydrophobicContact CG-CZ2 4.02Å; Q148-W191 HydrophobicContact CG-CZ3 3.86Å |
| 149 | L | 97.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 177.3 | -69.9 | 174.1 | 0 | 0 | 0 | 111.8 | I134 V141 I145 L152 A153 Y207 V210 V211 | I134-L149 HydrophobicContact CD1-CD1 3.71Å; V141-L149 HydrophobicContact CG1-CD1 4.25Å; I145-L149 HydrophobicContact CG2-CD1 3.72Å; I145-L149 HydrophobicContact CG2-CG 4.14Å; I145-L149 WeakPolarHBondContact O-CB 3.33Å; I145-L149 VanDerWaalsContact O-CG 3.24Å; I145-L149 WeakPolarHBondContact O-CG 3.15Å; I145-L149 PolarHBondContact O-N 3.48Å; L149-L152 PolarHBondContact O-N 2.82Å; L149-A153 WeakPolarHBondContact O-CB 3.45Å; L149-A153 PolarHBondContact O-N 3.15Å; L149-Y207 HydrophobicContact CB-CD2 4.05Å; L149-Y207 HydrophobicContact CB-CE2 3.57Å; L149-Y207 HydrophobicContact CD2-CD1 3.99Å; L149-Y207 HydrophobicContact CD2-CD2 3.67Å; L149-Y207 HydrophobicContact CD2-CE1 4.12Å; L149-Y207 HydrophobicContact CD2-CE2 3.82Å; L149-Y207 HydrophobicContact CD2-CG 3.73Å; L149-Y207 HydrophobicContact CG-CD2 4.46Å; L149-Y207 HydrophobicContact CG-CE2 4.22Å; L149-Y207 WeakPolarHBondContact O-CD2 3.34Å; L149-Y207 VanDerWaalsContact O-CE2 3.23Å; L149-Y207 WeakPolarHBondContact O-CE2 3.35Å; L149-V210 HydrophobicContact CD2-CB 3.87Å; L149-V210 HydrophobicContact CD2-CG1 3.75Å; L149-V210 HydrophobicContact CG-CG1 4.17Å; L149-V211 HydrophobicContact CD1-CG1 3.53Å; L149-V211 HydrophobicContact CD2-CG1 3.75Å; L149-V211 HydrophobicContact CG-CG1 4.31Å |
| 150 | A | 96.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A146 T147 Q148 L152 A153 L154 F176 F184 A188 | A146-A150 VanDerWaalsContact O-CB 3.31Å; A146-A150 WeakPolarHBondContact O-CB 3.46Å; A146-A150 PolarHBondContact O-N 3.26Å; T147-A150 PolarHBondContact O-N 3.05Å; Q148-A150 VanDerWaalsContact C-N 3.34Å; Q148-A150 PolarHBondContact O-N 3.42Å; A150-L152 PolarHBondContact O-N 3.25Å; A150-A153 PolarHBondContact O-N 3.21Å; A150-L154 WeakPolarHBondContact O-CB 3.32Å; A150-L154 VanDerWaalsContact O-CG 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.33Å; A150-L154 PolarHBondContact O-N 2.84Å; A150-F176 HydrophobicContact CB-CB 3.91Å; A150-F176 HydrophobicContact CB-CD1 3.99Å; A150-F176 HydrophobicContact CB-CD2 3.66Å; A150-F176 HydrophobicContact CB-CE1 4.48Å; A150-F176 HydrophobicContact CB-CE2 4.16Å; A150-F176 HydrophobicContact CB-CG 3.55Å; A150-F184 HydrophobicContact CB-CE1 3.79Å; A150-F184 HydrophobicContact CB-CZ 3.83Å; A150-A188 HydrophobicContact CB-CB 3.64Å |
| 151 | G | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T147 Q148 Q155 A188 | T147-G151 PolarHBondContact O-N 3.45Å; Q148-G151 PolarHBondContact O-N 3.3Å; G151-Q155 WeakPolarHBondContact O-CB 3.41Å; G151-Q155 PolarHBondContact O-N 3.37Å; G151-A188 WeakPolarHBondContact CA-O 3.48Å |
| 152 | L | 97.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.6 | -37.9 | 173.8 | -72.6 | 166.8 | 0 | 0 | 0 | 112.4 | Q148 L149 A150 Q155 S156 L198 A203 Y207 V210 | Q148-L152 HydrophobicContact CG-CD1 4.35Å; Q148-L152 PolarHBondContact O-N 2.78Å; L149-L152 PolarHBondContact O-N 2.82Å; A150-L152 PolarHBondContact O-N 3.25Å; L152-Q155 PolarHBondContact O-N 3.43Å; L152-S156 PolarHBondContact O-N 2.83Å; L152-L198 HydrophobicContact CD2-CD1 3.86Å; L152-A203 HydrophobicContact CD2-CB 4.44Å; L152-Y207 HydrophobicContact CB-CD2 4.16Å; L152-V210 HydrophobicContact CD1-CG2 4.33Å |
| 153 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.5 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F127 L149 A150 Q155 S156 E157 F176 Y207 | F127-A153 HydrophobicContact CE2-CB 4.11Å; F127-A153 HydrophobicContact CZ-CB 4.15Å; L149-A153 WeakPolarHBondContact O-CB 3.45Å; L149-A153 PolarHBondContact O-N 3.15Å; A150-A153 PolarHBondContact O-N 3.21Å; A153-Q155 VanDerWaalsContact C-N 3.31Å; A153-Q155 PolarHBondContact O-N 3.06Å; A153-S156 WeakPolarHBondContact CA-OG 3.5Å; A153-S156 PolarHBondContact O-N 3.25Å; A153-S156 PolarHBondContact O-OG 3.45Å; A153-E157 WeakPolarHBondContact O-CG 3.32Å; A153-E157 PolarHBondContact O-N 3.03Å; A153-F176 HydrophobicContact CB-CD1 4.13Å; A153-F176 HydrophobicContact CB-CE1 3.56Å; A153-F176 HydrophobicContact CB-CZ 4.49Å; A153-Y207 HydrophobicContact CB-CD2 4.35Å; A153-Y207 HydrophobicContact CB-CE2 4.11Å |
| 154 | L | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.8 | -46.7 | 170.6 | -70.4 | 166.9 | 0 | 0 | 0 | 110.8 | A150 S156 E157 L158 Y170 V171 F174 F176 A188 H192 | A150-L154 WeakPolarHBondContact O-CB 3.32Å; A150-L154 VanDerWaalsContact O-CG 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.33Å; A150-L154 PolarHBondContact O-N 2.84Å; L154-S156 PolarHBondContact O-N 2.85Å; L154-E157 PolarHBondContact O-N 2.72Å; L154-E157 VanDerWaalsContact O-N 3.11Å; L154-L158 HydrophobicContact CD2-CD1 3.76Å; L154-L158 WeakPolarHBondContact O-CA 3.28Å; L154-L158 WeakPolarHBondContact O-CB 3.27Å; L154-L158 PolarHBondContact O-N 3.19Å; L154-Y170 HydrophobicContact CD1-CE2 4.2Å; L154-Y170 HydrophobicContact CD2-CD2 4.49Å; L154-Y170 HydrophobicContact CD2-CE2 4.09Å; L154-V171 HydrophobicContact CD1-CG1 4.17Å; L154-V171 HydrophobicContact CD1-CG2 3.95Å; L154-F174 HydrophobicContact CD2-CD2 3.84Å; L154-F174 HydrophobicContact CD2-CE2 4.23Å; L154-F174 HydrophobicContact CD2-CG 4.24Å; L154-F176 HydrophobicContact CD1-CE2 4.48Å; L154-F176 HydrophobicContact CD2-CE2 4.04Å; L154-F176 HydrophobicContact CD2-CZ 3.72Å; L154-F176 HydrophobicContact CG-CE2 4.09Å; L154-F176 HydrophobicContact CG-CZ 3.73Å; L154-A188 HydrophobicContact CD1-CB 4.32Å; L154-H192 HydrophobicContact CB-CB 4.1Å; L154-H192 HydrophobicContact CD1-CB 4Å |
| 155 | Q | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.1 | -34.1 | 176.3 | -177.2 | 70 | 37.1 | 0 | 0 | 112.8 | G151 L152 A153 G159 D160 H192 S195 S196 L198 A203 | G151-Q155 WeakPolarHBondContact O-CB 3.41Å; G151-Q155 PolarHBondContact O-N 3.37Å; L152-Q155 PolarHBondContact O-N 3.43Å; A153-Q155 VanDerWaalsContact C-N 3.31Å; A153-Q155 PolarHBondContact O-N 3.06Å; Q155-G159 WeakPolarHBondContact CA-O 3.33Å; Q155-G159 PolarHBondContact NE2-O 3.46Å; Q155-G159 VanDerWaalsContact O-CA 3.29Å; Q155-G159 WeakPolarHBondContact O-CA 3.35Å; Q155-G159 PolarHBondContact O-N 2.94Å; Q155-G159 VanDerWaalsContact O-N 3.15Å; Q155-G159 PolarHBondContact OE1-O 3.36Å; Q155-D160 PolarHBondContact NE2-OD1 3.47Å; Q155-H192 PolarHBondContact N-CD2 3.37Å; Q155-H192 PolarHBondContact OE1-O 3.09Å; Q155-S195 WeakPolarHBondContact CG-O 3.17Å; Q155-S195 PolarHBondContact OE1-O 3.38Å; Q155-S196 VanDerWaalsContact OE1-CA 3.23Å; Q155-S196 VanDerWaalsContact OE1-N 3.12Å; Q155-L198 HydrophobicContact CG-CB 3.99Å; Q155-L198 PolarHBondContact NE2-O 2.93Å; Q155-A203 HydrophobicContact CB-CB 4.21Å; Q155-A203 HydrophobicContact CG-CB 4.01Å |
| 156 | S | 91.2 | Very high | 90.7 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75.8 | -29.4 | 175.5 | 66.9 | 0 | 0 | 0 | 0 | 114.5 | F127 L152 A153 L154 P200 | F127-S156 VanDerWaalsContact CZ-OG 3.24Å; F127-S156 WeakPolarHBondContact CZ-OG 3.41Å; L152-S156 PolarHBondContact O-N 2.83Å; A153-S156 WeakPolarHBondContact CA-OG 3.5Å; A153-S156 PolarHBondContact O-N 3.25Å; A153-S156 PolarHBondContact O-OG 3.45Å; L154-S156 PolarHBondContact O-N 2.85Å; S156-P200 WeakPolarHBondContact O-CB 3.29Å |
| 157 | E | 88.1 | Confident | 90.1 | Very high | 80 Ų | 80 | 38.8 Ų | 38.8 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -97.6 | -29.2 | -175.2 | -66.9 | 178.3 | 131.6 | 0 | 0 | 113.3 | R131 A153 L154 F174 | R131-E157 IonicContact CZ-OE1 3.34Å; R131-E157 VanDerWaalsContact CZ-OE1 3.24Å; R131-E157 IonicContact CZ-OE2 3.85Å; R131-E157 IonicContact NH1-OE1 2.71Å; R131-E157 PolarHBondContact NH1-OE1 3.39Å; R131-E157 IonicContact NH1-OE2 2.7Å; R131-E157 PolarHBondContact NH1-OE2 2.97Å; R131-E157 IonicContact NH2-OE1 2.76Å; R131-E157 PolarHBondContact NH2-OE1 3.43Å; R131-E157 IonicContact NH2-OE2 2.85Å; R131-E157 PolarHBondContact NH2-OE2 2.87Å; A153-E157 WeakPolarHBondContact O-CG 3.32Å; A153-E157 PolarHBondContact O-N 3.03Å; L154-E157 PolarHBondContact O-N 2.72Å; L154-E157 VanDerWaalsContact O-N 3.11Å; E157-F174 HydrophobicContact CB-CE1 3.98Å; E157-F174 HydrophobicContact CB-CZ 4.41Å; E157-F174 HydrophobicContact CG-CE1 4.42Å; E157-F174 VanDerWaalsContact OE2-CD1 3.25Å; E157-F174 WeakPolarHBondContact OE2-CD1 3.27Å; E157-F174 WeakPolarHBondContact OE2-CE1 3.48Å |
| 158 | L | 89 | Confident | 89.4 | Confident | 51 Ų | 51 | 45.5 Ų | 45.5 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -118.8 | -5.8 | -174.5 | -59.8 | 178.2 | 0 | 0 | 0 | 113.9 | L154 Y170 F174 V393 | L154-L158 HydrophobicContact CD2-CD1 3.76Å; L154-L158 WeakPolarHBondContact O-CA 3.28Å; L154-L158 WeakPolarHBondContact O-CB 3.27Å; L154-L158 PolarHBondContact O-N 3.19Å; L158-Y170 HydrophobicContact CD1-CD2 3.67Å; L158-Y170 HydrophobicContact CD1-CE2 3.82Å; L158-F174 HydrophobicContact CD1-CE2 3.87Å; L158-F174 HydrophobicContact CD1-CZ 4.24Å; L158-F174 HydrophobicContact CD2-CE2 4.07Å; L158-F174 HydrophobicContact CD2-CZ 3.78Å; L158-F174 HydrophobicContact CG-CE2 4.16Å; L158-F174 HydrophobicContact CG-CZ 4Å; L158-V393 WeakPolarHBondContact O-CG2 3.5Å |
| 159 | G | 88.8 | Confident | 88.7 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | 71.3 | -139.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q155 H192 | Q155-G159 WeakPolarHBondContact CA-O 3.33Å; Q155-G159 PolarHBondContact NE2-O 3.46Å; Q155-G159 VanDerWaalsContact O-CA 3.29Å; Q155-G159 WeakPolarHBondContact O-CA 3.35Å; Q155-G159 PolarHBondContact O-N 2.94Å; Q155-G159 VanDerWaalsContact O-N 3.15Å; Q155-G159 PolarHBondContact OE1-O 3.36Å; G159-H192 PolarHBondContact O-NE2 2.82Å | ||
| 160 | D | 91.1 | Very high | 88.4 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 39% | 0.39 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -80.6 | 135.5 | -177.8 | -70.2 | -23.7 | 0 | 0 | 0 | 112.3 | Q155 T162 S196 N197 | Q155-D160 PolarHBondContact NE2-OD1 3.47Å; D160-T162 PolarHBondContact O-N 3.47Å; D160-S196 WeakPolarHBondContact OD1-CA 3.33Å; D160-N197 PolarHBondContact OD1-N 3.12Å |
| 161 | Y | 90.2 | Very high | 88.1 | Confident | 58 Ų | 58 | 46 Ų | 46 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | trans | -54.5 | 110 | 171.1 | 178.6 | -84.7 | 0 | 0 | 0 | 112.1 | C166 Y170 H192 R193 | Y161-C166 HydrophobicContact CD2-CB 3.63Å; Y161-C166 HydrophobicContact CE2-CB 3.54Å; Y161-C166 HydrophobicContact CG-CB 4.43Å; Y161-Y170 HydrophobicContact CE2-CE1 4.39Å; Y161-H192 AromaticContact CD2-ND1 3.95Å; Y161-R193 HydrophobicContact CD1-CB 4.18Å; Y161-R193 HydrophobicContact CD1-CG 3.84Å; Y161-R193 HydrophobicContact CD2-CB 4.38Å; Y161-R193 HydrophobicContact CE1-CG 4.36Å; Y161-R193 HydrophobicContact CG-CB 4.01Å; Y161-R193 HydrophobicContact CG-CG 4.17Å; Y161-R193 VanDerWaalsContact CZ-NH2 3.33Å; Y161-R193 PolarHBondContact OH-NH2 3.04Å | ||
| 162 | T | 87.3 | Confident | 87.7 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | trans | -105.1 | 148.2 | 165.8 | 68.2 | 0 | 0 | 0 | 0 | 110.1 | D160 E164 E165 C166 V390 | D160-T162 PolarHBondContact O-N 3.47Å; T162-E164 PolarHBondContact O-N 3.46Å; T162-E165 VanDerWaalsContact CG2-OE2 3.29Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.39Å; T162-E165 VanDerWaalsContact OG1-CB 3.25Å; T162-E165 WeakPolarHBondContact OG1-CB 3.46Å; T162-E165 WeakPolarHBondContact OG1-CG 3.47Å; T162-E165 PolarHBondContact OG1-N 2.91Å; T162-E165 PolarHBondContact OG1-OE2 2.98Å; T162-C166 WeakPolarHBondContact O-CB 3.21Å; T162-C166 PolarHBondContact O-N 3.24Å; T162-V390 HydrophobicContact CG2-CG1 4.03Å | ||
| 163 | A | 84.2 | Confident | 87 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 55% | 0.554 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -21.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 164 | E | 79.1 | Confident | 86.7 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -41.3 | -175.1 | -64 | 69.2 | -155.9 | 0 | 0 | 111.9 | T162 R167 V390 | T162-E164 PolarHBondContact O-N 3.46Å; E164-R167 WeakPolarHBondContact O-CG 3.46Å; E164-R167 PolarHBondContact O-NE 3.4Å; E164-V390 HydrophobicContact CB-CB 4.23Å; E164-V390 HydrophobicContact CB-CG1 4.18Å; E164-V390 HydrophobicContact CG-CB 4.2Å; E164-V390 HydrophobicContact CG-CG1 4.33Å; E164-V390 HydrophobicContact CG-CG2 4.1Å |
| 165 | E | 75.1 | Confident | 86.5 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -44.4 | 179.6 | -57.8 | 163.9 | 101.5 | 0 | 0 | 111.6 | T162 R167 G391 | T162-E165 VanDerWaalsContact CG2-OE2 3.29Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.39Å; T162-E165 VanDerWaalsContact OG1-CB 3.25Å; T162-E165 WeakPolarHBondContact OG1-CB 3.46Å; T162-E165 WeakPolarHBondContact OG1-CG 3.47Å; T162-E165 PolarHBondContact OG1-N 2.91Å; T162-E165 PolarHBondContact OG1-OE2 2.98Å; E165-R167 PolarHBondContact O-N 2.76Å; E165-G391 WeakPolarHBondContact OE1-CA 3.44Å |
| 166 | C | 81 | Confident | 86.4 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -79.9 | 50.1 | -176.9 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | Y161 T162 Y170 | Y161-C166 HydrophobicContact CD2-CB 3.63Å; Y161-C166 HydrophobicContact CE2-CB 3.54Å; Y161-C166 HydrophobicContact CG-CB 4.43Å; T162-C166 WeakPolarHBondContact O-CB 3.21Å; T162-C166 PolarHBondContact O-N 3.24Å; C166-Y170 HydrophobicContact CB-CD1 3.86Å; C166-Y170 HydrophobicContact CB-CD2 4.26Å; C166-Y170 HydrophobicContact CB-CE1 3.64Å; C166-Y170 HydrophobicContact CB-CE2 4.06Å; C166-Y170 HydrophobicContact CB-CG 4.16Å; C166-Y170 WeakPolarHBondContact O-CD1 3.19Å |
| 167 | R | 83 | Confident | 86.4 | Confident | 176 Ų | 176 | 66 Ų | 66 | 66% | 0.664 | 34% | 0.341 | S | S | * | . | trans | -61.6 | 149.8 | 179.8 | -59.3 | -176.6 | -173.9 | -169.9 | 1.1 | 111.6 | E164 E165 G169 Y170 | E164-R167 WeakPolarHBondContact O-CG 3.46Å; E164-R167 PolarHBondContact O-NE 3.4Å; E165-R167 PolarHBondContact O-N 2.76Å; R167-G169 PolarHBondContact O-N 2.92Å; R167-Y170 WeakPolarHBondContact O-CB 3.44Å; R167-Y170 VanDerWaalsContact O-CD1 3.29Å; R167-Y170 WeakPolarHBondContact O-CD1 3.27Å; R167-Y170 PolarHBondContact O-N 3.31Å | ||
| 168 | P | 80.8 | Confident | 86.3 | Confident | 142 Ų | 142 | 68.5 Ų | 68.5 | 92% | 0.922 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | 124 | -179.4 | -29.8 | 35.9 | 0 | 0 | 0 | 113.1 | ||
| 169 | G | 82.6 | Confident | 86.2 | Confident | 47 Ų | 47 | 73 Ų | 73 | 49% | 0.485 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -6.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R167 V171 N172 | R167-G169 PolarHBondContact O-N 2.92Å; G169-V171 PolarHBondContact O-N 2.81Å; G169-N172 VanDerWaalsContact O-CB 3.27Å; G169-N172 WeakPolarHBondContact O-CB 3.42Å; G169-N172 PolarHBondContact O-N 3.34Å |
| 170 | Y | 91.1 | Very high | 86.2 | Confident | 15 Ų | 15 | 74 Ų | 74 | 6% | 0.059 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -54.7 | -36.2 | 179.3 | 77.4 | -78.5 | 0 | 0 | 0 | 113.7 | L154 L158 Y161 C166 R167 N172 Q173 S189 H192 | L154-Y170 HydrophobicContact CD1-CE2 4.2Å; L154-Y170 HydrophobicContact CD2-CD2 4.49Å; L154-Y170 HydrophobicContact CD2-CE2 4.09Å; L158-Y170 HydrophobicContact CD1-CD2 3.67Å; L158-Y170 HydrophobicContact CD1-CE2 3.82Å; Y161-Y170 HydrophobicContact CE2-CE1 4.39Å; C166-Y170 HydrophobicContact CB-CD1 3.86Å; C166-Y170 HydrophobicContact CB-CD2 4.26Å; C166-Y170 HydrophobicContact CB-CE1 3.64Å; C166-Y170 HydrophobicContact CB-CE2 4.06Å; C166-Y170 HydrophobicContact CB-CG 4.16Å; C166-Y170 WeakPolarHBondContact O-CD1 3.19Å; R167-Y170 WeakPolarHBondContact O-CB 3.44Å; R167-Y170 VanDerWaalsContact O-CD1 3.29Å; R167-Y170 WeakPolarHBondContact O-CD1 3.27Å; R167-Y170 PolarHBondContact O-N 3.31Å; Y170-N172 PolarHBondContact O-N 3.07Å; Y170-Q173 VanDerWaalsContact O-CB 3.31Å; Y170-Q173 WeakPolarHBondContact O-CB 3.45Å; Y170-Q173 WeakPolarHBondContact O-CG 3.39Å; Y170-Q173 PolarHBondContact O-N 3.01Å; Y170-Q173 VanDerWaalsContact O-N 3.11Å; Y170-S189 WeakPolarHBondContact CE1-OG 3.47Å; Y170-S189 WeakPolarHBondContact OH-CA 3.38Å; Y170-S189 WeakPolarHBondContact OH-CB 3.41Å; Y170-S189 PolarHBondContact OH-OG 2.98Å; Y170-H192 AromaticContact CE2-CE1 3.92Å; Y170-H192 AromaticContact CE2-ND1 3.49Å; Y170-H192 WeakPolarHBondContact CE2-ND1 3.39Å; Y170-H192 AromaticContact CZ-ND1 3.58Å; Y170-H192 PolarHBondContact OH-ND1 2.8Å |
| 171 | V | 90.8 | Very high | 86.3 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.024 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -59.7 | -29.3 | 178.6 | -173 | 0 | 0 | 0 | 0 | 112.6 | L154 G169 Q173 F174 F176 Q180 E185 A188 | L154-V171 HydrophobicContact CD1-CG1 4.17Å; L154-V171 HydrophobicContact CD1-CG2 3.95Å; G169-V171 PolarHBondContact O-N 2.81Å; V171-Q173 PolarHBondContact O-N 3.35Å; V171-F174 PolarHBondContact O-N 2.9Å; V171-F176 HydrophobicContact CG1-CD2 4.32Å; V171-F176 HydrophobicContact CG1-CE2 3.9Å; V171-Q180 PolarHBondContact O-NE2 3.12Å; V171-E185 HydrophobicContact CB-CB 3.99Å; V171-E185 HydrophobicContact CB-CG 4.03Å; V171-E185 HydrophobicContact CG1-CB 4.08Å; V171-E185 HydrophobicContact CG1-CG 3.85Å; V171-A188 HydrophobicContact CG1-CB 4.05Å |
| 172 | N | 86.1 | Confident | 86.4 | Confident | 80 Ų | 80 | 75.4 Ų | 75.4 | 43% | 0.428 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -69.6 | -13.4 | -180 | -170.2 | 27.9 | 0 | 0 | 0 | 113.4 | G169 Y170 F174 R175 E185 | G169-N172 VanDerWaalsContact O-CB 3.27Å; G169-N172 WeakPolarHBondContact O-CB 3.42Å; G169-N172 PolarHBondContact O-N 3.34Å; Y170-N172 PolarHBondContact O-N 3.07Å; N172-F174 PolarHBondContact O-N 3.08Å; N172-R175 PolarHBondContact O-NH2 2.85Å; N172-R175 VanDerWaalsContact OD1-CZ 3.23Å; N172-R175 PolarHBondContact OD1-NH1 3.26Å; N172-R175 PolarHBondContact OD1-NH2 3.12Å; N172-E185 WeakPolarHBondContact CA-OE1 3.48Å; N172-E185 WeakPolarHBondContact CB-OE1 3.4Å; N172-E185 PolarHBondContact OD1-OE1 3.03Å |
| 173 | Q | 83.2 | Confident | 86.6 | Confident | 153 Ų | 153 | 78.4 Ų | 78.4 | 72% | 0.715 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -68.3 | -22.8 | 169.9 | -59.7 | 176.7 | 12.6 | 0 | 0 | 111.7 | Y170 V171 | Y170-Q173 VanDerWaalsContact O-CB 3.31Å; Y170-Q173 WeakPolarHBondContact O-CB 3.45Å; Y170-Q173 WeakPolarHBondContact O-CG 3.39Å; Y170-Q173 PolarHBondContact O-N 3.01Å; Y170-Q173 VanDerWaalsContact O-N 3.11Å; V171-Q173 PolarHBondContact O-N 3.35Å |
| 174 | F | 89.3 | Confident | 87.1 | Confident | 39 Ų | 39 | 75.7 Ų | 75.7 | 17% | 0.171 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -109.9 | 150.1 | -180 | -59.6 | -95 | 0 | 0 | 0 | 110.2 | L154 E157 L158 V171 N172 F176 Q180 | L154-F174 HydrophobicContact CD2-CD2 3.84Å; L154-F174 HydrophobicContact CD2-CE2 4.23Å; L154-F174 HydrophobicContact CD2-CG 4.24Å; E157-F174 HydrophobicContact CB-CE1 3.98Å; E157-F174 HydrophobicContact CB-CZ 4.41Å; E157-F174 HydrophobicContact CG-CE1 4.42Å; E157-F174 VanDerWaalsContact OE2-CD1 3.25Å; E157-F174 WeakPolarHBondContact OE2-CD1 3.27Å; E157-F174 WeakPolarHBondContact OE2-CE1 3.48Å; L158-F174 HydrophobicContact CD1-CE2 3.87Å; L158-F174 HydrophobicContact CD1-CZ 4.24Å; L158-F174 HydrophobicContact CD2-CE2 4.07Å; L158-F174 HydrophobicContact CD2-CZ 3.78Å; L158-F174 HydrophobicContact CG-CE2 4.16Å; L158-F174 HydrophobicContact CG-CZ 4Å; V171-F174 PolarHBondContact O-N 2.9Å; N172-F174 PolarHBondContact O-N 3.08Å; F174-F176 HydrophobicContact CB-CD2 4.29Å; F174-F176 HydrophobicContact CB-CE1 4.17Å; F174-F176 HydrophobicContact CB-CE2 3.41Å; F174-F176 VanDerWaalsContact CB-CE2 3.41Å; F174-F176 HydrophobicContact CB-CZ 3.33Å; F174-F176 HydrophobicContact CD1-CZ 4.4Å; F174-F176 HydrophobicContact CG-CE2 4.35Å; F174-F176 AromaticContact CG-CZ 3.94Å; F174-F176 HydrophobicContact CG-CZ 3.94Å; F174-Q180 PolarHBondContact O-NE2 3.1Å; F174-Q180 PolarHBondContact O-OE1 3.39Å |
| 175 | R | 90 | Very high | 87.8 | Confident | 124 Ų | 124 | 72.2 Ų | 72.2 | 47% | 0.468 | 38% | 0.377 | S | S | . | . | trans | -114.1 | 120.9 | 171.5 | -65.8 | -68 | 169.2 | -133.9 | -7.3 | 109.2 | L135 N172 E185 | L135-R175 HydrophobicContact CD2-CB 4.09Å; N172-R175 PolarHBondContact O-NH2 2.85Å; N172-R175 VanDerWaalsContact OD1-CZ 3.23Å; N172-R175 PolarHBondContact OD1-NH1 3.26Å; N172-R175 PolarHBondContact OD1-NH2 3.12Å; R175-E185 IonicContact NH1-OE1 2.67Å | ||
| 176 | F | 91.8 | Very high | 88.7 | Confident | 15 Ų | 15 | 71 Ų | 71 | 7% | 0.066 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -112 | -26.3 | 177.2 | -56.8 | -71.4 | 0 | 0 | 0 | 112.9 | I134 A150 A153 L154 V171 F174 F184 | I134-F176 WeakPolarHBondContact CG2-O 3.41Å; A150-F176 HydrophobicContact CB-CB 3.91Å; A150-F176 HydrophobicContact CB-CD1 3.99Å; A150-F176 HydrophobicContact CB-CD2 3.66Å; A150-F176 HydrophobicContact CB-CE1 4.48Å; A150-F176 HydrophobicContact CB-CE2 4.16Å; A150-F176 HydrophobicContact CB-CG 3.55Å; A153-F176 HydrophobicContact CB-CD1 4.13Å; A153-F176 HydrophobicContact CB-CE1 3.56Å; A153-F176 HydrophobicContact CB-CZ 4.49Å; L154-F176 HydrophobicContact CD1-CE2 4.48Å; L154-F176 HydrophobicContact CD2-CE2 4.04Å; L154-F176 HydrophobicContact CD2-CZ 3.72Å; L154-F176 HydrophobicContact CG-CE2 4.09Å; L154-F176 HydrophobicContact CG-CZ 3.73Å; V171-F176 HydrophobicContact CG1-CD2 4.32Å; V171-F176 HydrophobicContact CG1-CE2 3.9Å; F174-F176 HydrophobicContact CB-CD2 4.29Å; F174-F176 HydrophobicContact CB-CE1 4.17Å; F174-F176 HydrophobicContact CB-CE2 3.41Å; F174-F176 VanDerWaalsContact CB-CE2 3.41Å; F174-F176 HydrophobicContact CB-CZ 3.33Å; F174-F176 HydrophobicContact CD1-CZ 4.4Å; F174-F176 HydrophobicContact CG-CE2 4.35Å; F174-F176 AromaticContact CG-CZ 3.94Å; F174-F176 HydrophobicContact CG-CZ 3.94Å; F176-F184 HydrophobicContact CB-CE1 3.98Å; F176-F184 HydrophobicContact CB-CZ 3.93Å; F176-F184 HydrophobicContact CD2-CE1 4.19Å; F176-F184 HydrophobicContact CG-CE1 4.49Å |
| 177 | V | 91.8 | Very high | 89.3 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -142.9 | 155.2 | 177.6 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | I134 A146 N179 Q180 F184 | I134-V177 HydrophobicContact CG2-CG1 4.39Å; A146-V177 HydrophobicContact CB-CG1 3.98Å; V177-N179 PolarHBondContact O-N 3.03Å; V177-Q180 HydrophobicContact CG2-CB 4Å; V177-Q180 HydrophobicContact CG2-CG 4.46Å; V177-F184 HydrophobicContact CB-CE2 4.47Å; V177-F184 HydrophobicContact CG1-CE2 3.83Å; V177-F184 HydrophobicContact CG1-CZ 4Å; V177-F184 HydrophobicContact CG2-CD1 4.48Å; V177-F184 HydrophobicContact CG2-CD2 3.98Å; V177-F184 HydrophobicContact CG2-CE1 4.27Å; V177-F184 HydrophobicContact CG2-CE2 3.73Å; V177-F184 HydrophobicContact CG2-CG 4.35Å; V177-F184 HydrophobicContact CG2-CZ 3.9Å |
| 178 | Q | 86 | Confident | 89.9 | Confident | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.621 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -46.1 | -178.1 | -63.9 | 178.8 | -6.5 | 0 | 0 | 112.7 | L135 | L135-Q178 WeakPolarHBondContact O-CG 3.49Å; L135-Q178 PolarHBondContact O-NE2 2.84Å |
| 179 | N | 86.3 | Confident | 90.6 | Very high | 144 Ų | 144 | 59 Ų | 59 | 77% | 0.77 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 58.9 | -176.9 | -64.1 | -25.2 | 0 | 0 | 0 | 110.9 | V177 | V177-N179 PolarHBondContact O-N 3.03Š|
| 180 | Q | 90.2 | Very high | 91.1 | Very high | 26 Ų | 26 | 61 Ų | 61 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | trans | -68.6 | 137.2 | 177.7 | -166.9 | 169.1 | -63 | 0 | 0 | 110.7 | V171 F174 V177 F184 E185 | V171-Q180 PolarHBondContact O-NE2 3.12Å; F174-Q180 PolarHBondContact O-NE2 3.1Å; F174-Q180 PolarHBondContact O-OE1 3.39Å; V177-Q180 HydrophobicContact CG2-CB 4Å; V177-Q180 HydrophobicContact CG2-CG 4.46Å; Q180-F184 HydrophobicContact CG-CD1 3.81Å; Q180-F184 HydrophobicContact CG-CE1 4.32Å; Q180-F184 HydrophobicContact CG-CG 4.47Å; Q180-E185 HydrophobicContact CG-CG 3.89Å; Q180-E185 PolarHBondContact NE2-OE1 3.47Å | ||
| 181 | N | 92.6 | Very high | 91.4 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | trans | -143.1 | 165.6 | -178.3 | 61.6 | 22.5 | 0 | 0 | 0 | 111.4 | D183 F184 E185 | N181-D183 PolarHBondContact O-N 3.17Å; N181-D183 VanDerWaalsContact O-N 3.08Å; N181-D183 WeakPolarHBondContact OD1-CB 3.37Å; N181-F184 WeakPolarHBondContact O-CA 3.38Å; N181-F184 WeakPolarHBondContact O-CB 3.42Å; N181-F184 PolarHBondContact O-N 3.07Å; N181-F184 WeakPolarHBondContact OD1-CB 3.47Å; N181-F184 PolarHBondContact OD1-N 3.01Å; N181-E185 WeakPolarHBondContact O-CG 3.45Å; N181-E185 PolarHBondContact O-N 2.88Å | ||
| 182 | A | 91.4 | Very high | 91.6 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -53.9 | -34.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E185 A186 | A182-E185 PolarHBondContact O-N 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.43Å; A182-A186 PolarHBondContact O-N 3.39Å |
| 183 | D | 92.4 | Very high | 92 | Very high | 95 Ų | 95 | 65.3 Ų | 65.3 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 176.3 | -139.9 | 65.2 | 0 | 0 | 0 | 112.5 | K143 N181 Q187 | K143-D183 IonicContact NZ-OD2 2.89Å; K143-D183 PolarHBondContact NZ-OD2 2.96Å; N181-D183 PolarHBondContact O-N 3.17Å; N181-D183 VanDerWaalsContact O-N 3.08Å; N181-D183 WeakPolarHBondContact OD1-CB 3.37Å; D183-Q187 WeakPolarHBondContact O-CG 3.43Å |
| 184 | F | 95.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.3 | -43.1 | 172.1 | -179.4 | -79.2 | 0 | 0 | 0 | 111.3 | A146 T147 A150 F176 V177 Q180 N181 A186 Q187 A188 | A146-F184 HydrophobicContact CB-CE2 3.71Å; A146-F184 HydrophobicContact CB-CZ 4.29Å; A146-F184 WeakPolarHBondContact O-CZ 3.42Å; T147-F184 HydrophobicContact CG2-CB 4.44Å; T147-F184 HydrophobicContact CG2-CD1 4.32Å; T147-F184 HydrophobicContact CG2-CD2 3.4Å; T147-F184 VanDerWaalsContact CG2-CD2 3.4Å; T147-F184 HydrophobicContact CG2-CE1 4.45Å; T147-F184 HydrophobicContact CG2-CE2 3.57Å; T147-F184 HydrophobicContact CG2-CG 3.81Å; T147-F184 HydrophobicContact CG2-CZ 4.1Å; A150-F184 HydrophobicContact CB-CE1 3.79Å; A150-F184 HydrophobicContact CB-CZ 3.83Å; F176-F184 HydrophobicContact CB-CE1 3.98Å; F176-F184 HydrophobicContact CB-CZ 3.93Å; F176-F184 HydrophobicContact CD2-CE1 4.19Å; F176-F184 HydrophobicContact CG-CE1 4.49Å; V177-F184 HydrophobicContact CB-CE2 4.47Å; V177-F184 HydrophobicContact CG1-CE2 3.83Å; V177-F184 HydrophobicContact CG1-CZ 4Å; V177-F184 HydrophobicContact CG2-CD1 4.48Å; V177-F184 HydrophobicContact CG2-CD2 3.98Å; V177-F184 HydrophobicContact CG2-CE1 4.27Å; V177-F184 HydrophobicContact CG2-CE2 3.73Å; V177-F184 HydrophobicContact CG2-CG 4.35Å; V177-F184 HydrophobicContact CG2-CZ 3.9Å; Q180-F184 HydrophobicContact CG-CD1 3.81Å; Q180-F184 HydrophobicContact CG-CE1 4.32Å; Q180-F184 HydrophobicContact CG-CG 4.47Å; N181-F184 WeakPolarHBondContact O-CA 3.38Å; N181-F184 WeakPolarHBondContact O-CB 3.42Å; N181-F184 PolarHBondContact O-N 3.07Å; N181-F184 WeakPolarHBondContact OD1-CB 3.47Å; N181-F184 PolarHBondContact OD1-N 3.01Å; F184-A186 PolarHBondContact O-N 3.18Å; F184-Q187 PolarHBondContact O-N 2.82Å; F184-A188 HydrophobicContact CD1-CB 4.36Å; F184-A188 HydrophobicContact CE1-CB 4.18Å; F184-A188 WeakPolarHBondContact O-CB 3.44Å; F184-A188 PolarHBondContact O-N 2.98Å |
| 185 | E | 94 | Very high | 92.6 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.9 | -37.5 | -176.6 | -68.3 | -179.8 | 171.2 | 0 | 0 | 112.4 | V171 N172 R175 Q180 N181 A182 A188 S189 | V171-E185 HydrophobicContact CB-CB 3.99Å; V171-E185 HydrophobicContact CB-CG 4.03Å; V171-E185 HydrophobicContact CG1-CB 4.08Å; V171-E185 HydrophobicContact CG1-CG 3.85Å; N172-E185 WeakPolarHBondContact CA-OE1 3.48Å; N172-E185 WeakPolarHBondContact CB-OE1 3.4Å; N172-E185 PolarHBondContact OD1-OE1 3.03Å; R175-E185 IonicContact NH1-OE1 2.67Å; Q180-E185 HydrophobicContact CG-CG 3.89Å; Q180-E185 PolarHBondContact NE2-OE1 3.47Å; N181-E185 WeakPolarHBondContact O-CG 3.45Å; N181-E185 PolarHBondContact O-N 2.88Å; A182-E185 PolarHBondContact O-N 3.3Å; E185-A188 PolarHBondContact O-N 3.09Å; E185-S189 WeakPolarHBondContact O-CB 3.16Å; E185-S189 PolarHBondContact O-N 3.17Å |
| 186 | A | 92.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A182 F184 S189 E190 | A182-A186 WeakPolarHBondContact O-CB 3.43Å; A182-A186 PolarHBondContact O-N 3.39Å; F184-A186 PolarHBondContact O-N 3.18Å; A186-S189 PolarHBondContact O-N 3.03Å; A186-E190 PolarHBondContact O-N 2.73Å |
| 187 | Q | 95 | Very high | 92.3 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 178.3 | -70 | 177 | 27.1 | 0 | 0 | 112.5 | T147 D183 F184 S189 E190 W191 | T147-Q187 HydrophobicContact CG2-CB 3.62Å; D183-Q187 WeakPolarHBondContact O-CG 3.43Å; F184-Q187 PolarHBondContact O-N 2.82Å; Q187-S189 VanDerWaalsContact C-N 3.32Å; Q187-S189 PolarHBondContact O-N 3.14Å; Q187-E190 WeakPolarHBondContact O-CB 3.16Å; Q187-E190 PolarHBondContact O-N 2.96Å; Q187-W191 VanDerWaalsContact O-CD1 3.24Å; Q187-W191 PolarHBondContact O-N 2.75Å |
| 188 | A | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A150 G151 L154 V171 F184 E185 W191 H192 | A150-A188 HydrophobicContact CB-CB 3.64Å; G151-A188 WeakPolarHBondContact CA-O 3.48Å; L154-A188 HydrophobicContact CD1-CB 4.32Å; V171-A188 HydrophobicContact CG1-CB 4.05Å; F184-A188 HydrophobicContact CD1-CB 4.36Å; F184-A188 HydrophobicContact CE1-CB 4.18Å; F184-A188 WeakPolarHBondContact O-CB 3.44Å; F184-A188 PolarHBondContact O-N 2.98Å; E185-A188 PolarHBondContact O-N 3.09Å; A188-W191 PolarHBondContact O-N 2.7Å; A188-H192 WeakPolarHBondContact O-CB 3.41Å; A188-H192 PolarHBondContact O-N 2.89Å |
| 189 | S | 94.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.4 | -33.9 | 173.5 | -173.4 | 0 | 0 | 0 | 0 | 113.1 | Y170 E185 A186 Q187 R193 | Y170-S189 WeakPolarHBondContact CE1-OG 3.47Å; Y170-S189 WeakPolarHBondContact OH-CA 3.38Å; Y170-S189 WeakPolarHBondContact OH-CB 3.41Å; Y170-S189 PolarHBondContact OH-OG 2.98Å; E185-S189 WeakPolarHBondContact O-CB 3.16Å; E185-S189 PolarHBondContact O-N 3.17Å; A186-S189 PolarHBondContact O-N 3.03Å; Q187-S189 VanDerWaalsContact C-N 3.32Å; Q187-S189 PolarHBondContact O-N 3.14Å; S189-R193 PolarHBondContact O-N 2.8Å; S189-R193 VanDerWaalsContact O-N 3.1Å |
| 190 | E | 94.7 | Very high | 92.2 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 171.5 | -160.8 | -160.6 | 148.2 | 0 | 0 | 111.4 | A186 Q187 R193 K194 | A186-E190 PolarHBondContact O-N 2.73Å; Q187-E190 WeakPolarHBondContact O-CB 3.16Å; Q187-E190 PolarHBondContact O-N 2.96Å; E190-R193 PolarHBondContact O-N 3.01Å; E190-K194 VanDerWaalsContact CD-NZ 3.34Å; E190-K194 WeakPolarHBondContact O-CG 3.15Å; E190-K194 PolarHBondContact O-N 3.07Å; E190-K194 VanDerWaalsContact O-N 3.08Å; E190-K194 WeakPolarHBondContact OE1-CE 3.23Å; E190-K194 IonicContact OE1-NZ 3.13Å; E190-K194 PolarHBondContact OE1-NZ 2.82Å |
| 191 | W | 96.4 | Very high | 92 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 174.1 | -81.4 | 113.5 | 0 | 0 | 0 | 113.1 | T147 Q148 Q187 A188 R193 K194 S195 | T147-W191 WeakPolarHBondContact O-CB 3.45Å; Q148-W191 HydrophobicContact CB-CD2 3.9Å; Q148-W191 HydrophobicContact CB-CE3 4.32Å; Q148-W191 HydrophobicContact CB-CG 4.32Å; Q148-W191 HydrophobicContact CB-CH2 4.28Å; Q148-W191 HydrophobicContact CB-CZ2 3.86Å; Q148-W191 HydrophobicContact CB-CZ3 4.5Å; Q148-W191 HydrophobicContact CG-CD2 4.04Å; Q148-W191 HydrophobicContact CG-CE3 3.92Å; Q148-W191 HydrophobicContact CG-CH2 3.91Å; Q148-W191 HydrophobicContact CG-CZ2 4.02Å; Q148-W191 HydrophobicContact CG-CZ3 3.86Å; Q187-W191 VanDerWaalsContact O-CD1 3.24Å; Q187-W191 PolarHBondContact O-N 2.75Å; A188-W191 PolarHBondContact O-N 2.7Å; W191-R193 VanDerWaalsContact C-N 3.31Å; W191-R193 PolarHBondContact O-N 2.9Å; W191-K194 HydrophobicContact CD2-CD 4.23Å; W191-K194 HydrophobicContact CE3-CB 4.27Å; W191-K194 HydrophobicContact CE3-CD 3.84Å; W191-K194 HydrophobicContact CZ3-CD 4.19Å; W191-K194 CarbonylContact O-C 3.6Å; W191-K194 WeakPolarHBondContact O-CA 3.48Å; W191-K194 WeakPolarHBondContact O-CB 3.38Å; W191-K194 PolarHBondContact O-N 2.96Å; W191-S195 WeakPolarHBondContact O-CB 3.49Å; W191-S195 PolarHBondContact O-N 3.2Å; W191-S195 PolarHBondContact O-OG 3.46Å; W191-S195 VanDerWaalsContact O-OG 3.06Å |
| 192 | H | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.3 | -47.4 | 172.5 | -175.6 | -158.9 | 0 | 0 | 0 | 110.9 | L154 Q155 G159 Y161 Y170 A188 K194 S195 S196 | L154-H192 HydrophobicContact CB-CB 4.1Å; L154-H192 HydrophobicContact CD1-CB 4Å; Q155-H192 PolarHBondContact N-CD2 3.37Å; Q155-H192 PolarHBondContact OE1-O 3.09Å; G159-H192 PolarHBondContact O-NE2 2.82Å; Y161-H192 AromaticContact CD2-ND1 3.95Å; Y170-H192 AromaticContact CE2-CE1 3.92Å; Y170-H192 AromaticContact CE2-ND1 3.49Å; Y170-H192 WeakPolarHBondContact CE2-ND1 3.39Å; Y170-H192 AromaticContact CZ-ND1 3.58Å; Y170-H192 PolarHBondContact OH-ND1 2.8Å; A188-H192 WeakPolarHBondContact O-CB 3.41Å; A188-H192 PolarHBondContact O-N 2.89Å; H192-K194 VanDerWaalsContact C-N 3.3Å; H192-K194 PolarHBondContact O-N 2.82Å; H192-S195 PolarHBondContact O-N 3.39Å; H192-S196 PolarHBondContact O-N 3.26Å; H192-S196 PolarHBondContact O-OG 2.98Å |
| 193 | R | 93.9 | Very high | 92 | Very high | 127 Ų | 127 | 52.6 Ų | 52.6 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -30 | 174.3 | -165.5 | -173.8 | -57.4 | 135.7 | 2.6 | 113.9 | Y161 S189 E190 W191 S196 | Y161-R193 HydrophobicContact CD1-CB 4.18Å; Y161-R193 HydrophobicContact CD1-CG 3.84Å; Y161-R193 HydrophobicContact CD2-CB 4.38Å; Y161-R193 HydrophobicContact CE1-CG 4.36Å; Y161-R193 HydrophobicContact CG-CB 4.01Å; Y161-R193 HydrophobicContact CG-CG 4.17Å; Y161-R193 VanDerWaalsContact CZ-NH2 3.33Å; Y161-R193 PolarHBondContact OH-NH2 3.04Å; S189-R193 PolarHBondContact O-N 2.8Å; S189-R193 VanDerWaalsContact O-N 3.1Å; E190-R193 PolarHBondContact O-N 3.01Å; W191-R193 VanDerWaalsContact C-N 3.31Å; W191-R193 PolarHBondContact O-N 2.9Å; R193-S196 PolarHBondContact O-OG 3.38Å |
| 194 | K | 93.5 | Very high | 92.1 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 50% | 0.504 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -76.8 | -23.7 | 173.2 | -71.2 | 166.8 | -174.8 | 167.1 | 0 | 113 | E190 W191 H192 | E190-K194 VanDerWaalsContact CD-NZ 3.34Å; E190-K194 WeakPolarHBondContact O-CG 3.15Å; E190-K194 PolarHBondContact O-N 3.07Å; E190-K194 VanDerWaalsContact O-N 3.08Å; E190-K194 WeakPolarHBondContact OE1-CE 3.23Å; E190-K194 IonicContact OE1-NZ 3.13Å; E190-K194 PolarHBondContact OE1-NZ 2.82Å; W191-K194 HydrophobicContact CD2-CD 4.23Å; W191-K194 HydrophobicContact CE3-CB 4.27Å; W191-K194 HydrophobicContact CE3-CD 3.84Å; W191-K194 HydrophobicContact CZ3-CD 4.19Å; W191-K194 CarbonylContact O-C 3.6Å; W191-K194 WeakPolarHBondContact O-CA 3.48Å; W191-K194 WeakPolarHBondContact O-CB 3.38Å; W191-K194 PolarHBondContact O-N 2.96Å; H192-K194 VanDerWaalsContact C-N 3.3Å; H192-K194 PolarHBondContact O-N 2.82Å |
| 195 | S | 91.5 | Very high | 92 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -88.9 | -7.9 | -178.2 | -66 | 0 | 0 | 0 | 0 | 113.8 | Q155 W191 H192 L198 | Q155-S195 WeakPolarHBondContact CG-O 3.17Å; Q155-S195 PolarHBondContact OE1-O 3.38Å; W191-S195 WeakPolarHBondContact O-CB 3.49Å; W191-S195 PolarHBondContact O-N 3.2Å; W191-S195 PolarHBondContact O-OG 3.46Å; W191-S195 VanDerWaalsContact O-OG 3.06Å; H192-S195 PolarHBondContact O-N 3.39Å; S195-L198 VanDerWaalsContact O-CB 3.3Å; S195-L198 WeakPolarHBondContact O-CB 3.41Å; S195-L198 VanDerWaalsContact O-CG 3.24Å; S195-L198 WeakPolarHBondContact O-CG 3.18Å; S195-L198 PolarHBondContact O-N 2.91Å |
| 196 | S | 88.6 | Confident | 92.1 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 147.3 | 177.3 | -54.8 | 0 | 0 | 0 | 0 | 113 | Q155 D160 H192 R193 L198 | Q155-S196 VanDerWaalsContact OE1-CA 3.23Å; Q155-S196 VanDerWaalsContact OE1-N 3.12Å; D160-S196 WeakPolarHBondContact OD1-CA 3.33Å; H192-S196 PolarHBondContact O-N 3.26Å; H192-S196 PolarHBondContact O-OG 2.98Å; R193-S196 PolarHBondContact O-OG 3.38Å; S196-L198 VanDerWaalsContact C-N 3.3Å |
| 197 | N | 86.7 | Confident | 92.3 | Very high | 145 Ų | 145 | 50.4 Ų | 50.4 | 78% | 0.775 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -0 | -167.4 | -45.9 | -99.6 | 0 | 0 | 0 | 115.3 | D160 | D160-N197 PolarHBondContact OD1-N 3.12Š|
| 198 | L | 87.8 | Confident | 92.3 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | trans | -83.5 | 124.6 | 168.5 | -65.7 | 176 | 0 | 0 | 0 | 110.5 | L152 Q155 S195 S196 A202 A203 | L152-L198 HydrophobicContact CD2-CD1 3.86Å; Q155-L198 HydrophobicContact CG-CB 3.99Å; Q155-L198 PolarHBondContact NE2-O 2.93Å; S195-L198 VanDerWaalsContact O-CB 3.3Å; S195-L198 WeakPolarHBondContact O-CB 3.41Å; S195-L198 VanDerWaalsContact O-CG 3.24Å; S195-L198 WeakPolarHBondContact O-CG 3.18Å; S195-L198 PolarHBondContact O-N 2.91Å; S196-L198 VanDerWaalsContact C-N 3.3Å; L198-A202 HydrophobicContact CD2-CB 4.37Å; L198-A203 HydrophobicContact CB-CB 4.25Å | ||
| 199 | L | 89.3 | Confident | 92.3 | Very high | 124 Ų | 124 | 48.8 Ų | 48.8 | 65% | 0.649 | 25% | 0.246 | S | C | * | . | trans | -62.5 | 148.2 | 166.3 | -61.8 | 175.8 | 0 | 0 | 0 | 109.8 | A201 A202 A203 | L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 3.45Å; L199-A202 WeakPolarHBondContact O-CA 3.3Å; L199-A202 WeakPolarHBondContact O-CB 3.45Å; L199-A202 PolarHBondContact O-N 3.31Å; L199-A203 PolarHBondContact O-N 3Å | ||
| 200 | P | 85.3 | Confident | 92.4 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -49.1 | -47.1 | -178.5 | -32 | 34.7 | 0 | 0 | 0 | 114.6 | S156 A202 A203 E204 T396 | S156-P200 WeakPolarHBondContact O-CB 3.29Å; P200-A202 PolarHBondContact O-N 3.43Å; P200-A203 CarbonylContact O-C 3.54Å; P200-A203 WeakPolarHBondContact O-CA 3.16Å; P200-A203 PolarHBondContact O-N 3.37Å; P200-E204 WeakPolarHBondContact O-CB 3.44Å; P200-E204 WeakPolarHBondContact O-CG 3.28Å; P200-E204 PolarHBondContact O-N 3.18Å; P200-T396 HydrophobicContact CB-CG2 3.66Å; P200-T396 HydrophobicContact CG-CG2 3.79Å |
| 201 | A | 86.1 | Confident | 92.4 | Very high | 18 Ų | 18 | 45 Ų | 45 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -28.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E120 L199 E204 L205 T396 | E120-A201 HydrophobicContact CG-CB 3.74Å; E120-A201 VanDerWaalsContact OE2-CB 3.25Å; E120-A201 WeakPolarHBondContact OE2-CB 3.39Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 3.45Å; A201-E204 PolarHBondContact N-OE1 3.09Å; A201-L205 VanDerWaalsContact O-CB 3.31Å; A201-L205 WeakPolarHBondContact O-CB 3.49Å; A201-L205 PolarHBondContact O-N 3.37Å; A201-L205 VanDerWaalsContact O-N 3.09Å; A201-T396 HydrophobicContact CB-CG2 4.29Å |
| 202 | A | 90.7 | Very high | 92.2 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 34% | 0.339 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -81.1 | -36.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L198 L199 P200 L205 E206 | L198-A202 HydrophobicContact CD2-CB 4.37Å; L199-A202 WeakPolarHBondContact O-CA 3.3Å; L199-A202 WeakPolarHBondContact O-CB 3.45Å; L199-A202 PolarHBondContact O-N 3.31Å; P200-A202 PolarHBondContact O-N 3.43Å; A202-L205 PolarHBondContact O-N 3.45Å; A202-E206 WeakPolarHBondContact O-CB 3.5Å; A202-E206 PolarHBondContact O-N 2.8Å |
| 203 | A | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | L152 Q155 L198 L199 P200 E206 Y207 | L152-A203 HydrophobicContact CD2-CB 4.44Å; Q155-A203 HydrophobicContact CB-CB 4.21Å; Q155-A203 HydrophobicContact CG-CB 4.01Å; L198-A203 HydrophobicContact CB-CB 4.25Å; L199-A203 PolarHBondContact O-N 3Å; P200-A203 CarbonylContact O-C 3.54Å; P200-A203 WeakPolarHBondContact O-CA 3.16Å; P200-A203 PolarHBondContact O-N 3.37Å; A203-E206 PolarHBondContact O-N 3.32Å; A203-Y207 WeakPolarHBondContact O-CB 3.08Å; A203-Y207 PolarHBondContact O-N 2.69Å |
| 204 | E | 94.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 171.1 | -70.2 | 159.7 | -133.9 | 0 | 0 | 111.2 | Y124 F127 P200 A201 Y207 L208 S398 | Y124-E204 WeakPolarHBondContact CB-OE2 3.44Å; F127-E204 HydrophobicContact CD1-CG 4.12Å; F127-E204 HydrophobicContact CD2-CG 4.4Å; F127-E204 HydrophobicContact CE1-CG 4.28Å; F127-E204 HydrophobicContact CG-CB 4.44Å; F127-E204 HydrophobicContact CG-CG 4.17Å; F127-E204 HydrophobicContact CZ-CG 4.48Å; P200-E204 WeakPolarHBondContact O-CB 3.44Å; P200-E204 WeakPolarHBondContact O-CG 3.28Å; P200-E204 PolarHBondContact O-N 3.18Å; A201-E204 PolarHBondContact N-OE1 3.09Å; E204-Y207 WeakPolarHBondContact O-CB 3.43Å; E204-L208 WeakPolarHBondContact O-CG 3.4Å; E204-L208 PolarHBondContact O-N 3.48Å; E204-L208 VanDerWaalsContact O-N 3.14Å; E204-S398 PolarHBondContact OE1-OG 2.84Å; E204-S398 PolarHBondContact OE2-OG 3.09Å |
| 205 | L | 93.2 | Very high | 91.7 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 175.9 | 174.5 | 59.7 | 0 | 0 | 0 | 111.8 | P114 V115 A201 A202 L208 N209 | P114-L205 HydrophobicContact CB-CD1 3.81Å; V115-L205 HydrophobicContact CG2-CD1 4.24Å; A201-L205 VanDerWaalsContact O-CB 3.31Å; A201-L205 WeakPolarHBondContact O-CB 3.49Å; A201-L205 PolarHBondContact O-N 3.37Å; A201-L205 VanDerWaalsContact O-N 3.09Å; A202-L205 PolarHBondContact O-N 3.45Å; L205-L208 CarbonylContact O-C 3.46Å; L205-L208 WeakPolarHBondContact O-CB 3.36Å; L205-L208 PolarHBondContact O-N 2.77Å; L205-N209 PolarHBondContact O-N 3.17Å |
| 206 | E | 95 | Very high | 91.7 | Very high | 90 Ų | 90 | 47.1 Ų | 47.1 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.2 | -30.9 | -178 | -164.9 | 68.8 | 164.7 | 0 | 0 | 112.4 | A202 A203 L208 N209 V210 | A202-E206 WeakPolarHBondContact O-CB 3.5Å; A202-E206 PolarHBondContact O-N 2.8Å; A203-E206 PolarHBondContact O-N 3.32Å; E206-L208 VanDerWaalsContact C-N 3.28Å; E206-L208 PolarHBondContact O-N 3.39Å; E206-N209 CarbonylContact O-C 3.58Å; E206-N209 PolarHBondContact O-N 2.97Å; E206-N209 VanDerWaalsContact O-N 3.15Å; E206-N209 WeakPolarHBondContact OE2-CB 3.34Å; E206-N209 PolarHBondContact OE2-ND2 3.2Å; E206-V210 WeakPolarHBondContact O-CG2 3.5Å; E206-V210 PolarHBondContact O-N 2.98Å |
| 207 | Y | 97.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.6 | -45.2 | 166.1 | -176.1 | -71.6 | 0 | 0 | 0 | 110.6 | F127 I130 R131 L149 L152 A153 A203 E204 V210 V211 | F127-Y207 AromaticContact CD2-CD1 3.71Å; F127-Y207 HydrophobicContact CD2-CD1 3.71Å; F127-Y207 HydrophobicContact CD2-CD2 4.02Å; F127-Y207 HydrophobicContact CD2-CE1 4.1Å; F127-Y207 HydrophobicContact CD2-CE2 4.38Å; F127-Y207 AromaticContact CD2-CG 3.7Å; F127-Y207 HydrophobicContact CD2-CG 3.7Å; F127-Y207 HydrophobicContact CE2-CD1 4.31Å; F127-Y207 AromaticContact CE2-CD2 3.78Å; F127-Y207 HydrophobicContact CE2-CD2 3.78Å; F127-Y207 HydrophobicContact CE2-CE2 4.08Å; F127-Y207 AromaticContact CE2-CG 3.93Å; F127-Y207 HydrophobicContact CE2-CG 3.93Å; I130-Y207 HydrophobicContact CB-CE1 4.17Å; I130-Y207 HydrophobicContact CG2-CE1 3.66Å; R131-Y207 HydrophobicContact CG-CE1 4.24Å; R131-Y207 HydrophobicContact CG-CE2 4.12Å; R131-Y207 WeakPolarHBondContact CG-OH 3.44Å; L149-Y207 HydrophobicContact CB-CD2 4.05Å; L149-Y207 HydrophobicContact CB-CE2 3.57Å; L149-Y207 HydrophobicContact CD2-CD1 3.99Å; L149-Y207 HydrophobicContact CD2-CD2 3.67Å; L149-Y207 HydrophobicContact CD2-CE1 4.12Å; L149-Y207 HydrophobicContact CD2-CE2 3.82Å; L149-Y207 HydrophobicContact CD2-CG 3.73Å; L149-Y207 HydrophobicContact CG-CD2 4.46Å; L149-Y207 HydrophobicContact CG-CE2 4.22Å; L149-Y207 WeakPolarHBondContact O-CD2 3.34Å; L149-Y207 VanDerWaalsContact O-CE2 3.23Å; L149-Y207 WeakPolarHBondContact O-CE2 3.35Å; L152-Y207 HydrophobicContact CB-CD2 4.16Å; A153-Y207 HydrophobicContact CB-CD2 4.35Å; A153-Y207 HydrophobicContact CB-CE2 4.11Å; A203-Y207 WeakPolarHBondContact O-CB 3.08Å; A203-Y207 PolarHBondContact O-N 2.69Å; E204-Y207 WeakPolarHBondContact O-CB 3.43Å; Y207-V210 PolarHBondContact O-N 3.23Å; Y207-V211 HydrophobicContact CE1-CG1 4.27Å; Y207-V211 WeakPolarHBondContact O-CG2 3.45Å; Y207-V211 PolarHBondContact O-N 2.81Å; Y207-V211 VanDerWaalsContact O-N 3.12Å |
| 208 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.1 | -35.1 | 175 | -66.4 | 174.8 | 0 | 0 | 0 | 112.9 | P114 R123 F126 I130 E204 L205 E206 V210 V211 R212 | P114-L208 HydrophobicContact CB-CB 3.69Å; P114-L208 HydrophobicContact CB-CD1 4.17Å; P114-L208 HydrophobicContact CG-CB 3.5Å; R123-L208 HydrophobicContact CB-CD1 4.17Å; R123-L208 WeakPolarHBondContact O-CD1 3.28Å; F126-L208 HydrophobicContact CB-CD1 3.99Å; F126-L208 HydrophobicContact CB-CD2 4.1Å; I130-L208 HydrophobicContact CG1-CD2 4.04Å; E204-L208 WeakPolarHBondContact O-CG 3.4Å; E204-L208 PolarHBondContact O-N 3.48Å; E204-L208 VanDerWaalsContact O-N 3.14Å; L205-L208 CarbonylContact O-C 3.46Å; L205-L208 WeakPolarHBondContact O-CB 3.36Å; L205-L208 PolarHBondContact O-N 2.77Å; E206-L208 VanDerWaalsContact C-N 3.28Å; E206-L208 PolarHBondContact O-N 3.39Å; L208-V210 VanDerWaalsContact C-N 3.3Å; L208-V210 PolarHBondContact O-N 3.01Å; L208-V211 HydrophobicContact CD2-CG2 4.25Å; L208-V211 PolarHBondContact O-N 3.49Å; L208-R212 WeakPolarHBondContact O-CB 3.46Å; L208-R212 PolarHBondContact O-N 3.12Å; L208-R212 VanDerWaalsContact O-N 3.1Å |
| 209 | N | 95.2 | Very high | 92.3 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 16% | 0.16 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.7 | -25.7 | 173.6 | -73.7 | -30.1 | 0 | 0 | 0 | 113.4 | L205 E206 R212 Y213 | L205-N209 PolarHBondContact O-N 3.17Å; E206-N209 CarbonylContact O-C 3.58Å; E206-N209 PolarHBondContact O-N 2.97Å; E206-N209 VanDerWaalsContact O-N 3.15Å; E206-N209 WeakPolarHBondContact OE2-CB 3.34Å; E206-N209 PolarHBondContact OE2-ND2 3.2Å; N209-R212 WeakPolarHBondContact O-CG 3.46Å; N209-Y213 WeakPolarHBondContact O-CD2 3.43Å; N209-Y213 WeakPolarHBondContact O-CE2 3.3Å |
| 210 | V | 95.4 | Very high | 92.4 | Very high | 25 Ų | 25 | 34 Ų | 34 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.7 | -48.4 | 170.6 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | I145 L149 L152 E206 Y207 L208 R212 | I145-V210 HydrophobicContact CG2-CG1 3.94Å; L149-V210 HydrophobicContact CD2-CB 3.87Å; L149-V210 HydrophobicContact CD2-CG1 3.75Å; L149-V210 HydrophobicContact CG-CG1 4.17Å; L152-V210 HydrophobicContact CD1-CG2 4.33Å; E206-V210 WeakPolarHBondContact O-CG2 3.5Å; E206-V210 PolarHBondContact O-N 2.98Å; Y207-V210 PolarHBondContact O-N 3.23Å; L208-V210 VanDerWaalsContact C-N 3.3Å; L208-V210 PolarHBondContact O-N 3.01Å; V210-R212 PolarHBondContact O-N 3.15Å |
| 211 | V | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.6 | -25.2 | -173.2 | -64.8 | 0 | 0 | 0 | 0 | 115.2 | I130 I134 L139 L149 Y207 L208 Y213 L214 Y217 | I130-V211 HydrophobicContact CD1-CG2 4.38Å; I130-V211 HydrophobicContact CG1-CG2 4.21Å; I130-V211 HydrophobicContact CG2-CB 4.06Å; I130-V211 HydrophobicContact CG2-CG1 3.76Å; I130-V211 HydrophobicContact CG2-CG2 3.77Å; I134-V211 HydrophobicContact CD1-CG1 4.44Å; L139-V211 HydrophobicContact CD2-CB 4.41Å; L139-V211 HydrophobicContact CD2-CG1 4.46Å; L149-V211 HydrophobicContact CD1-CG1 3.53Å; L149-V211 HydrophobicContact CD2-CG1 3.75Å; L149-V211 HydrophobicContact CG-CG1 4.31Å; Y207-V211 HydrophobicContact CE1-CG1 4.27Å; Y207-V211 WeakPolarHBondContact O-CG2 3.45Å; Y207-V211 PolarHBondContact O-N 2.81Å; Y207-V211 VanDerWaalsContact O-N 3.12Å; L208-V211 HydrophobicContact CD2-CG2 4.25Å; L208-V211 PolarHBondContact O-N 3.49Å; V211-Y213 PolarHBondContact O-N 2.98Å; V211-L214 HydrophobicContact CB-CD1 3.97Å; V211-L214 HydrophobicContact CG1-CD1 3.96Å; V211-L214 WeakPolarHBondContact O-CB 3.5Å; V211-L214 WeakPolarHBondContact O-CG 3.32Å; V211-L214 PolarHBondContact O-N 3.19Å; V211-Y217 HydrophobicContact CB-CD2 4.17Å; V211-Y217 HydrophobicContact CG2-CD2 3.88Å; V211-Y217 HydrophobicContact CG2-CE2 3.81Å; V211-Y217 WeakPolarHBondContact O-CB 3.43Å; V211-Y217 WeakPolarHBondContact O-CD2 3.44Å |
| 212 | R | 92.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 20% | 0.2 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.3 | 179.9 | 67.9 | -176.2 | -67.6 | -167.1 | -3.6 | 114.6 | P112 D113 L208 N209 V210 | P112-R212 PolarHBondContact O-NE 3.01Å; P112-R212 PolarHBondContact O-NH2 2.9Å; D113-R212 VanDerWaalsContact CB-NH2 3.31Å; D113-R212 IonicContact OD1-CZ 2.77Å; D113-R212 IonicContact OD1-NH1 2.81Å; D113-R212 PolarHBondContact OD1-NH1 2.8Å; D113-R212 VanDerWaalsContact OD1-NH1 3.09Å; D113-R212 IonicContact OD1-NH2 3.7Å; D113-R212 IonicContact OD2-CZ 2.82Å; D113-R212 IonicContact OD2-NH1 3.2Å; D113-R212 PolarHBondContact OD2-NH1 2.86Å; D113-R212 IonicContact OD2-NH2 2.72Å; D113-R212 PolarHBondContact OD2-NH2 2.88Å; L208-R212 WeakPolarHBondContact O-CB 3.46Å; L208-R212 PolarHBondContact O-N 3.12Å; L208-R212 VanDerWaalsContact O-N 3.1Å; N209-R212 WeakPolarHBondContact O-CG 3.46Å; V210-R212 PolarHBondContact O-N 3.15Å |
| 213 | Y | 91.4 | Very high | 92.9 | Very high | 176 Ų | 176 | 39.6 Ų | 39.6 | 69% | 0.69 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 1.8 | 179.4 | -61.1 | -68.4 | 0 | 0 | 0 | 113.8 | N209 V211 | N209-Y213 WeakPolarHBondContact O-CD2 3.43Å; N209-Y213 WeakPolarHBondContact O-CE2 3.3Å; V211-Y213 PolarHBondContact O-N 2.98Å |
| 214 | L | 91.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -82.9 | 133.5 | 177 | -61.4 | 170.4 | 0 | 0 | 0 | 110.7 | L139 V141 I145 V211 H216 Y217 | L139-L214 HydrophobicContact CD1-CB 4.07Å; L139-L214 HydrophobicContact CD1-CD1 3.98Å; L139-L214 HydrophobicContact CD2-CD1 4.05Å; L139-L214 HydrophobicContact CG-CD1 4.09Å; V141-L214 HydrophobicContact CG1-CD1 3.65Å; I145-L214 HydrophobicContact CD1-CD2 3.95Å; V211-L214 HydrophobicContact CB-CD1 3.97Å; V211-L214 HydrophobicContact CG1-CD1 3.96Å; V211-L214 WeakPolarHBondContact O-CB 3.5Å; V211-L214 WeakPolarHBondContact O-CG 3.32Å; V211-L214 PolarHBondContact O-N 3.19Å; L214-H216 PolarHBondContact O-N 3.34Å; L214-Y217 VanDerWaalsContact O-CB 3.23Å; L214-Y217 WeakPolarHBondContact O-CB 3.23Å; L214-Y217 PolarHBondContact O-N 2.85Å |
| 215 | D | 88.8 | Confident | 92.9 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -27.1 | -177.7 | -68.6 | -4.9 | 0 | 0 | 0 | 114.8 | V219 F246 M251 | D215-V219 WeakPolarHBondContact O-CG2 3.38Å; D215-F246 HydrophobicContact CB-CE1 4.06Å; D215-M251 HydrophobicContact CB-CB 4.37Å |
| 216 | H | 90.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 3 | -179.3 | -64.4 | -95 | 0 | 0 | 0 | 114 | L139 L214 G218 V219 F246 N249 | L139-H216 HydrophobicContact CD1-CB 3.8Å; L214-H216 PolarHBondContact O-N 3.34Å; H216-G218 PolarHBondContact O-N 3.08Å; H216-G218 VanDerWaalsContact O-N 3.14Å; H216-V219 WeakPolarHBondContact O-CB 3.43Å; H216-V219 PolarHBondContact O-N 2.9Å; H216-F246 AromaticContact CE1-CD1 3.28Å; H216-F246 WeakPolarHBondContact CE1-CD1 3.35Å; H216-F246 AromaticContact CE1-CE1 3.56Å; H216-F246 AromaticContact CE1-CG 3.73Å; H216-F246 AromaticContact ND1-CE1 3.9Å; H216-F246 AromaticContact NE2-CD1 3.49Å; H216-F246 WeakPolarHBondContact NE2-CD1 3.08Å; H216-F246 AromaticContact NE2-CE1 3.71Å; H216-N249 PolarHBondContact NE2-O 3.37Å |
| 217 | Y | 93.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 118.3 | -178.5 | 175 | -90.6 | 0 | 0 | 0 | 111.5 | Y110 V111 I130 V211 L214 V219 F240 | Y110-Y217 HydrophobicContact CD1-CE2 4.49Å; V111-Y217 VanDerWaalsContact O-CE1 3.32Å; V111-Y217 WeakPolarHBondContact O-CE1 3.37Å; V111-Y217 PolarHBondContact O-OH 2.76Å; I130-Y217 HydrophobicContact CD1-CD2 3.84Å; I130-Y217 HydrophobicContact CD1-CE2 3.64Å; I130-Y217 HydrophobicContact CG1-CE2 4.31Å; V211-Y217 HydrophobicContact CB-CD2 4.17Å; V211-Y217 HydrophobicContact CG2-CD2 3.88Å; V211-Y217 HydrophobicContact CG2-CE2 3.81Å; V211-Y217 WeakPolarHBondContact O-CB 3.43Å; V211-Y217 WeakPolarHBondContact O-CD2 3.44Å; L214-Y217 VanDerWaalsContact O-CB 3.23Å; L214-Y217 WeakPolarHBondContact O-CB 3.23Å; L214-Y217 PolarHBondContact O-N 2.85Å; Y217-V219 PolarHBondContact O-N 3.18Å; Y217-F240 HydrophobicContact CD1-CE1 4.1Å; Y217-F240 HydrophobicContact CE1-CE1 4.23Å |
| 218 | G | 91.4 | Very high | 91.5 | Very high | 9 Ų | 9 | 44 Ų | 44 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 12.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y110 H216 K220 | Y110-G218 VanDerWaalsContact CD2-CA 3.5Å; H216-G218 PolarHBondContact O-N 3.08Å; H216-G218 VanDerWaalsContact O-N 3.14Å; G218-K220 PolarHBondContact O-N 2.94Å |
| 219 | V | 92.6 | Very high | 90.6 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 11% | 0.109 | 24% | 0.237 | C | C | . | . | trans | -83.1 | 113.4 | -177.5 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | D215 H216 Y217 S221 V238 F246 | D215-V219 WeakPolarHBondContact O-CG2 3.38Å; H216-V219 WeakPolarHBondContact O-CB 3.43Å; H216-V219 PolarHBondContact O-N 2.9Å; Y217-V219 PolarHBondContact O-N 3.18Å; V219-S221 PolarHBondContact O-N 3.11Å; V219-S221 VanDerWaalsContact O-N 3.11Å; V219-V238 WeakPolarHBondContact CA-O 3.37Å; V219-F246 HydrophobicContact CG1-CE2 3.84Å; V219-F246 HydrophobicContact CG1-CZ 4.06Å; V219-F246 HydrophobicContact CG2-CZ 4.21Å | ||
| 220 | K | 91 | Very high | 89.9 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 92.2 | 168.3 | -168 | 172.4 | -177 | 173.7 | 0 | 110.2 | G218 G237 V238 Y320 | G218-K220 PolarHBondContact O-N 2.94Å; K220-G237 WeakPolarHBondContact O-CA 3.28Å; K220-V238 PolarHBondContact N-O 2.93Å; K220-V238 PolarHBondContact O-N 3.05Å; K220-Y320 HydrophobicContact CB-CD1 3.8Å; K220-Y320 HydrophobicContact CB-CE1 3.26Å; K220-Y320 HydrophobicContact CD-CD1 3.73Å; K220-Y320 HydrophobicContact CD-CD2 4.02Å; K220-Y320 HydrophobicContact CD-CE1 3.8Å; K220-Y320 HydrophobicContact CD-CE2 4.06Å; K220-Y320 HydrophobicContact CD-CG 3.83Å; K220-Y320 HydrophobicContact CG-CD1 4.27Å; K220-Y320 HydrophobicContact CG-CE1 4.11Å |
| 221 | S | 90.2 | Very high | 89.2 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 148.8 | -178.9 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | V219 T235 I236 | V219-S221 PolarHBondContact O-N 3.11Å; V219-S221 VanDerWaalsContact O-N 3.11Å; S221-T235 VanDerWaalsContact CB-CG2 3.5Å; S221-I236 CarbonylContact C-O 3.55Å; S221-I236 WeakPolarHBondContact CA-O 3.5Å |
| 222 | H | 90.8 | Very high | 88.7 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142.1 | 169.1 | -82.6 | 44.2 | 0 | 0 | 0 | 109.4 | T235 I236 F308 F317 | H222-T235 CarbonylContact O-C 3.6Å; H222-T235 WeakPolarHBondContact O-CA 3.46Å; H222-I236 HydrophobicContact CB-CG2 4.37Å; H222-I236 PolarHBondContact N-O 3.26Å; H222-I236 PolarHBondContact O-N 3.07Å; H222-F308 HydrophobicContact CB-CD1 4.37Å; H222-F308 HydrophobicContact CB-CE1 3.7Å; H222-F308 AromaticContact CD2-CE1 3.7Å; H222-F308 AromaticContact CG-CE1 3.94Å; H222-F317 HydrophobicContact CB-CD2 4.14Å; H222-F317 HydrophobicContact CB-CE2 4.48Å; H222-F317 AromaticContact CG-CD2 3.92Å |
| 223 | V | 91.6 | Very high | 88.7 | Confident | 85 Ų | 85 | 63 Ų | 63 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.6 | 173.9 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | T233 P309 | V223-T233 HydrophobicContact CG1-CG2 3.47Å; V223-T233 VanDerWaalsContact CG1-CG2 3.47Å; V223-P309 WeakPolarHBondContact O-CD 3.24Å |
| 224 | V | 93.7 | Very high | 88.7 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 169 | -176.8 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | T233 I234 I236 Y306 R307 F308 | V224-T233 WeakPolarHBondContact O-CA 3.23Å; V224-I234 HydrophobicContact CG2-CD1 4.41Å; V224-I234 HydrophobicContact CG2-CG1 3.83Å; V224-I234 PolarHBondContact N-O 3.18Å; V224-I234 PolarHBondContact O-N 2.86Å; V224-I236 HydrophobicContact CB-CG2 4.29Å; V224-I236 HydrophobicContact CG1-CG2 3.53Å; V224-I236 HydrophobicContact CG2-CB 3.92Å; V224-I236 HydrophobicContact CG2-CG2 3.72Å; V224-Y306 HydrophobicContact CG2-CD1 4.44Å; V224-R307 CarbonylContact C-O 3.59Å; V224-R307 WeakPolarHBondContact CA-O 3.49Å; V224-R307 WeakPolarHBondContact CB-O 3.07Å; V224-F308 HydrophobicContact CG1-CB 4.42Å; V224-F308 HydrophobicContact CG1-CD1 3.75Å; V224-F308 HydrophobicContact CG1-CD2 3.62Å; V224-F308 HydrophobicContact CG1-CE1 3.75Å; V224-F308 HydrophobicContact CG1-CE2 3.59Å; V224-F308 HydrophobicContact CG1-CG 3.67Å; V224-F308 HydrophobicContact CG1-CZ 3.65Å |
| 225 | K | 93.4 | Very high | 88.8 | Confident | 100 Ų | 100 | 55 Ų | 55 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.6 | 168.8 | -63.6 | -169.4 | 173.7 | -160.3 | 0 | 110.5 | E227 L231 Q232 R307 | K225-E227 PolarHBondContact O-N 2.7Å; K225-L231 HydrophobicContact CB-CB 4.42Å; K225-L231 HydrophobicContact CB-CD2 4.21Å; K225-L231 HydrophobicContact CD-CB 4.32Å; K225-L231 WeakPolarHBondContact CD-O 3.19Å; K225-Q232 WeakPolarHBondContact CA-O 3.49Å; K225-R307 HydrophobicContact CB-CB 4.42Å; K225-R307 PolarHBondContact N-O 3.37Å; K225-R307 PolarHBondContact O-N 2.95Å |
| 226 | D | 90.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 114.9 | 176.2 | -170.2 | -46.3 | 0 | 0 | 0 | 110.5 | Q228 H229 L231 Q232 I234 Y306 | D226-Q228 PolarHBondContact O-N 3.03Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.44Å; D226-Q228 PolarHBondContact OD1-N 3.31Å; D226-H229 HydrophobicContact CB-CB 4.12Å; D226-H229 IonicContact OD1-CG 3.52Å; D226-H229 PolarHBondContact OD1-N 3.17Å; D226-H229 IonicContact OD1-ND1 2.77Å; D226-H229 PolarHBondContact OD1-ND1 3.12Å; D226-H229 IonicContact OD2-CE1 3.63Å; D226-H229 IonicContact OD2-CG 2.78Å; D226-H229 IonicContact OD2-ND1 3.16Å; D226-H229 PolarHBondContact OD2-ND1 3.24Å; D226-L231 WeakPolarHBondContact O-CA 3.35Å; D226-L231 PolarHBondContact O-N 2.79Å; D226-Q232 PolarHBondContact N-O 2.71Å; D226-I234 HydrophobicContact CB-CD1 4.09Å; D226-I234 HydrophobicContact CB-CG1 4.38Å; D226-Y306 HydrophobicContact CB-CD1 4.43Å; D226-Y306 HydrophobicContact CB-CE1 4.45Å |
| 227 | E | 86.3 | Confident | 89.2 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.2 | -177.4 | -63.6 | -164 | 147.7 | 0 | 0 | 113.9 | K225 L231 R269 H305 R307 | K225-E227 PolarHBondContact O-N 2.7Å; E227-L231 HydrophobicContact CG-CD2 4.12Å; E227-R269 WeakPolarHBondContact OE2-CD 3.43Å; E227-R269 IonicContact OE2-NH1 3.87Å; E227-H305 HydrophobicContact CB-CB 3.94Å; E227-H305 HydrophobicContact CG-CB 4.49Å; E227-H305 PolarHBondContact N-O 3.33Å; E227-R307 HydrophobicContact CG-CB 3.95Å; E227-R307 IonicContact OE1-CZ 2.74Å; E227-R307 IonicContact OE1-NE 3.71Å; E227-R307 PolarHBondContact OE1-NE 3.09Å; E227-R307 IonicContact OE1-NH2 2.72Å; E227-R307 PolarHBondContact OE1-NH2 3.05Å |
| 228 | Q | 79.9 | Confident | 89.3 | Confident | 85 Ų | 85 | 50 Ų | 50 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -40.3 | 174.6 | -63.1 | -175.5 | -1.6 | 0 | 0 | 111.4 | D226 N230 K303 | D226-Q228 PolarHBondContact O-N 3.03Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.44Å; D226-Q228 PolarHBondContact OD1-N 3.31Å; Q228-N230 PolarHBondContact O-N 3.18Å; Q228-K303 PolarHBondContact NE2-O 2.95Å |
| 229 | H | 78.2 | Confident | 89.3 | Confident | 98 Ų | 98 | 49.8 Ų | 49.8 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 65.2 | 179.1 | -57 | 98 | 0 | 0 | 0 | 112 | D226 L231 Q232 | D226-H229 HydrophobicContact CB-CB 4.12Å; D226-H229 IonicContact OD1-CG 3.52Å; D226-H229 PolarHBondContact OD1-N 3.17Å; D226-H229 IonicContact OD1-ND1 2.77Å; D226-H229 PolarHBondContact OD1-ND1 3.12Å; D226-H229 IonicContact OD2-CE1 3.63Å; D226-H229 IonicContact OD2-CG 2.78Å; D226-H229 IonicContact OD2-ND1 3.16Å; D226-H229 PolarHBondContact OD2-ND1 3.24Å; H229-L231 VanDerWaalsContact C-N 3.26Å; H229-L231 PolarHBondContact O-N 3.5Å; H229-L231 VanDerWaalsContact O-N 3.08Å; H229-Q232 WeakPolarHBondContact O-CB 3.41Å; H229-Q232 PolarHBondContact O-N 2.66Å |
| 230 | N | 79 | Confident | 89.1 | Confident | 161 Ų | 161 | 51 Ų | 51 | 86% | 0.861 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 34.3 | 171.8 | -71.3 | -19.9 | 0 | 0 | 0 | 115.8 | Q228 Q232 | Q228-N230 PolarHBondContact O-N 3.18Å; N230-Q232 PolarHBondContact O-N 3.4Å |
| 231 | L | 80.9 | Confident | 89 | Confident | 82 Ų | 82 | 51.2 Ų | 51.2 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 25.4 | -176.4 | -64.7 | 171.5 | 0 | 0 | 0 | 113.9 | K225 D226 E227 H229 T233 | K225-L231 HydrophobicContact CB-CB 4.42Å; K225-L231 HydrophobicContact CB-CD2 4.21Å; K225-L231 HydrophobicContact CD-CB 4.32Å; K225-L231 WeakPolarHBondContact CD-O 3.19Å; D226-L231 WeakPolarHBondContact O-CA 3.35Å; D226-L231 PolarHBondContact O-N 2.79Å; E227-L231 HydrophobicContact CG-CD2 4.12Å; H229-L231 VanDerWaalsContact C-N 3.26Å; H229-L231 PolarHBondContact O-N 3.5Å; H229-L231 VanDerWaalsContact O-N 3.08Å; L231-T233 PolarHBondContact O-N 3.12Å |
| 232 | Q | 86.2 | Confident | 89 | Confident | 83 Ų | 83 | 48.9 Ų | 48.9 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | trans | -60.8 | 132.6 | 178.1 | -171.9 | 167.5 | 25.1 | 0 | 0 | 110.7 | K225 D226 H229 N230 I234 | K225-Q232 WeakPolarHBondContact CA-O 3.49Å; D226-Q232 PolarHBondContact N-O 2.71Å; H229-Q232 WeakPolarHBondContact O-CB 3.41Å; H229-Q232 PolarHBondContact O-N 2.66Å; N230-Q232 PolarHBondContact O-N 3.4Å; Q232-I234 PolarHBondContact O-N 3.21Å | ||
| 233 | T | 90.9 | Very high | 89.2 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 122 | 176 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | V223 V224 L231 | V223-T233 HydrophobicContact CG1-CG2 3.47Å; V223-T233 VanDerWaalsContact CG1-CG2 3.47Å; V224-T233 WeakPolarHBondContact O-CA 3.23Å; L231-T233 PolarHBondContact O-N 3.12Å |
| 234 | I | 92.9 | Very high | 89.3 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 165.6 | 174.4 | 59.8 | 166.5 | 0 | 0 | 0 | 109.3 | V224 D226 Q232 L245 L252 Y306 | V224-I234 HydrophobicContact CG2-CD1 4.41Å; V224-I234 HydrophobicContact CG2-CG1 3.83Å; V224-I234 PolarHBondContact N-O 3.18Å; V224-I234 PolarHBondContact O-N 2.86Å; D226-I234 HydrophobicContact CB-CD1 4.09Å; D226-I234 HydrophobicContact CB-CG1 4.38Å; Q232-I234 PolarHBondContact O-N 3.21Å; I234-L245 HydrophobicContact CD1-CB 4.46Å; I234-L245 HydrophobicContact CD1-CD1 4.17Å; I234-L245 HydrophobicContact CD1-CD2 4.09Å; I234-L245 HydrophobicContact CD1-CG 4.48Å; I234-L252 HydrophobicContact CG2-CD1 4.36Å; I234-Y306 HydrophobicContact CD1-CD1 3.93Å; I234-Y306 HydrophobicContact CD1-CE1 3.79Å |
| 235 | T | 93 | Very high | 89.3 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.2 | 172.6 | -68.1 | 0 | 0 | 0 | 0 | 109.2 | S221 H222 L245 F246 | S221-T235 VanDerWaalsContact CB-CG2 3.5Å; H222-T235 CarbonylContact O-C 3.6Å; H222-T235 WeakPolarHBondContact O-CA 3.46Å; T235-L245 CarbonylContact O-C 3.57Å; T235-L245 WeakPolarHBondContact O-CA 3.46Å; T235-F246 HydrophobicContact CG2-CD2 4.49Å; T235-F246 PolarHBondContact N-O 3.06Å; T235-F246 PolarHBondContact O-N 2.98Å |
| 236 | I | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.6 | 173.5 | -168.5 | 175.5 | 0 | 0 | 0 | 109.3 | S221 H222 V224 I243 S244 L245 F270 Y306 F308 F317 | S221-I236 CarbonylContact C-O 3.55Å; S221-I236 WeakPolarHBondContact CA-O 3.5Å; H222-I236 HydrophobicContact CB-CG2 4.37Å; H222-I236 PolarHBondContact N-O 3.26Å; H222-I236 PolarHBondContact O-N 3.07Å; V224-I236 HydrophobicContact CB-CG2 4.29Å; V224-I236 HydrophobicContact CG1-CG2 3.53Å; V224-I236 HydrophobicContact CG2-CB 3.92Å; V224-I236 HydrophobicContact CG2-CG2 3.72Å; I236-I243 HydrophobicContact CD1-CG2 3.87Å; I236-I243 HydrophobicContact CG1-CG2 3.71Å; I236-S244 CarbonylContact C-O 3.59Å; I236-L245 HydrophobicContact CB-CD2 4.25Å; I236-L245 HydrophobicContact CD1-CD2 4.3Å; I236-L245 HydrophobicContact CG1-CD2 3.85Å; I236-F270 HydrophobicContact CD1-CD1 4.07Å; I236-F270 HydrophobicContact CD1-CE1 4.21Å; I236-Y306 HydrophobicContact CD1-CD2 3.65Å; I236-Y306 HydrophobicContact CD1-CE2 4.15Å; I236-Y306 HydrophobicContact CD1-CG 4.07Å; I236-F308 HydrophobicContact CG2-CE1 4.33Å; I236-F308 HydrophobicContact CG2-CE2 4.27Å; I236-F308 HydrophobicContact CG2-CZ 3.67Å; I236-F317 HydrophobicContact CB-CZ 4.34Å; I236-F317 HydrophobicContact CD1-CE1 4.04Å; I236-F317 HydrophobicContact CD1-CZ 3.98Å; I236-F317 HydrophobicContact CG1-CE1 4.33Å; I236-F317 HydrophobicContact CG1-CZ 3.76Å; I236-F317 HydrophobicContact CG2-CE1 4.45Å; I236-F317 HydrophobicContact CG2-CE2 3.89Å; I236-F317 HydrophobicContact CG2-CZ 3.85Å |
| 237 | G | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K220 I243 S244 | K220-G237 WeakPolarHBondContact O-CA 3.28Å; G237-I243 CarbonylContact O-C 3.56Å; G237-I243 VanDerWaalsContact O-CA 3.29Å; G237-I243 WeakPolarHBondContact O-CA 3.19Å; G237-I243 WeakPolarHBondContact O-CG2 3.44Å; G237-S244 PolarHBondContact N-O 3.46Å; G237-S244 PolarHBondContact O-N 3.11Å |
| 238 | V | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.2 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | V219 K220 W257 F317 Y320 A321 C324 | V219-V238 WeakPolarHBondContact CA-O 3.37Å; K220-V238 PolarHBondContact N-O 2.93Å; K220-V238 PolarHBondContact O-N 3.05Å; V238-W257 HydrophobicContact CG1-CH2 4.06Å; V238-W257 HydrophobicContact CG1-CZ2 3.79Å; V238-F317 HydrophobicContact CG2-CD2 4.45Å; V238-F317 HydrophobicContact CG2-CE1 3.87Å; V238-F317 HydrophobicContact CG2-CE2 3.69Å; V238-F317 HydrophobicContact CG2-CZ 3.33Å; V238-Y320 HydrophobicContact CB-CD1 3.9Å; V238-Y320 HydrophobicContact CB-CE1 3.92Å; V238-Y320 HydrophobicContact CG1-CD1 4.11Å; V238-Y320 HydrophobicContact CG1-CE1 4.11Å; V238-Y320 HydrophobicContact CG2-CD1 4.26Å; V238-A321 HydrophobicContact CG1-CB 4.42Å; V238-A321 HydrophobicContact CG2-CB 3.98Å; V238-C324 HydrophobicContact CG1-CB 3.84Å |
| 239 | S | 92.8 | Very high | 89 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | trans | -136.7 | -171.1 | 174.3 | 73.7 | 0 | 0 | 0 | 0 | 111.9 | I241 G242 W257 | S239-I241 PolarHBondContact O-N 3.31Å; S239-I241 PolarHBondContact OG-N 3.04Å; S239-G242 PolarHBondContact N-O 3.04Å; S239-W257 PolarHBondContact O-NE1 2.78Å | ||
| 240 | F | 88.8 | Confident | 89.3 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 19% | 0.189 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -62.3 | -27.8 | 170.4 | 61.6 | -100.5 | 0 | 0 | 0 | 113.3 | P112 Y217 W257 F328 | P112-F240 HydrophobicContact CB-CD2 3.91Å; P112-F240 HydrophobicContact CB-CE1 4.36Å; P112-F240 HydrophobicContact CB-CE2 3.57Å; P112-F240 HydrophobicContact CB-CG 4.4Å; P112-F240 HydrophobicContact CB-CZ 3.85Å; P112-F240 HydrophobicContact CG-CB 4.26Å; P112-F240 HydrophobicContact CG-CD1 4.27Å; P112-F240 HydrophobicContact CG-CD2 3.48Å; P112-F240 VanDerWaalsContact CG-CD2 3.48Å; P112-F240 HydrophobicContact CG-CE2 3.72Å; P112-F240 HydrophobicContact CG-CG 3.76Å; P112-F240 HydrophobicContact CG-CZ 4.26Å; Y217-F240 HydrophobicContact CD1-CE1 4.1Å; Y217-F240 HydrophobicContact CE1-CE1 4.23Å; F240-W257 VanDerWaalsContact O-CD1 3.28Å; F240-W257 PolarHBondContact O-NE1 2.87Å; F240-F328 HydrophobicContact CB-CD1 3.89Å; F240-F328 HydrophobicContact CB-CD2 4.02Å; F240-F328 HydrophobicContact CB-CE1 3.62Å; F240-F328 HydrophobicContact CB-CE2 3.77Å; F240-F328 HydrophobicContact CB-CG 4.12Å; F240-F328 HydrophobicContact CB-CZ 3.57Å |
| 241 | I | 87.3 | Confident | 89.6 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 30% | 0.297 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -74.2 | -44.5 | -177.1 | -51.8 | 175.6 | 0 | 0 | 0 | 110.5 | S239 Q254 S256 W257 | S239-I241 PolarHBondContact O-N 3.31Å; S239-I241 PolarHBondContact OG-N 3.04Å; I241-Q254 HydrophobicContact CG2-CG 4.12Å; I241-S256 WeakPolarHBondContact O-CA 3.45Å; I241-W257 VanDerWaalsContact C-CD1 3.42Å; I241-W257 PolarHBondContact O-N 3.46Å |
| 242 | G | 90.8 | Very high | 90 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -141.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113 | S239 Y255 | S239-G242 PolarHBondContact N-O 3.04Å; G242-Y255 VanDerWaalsContact CA-O 3.27Å; G242-Y255 WeakPolarHBondContact CA-O 3.31Å |
| 243 | I | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.1 | 175.4 | -57.7 | -178.4 | 0 | 0 | 0 | 108.8 | I236 G237 Y255 W257 I260 I263 F270 I272 | I236-I243 HydrophobicContact CD1-CG2 3.87Å; I236-I243 HydrophobicContact CG1-CG2 3.71Å; G237-I243 CarbonylContact O-C 3.56Å; G237-I243 VanDerWaalsContact O-CA 3.29Å; G237-I243 WeakPolarHBondContact O-CA 3.19Å; G237-I243 WeakPolarHBondContact O-CG2 3.44Å; I243-Y255 PolarHBondContact N-O 2.95Å; I243-Y255 WeakPolarHBondContact O-CB 3.34Å; I243-Y255 PolarHBondContact O-N 2.93Å; I243-W257 HydrophobicContact CD1-CH2 4.32Å; I243-W257 HydrophobicContact CD1-CZ3 4.22Å; I243-W257 HydrophobicContact CG1-CH2 3.95Å; I243-W257 HydrophobicContact CG1-CZ3 4.1Å; I243-I260 HydrophobicContact CB-CD1 4.4Å; I243-I260 HydrophobicContact CD1-CD1 4.1Å; I243-I260 HydrophobicContact CG1-CD1 4.09Å; I243-I263 HydrophobicContact CD1-CG2 3.91Å; I243-F270 HydrophobicContact CD1-CE1 3.93Å; I243-F270 HydrophobicContact CD1-CZ 3.89Å; I243-I272 HydrophobicContact CB-CD1 4.24Å; I243-I272 HydrophobicContact CD1-CD1 4.13Å; I243-I272 HydrophobicContact CD1-CG1 4.37Å; I243-I272 HydrophobicContact CG2-CD1 3.88Å |
| 244 | S | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.8 | -176 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | I236 G237 Q253 Q254 | I236-S244 CarbonylContact C-O 3.59Å; G237-S244 PolarHBondContact N-O 3.46Å; G237-S244 PolarHBondContact O-N 3.11Å; S244-Q253 CarbonylContact C-O 3.56Å; S244-Q253 WeakPolarHBondContact CA-O 3.31Å; S244-Q254 WeakPolarHBondContact OG-CG 3.36Å; S244-Q254 PolarHBondContact OG-OE1 3.42Å |
| 245 | L | 93.8 | Very high | 90 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.2 | 177.1 | -51.3 | -175.7 | 0 | 0 | 0 | 109.6 | I234 T235 I236 L252 Q253 Y255 Y306 | I234-L245 HydrophobicContact CD1-CB 4.46Å; I234-L245 HydrophobicContact CD1-CD1 4.17Å; I234-L245 HydrophobicContact CD1-CD2 4.09Å; I234-L245 HydrophobicContact CD1-CG 4.48Å; T235-L245 CarbonylContact O-C 3.57Å; T235-L245 WeakPolarHBondContact O-CA 3.46Å; I236-L245 HydrophobicContact CB-CD2 4.25Å; I236-L245 HydrophobicContact CD1-CD2 4.3Å; I236-L245 HydrophobicContact CG1-CD2 3.85Å; L245-L252 HydrophobicContact CB-CB 4.44Å; L245-L252 PolarHBondContact O-N 3.12Å; L245-Q253 HydrophobicContact CB-CB 4.33Å; L245-Q253 HydrophobicContact CD1-CB 4.15Å; L245-Q253 HydrophobicContact CG-CB 4.3Å; L245-Q253 PolarHBondContact N-O 3.46Å; L245-Q253 PolarHBondContact O-N 2.91Å; L245-Y255 HydrophobicContact CD1-CE2 3.95Å; L245-Y255 HydrophobicContact CD2-CE2 4.32Å; L245-Y255 HydrophobicContact CG-CE2 3.99Å; L245-Y306 HydrophobicContact CD1-CE1 4.2Å; L245-Y306 WeakPolarHBondContact CD1-OH 3.46Å; L245-Y306 HydrophobicContact CD2-CE1 4.16Å; L245-Y306 HydrophobicContact CD2-CE2 4.36Å |
| 246 | F | 91.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150 | -179.2 | -53.3 | -101.5 | 0 | 0 | 0 | 111.4 | D215 H216 V219 T235 K250 M251 | D215-F246 HydrophobicContact CB-CE1 4.06Å; H216-F246 AromaticContact CE1-CD1 3.28Å; H216-F246 WeakPolarHBondContact CE1-CD1 3.35Å; H216-F246 AromaticContact CE1-CE1 3.56Å; H216-F246 AromaticContact CE1-CG 3.73Å; H216-F246 AromaticContact ND1-CE1 3.9Å; H216-F246 AromaticContact NE2-CD1 3.49Å; H216-F246 WeakPolarHBondContact NE2-CD1 3.08Å; H216-F246 AromaticContact NE2-CE1 3.71Å; V219-F246 HydrophobicContact CG1-CE2 3.84Å; V219-F246 HydrophobicContact CG1-CZ 4.06Å; V219-F246 HydrophobicContact CG2-CZ 4.21Å; T235-F246 HydrophobicContact CG2-CD2 4.49Å; T235-F246 PolarHBondContact N-O 3.06Å; T235-F246 PolarHBondContact O-N 2.98Å; F246-K250 CarbonylContact C-O 3.55Å; F246-K250 WeakPolarHBondContact CA-O 3.48Å; F246-M251 HydrophobicContact CD1-CB 3.88Å; F246-M251 HydrophobicContact CD1-CG 4.46Å; F246-M251 HydrophobicContact CE1-CB 3.8Å; F246-M251 HydrophobicContact CE1-CG 4.19Å |
| 247 | R | 89 | Confident | 89.4 | Confident | 71 Ų | 71 | 45.4 Ų | 45.4 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.3 | 171.2 | -177.1 | -176.4 | -59.4 | 162.6 | 3.9 | 108 | N249 K250 L252 | R247-N249 PolarHBondContact O-N 2.98Å; R247-K250 PolarHBondContact N-O 2.87Å; R247-K250 PolarHBondContact O-N 2.61Å; R247-L252 HydrophobicContact CB-CD1 3.63Å; R247-L252 HydrophobicContact CB-CD2 4.14Å; R247-L252 HydrophobicContact CB-CG 3.9Å |
| 248 | D | 83.9 | Confident | 88.9 | Confident | 142 Ų | 142 | 49.3 Ų | 49.3 | 76% | 0.759 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 42.6 | -178 | -44.3 | -36 | 0 | 0 | 0 | 112.1 | K250 | D248-K250 PolarHBondContact O-N 2.59Š|
| 249 | N | 79.1 | Confident | 88.5 | Confident | 101 Ų | 101 | 53.8 Ų | 53.8 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 0.5 | -171.8 | -65.5 | -16.7 | 0 | 0 | 0 | 117.3 | H216 R247 | H216-N249 PolarHBondContact NE2-O 3.37Å; R247-N249 PolarHBondContact O-N 2.98Å |
| 250 | K | 84 | Confident | 88.2 | Confident | 156 Ų | 156 | 54.2 Ų | 54.2 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 138.7 | 172.9 | -63.5 | 174.6 | -178.5 | 174.9 | 0 | 110.8 | F246 R247 D248 L252 | F246-K250 CarbonylContact C-O 3.55Å; F246-K250 WeakPolarHBondContact CA-O 3.48Å; R247-K250 PolarHBondContact N-O 2.87Å; R247-K250 PolarHBondContact O-N 2.61Å; D248-K250 PolarHBondContact O-N 2.59Å; K250-L252 PolarHBondContact O-N 3.48Å |
| 251 | M | 86.6 | Confident | 88.1 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 123.2 | 170.9 | -175.9 | 165.6 | 51.4 | 0 | 0 | 110.2 | D215 F246 Q254 | D215-M251 HydrophobicContact CB-CB 4.37Å; F246-M251 HydrophobicContact CD1-CB 3.88Å; F246-M251 HydrophobicContact CD1-CG 4.46Å; F246-M251 HydrophobicContact CE1-CB 3.8Å; F246-M251 HydrophobicContact CE1-CG 4.19Å; M251-Q254 HydrophobicContact SD-CB 3.96Å |
| 252 | L | 88.3 | Confident | 88.3 | Confident | 84 Ų | 84 | 58 Ų | 58 | 44% | 0.44 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -44.6 | 175.8 | -67.9 | -178.7 | 0 | 0 | 0 | 112 | I234 L245 R247 K250 | I234-L252 HydrophobicContact CG2-CD1 4.36Å; L245-L252 HydrophobicContact CB-CB 4.44Å; L245-L252 PolarHBondContact O-N 3.12Å; R247-L252 HydrophobicContact CB-CD1 3.63Å; R247-L252 HydrophobicContact CB-CD2 4.14Å; R247-L252 HydrophobicContact CB-CG 3.9Å; K250-L252 PolarHBondContact O-N 3.48Å |
| 253 | Q | 88.7 | Confident | 88.4 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 142.7 | -169.6 | -178.6 | 58.6 | 53 | 0 | 0 | 109.5 | S244 L245 Y255 | S244-Q253 CarbonylContact C-O 3.56Å; S244-Q253 WeakPolarHBondContact CA-O 3.31Å; L245-Q253 HydrophobicContact CB-CB 4.33Å; L245-Q253 HydrophobicContact CD1-CB 4.15Å; L245-Q253 HydrophobicContact CG-CB 4.3Å; L245-Q253 PolarHBondContact N-O 3.46Å; L245-Q253 PolarHBondContact O-N 2.91Å; Q253-Y255 HydrophobicContact CG-CD1 4.07Å; Q253-Y255 HydrophobicContact CG-CE1 3.46Å; Q253-Y255 VanDerWaalsContact CG-CE1 3.46Å; Q253-Y255 HydrophobicContact CG-CE2 4.12Å |
| 254 | Q | 90.3 | Very high | 88.3 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.7 | 175.2 | -178.9 | 155.6 | -106.4 | 0 | 0 | 110.1 | I241 S244 M251 | I241-Q254 HydrophobicContact CG2-CG 4.12Å; S244-Q254 WeakPolarHBondContact OG-CG 3.36Å; S244-Q254 PolarHBondContact OG-OE1 3.42Å; M251-Q254 HydrophobicContact SD-CB 3.96Å |
| 255 | Y | 91.1 | Very high | 88.2 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 97.6 | 177.9 | -54.8 | -61.1 | 0 | 0 | 0 | 109 | G242 I243 L245 Q253 I272 F274 Y306 | G242-Y255 VanDerWaalsContact CA-O 3.27Å; G242-Y255 WeakPolarHBondContact CA-O 3.31Å; I243-Y255 PolarHBondContact N-O 2.95Å; I243-Y255 WeakPolarHBondContact O-CB 3.34Å; I243-Y255 PolarHBondContact O-N 2.93Å; L245-Y255 HydrophobicContact CD1-CE2 3.95Å; L245-Y255 HydrophobicContact CD2-CE2 4.32Å; L245-Y255 HydrophobicContact CG-CE2 3.99Å; Q253-Y255 HydrophobicContact CG-CD1 4.07Å; Q253-Y255 HydrophobicContact CG-CE1 3.46Å; Q253-Y255 VanDerWaalsContact CG-CE1 3.46Å; Q253-Y255 HydrophobicContact CG-CE2 4.12Å; Y255-I272 HydrophobicContact CD2-CD1 3.75Å; Y255-I272 HydrophobicContact CE2-CD1 4.03Å; Y255-F274 AromaticContact CD1-CE1 3.43Å; Y255-F274 HydrophobicContact CD1-CE1 3.43Å; Y255-F274 VanDerWaalsContact CD1-CE1 3.43Å; Y255-F274 AromaticContact CD1-CZ 3.64Å; Y255-F274 HydrophobicContact CD1-CZ 3.64Å; Y255-F274 HydrophobicContact CD2-CE1 4.46Å; Y255-F274 HydrophobicContact CD2-CZ 4.32Å; Y255-F274 AromaticContact CE1-CE1 3.87Å; Y255-F274 HydrophobicContact CE1-CE1 3.87Å; Y255-F274 AromaticContact CE1-CZ 3.59Å; Y255-F274 HydrophobicContact CE1-CZ 3.59Å; Y255-F274 HydrophobicContact CE2-CZ 4.27Å; Y255-F274 AromaticContact CG-CE1 3.76Å; Y255-F274 HydrophobicContact CG-CE1 3.76Å; Y255-F274 HydrophobicContact CG-CZ 4.01Å; Y255-F274 AromaticContact CZ-CZ 3.92Å; Y255-Y306 PolarHBondContact OH-OH 3.15Å |
| 256 | S | 88.4 | Confident | 88.1 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 144.7 | 173.7 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | I241 D258 N259 I260 | I241-S256 WeakPolarHBondContact O-CA 3.45Å; S256-D258 PolarHBondContact O-N 3.46Å; S256-D258 PolarHBondContact OG-N 2.85Å; S256-D258 VanDerWaalsContact OG-N 3.12Å; S256-D258 PolarHBondContact OG-OD2 3.35Å; S256-N259 PolarHBondContact O-N 3.07Å; S256-I260 PolarHBondContact O-N 3.15Å |
| 257 | W | 87.6 | Confident | 88.1 | Confident | 7 Ų | 7 | 74 Ų | 74 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -25.9 | 168.6 | -64.4 | 120.4 | 0 | 0 | 0 | 113.1 | V238 S239 F240 I241 I243 N259 I260 A321 C324 H325 R329 | V238-W257 HydrophobicContact CG1-CH2 4.06Å; V238-W257 HydrophobicContact CG1-CZ2 3.79Å; S239-W257 PolarHBondContact O-NE1 2.78Å; F240-W257 VanDerWaalsContact O-CD1 3.28Å; F240-W257 PolarHBondContact O-NE1 2.87Å; I241-W257 VanDerWaalsContact C-CD1 3.42Å; I241-W257 PolarHBondContact O-N 3.46Å; I243-W257 HydrophobicContact CD1-CH2 4.32Å; I243-W257 HydrophobicContact CD1-CZ3 4.22Å; I243-W257 HydrophobicContact CG1-CH2 3.95Å; I243-W257 HydrophobicContact CG1-CZ3 4.1Å; W257-N259 VanDerWaalsContact C-N 3.33Å; W257-N259 PolarHBondContact O-N 3.3Å; W257-I260 HydrophobicContact CE3-CD1 4.01Å; W257-I260 HydrophobicContact CZ3-CD1 4.23Å; W257-A321 HydrophobicContact CH2-CB 4.25Å; W257-A321 WeakPolarHBondContact CH2-O 3.39Å; W257-C324 HydrophobicContact CZ2-CB 4.04Å; W257-H325 HydrophobicContact CD2-CB 4.19Å; W257-H325 AromaticContact CD2-CD2 3.95Å; W257-H325 HydrophobicContact CE3-CB 3.98Å; W257-H325 AromaticContact CE3-CD2 3.72Å; W257-H325 HydrophobicContact CH2-CB 4.13Å; W257-H325 HydrophobicContact CZ2-CB 4.32Å; W257-H325 HydrophobicContact CZ3-CB 3.95Å; W257-R329 HydrophobicContact CB-CG 3.93Å; W257-R329 HydrophobicContact CG-CG 4.14Å |
| 258 | D | 82.5 | Confident | 88.4 | Confident | 81 Ų | 81 | 76 Ų | 76 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.8 | 174.8 | -64.3 | -63.9 | 0 | 0 | 0 | 113.7 | S256 K275 R329 | S256-D258 PolarHBondContact O-N 3.46Å; S256-D258 PolarHBondContact OG-N 2.85Å; S256-D258 VanDerWaalsContact OG-N 3.12Å; S256-D258 PolarHBondContact OG-OD2 3.35Å; D258-K275 VanDerWaalsContact O-CD 3.32Å; D258-K275 WeakPolarHBondContact O-CD 2.95Å; D258-K275 VanDerWaalsContact O-CE 3.29Å; D258-K275 WeakPolarHBondContact O-CE 3.44Å; D258-K275 PolarHBondContact O-NZ 3.08Å; D258-R329 IonicContact OD1-CZ 2.7Å; D258-R329 IonicContact OD1-NH1 3.55Å; D258-R329 PolarHBondContact OD1-NH1 3.47Å; D258-R329 IonicContact OD1-NH2 2.69Å; D258-R329 IonicContact OD2-CZ 3.32Å; D258-R329 IonicContact OD2-NH1 3.94Å; D258-R329 PolarHBondContact OD2-NH1 3.28Å; D258-R329 VanDerWaalsContact OD2-NH1 3.09Å; D258-R329 IonicContact OD2-NH2 3.77Å; D258-R329 PolarHBondContact OD2-NH2 3.5Å |
| 259 | N | 85.9 | Confident | 88.9 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -19.6 | -176 | -64.5 | -2.5 | 0 | 0 | 0 | 112.4 | S256 W257 F274 K275 | S256-N259 PolarHBondContact O-N 3.07Å; W257-N259 VanDerWaalsContact C-N 3.33Å; W257-N259 PolarHBondContact O-N 3.3Å; N259-F274 CarbonylContact O-C 3.53Å; N259-F274 WeakPolarHBondContact O-CA 3.47Å; N259-K275 PolarHBondContact O-N 3.31Å |
| 260 | I | 86.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 68.9 Ų | 68.9 | 8% | 0.077 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 124.9 | -178 | -63.2 | 172.9 | 0 | 0 | 0 | 109.6 | I243 S256 W257 I263 I272 F274 K275 | I243-I260 HydrophobicContact CB-CD1 4.4Å; I243-I260 HydrophobicContact CD1-CD1 4.1Å; I243-I260 HydrophobicContact CG1-CD1 4.09Å; S256-I260 PolarHBondContact O-N 3.15Å; W257-I260 HydrophobicContact CE3-CD1 4.01Å; W257-I260 HydrophobicContact CZ3-CD1 4.23Å; I260-I263 HydrophobicContact CG2-CG2 3.89Å; I260-I272 HydrophobicContact CD1-CG2 4.19Å; I260-I272 HydrophobicContact CG1-CG2 3.85Å; I260-I272 HydrophobicContact CG2-CG2 4.15Å; I260-F274 HydrophobicContact CG1-CE1 4.45Å; I260-K275 WeakPolarHBondContact O-CE 3.34Å |
| 261 | S | 86.9 | Confident | 90.1 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -35.2 | 173.7 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | H273 F274 | S261-H273 PolarHBondContact N-O 2.84Å; S261-H273 VanDerWaalsContact OG-C 3.24Å; S261-H273 WeakPolarHBondContact OG-CB 3.5Å; S261-H273 PolarHBondContact OG-O 3.14Å; S261-H273 VanDerWaalsContact OG-O 3.09Å; S261-F274 WeakPolarHBondContact CB-O 3.33Å; S261-F274 VanDerWaalsContact OG-C 3.29Å; S261-F274 PolarHBondContact OG-O 2.93Å |
| 262 | K | 90.3 | Very high | 90.4 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 144.4 | -179.6 | -172.5 | 172.4 | -175.8 | 172.3 | 0 | 111.1 | H273 | K262-H273 HydrophobicContact CB-CB 4.07Å; K262-H273 PolarHBondContact N-O 2.99Å; K262-H273 PolarHBondContact O-CD2 3.5Å; K262-H273 PolarHBondContact O-N 2.88Å |
| 263 | I | 92.5 | Very high | 90.5 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 137.5 | 162.8 | 53.3 | 171.5 | 0 | 0 | 0 | 109.9 | I243 I260 F270 T271 W318 A321 V322 | I243-I263 HydrophobicContact CD1-CG2 3.91Å; I260-I263 HydrophobicContact CG2-CG2 3.89Å; I263-F270 HydrophobicContact CB-CE2 4.26Å; I263-F270 HydrophobicContact CB-CZ 3.91Å; I263-F270 HydrophobicContact CD1-CZ 4.45Å; I263-F270 HydrophobicContact CG2-CE1 4.42Å; I263-F270 HydrophobicContact CG2-CZ 3.88Å; I263-T271 WeakPolarHBondContact CA-O 3.31Å; I263-W318 PolarHBondContact O-NE1 3.02Å; I263-A321 HydrophobicContact CD1-CB 3.56Å; I263-V322 HydrophobicContact CD1-CG2 3.9Å; I263-V322 HydrophobicContact CG1-CG2 4.42Å |
| 264 | N | 92.4 | Very high | 90.5 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 173 | 174.4 | 81.6 | 31.6 | 0 | 0 | 0 | 111.6 | F270 T271 H273 | N264-F270 WeakPolarHBondContact O-CD2 3.44Å; N264-T271 PolarHBondContact N-O 3.03Å; N264-T271 PolarHBondContact O-N 2.92Å; N264-T271 VanDerWaalsContact OD1-CB 3.28Å; N264-T271 WeakPolarHBondContact OD1-CB 3.41Å; N264-T271 PolarHBondContact OD1-OG1 3.24Å; N264-H273 PolarHBondContact ND2-NE2 3.23Å |
| 265 | F | 92.2 | Very high | 90.1 | Very high | 63 Ų | 63 | 56 Ų | 56 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 155.4 | 165 | 74 | -72.7 | 0 | 0 | 0 | 111.6 | R269 F270 T314 K315 W318 | F265-R269 CarbonylContact C-O 3.54Å; F265-R269 WeakPolarHBondContact CA-O 3.35Å; F265-R269 WeakPolarHBondContact CB-O 3.44Å; F265-F270 HydrophobicContact CB-CD2 4.47Å; F265-T314 HydrophobicContact CB-CG2 3.5Å; F265-T314 VanDerWaalsContact CB-CG2 3.5Å; F265-T314 HydrophobicContact CD2-CG2 4.09Å; F265-T314 HydrophobicContact CG-CG2 4.1Å; F265-K315 HydrophobicContact CD2-CB 4.5Å; F265-K315 HydrophobicContact CE1-CG 4.35Å; F265-K315 HydrophobicContact CE2-CB 3.73Å; F265-K315 HydrophobicContact CE2-CD 4.47Å; F265-K315 HydrophobicContact CE2-CG 4.16Å; F265-K315 HydrophobicContact CZ-CB 3.77Å; F265-K315 HydrophobicContact CZ-CD 3.99Å; F265-K315 HydrophobicContact CZ-CG 3.67Å; F265-W318 HydrophobicContact CD1-CB 3.8Å; F265-W318 AromaticContact CD1-CD2 3.71Å; F265-W318 HydrophobicContact CD1-CD2 3.71Å; F265-W318 HydrophobicContact CD1-CE3 4.07Å; F265-W318 AromaticContact CD1-CG 3.56Å; F265-W318 HydrophobicContact CD1-CG 3.56Å; F265-W318 HydrophobicContact CE1-CB 4.34Å; F265-W318 AromaticContact CE1-CD2 3.7Å; F265-W318 HydrophobicContact CE1-CD2 3.7Å; F265-W318 AromaticContact CE1-CE3 3.58Å; F265-W318 HydrophobicContact CE1-CE3 3.58Å; F265-W318 HydrophobicContact CE1-CG 4.04Å; F265-W318 HydrophobicContact CE1-CZ3 4.17Å; F265-W318 HydrophobicContact CG-CB 4.43Å |
| 266 | K | 92.1 | Very high | 89 | Confident | 169 Ų | 169 | 59.5 Ų | 59.5 | 74% | 0.735 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 118.6 | 168.6 | -174 | 173.4 | -178.2 | 175.4 | 0 | 108.8 | K268 R269 | K266-K268 PolarHBondContact O-N 2.88Å; K266-R269 PolarHBondContact N-O 2.83Å; K266-R269 PolarHBondContact O-N 3.39Å; K266-R269 VanDerWaalsContact O-N 3.12Å |
| 267 | G | 92.6 | Very high | 87.3 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -131 | -173 | 0 | 0 | 0 | 0 | 0 | 111.3 | R269 A311 T314 | G267-R269 VanDerWaalsContact C-N 3.25Å; G267-R269 PolarHBondContact O-N 3.45Å; G267-A311 WeakPolarHBondContact O-CA 3.44Å; G267-T314 PolarHBondContact O-OG1 2.83Å |
| 268 | K | 93.6 | Very high | 84.8 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 48% | 0.483 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 0.2 | 177.8 | -55.7 | -162.6 | 175.7 | -161.9 | 0 | 114.6 | K266 R307 F308 P309 T314 | K266-K268 PolarHBondContact O-N 2.88Å; K268-R307 HydrophobicContact CB-CG 4.31Å; K268-R307 CarbonylContact O-C 3.51Å; K268-R307 WeakPolarHBondContact O-CA 3.46Å; K268-F308 PolarHBondContact O-N 3.34Å; K268-P309 WeakPolarHBondContact CD-O 3.37Å; K268-P309 WeakPolarHBondContact CE-O 3.27Å; K268-P309 PolarHBondContact NZ-O 2.84Å; K268-T314 WeakPolarHBondContact CA-OG1 3.38Å; K268-T314 PolarHBondContact O-OG1 3.16Å |
| 269 | R | 94.4 | Very high | 82.6 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.2 | -172.1 | -176.6 | 175.1 | 72.9 | 175.3 | 1 | 112 | E227 F265 K266 G267 Y306 | E227-R269 WeakPolarHBondContact OE2-CD 3.43Å; E227-R269 IonicContact OE2-NH1 3.87Å; F265-R269 CarbonylContact C-O 3.54Å; F265-R269 WeakPolarHBondContact CA-O 3.35Å; F265-R269 WeakPolarHBondContact CB-O 3.44Å; K266-R269 PolarHBondContact N-O 2.83Å; K266-R269 PolarHBondContact O-N 3.39Å; K266-R269 VanDerWaalsContact O-N 3.12Å; G267-R269 VanDerWaalsContact C-N 3.25Å; G267-R269 PolarHBondContact O-N 3.45Å; R269-Y306 WeakPolarHBondContact CA-O 3.39Å |
| 270 | F | 95.1 | Very high | 80 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 144.7 | 165.5 | -172.7 | -106.2 | 0 | 0 | 0 | 109.7 | I236 I243 I263 N264 F265 I272 Y306 F308 T314 F317 W318 | I236-F270 HydrophobicContact CD1-CD1 4.07Å; I236-F270 HydrophobicContact CD1-CE1 4.21Å; I243-F270 HydrophobicContact CD1-CE1 3.93Å; I243-F270 HydrophobicContact CD1-CZ 3.89Å; I263-F270 HydrophobicContact CB-CE2 4.26Å; I263-F270 HydrophobicContact CB-CZ 3.91Å; I263-F270 HydrophobicContact CD1-CZ 4.45Å; I263-F270 HydrophobicContact CG2-CE1 4.42Å; I263-F270 HydrophobicContact CG2-CZ 3.88Å; N264-F270 WeakPolarHBondContact O-CD2 3.44Å; F265-F270 HydrophobicContact CB-CD2 4.47Å; F270-I272 HydrophobicContact CD1-CG1 4.16Å; F270-I272 HydrophobicContact CE1-CD1 4.28Å; F270-I272 HydrophobicContact CE1-CG1 3.66Å; F270-Y306 HydrophobicContact CD1-CD2 4.36Å; F270-Y306 PolarHBondContact N-O 2.91Å; F270-Y306 PolarHBondContact O-N 3.45Å; F270-F308 HydrophobicContact CB-CD2 4.04Å; F270-F308 HydrophobicContact CB-CE2 3.55Å; F270-F308 HydrophobicContact CG-CE2 4.18Å; F270-T314 HydrophobicContact CB-CG2 3.93Å; F270-F317 HydrophobicContact CD1-CE1 4.33Å; F270-F317 HydrophobicContact CD2-CD1 4.15Å; F270-F317 HydrophobicContact CE1-CD1 4.43Å; F270-F317 AromaticContact CE1-CE1 3.91Å; F270-F317 HydrophobicContact CE1-CE1 3.91Å; F270-F317 AromaticContact CE2-CD1 3.94Å; F270-F317 HydrophobicContact CE2-CD1 3.94Å; F270-F317 HydrophobicContact CE2-CE1 4.16Å; F270-F317 HydrophobicContact CZ-CD1 4.09Å; F270-F317 AromaticContact CZ-CE1 3.81Å; F270-F317 HydrophobicContact CZ-CE1 3.81Å; F270-W318 HydrophobicContact CD2-CB 4.21Å; F270-W318 HydrophobicContact CE2-CB 3.94Å; F270-W318 AromaticContact CE2-CD1 3.97Å; F270-W318 HydrophobicContact CE2-CG 4.38Å |
| 271 | T | 93.5 | Very high | 77.2 | Confident | 4 Ų | 4 | 82 Ų | 82 | 3% | 0.025 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 128.3 | 175.3 | -49.5 | 0 | 0 | 0 | 0 | 111.1 | I263 N264 H273 K303 Q304 H305 | I263-T271 WeakPolarHBondContact CA-O 3.31Å; N264-T271 PolarHBondContact N-O 3.03Å; N264-T271 PolarHBondContact O-N 2.92Å; N264-T271 VanDerWaalsContact OD1-CB 3.28Å; N264-T271 WeakPolarHBondContact OD1-CB 3.41Å; N264-T271 PolarHBondContact OD1-OG1 3.24Å; T271-H273 WeakPolarHBondContact CG2-NE2 3.26Å; T271-K303 HydrophobicContact CG2-CB 4.35Å; T271-Q304 VanDerWaalsContact CA-O 3.3Å; T271-Q304 WeakPolarHBondContact CA-O 3.12Å; T271-H305 WeakPolarHBondContact CG2-CE1 3.09Å; T271-H305 WeakPolarHBondContact CG2-ND1 3.04Å; T271-H305 PolarHBondContact OG1-CE1 3.41Å; T271-H305 PolarHBondContact OG1-ND1 3.11Å |
| 272 | I | 93.3 | Very high | 74.4 | Confident | 0 Ų | 0 | 86.8 Ų | 86.8 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.3 | 165.7 | -49.5 | 178 | 0 | 0 | 0 | 107.6 | I243 Y255 I260 F270 F274 K303 Q304 Y306 | I243-I272 HydrophobicContact CB-CD1 4.24Å; I243-I272 HydrophobicContact CD1-CD1 4.13Å; I243-I272 HydrophobicContact CD1-CG1 4.37Å; I243-I272 HydrophobicContact CG2-CD1 3.88Å; Y255-I272 HydrophobicContact CD2-CD1 3.75Å; Y255-I272 HydrophobicContact CE2-CD1 4.03Å; I260-I272 HydrophobicContact CD1-CG2 4.19Å; I260-I272 HydrophobicContact CG1-CG2 3.85Å; I260-I272 HydrophobicContact CG2-CG2 4.15Å; F270-I272 HydrophobicContact CD1-CG1 4.16Å; F270-I272 HydrophobicContact CE1-CD1 4.28Å; F270-I272 HydrophobicContact CE1-CG1 3.66Å; I272-F274 HydrophobicContact CB-CE2 4.47Å; I272-F274 HydrophobicContact CB-CZ 4.08Å; I272-F274 HydrophobicContact CG2-CD1 4.32Å; I272-F274 HydrophobicContact CG2-CE1 3.64Å; I272-F274 HydrophobicContact CG2-CE2 4.23Å; I272-F274 HydrophobicContact CG2-CZ 3.59Å; I272-K303 CarbonylContact O-C 3.58Å; I272-K303 VanDerWaalsContact O-CA 3.31Å; I272-K303 WeakPolarHBondContact O-CA 3.36Å; I272-Q304 HydrophobicContact CB-CB 4.4Å; I272-Q304 PolarHBondContact N-O 2.8Å; I272-Q304 PolarHBondContact O-N 3.23Å; I272-Y306 HydrophobicContact CD1-CE2 3.86Å; I272-Y306 HydrophobicContact CG1-CE2 4.25Å |
| 273 | H | 90.4 | Very high | 71.4 | Confident | 34 Ų | 34 | 85 Ų | 85 | 16% | 0.157 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.8 | 170.2 | -54.1 | -119.2 | 0 | 0 | 0 | 107.5 | S261 K262 N264 T271 | S261-H273 PolarHBondContact N-O 2.84Å; S261-H273 VanDerWaalsContact OG-C 3.24Å; S261-H273 WeakPolarHBondContact OG-CB 3.5Å; S261-H273 PolarHBondContact OG-O 3.14Å; S261-H273 VanDerWaalsContact OG-O 3.09Å; K262-H273 HydrophobicContact CB-CB 4.07Å; K262-H273 PolarHBondContact N-O 2.99Å; K262-H273 PolarHBondContact O-CD2 3.5Å; K262-H273 PolarHBondContact O-N 2.88Å; N264-H273 PolarHBondContact ND2-NE2 3.23Å; T271-H273 WeakPolarHBondContact CG2-NE2 3.26Å |
| 274 | F | 88.9 | Confident | 68.4 | Low | 39 Ų | 39 | 92.5 Ų | 92.5 | 17% | 0.171 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 168.4 | -179.6 | -59.8 | -73.8 | 0 | 0 | 0 | 112 | Y255 N259 I260 S261 I272 L302 Q304 | Y255-F274 AromaticContact CD1-CE1 3.43Å; Y255-F274 HydrophobicContact CD1-CE1 3.43Å; Y255-F274 VanDerWaalsContact CD1-CE1 3.43Å; Y255-F274 AromaticContact CD1-CZ 3.64Å; Y255-F274 HydrophobicContact CD1-CZ 3.64Å; Y255-F274 HydrophobicContact CD2-CE1 4.46Å; Y255-F274 HydrophobicContact CD2-CZ 4.32Å; Y255-F274 AromaticContact CE1-CE1 3.87Å; Y255-F274 HydrophobicContact CE1-CE1 3.87Å; Y255-F274 AromaticContact CE1-CZ 3.59Å; Y255-F274 HydrophobicContact CE1-CZ 3.59Å; Y255-F274 HydrophobicContact CE2-CZ 4.27Å; Y255-F274 AromaticContact CG-CE1 3.76Å; Y255-F274 HydrophobicContact CG-CE1 3.76Å; Y255-F274 HydrophobicContact CG-CZ 4.01Å; Y255-F274 AromaticContact CZ-CZ 3.92Å; N259-F274 CarbonylContact O-C 3.53Å; N259-F274 WeakPolarHBondContact O-CA 3.47Å; I260-F274 HydrophobicContact CG1-CE1 4.45Å; S261-F274 WeakPolarHBondContact CB-O 3.33Å; S261-F274 VanDerWaalsContact OG-C 3.29Å; S261-F274 PolarHBondContact OG-O 2.93Å; I272-F274 HydrophobicContact CB-CE2 4.47Å; I272-F274 HydrophobicContact CB-CZ 4.08Å; I272-F274 HydrophobicContact CG2-CD1 4.32Å; I272-F274 HydrophobicContact CG2-CE1 3.64Å; I272-F274 HydrophobicContact CG2-CE2 4.23Å; I272-F274 HydrophobicContact CG2-CZ 3.59Å; F274-L302 PolarHBondContact N-O 3.03Å; F274-Q304 HydrophobicContact CE2-CB 3.91Å; F274-Q304 HydrophobicContact CE2-CG 3.64Å; F274-Q304 HydrophobicContact CZ-CB 4.26Å; F274-Q304 HydrophobicContact CZ-CG 4.08Å |
| 275 | K | 81.3 | Confident | 65.4 | Low | 113 Ų | 113 | 96 Ų | 96 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 132.5 | 171.9 | -64.8 | 176.4 | -169.1 | 162.4 | 0 | 109.8 | D258 N259 I260 S277 | D258-K275 VanDerWaalsContact O-CD 3.32Å; D258-K275 WeakPolarHBondContact O-CD 2.95Å; D258-K275 VanDerWaalsContact O-CE 3.29Å; D258-K275 WeakPolarHBondContact O-CE 3.44Å; D258-K275 PolarHBondContact O-NZ 3.08Å; N259-K275 PolarHBondContact O-N 3.31Å; I260-K275 WeakPolarHBondContact O-CE 3.34Å; K275-S277 PolarHBondContact O-N 2.92Å |
| 276 | T | 69.1 | Low | 62.4 | Low | 102 Ų | 102 | 99.3 Ų | 99.3 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 116.8 | 169.3 | 42.3 | 0 | 0 | 0 | 0 | 110.2 | S278 L302 | T276-S278 PolarHBondContact O-N 2.94Å; T276-S278 VanDerWaalsContact O-N 3.15Å; T276-L302 HydrophobicContact CG2-CD1 3.51Å; T276-L302 HydrophobicContact CG2-CD2 3.76Å; T276-L302 HydrophobicContact CG2-CG 4.3Å |
| 277 | S | 52.1 | Low | 59.5 | Low | 110 Ų | 110 | 95.8 Ų | 95.8 | 77% | 0.769 | 55% | 0.549 | S | S | * | . | trans | -81.7 | 92.7 | -178.3 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | K275 K279 | K275-S277 PolarHBondContact O-N 2.92Å; S277-K279 VanDerWaalsContact C-N 3.33Å; S277-K279 PolarHBondContact O-N 2.61Å | ||
| 278 | S | 35.5 | Very low | 56.7 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 79% | 0.79 | 57% | 0.567 | S | S | * | * | trans | -87.9 | 61.3 | 173.7 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | T276 | T276-S278 PolarHBondContact O-N 2.94Å; T276-S278 VanDerWaalsContact O-N 3.15Å | ||
| 279 | K | 35 | Very low | 53.8 | Low | 194 Ų | 194 | 101.8 Ų | 101.8 | 84% | 0.843 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -161.7 | 146.5 | 166.1 | -110.6 | 149.6 | -169.5 | 176.9 | 0 | 113.1 | S277 | S277-K279 VanDerWaalsContact C-N 3.33Å; S277-K279 PolarHBondContact O-N 2.61Å |
| 280 | S | 31.7 | Very low | 50.7 | Low | 117 Ų | 117 | 100.6 Ų | 100.6 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | -79.3 | 156.6 | -167.3 | -165.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 281 | M | 28.6 | Very low | 47.7 | Very low | 163 Ų | 163 | 108.4 Ų | 108.4 | 80% | 0.803 | 64% | 0.641 | S | S | * | * | trans | -34.9 | 130.4 | 173 | -62.7 | -69.3 | -172.3 | 0 | 0 | 116.2 | ||||
| 282 | N | 27.9 | Very low | 44.8 | Very low | 166 Ų | 166 | 114.4 Ų | 114.4 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | 161.8 | 118.6 | 116.7 | -83.5 | -28.8 | 0 | 0 | 0 | 111.1 | |||||
| 283 | G | 28.3 | Very low | 41.8 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 165.4 | 70.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 284 | H | 28.7 | Very low | 39.1 | Very low | 181 Ų | 181 | 123.6 Ų | 123.6 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | 42.7 | 94.8 | 164.4 | -105.3 | -62.6 | 0 | 0 | 0 | 118.8 | ||||
| 285 | V | 29.6 | Very low | 36.3 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -84.4 | 136.8 | 149.5 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | S287 | V285-S287 WeakPolarHBondContact CG1-OG 3.14Š| ||
| 286 | T | 29.6 | Very low | 33.8 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -111.7 | 95 | 166.4 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 287 | S | 30.3 | Very low | 31.9 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -138.9 | 121.7 | 175.1 | 56.4 | 0 | 0 | 0 | 0 | 109.3 | V285 | V285-S287 WeakPolarHBondContact CG1-OG 3.14Š| ||
| 288 | I | 34.5 | Very low | 31 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -102.7 | 113.7 | 177.7 | -70.8 | 176.6 | 0 | 0 | 0 | 108.7 | ||||
| 289 | S | 32.7 | Very low | 31 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | 43.1 | 127.6 | 161.6 | 61.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 290 | G | 29.7 | Very low | 31.4 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | 169.2 | -154.2 | 4.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 291 | L | 31.9 | Very low | 32.5 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | 81.3 | 83.5 | -174.6 | -57.5 | 173.5 | 0 | 0 | 0 | 116.3 | ||||
| 292 | T | 33 | Very low | 34.8 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | 46.6 | 113 | 128.9 | 55.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 293 | S | 28.7 | Very low | 37.6 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -77.1 | 170.9 | 160.2 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 294 | P | 33.6 | Very low | 40.5 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | -140.3 | 136.7 | 104 | 37.4 | -25.5 | 0 | 0 | 0 | 116.2 | |||||
| 295 | I | 30 | Very low | 43.6 | Very low | 150 Ų | 150 | 115.6 Ų | 115.6 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | trans | 14.7 | 112.9 | 140.8 | -48.4 | 170.5 | 0 | 0 | 0 | 118 | ||||
| 296 | M | 28.6 | Very low | 46.7 | Very low | 162 Ų | 162 | 109.8 Ų | 109.8 | 80% | 0.798 | 63% | 0.631 | S | S | * | * | trans | -171.8 | 152 | 137.2 | -111.5 | 171 | -112.7 | 0 | 0 | 114.4 | ||||
| 297 | N | 30.8 | Very low | 49.8 | Very low | 115 Ų | 115 | 109.2 Ų | 109.2 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | trans | 64 | 97.3 | 165.3 | -63.1 | -10.2 | 0 | 0 | 0 | 119.9 | S300 | N297-S300 PolarHBondContact O-OG 2.98Š| ||
| 298 | V | 32.2 | Very low | 52.8 | Low | 138 Ų | 138 | 104.9 Ų | 104.9 | 84% | 0.836 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -14.6 | -165.2 | 176.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 299 | E | 36.1 | Very low | 55.4 | Low | 186 Ų | 186 | 101.3 Ų | 101.3 | 87% | 0.869 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -13.8 | -176.3 | -67.3 | -165.8 | 117 | 0 | 0 | 115.3 | ||
| 300 | S | 42 | Very low | 58.1 | Low | 80 Ų | 80 | 95.9 Ų | 95.9 | 56% | 0.559 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -83.5 | -27.3 | -173.7 | 26.5 | 0 | 0 | 0 | 0 | 115.1 | N297 L302 | N297-S300 PolarHBondContact O-OG 2.98Å; S300-L302 PolarHBondContact O-N 2.97Å |
| 301 | E | 55.5 | Low | 60.9 | Low | 147 Ų | 147 | 94.6 Ų | 94.6 | 69% | 0.687 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.1 | -161.4 | -59.6 | -167.4 | 121.3 | 0 | 0 | 115.8 | K303 | E301-K303 PolarHBondContact O-N 2.89Š|
| 302 | L | 77.1 | Confident | 63.5 | Low | 69 Ų | 69 | 88.9 Ų | 88.9 | 36% | 0.361 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 5.1 | -174.1 | -71.6 | 162.6 | 0 | 0 | 0 | 115 | F274 T276 S300 | F274-L302 PolarHBondContact N-O 3.03Å; T276-L302 HydrophobicContact CG2-CD1 3.51Å; T276-L302 HydrophobicContact CG2-CD2 3.76Å; T276-L302 HydrophobicContact CG2-CG 4.3Å; S300-L302 PolarHBondContact O-N 2.97Å |
| 303 | K | 86.8 | Confident | 66.2 | Low | 99 Ų | 99 | 83 Ų | 83 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.5 | -176.1 | -64.9 | 164.8 | -167.1 | 146.7 | 0 | 110.8 | Q228 T271 I272 E301 | Q228-K303 PolarHBondContact NE2-O 2.95Å; T271-K303 HydrophobicContact CG2-CB 4.35Å; I272-K303 CarbonylContact O-C 3.58Å; I272-K303 VanDerWaalsContact O-CA 3.31Å; I272-K303 WeakPolarHBondContact O-CA 3.36Å; E301-K303 PolarHBondContact O-N 2.89Å |
| 304 | Q | 89.7 | Confident | 69.3 | Low | 24 Ų | 24 | 77.8 Ų | 77.8 | 11% | 0.112 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139 | 175.5 | -85.1 | -67.8 | -14.4 | 0 | 0 | 110.5 | T271 I272 F274 Y306 | T271-Q304 VanDerWaalsContact CA-O 3.3Å; T271-Q304 WeakPolarHBondContact CA-O 3.12Å; I272-Q304 HydrophobicContact CB-CB 4.4Å; I272-Q304 PolarHBondContact N-O 2.8Å; I272-Q304 PolarHBondContact O-N 3.23Å; F274-Q304 HydrophobicContact CE2-CB 3.91Å; F274-Q304 HydrophobicContact CE2-CG 3.64Å; F274-Q304 HydrophobicContact CZ-CB 4.26Å; F274-Q304 HydrophobicContact CZ-CG 4.08Å; Q304-Y306 HydrophobicContact CB-CE2 3.89Å; Q304-Y306 WeakPolarHBondContact CB-OH 3.4Å; Q304-Y306 PolarHBondContact OE1-OH 3.27Å |
| 305 | H | 92.6 | Very high | 72 | Confident | 39 Ų | 39 | 77 Ų | 77 | 18% | 0.181 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124 | -168.3 | -70.1 | -51.5 | 0 | 0 | 0 | 112.5 | E227 T271 | E227-H305 HydrophobicContact CB-CB 3.94Å; E227-H305 HydrophobicContact CG-CB 4.49Å; E227-H305 PolarHBondContact N-O 3.33Å; T271-H305 WeakPolarHBondContact CG2-CE1 3.09Å; T271-H305 WeakPolarHBondContact CG2-ND1 3.04Å; T271-H305 PolarHBondContact OG1-CE1 3.41Å; T271-H305 PolarHBondContact OG1-ND1 3.11Å |
| 306 | Y | 94.4 | Very high | 74.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.4 | -178.1 | -53.8 | -70 | 0 | 0 | 0 | 111.5 | V224 D226 I234 I236 L245 Y255 R269 F270 I272 Q304 | V224-Y306 HydrophobicContact CG2-CD1 4.44Å; D226-Y306 HydrophobicContact CB-CD1 4.43Å; D226-Y306 HydrophobicContact CB-CE1 4.45Å; I234-Y306 HydrophobicContact CD1-CD1 3.93Å; I234-Y306 HydrophobicContact CD1-CE1 3.79Å; I236-Y306 HydrophobicContact CD1-CD2 3.65Å; I236-Y306 HydrophobicContact CD1-CE2 4.15Å; I236-Y306 HydrophobicContact CD1-CG 4.07Å; L245-Y306 HydrophobicContact CD1-CE1 4.2Å; L245-Y306 WeakPolarHBondContact CD1-OH 3.46Å; L245-Y306 HydrophobicContact CD2-CE1 4.16Å; L245-Y306 HydrophobicContact CD2-CE2 4.36Å; Y255-Y306 PolarHBondContact OH-OH 3.15Å; R269-Y306 WeakPolarHBondContact CA-O 3.39Å; F270-Y306 HydrophobicContact CD1-CD2 4.36Å; F270-Y306 PolarHBondContact N-O 2.91Å; F270-Y306 PolarHBondContact O-N 3.45Å; I272-Y306 HydrophobicContact CD1-CE2 3.86Å; I272-Y306 HydrophobicContact CG1-CE2 4.25Å; Q304-Y306 HydrophobicContact CB-CE2 3.89Å; Q304-Y306 WeakPolarHBondContact CB-OH 3.4Å; Q304-Y306 PolarHBondContact OE1-OH 3.27Å |
| 307 | R | 94.6 | Very high | 77.9 | Confident | 120 Ų | 120 | 63.4 Ų | 63.4 | 45% | 0.453 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.9 | 179 | -176.5 | 176.2 | -65.2 | -158.9 | 1.5 | 110.8 | V224 K225 E227 K268 | V224-R307 CarbonylContact C-O 3.59Å; V224-R307 WeakPolarHBondContact CA-O 3.49Å; V224-R307 WeakPolarHBondContact CB-O 3.07Å; K225-R307 HydrophobicContact CB-CB 4.42Å; K225-R307 PolarHBondContact N-O 3.37Å; K225-R307 PolarHBondContact O-N 2.95Å; E227-R307 HydrophobicContact CG-CB 3.95Å; E227-R307 IonicContact OE1-CZ 2.74Å; E227-R307 IonicContact OE1-NE 3.71Å; E227-R307 PolarHBondContact OE1-NE 3.09Å; E227-R307 IonicContact OE1-NH2 2.72Å; E227-R307 PolarHBondContact OE1-NH2 3.05Å; K268-R307 HydrophobicContact CB-CG 4.31Å; K268-R307 CarbonylContact O-C 3.51Å; K268-R307 WeakPolarHBondContact O-CA 3.46Å |
| 308 | F | 93.4 | Very high | 80.9 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | trans | -78.1 | 164.6 | 172.8 | -77.2 | -109.6 | 0 | 0 | 0 | 111.4 | H222 V224 I236 K268 F270 S310 T314 F317 | H222-F308 HydrophobicContact CB-CD1 4.37Å; H222-F308 HydrophobicContact CB-CE1 3.7Å; H222-F308 AromaticContact CD2-CE1 3.7Å; H222-F308 AromaticContact CG-CE1 3.94Å; V224-F308 HydrophobicContact CG1-CB 4.42Å; V224-F308 HydrophobicContact CG1-CD1 3.75Å; V224-F308 HydrophobicContact CG1-CD2 3.62Å; V224-F308 HydrophobicContact CG1-CE1 3.75Å; V224-F308 HydrophobicContact CG1-CE2 3.59Å; V224-F308 HydrophobicContact CG1-CG 3.67Å; V224-F308 HydrophobicContact CG1-CZ 3.65Å; I236-F308 HydrophobicContact CG2-CE1 4.33Å; I236-F308 HydrophobicContact CG2-CE2 4.27Å; I236-F308 HydrophobicContact CG2-CZ 3.67Å; K268-F308 PolarHBondContact O-N 3.34Å; F270-F308 HydrophobicContact CB-CD2 4.04Å; F270-F308 HydrophobicContact CB-CE2 3.55Å; F270-F308 HydrophobicContact CG-CE2 4.18Å; F308-S310 PolarHBondContact O-N 3.06Å; F308-T314 VanDerWaalsContact CB-OG1 3.29Å; F308-T314 WeakPolarHBondContact CB-OG1 3.5Å; F308-T314 HydrophobicContact CD2-CG2 3.89Å; F308-T314 HydrophobicContact CE2-CG2 4.34Å; F308-T314 HydrophobicContact CG-CG2 4.31Å; F308-F317 HydrophobicContact CE1-CB 3.55Å; F308-F317 HydrophobicContact CE1-CD1 4.22Å; F308-F317 AromaticContact CE1-CD2 3.85Å; F308-F317 HydrophobicContact CE1-CD2 3.85Å; F308-F317 AromaticContact CE1-CG 3.61Å; F308-F317 HydrophobicContact CE1-CG 3.61Å; F308-F317 HydrophobicContact CE2-CD1 4.32Å; F308-F317 HydrophobicContact CZ-CB 3.71Å; F308-F317 AromaticContact CZ-CD1 3.51Å; F308-F317 HydrophobicContact CZ-CD1 3.51Å; F308-F317 AromaticContact CZ-CD2 3.8Å; F308-F317 HydrophobicContact CZ-CD2 3.8Å; F308-F317 HydrophobicContact CZ-CE1 4.04Å; F308-F317 HydrophobicContact CZ-CE2 4.29Å; F308-F317 AromaticContact CZ-CG 3.37Å; F308-F317 HydrophobicContact CZ-CG 3.37Å; F308-F317 HydrophobicContact CZ-CZ 4.41Å | ||
| 309 | P | 89.4 | Confident | 83.7 | Confident | 88 Ų | 88 | 58.3 Ų | 58.3 | 57% | 0.571 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -55.2 | -32 | 170.3 | -26.4 | 35.7 | 0 | 0 | 0 | 113 | V223 K268 | V223-P309 WeakPolarHBondContact O-CD 3.24Å; K268-P309 WeakPolarHBondContact CD-O 3.37Å; K268-P309 WeakPolarHBondContact CE-O 3.27Å; K268-P309 PolarHBondContact NZ-O 2.84Å |
| 310 | S | 88.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | trans | -154.1 | 164.8 | -176.1 | 72.4 | 0 | 0 | 0 | 0 | 115.4 | E78 F308 V312 S313 T314 | E78-S310 VanDerWaalsContact CD-OG 3.27Å; E78-S310 WeakPolarHBondContact OE1-CB 3.1Å; E78-S310 PolarHBondContact OE1-OG 2.98Å; E78-S310 WeakPolarHBondContact OE2-CB 3.37Å; E78-S310 PolarHBondContact OE2-OG 2.84Å; F308-S310 PolarHBondContact O-N 3.06Å; S310-V312 VanDerWaalsContact C-N 3.28Å; S310-V312 PolarHBondContact O-N 2.87Å; S310-V312 PolarHBondContact OG-N 3.32Å; S310-S313 PolarHBondContact N-OG 2.7Å; S310-S313 VanDerWaalsContact N-OG 3.13Å; S310-S313 PolarHBondContact O-OG 3.46Å; S310-S313 WeakPolarHBondContact OG-CB 3.11Å; S310-S313 PolarHBondContact OG-N 2.99Å; S310-S313 PolarHBondContact OG-OG 2.84Å; S310-T314 PolarHBondContact O-N 2.95Å; S310-T314 PolarHBondContact O-OG1 3.39Å | ||
| 311 | A | 90 | Very high | 88.7 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.1 | -27.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G267 K315 | G267-A311 WeakPolarHBondContact O-CA 3.44Å; A311-K315 WeakPolarHBondContact O-CB 3.46Å; A311-K315 PolarHBondContact O-N 3.19Å |
| 312 | V | 86.9 | Confident | 90.3 | Very high | 44 Ų | 44 | 41 Ų | 41 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -76.7 | -44.5 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | L81 S310 T314 K315 L316 | L81-V312 HydrophobicContact CD1-CB 4.41Å; L81-V312 HydrophobicContact CD1-CG1 3.9Å; S310-V312 VanDerWaalsContact C-N 3.28Å; S310-V312 PolarHBondContact O-N 2.87Å; S310-V312 PolarHBondContact OG-N 3.32Å; V312-T314 VanDerWaalsContact C-N 3.34Å; V312-T314 PolarHBondContact O-N 3.32Å; V312-K315 PolarHBondContact O-N 2.87Å; V312-L316 HydrophobicContact CG1-CD1 4.13Å; V312-L316 HydrophobicContact CG1-CG 4.42Å; V312-L316 WeakPolarHBondContact O-CB 3.49Å; V312-L316 WeakPolarHBondContact O-CG 3.13Å; V312-L316 PolarHBondContact O-N 3.49Å |
| 313 | S | 89.2 | Confident | 90.8 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 170.2 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | S310 K315 L316 F317 | S310-S313 PolarHBondContact N-OG 2.7Å; S310-S313 VanDerWaalsContact N-OG 3.13Å; S310-S313 PolarHBondContact O-OG 3.46Å; S310-S313 WeakPolarHBondContact OG-CB 3.11Å; S310-S313 PolarHBondContact OG-N 2.99Å; S310-S313 PolarHBondContact OG-OG 2.84Å; S313-K315 PolarHBondContact O-N 3.15Å; S313-L316 PolarHBondContact O-N 2.82Å; S313-F317 WeakPolarHBondContact O-CB 3.34Å; S313-F317 PolarHBondContact O-N 2.92Å |
| 314 | T | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 172.9 | -41.5 | 0 | 0 | 0 | 0 | 112 | F265 G267 K268 F270 F308 S310 V312 F317 W318 | F265-T314 HydrophobicContact CB-CG2 3.5Å; F265-T314 VanDerWaalsContact CB-CG2 3.5Å; F265-T314 HydrophobicContact CD2-CG2 4.09Å; F265-T314 HydrophobicContact CG-CG2 4.1Å; G267-T314 PolarHBondContact O-OG1 2.83Å; K268-T314 WeakPolarHBondContact CA-OG1 3.38Å; K268-T314 PolarHBondContact O-OG1 3.16Å; F270-T314 HydrophobicContact CB-CG2 3.93Å; F308-T314 VanDerWaalsContact CB-OG1 3.29Å; F308-T314 WeakPolarHBondContact CB-OG1 3.5Å; F308-T314 HydrophobicContact CD2-CG2 3.89Å; F308-T314 HydrophobicContact CE2-CG2 4.34Å; F308-T314 HydrophobicContact CG-CG2 4.31Å; S310-T314 PolarHBondContact O-N 2.95Å; S310-T314 PolarHBondContact O-OG1 3.39Å; V312-T314 VanDerWaalsContact C-N 3.34Å; V312-T314 PolarHBondContact O-N 3.32Å; T314-F317 PolarHBondContact O-N 3.19Å; T314-W318 WeakPolarHBondContact O-CB 3.49Å; T314-W318 PolarHBondContact O-N 3.1Å |
| 315 | K | 91.3 | Very high | 90.7 | Very high | 101 Ų | 101 | 36.3 Ų | 36.3 | 44% | 0.439 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 179.8 | -177.1 | 168.5 | -177 | 168 | 0 | 112 | F265 A311 V312 S313 W318 Q319 | F265-K315 HydrophobicContact CD2-CB 4.5Å; F265-K315 HydrophobicContact CE1-CG 4.35Å; F265-K315 HydrophobicContact CE2-CB 3.73Å; F265-K315 HydrophobicContact CE2-CD 4.47Å; F265-K315 HydrophobicContact CE2-CG 4.16Å; F265-K315 HydrophobicContact CZ-CB 3.77Å; F265-K315 HydrophobicContact CZ-CD 3.99Å; F265-K315 HydrophobicContact CZ-CG 3.67Å; A311-K315 WeakPolarHBondContact O-CB 3.46Å; A311-K315 PolarHBondContact O-N 3.19Å; V312-K315 PolarHBondContact O-N 2.87Å; S313-K315 PolarHBondContact O-N 3.15Å; K315-W318 PolarHBondContact O-N 3.18Å; K315-Q319 HydrophobicContact CG-CG 4.43Å; K315-Q319 WeakPolarHBondContact O-CB 3.33Å; K315-Q319 VanDerWaalsContact O-CG 3.31Å; K315-Q319 WeakPolarHBondContact O-CG 3.33Å; K315-Q319 PolarHBondContact O-N 3.42Å |
| 316 | L | 89.3 | Confident | 90.2 | Very high | 23 Ų | 23 | 35.1 Ų | 35.1 | 12% | 0.12 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 178.5 | -70.2 | 174 | 0 | 0 | 0 | 112 | L81 K83 V312 S313 Y320 | L81-L316 HydrophobicContact CB-CD1 4.4Å; L81-L316 HydrophobicContact CD1-CD1 4.33Å; K83-L316 HydrophobicContact CB-CD2 4.44Å; K83-L316 HydrophobicContact CD-CD2 4.03Å; K83-L316 HydrophobicContact CG-CD2 3.88Å; V312-L316 HydrophobicContact CG1-CD1 4.13Å; V312-L316 HydrophobicContact CG1-CG 4.42Å; V312-L316 WeakPolarHBondContact O-CB 3.49Å; V312-L316 WeakPolarHBondContact O-CG 3.13Å; V312-L316 PolarHBondContact O-N 3.49Å; S313-L316 PolarHBondContact O-N 2.82Å; L316-Y320 WeakPolarHBondContact O-CB 3.44Å; L316-Y320 PolarHBondContact O-N 3.03Å |
| 317 | F | 92.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -48.4 | 173.7 | -174.6 | -88.6 | 0 | 0 | 0 | 111.5 | H222 I236 V238 F270 F308 S313 T314 Q319 Y320 A321 | H222-F317 HydrophobicContact CB-CD2 4.14Å; H222-F317 HydrophobicContact CB-CE2 4.48Å; H222-F317 AromaticContact CG-CD2 3.92Å; I236-F317 HydrophobicContact CB-CZ 4.34Å; I236-F317 HydrophobicContact CD1-CE1 4.04Å; I236-F317 HydrophobicContact CD1-CZ 3.98Å; I236-F317 HydrophobicContact CG1-CE1 4.33Å; I236-F317 HydrophobicContact CG1-CZ 3.76Å; I236-F317 HydrophobicContact CG2-CE1 4.45Å; I236-F317 HydrophobicContact CG2-CE2 3.89Å; I236-F317 HydrophobicContact CG2-CZ 3.85Å; V238-F317 HydrophobicContact CG2-CD2 4.45Å; V238-F317 HydrophobicContact CG2-CE1 3.87Å; V238-F317 HydrophobicContact CG2-CE2 3.69Å; V238-F317 HydrophobicContact CG2-CZ 3.33Å; F270-F317 HydrophobicContact CD1-CE1 4.33Å; F270-F317 HydrophobicContact CD2-CD1 4.15Å; F270-F317 HydrophobicContact CE1-CD1 4.43Å; F270-F317 AromaticContact CE1-CE1 3.91Å; F270-F317 HydrophobicContact CE1-CE1 3.91Å; F270-F317 AromaticContact CE2-CD1 3.94Å; F270-F317 HydrophobicContact CE2-CD1 3.94Å; F270-F317 HydrophobicContact CE2-CE1 4.16Å; F270-F317 HydrophobicContact CZ-CD1 4.09Å; F270-F317 AromaticContact CZ-CE1 3.81Å; F270-F317 HydrophobicContact CZ-CE1 3.81Å; F308-F317 HydrophobicContact CE1-CB 3.55Å; F308-F317 HydrophobicContact CE1-CD1 4.22Å; F308-F317 AromaticContact CE1-CD2 3.85Å; F308-F317 HydrophobicContact CE1-CD2 3.85Å; F308-F317 AromaticContact CE1-CG 3.61Å; F308-F317 HydrophobicContact CE1-CG 3.61Å; F308-F317 HydrophobicContact CE2-CD1 4.32Å; F308-F317 HydrophobicContact CZ-CB 3.71Å; F308-F317 AromaticContact CZ-CD1 3.51Å; F308-F317 HydrophobicContact CZ-CD1 3.51Å; F308-F317 AromaticContact CZ-CD2 3.8Å; F308-F317 HydrophobicContact CZ-CD2 3.8Å; F308-F317 HydrophobicContact CZ-CE1 4.04Å; F308-F317 HydrophobicContact CZ-CE2 4.29Å; F308-F317 AromaticContact CZ-CG 3.37Å; F308-F317 HydrophobicContact CZ-CG 3.37Å; F308-F317 HydrophobicContact CZ-CZ 4.41Å; S313-F317 WeakPolarHBondContact O-CB 3.34Å; S313-F317 PolarHBondContact O-N 2.92Å; T314-F317 PolarHBondContact O-N 3.19Å; F317-Q319 PolarHBondContact O-N 2.83Å; F317-Y320 PolarHBondContact O-N 3.39Å; F317-A321 WeakPolarHBondContact O-CB 3.31Å; F317-A321 PolarHBondContact O-N 2.65Å |
| 318 | W | 94.2 | Very high | 89 | Confident | 56 Ų | 56 | 31.3 Ų | 31.3 | 21% | 0.212 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.4 | 173.1 | 85.9 | 0 | 0 | 0 | 112.4 | I263 F265 F270 T314 K315 Y320 A321 V322 | I263-W318 PolarHBondContact O-NE1 3.02Å; F265-W318 HydrophobicContact CD1-CB 3.8Å; F265-W318 AromaticContact CD1-CD2 3.71Å; F265-W318 HydrophobicContact CD1-CD2 3.71Å; F265-W318 HydrophobicContact CD1-CE3 4.07Å; F265-W318 AromaticContact CD1-CG 3.56Å; F265-W318 HydrophobicContact CD1-CG 3.56Å; F265-W318 HydrophobicContact CE1-CB 4.34Å; F265-W318 AromaticContact CE1-CD2 3.7Å; F265-W318 HydrophobicContact CE1-CD2 3.7Å; F265-W318 AromaticContact CE1-CE3 3.58Å; F265-W318 HydrophobicContact CE1-CE3 3.58Å; F265-W318 HydrophobicContact CE1-CG 4.04Å; F265-W318 HydrophobicContact CE1-CZ3 4.17Å; F265-W318 HydrophobicContact CG-CB 4.43Å; F270-W318 HydrophobicContact CD2-CB 4.21Å; F270-W318 HydrophobicContact CE2-CB 3.94Å; F270-W318 AromaticContact CE2-CD1 3.97Å; F270-W318 HydrophobicContact CE2-CG 4.38Å; T314-W318 WeakPolarHBondContact O-CB 3.49Å; T314-W318 PolarHBondContact O-N 3.1Å; K315-W318 PolarHBondContact O-N 3.18Å; W318-Y320 VanDerWaalsContact C-N 3.31Å; W318-Y320 PolarHBondContact O-N 2.89Å; W318-A321 PolarHBondContact O-N 2.77Å; W318-V322 HydrophobicContact CD2-CG2 4.14Å; W318-V322 HydrophobicContact CH2-CG2 4.49Å; W318-V322 HydrophobicContact CZ2-CG2 3.86Å; W318-V322 WeakPolarHBondContact O-CG2 3.39Å; W318-V322 PolarHBondContact O-N 3.33Å |
| 319 | Q | 90.3 | Very high | 88.1 | Confident | 91 Ų | 91 | 35.3 Ų | 35.3 | 43% | 0.425 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.5 | -76.1 | -176.5 | -56.9 | 0 | 0 | 111.9 | K315 F317 S323 | K315-Q319 HydrophobicContact CG-CG 4.43Å; K315-Q319 WeakPolarHBondContact O-CB 3.33Å; K315-Q319 VanDerWaalsContact O-CG 3.31Å; K315-Q319 WeakPolarHBondContact O-CG 3.33Å; K315-Q319 PolarHBondContact O-N 3.42Å; F317-Q319 PolarHBondContact O-N 2.83Å; Q319-S323 WeakPolarHBondContact O-CB 3.18Å; Q319-S323 PolarHBondContact O-N 3.26Å |
| 320 | Y | 91.6 | Very high | 87 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.7 | -47.2 | 175.2 | -174.2 | -104.8 | 0 | 0 | 0 | 111.6 | W84 K108 K220 V238 L316 F317 W318 V322 S323 C324 | W84-Y320 AromaticContact CD1-CD2 3.9Å; W84-Y320 HydrophobicContact CZ2-CE2 4.35Å; W84-Y320 AromaticContact NE1-CD2 3.34Å; W84-Y320 VanDerWaalsContact NE1-CD2 3.34Å; W84-Y320 AromaticContact NE1-CE2 3.44Å; K108-Y320 PolarHBondContact O-OH 3.41Å; K220-Y320 HydrophobicContact CB-CD1 3.8Å; K220-Y320 HydrophobicContact CB-CE1 3.26Å; K220-Y320 HydrophobicContact CD-CD1 3.73Å; K220-Y320 HydrophobicContact CD-CD2 4.02Å; K220-Y320 HydrophobicContact CD-CE1 3.8Å; K220-Y320 HydrophobicContact CD-CE2 4.06Å; K220-Y320 HydrophobicContact CD-CG 3.83Å; K220-Y320 HydrophobicContact CG-CD1 4.27Å; K220-Y320 HydrophobicContact CG-CE1 4.11Å; V238-Y320 HydrophobicContact CB-CD1 3.9Å; V238-Y320 HydrophobicContact CB-CE1 3.92Å; V238-Y320 HydrophobicContact CG1-CD1 4.11Å; V238-Y320 HydrophobicContact CG1-CE1 4.11Å; V238-Y320 HydrophobicContact CG2-CD1 4.26Å; L316-Y320 WeakPolarHBondContact O-CB 3.44Å; L316-Y320 PolarHBondContact O-N 3.03Å; F317-Y320 PolarHBondContact O-N 3.39Å; W318-Y320 VanDerWaalsContact C-N 3.31Å; W318-Y320 PolarHBondContact O-N 2.89Å; Y320-V322 PolarHBondContact O-N 2.87Å; Y320-S323 CarbonylContact O-C 3.47Å; Y320-S323 WeakPolarHBondContact O-CA 3.5Å; Y320-S323 PolarHBondContact O-N 2.71Å; Y320-S323 PolarHBondContact O-OG 3.18Å; Y320-C324 WeakPolarHBondContact CE1-SG 3.13Å; Y320-C324 VanDerWaalsContact CZ-SG 3.53Å; Y320-C324 PolarHBondContact O-N 3.47Å; Y320-C324 PolarHBondContact O-SG 3.27Å; Y320-C324 VanDerWaalsContact O-SG 3.38Å |
| 321 | A | 92.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.2 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V238 W257 I263 F317 W318 S323 C324 H325 | V238-A321 HydrophobicContact CG1-CB 4.42Å; V238-A321 HydrophobicContact CG2-CB 3.98Å; W257-A321 HydrophobicContact CH2-CB 4.25Å; W257-A321 WeakPolarHBondContact CH2-O 3.39Å; I263-A321 HydrophobicContact CD1-CB 3.56Å; F317-A321 WeakPolarHBondContact O-CB 3.31Å; F317-A321 PolarHBondContact O-N 2.65Å; W318-A321 PolarHBondContact O-N 2.77Å; A321-S323 VanDerWaalsContact C-N 3.33Å; A321-S323 PolarHBondContact O-N 2.93Å; A321-C324 PolarHBondContact O-N 3.38Å; A321-H325 WeakPolarHBondContact O-CB 3.16Å; A321-H325 PolarHBondContact O-N 3.26Å |
| 322 | V | 89.5 | Confident | 82.7 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 22% | 0.218 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 173.1 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | I263 W318 Y320 A326 | I263-V322 HydrophobicContact CD1-CG2 3.9Å; I263-V322 HydrophobicContact CG1-CG2 4.42Å; W318-V322 HydrophobicContact CD2-CG2 4.14Å; W318-V322 HydrophobicContact CH2-CG2 4.49Å; W318-V322 HydrophobicContact CZ2-CG2 3.86Å; W318-V322 WeakPolarHBondContact O-CG2 3.39Å; W318-V322 PolarHBondContact O-N 3.33Å; Y320-V322 PolarHBondContact O-N 2.87Å; V322-A326 VanDerWaalsContact O-CB 3.28Å; V322-A326 WeakPolarHBondContact O-CB 3.4Å; V322-A326 PolarHBondContact O-N 2.84Å |
| 323 | S | 87.2 | Confident | 80.1 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.3 | -38.4 | 178.8 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | Q319 Y320 A321 A326 F327 | Q319-S323 WeakPolarHBondContact O-CB 3.18Å; Q319-S323 PolarHBondContact O-N 3.26Å; Y320-S323 CarbonylContact O-C 3.47Å; Y320-S323 WeakPolarHBondContact O-CA 3.5Å; Y320-S323 PolarHBondContact O-N 2.71Å; Y320-S323 PolarHBondContact O-OG 3.18Å; A321-S323 VanDerWaalsContact C-N 3.33Å; A321-S323 PolarHBondContact O-N 2.93Å; S323-A326 PolarHBondContact O-N 3.49Å; S323-F327 WeakPolarHBondContact O-CB 3.49Å; S323-F327 PolarHBondContact O-N 3.03Å |
| 324 | C | 87.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -48.7 | 174.2 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | V238 W257 Y320 A321 A326 F327 F328 | V238-C324 HydrophobicContact CG1-CB 3.84Å; W257-C324 HydrophobicContact CZ2-CB 4.04Å; Y320-C324 WeakPolarHBondContact CE1-SG 3.13Å; Y320-C324 VanDerWaalsContact CZ-SG 3.53Å; Y320-C324 PolarHBondContact O-N 3.47Å; Y320-C324 PolarHBondContact O-SG 3.27Å; Y320-C324 VanDerWaalsContact O-SG 3.38Å; A321-C324 PolarHBondContact O-N 3.38Å; C324-A326 VanDerWaalsContact C-N 3.3Å; C324-A326 PolarHBondContact O-N 3.14Å; C324-F327 PolarHBondContact O-N 3.38Å; C324-F328 HydrophobicContact CB-CD2 4.37Å; C324-F328 WeakPolarHBondContact O-CD2 3.37Å; C324-F328 PolarHBondContact O-N 3.05Å |
| 325 | H | 87.5 | Confident | 74.2 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 34% | 0.338 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.9 | -43.8 | 174.7 | 176.8 | -86.4 | 0 | 0 | 0 | 111.8 | W257 A321 R329 | W257-H325 HydrophobicContact CD2-CB 4.19Å; W257-H325 AromaticContact CD2-CD2 3.95Å; W257-H325 HydrophobicContact CE3-CB 3.98Å; W257-H325 AromaticContact CE3-CD2 3.72Å; W257-H325 HydrophobicContact CH2-CB 4.13Å; W257-H325 HydrophobicContact CZ2-CB 4.32Å; W257-H325 HydrophobicContact CZ3-CB 3.95Å; A321-H325 WeakPolarHBondContact O-CB 3.16Å; A321-H325 PolarHBondContact O-N 3.26Å; H325-R329 WeakPolarHBondContact O-CA 3.46Å; H325-R329 VanDerWaalsContact O-CB 3.28Å; H325-R329 WeakPolarHBondContact O-CB 3.36Å; H325-R329 PolarHBondContact O-N 3.01Å |
| 326 | A | 81.5 | Confident | 71.2 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V322 S323 C324 V330 W671 | V322-A326 VanDerWaalsContact O-CB 3.28Å; V322-A326 WeakPolarHBondContact O-CB 3.4Å; V322-A326 PolarHBondContact O-N 2.84Å; S323-A326 PolarHBondContact O-N 3.49Å; C324-A326 VanDerWaalsContact C-N 3.3Å; C324-A326 PolarHBondContact O-N 3.14Å; A326-V330 HydrophobicContact CB-CG2 4.45Å; A326-V330 WeakPolarHBondContact O-CB 3.34Å; A326-V330 PolarHBondContact O-N 2.9Å; A326-W671 HydrophobicContact CB-CH2 3.64Å; A326-W671 HydrophobicContact CB-CZ2 3.32Å |
| 327 | F | 83.2 | Confident | 68.3 | Low | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -54.4 | 178.1 | -169.1 | -97.6 | 0 | 0 | 0 | 111.8 | D65 F66 F109 S323 C324 A355 T356 Y359 | D65-F327 HydrophobicContact CB-CE2 4.25Å; D65-F327 WeakPolarHBondContact O-CE2 3.24Å; F66-F327 HydrophobicContact CD1-CE1 4.04Å; F66-F327 AromaticContact CD1-CZ 3.67Å; F66-F327 HydrophobicContact CD1-CZ 3.67Å; F66-F327 HydrophobicContact CE1-CE1 4.02Å; F66-F327 AromaticContact CE1-CZ 3.78Å; F66-F327 HydrophobicContact CE1-CZ 3.78Å; F109-F327 HydrophobicContact CB-CD1 3.73Å; F109-F327 HydrophobicContact CB-CE1 3.57Å; F109-F327 HydrophobicContact CB-CE2 4.47Å; F109-F327 HydrophobicContact CB-CG 4.26Å; F109-F327 HydrophobicContact CB-CZ 3.97Å; F109-F327 HydrophobicContact CD1-CB 4.14Å; F109-F327 HydrophobicContact CD1-CD1 4.23Å; F109-F327 HydrophobicContact CD1-CG 4.1Å; F109-F327 HydrophobicContact CD2-CB 4.36Å; F109-F327 HydrophobicContact CD2-CD1 4.05Å; F109-F327 AromaticContact CD2-CD2 3.43Å; F109-F327 HydrophobicContact CD2-CD2 3.43Å; F109-F327 VanDerWaalsContact CD2-CD2 3.43Å; F109-F327 HydrophobicContact CD2-CE1 4.14Å; F109-F327 AromaticContact CD2-CE2 3.55Å; F109-F327 HydrophobicContact CD2-CE2 3.55Å; F109-F327 AromaticContact CD2-CG 3.7Å; F109-F327 HydrophobicContact CD2-CG 3.7Å; F109-F327 AromaticContact CD2-CZ 3.91Å; F109-F327 HydrophobicContact CD2-CZ 3.91Å; F109-F327 HydrophobicContact CE1-CB 4.06Å; F109-F327 HydrophobicContact CE1-CG 4.38Å; F109-F327 HydrophobicContact CE2-CB 4.27Å; F109-F327 AromaticContact CE2-CD2 3.59Å; F109-F327 HydrophobicContact CE2-CD2 3.59Å; F109-F327 HydrophobicContact CE2-CE2 4.05Å; F109-F327 AromaticContact CE2-CG 3.98Å; F109-F327 HydrophobicContact CE2-CG 3.98Å; F109-F327 HydrophobicContact CG-CB 4.29Å; F109-F327 AromaticContact CG-CD1 3.75Å; F109-F327 HydrophobicContact CG-CD1 3.75Å; F109-F327 AromaticContact CG-CD2 4Å; F109-F327 HydrophobicContact CG-CD2 4Å; F109-F327 AromaticContact CG-CE1 3.98Å; F109-F327 HydrophobicContact CG-CE1 3.98Å; F109-F327 HydrophobicContact CG-CE2 4.21Å; F109-F327 AromaticContact CG-CG 3.75Å; F109-F327 HydrophobicContact CG-CG 3.75Å; F109-F327 HydrophobicContact CG-CZ 4.2Å; F109-F327 HydrophobicContact CZ-CB 4.11Å; F109-F327 HydrophobicContact CZ-CD2 4.27Å; F109-F327 HydrophobicContact CZ-CG 4.31Å; S323-F327 WeakPolarHBondContact O-CB 3.49Å; S323-F327 PolarHBondContact O-N 3.03Å; C324-F327 PolarHBondContact O-N 3.38Å; F327-A355 HydrophobicContact CD1-CB 4.19Å; F327-A355 HydrophobicContact CD2-CB 4.36Å; F327-A355 HydrophobicContact CE1-CB 3.98Å; F327-A355 HydrophobicContact CE2-CB 4.16Å; F327-A355 HydrophobicContact CG-CB 4.38Å; F327-A355 HydrophobicContact CZ-CB 3.96Å; F327-A355 WeakPolarHBondContact O-CB 3.47Å; F327-T356 PolarHBondContact O-N 2.9Å; F327-T356 PolarHBondContact O-OG1 3.28Å; F327-Y359 HydrophobicContact CD1-CE2 4.5Å; F327-Y359 HydrophobicContact CE1-CE2 4.32Å |
| 328 | F | 80 | Confident | 65.3 | Low | 16 Ų | 16 | 71.5 Ų | 71.5 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -81.6 | -23.9 | -173.2 | -66.2 | -72.4 | 0 | 0 | 0 | 114.6 | F109 Y110 F240 C324 T356 Y359 | F109-F328 HydrophobicContact CB-CE2 4.23Å; F109-F328 HydrophobicContact CB-CZ 3.99Å; F109-F328 HydrophobicContact CD1-CE2 4.24Å; Y110-F328 WeakPolarHBondContact O-CZ 3.23Å; F240-F328 HydrophobicContact CB-CD1 3.89Å; F240-F328 HydrophobicContact CB-CD2 4.02Å; F240-F328 HydrophobicContact CB-CE1 3.62Å; F240-F328 HydrophobicContact CB-CE2 3.77Å; F240-F328 HydrophobicContact CB-CG 4.12Å; F240-F328 HydrophobicContact CB-CZ 3.57Å; C324-F328 HydrophobicContact CB-CD2 4.37Å; C324-F328 WeakPolarHBondContact O-CD2 3.37Å; C324-F328 PolarHBondContact O-N 3.05Å; F328-T356 PolarHBondContact O-OG1 2.74Å; F328-T356 VanDerWaalsContact O-OG1 3.11Å; F328-Y359 HydrophobicContact CD1-CD2 4.02Å; F328-Y359 AromaticContact CD1-CE2 3.34Å; F328-Y359 HydrophobicContact CD1-CE2 3.34Å; F328-Y359 AromaticContact CD1-CZ 3.99Å; F328-Y359 AromaticContact CE1-CE2 3.71Å; F328-Y359 HydrophobicContact CE1-CE2 3.71Å; F328-Y359 AromaticContact CE1-CZ 3.89Å; F328-Y359 HydrophobicContact CG-CE2 4.4Å |
| 329 | R | 74.2 | Confident | 62 | Low | 89 Ų | 89 | 79.9 Ų | 79.9 | 34% | 0.336 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -127.2 | -9.5 | -171.8 | -56.9 | -60.3 | -168.8 | 122.1 | 5.7 | 118.2 | W257 D258 H325 T356 | W257-R329 HydrophobicContact CB-CG 3.93Å; W257-R329 HydrophobicContact CG-CG 4.14Å; D258-R329 IonicContact OD1-CZ 2.7Å; D258-R329 IonicContact OD1-NH1 3.55Å; D258-R329 PolarHBondContact OD1-NH1 3.47Å; D258-R329 IonicContact OD1-NH2 2.69Å; D258-R329 IonicContact OD2-CZ 3.32Å; D258-R329 IonicContact OD2-NH1 3.94Å; D258-R329 PolarHBondContact OD2-NH1 3.28Å; D258-R329 VanDerWaalsContact OD2-NH1 3.09Å; D258-R329 IonicContact OD2-NH2 3.77Å; D258-R329 PolarHBondContact OD2-NH2 3.5Å; H325-R329 WeakPolarHBondContact O-CA 3.46Å; H325-R329 VanDerWaalsContact O-CB 3.28Å; H325-R329 WeakPolarHBondContact O-CB 3.36Å; H325-R329 PolarHBondContact O-N 3.01Å; R329-T356 VanDerWaalsContact C-CG2 3.5Å; R329-T356 WeakPolarHBondContact CA-OG1 3.2Å; R329-T356 PolarHBondContact N-OG1 2.91Å |
| 330 | V | 67 | Low | 59.3 | Low | 76 Ų | 76 | 84.9 Ų | 84.9 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 119.2 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | A326 S354 T356 | A326-V330 HydrophobicContact CB-CG2 4.45Å; A326-V330 WeakPolarHBondContact O-CB 3.34Å; A326-V330 PolarHBondContact O-N 2.9Å; V330-S354 VanDerWaalsContact O-CB 3.28Å; V330-S354 WeakPolarHBondContact O-CB 3.4Å; V330-T356 PolarHBondContact N-OG1 3.42Å; V330-T356 WeakPolarHBondContact O-CB 3.24Å; V330-T356 PolarHBondContact O-OG1 3.14Å; V330-T356 VanDerWaalsContact O-OG1 3.08Å |
| 331 | R | 49 | Very low | 56.2 | Low | 147 Ų | 147 | 93.3 Ų | 93.3 | 56% | 0.555 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 139.8 | 168.3 | -65.7 | -172.3 | -175.7 | 158.9 | 5.1 | 111.1 | S354 T356 A357 A360 | R331-S354 VanDerWaalsContact CA-OG 3.3Å; R331-S354 WeakPolarHBondContact CA-OG 3.48Å; R331-T356 HydrophobicContact CG-CG2 3.74Å; R331-A357 HydrophobicContact CG-CB 4.2Å; R331-A360 VanDerWaalsContact NH2-CB 3.3Å |
| 332 | E | 40.1 | Very low | 53.3 | Low | 56 Ų | 56 | 98.6 Ų | 98.6 | 26% | 0.262 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 140.1 | 162.2 | -62.8 | -146.1 | -169.9 | 0 | 0 | 109.1 | N334 S354 R678 | E332-N334 PolarHBondContact O-N 3.1Å; E332-S354 VanDerWaalsContact N-CB 3.32Å; E332-S354 PolarHBondContact N-OG 2.85Å; E332-R678 IonicContact OE1-CZ 2.68Å; E332-R678 IonicContact OE1-NH1 3Å; E332-R678 PolarHBondContact OE1-NH1 3.45Å |
| 333 | P | 31.7 | Very low | 50.3 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 119.1 | -179.3 | 29.6 | -32.9 | 0 | 0 | 0 | 110.5 | S335 | P333-S335 PolarHBondContact O-N 3.48Å; P333-S335 VanDerWaalsContact O-N 3.16Å |
| 334 | N | 29.7 | Very low | 47.6 | Very low | 144 Ų | 144 | 107.2 Ų | 107.2 | 77% | 0.77 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 119.8 | 172.4 | -65.8 | 18.9 | 0 | 0 | 0 | 110 | E332 T336 | E332-N334 PolarHBondContact O-N 3.1Å; N334-T336 VanDerWaalsContact C-N 3.31Å; N334-T336 PolarHBondContact O-N 3.42Å |
| 335 | S | 27.9 | Very low | 44.7 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 87% | 0.867 | 60% | 0.6 | S | S | * | * | trans | -77.1 | 78.3 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | P333 | P333-S335 PolarHBondContact O-N 3.48Å; P333-S335 VanDerWaalsContact O-N 3.16Å | ||
| 336 | T | 28.5 | Very low | 41.8 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 69% | 0.693 | 62% | 0.615 | S | S | * | * | trans | -141.2 | 123.4 | 175.1 | -39 | 0 | 0 | 0 | 0 | 110.4 | N334 | N334-T336 VanDerWaalsContact C-N 3.31Å; N334-T336 PolarHBondContact O-N 3.42Å | ||
| 337 | T | 28.1 | Very low | 39.4 | Very low | 120 Ų | 120 | 122 Ų | 122 | 74% | 0.736 | 63% | 0.633 | S | S | * | * | trans | 66.3 | 82.2 | 171.1 | -46.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 338 | Q | 31 | Very low | 36.7 | Very low | 202 Ų | 202 | 127.4 Ų | 127.4 | 94% | 0.944 | 66% | 0.658 | S | S | * | * | -129.7 | 132 | 120.9 | -77.3 | -150.4 | 7.4 | 0 | 0 | 109.8 | |||||
| 339 | R | 25.6 | Very low | 34.2 | Very low | 233 Ų | 233 | 129.8 Ų | 129.8 | 88% | 0.879 | 68% | 0.681 | S | S | * | * | trans | -99.5 | 126.5 | 177.9 | -65.8 | 174.6 | 175.7 | 166.8 | -3.5 | 109.4 | ||||
| 340 | K | 31.9 | Very low | 32 | Very low | 195 Ų | 195 | 129.4 Ų | 129.4 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | trans | -173.2 | 98.8 | 143.3 | -104.4 | 163.5 | -177.6 | -176.1 | 0 | 112.4 | ||||
| 341 | F | 27.3 | Very low | 30.2 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 83% | 0.829 | 71% | 0.705 | S | S | * | * | trans | 63.2 | 140.8 | 151.3 | -68.7 | -78.9 | 0 | 0 | 0 | 123.8 | ||||
| 342 | T | 30.4 | Very low | 29.5 | Very low | 112 Ų | 112 | 126 Ų | 126 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | trans | 70.6 | 97.8 | 153.4 | 46.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 343 | N | 28.3 | Very low | 29.4 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | 64.7 | 112.7 | 126.4 | -56.4 | -0.5 | 0 | 0 | 0 | 120.4 | |||||
| 344 | G | 28.5 | Very low | 29.9 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | 154.5 | 72.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N346 | G344-N346 PolarHBondContact O-N 3.1Š| ||
| 345 | L | 26.8 | Very low | 30.6 | Very low | 174 Ų | 174 | 118.5 Ų | 118.5 | 91% | 0.911 | 65% | 0.651 | S | S | * | * | trans | -68.5 | 119.7 | 178.3 | -91.5 | 68.2 | 0 | 0 | 0 | 111.1 | ||||
| 346 | N | 27.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | trans | -164 | 148.6 | 153.1 | -117.4 | -39.3 | 0 | 0 | 0 | 112.9 | G344 | G344-N346 PolarHBondContact O-N 3.1Š| ||
| 347 | Q | 30.3 | Very low | 31.9 | Very low | 103 Ų | 103 | 109 Ų | 109 | 48% | 0.481 | 59% | 0.59 | S | S | . | * | trans | 63.6 | 112.6 | 160.2 | -60 | 177.3 | 17.3 | 0 | 0 | 120.3 | N683 | Q347-N683 WeakPolarHBondContact CG-ND2 3.34Å; Q347-N683 PolarHBondContact OE1-ND2 3.45Å | ||
| 348 | Q | 26.7 | Very low | 32.6 | Very low | 138 Ų | 138 | 107.2 Ų | 107.2 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | 21.8 | 130.1 | 123.6 | -58.3 | 142.7 | -58.9 | 0 | 0 | 118.9 | N683 | Q348-N683 PolarHBondContact OE1-ND2 3.09Š| |||
| 349 | A | 28.7 | Very low | 33.3 | Very low | 65 Ų | 65 | 98.6 Ų | 98.6 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | trans | -149.1 | 128.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F679 | A349-F679 HydrophobicContact CB-CD1 3.62Å; A349-F679 HydrophobicContact CB-CE1 3.32Å; A349-F679 HydrophobicContact CB-CG 4.48Å; A349-F679 HydrophobicContact CB-CZ 3.99Å | ||
| 350 | S | 27 | Very low | 34.1 | Very low | 82 Ų | 82 | 88.4 Ų | 88.4 | 57% | 0.573 | 50% | 0.499 | S | S | * | . | trans | -77.9 | 135.8 | 171.3 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | T352 | S350-T352 PolarHBondContact O-N 3.33Å; S350-T352 VanDerWaalsContact O-N 3.15Å | ||
| 351 | S | 29.7 | Very low | 34.4 | Very low | 104 Ų | 104 | 81.1 Ų | 81.1 | 73% | 0.727 | 48% | 0.475 | S | S | * | . | trans | -86.5 | 78.9 | -176.8 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | I353 | S351-I353 VanDerWaalsContact C-N 3.29Å; S351-I353 PolarHBondContact O-N 3.01Å | ||
| 352 | T | 34.6 | Very low | 35.1 | Very low | 46 Ų | 46 | 74 Ų | 74 | 28% | 0.282 | 45% | 0.446 | S | S | . | . | trans | -69.4 | 81.5 | 173 | 52.1 | 0 | 0 | 0 | 0 | 112 | S350 S354 R678 | S350-T352 PolarHBondContact O-N 3.33Å; S350-T352 VanDerWaalsContact O-N 3.15Å; T352-S354 PolarHBondContact O-N 3.04Å; T352-R678 WeakPolarHBondContact OG1-CD 3.38Å | ||
| 353 | I | 37.5 | Very low | 35.4 | Very low | 108 Ų | 108 | 72 Ų | 72 | 55% | 0.554 | 44% | 0.436 | S | S | * | . | trans | -55.6 | 119.7 | 177.7 | -61.9 | 176.6 | 0 | 0 | 0 | 109.6 | S351 A355 A357 | S351-I353 VanDerWaalsContact C-N 3.29Å; S351-I353 PolarHBondContact O-N 3.01Å; I353-A355 PolarHBondContact O-N 2.96Å; I353-A357 HydrophobicContact CG2-CB 3.59Å | ||
| 354 | S | 42.6 | Very low | 36 | Very low | 8 Ų | 8 | 72.3 Ų | 72.3 | 6% | 0.056 | 43% | 0.425 | C | S | . | . | trans | -46.5 | 139.4 | 172.1 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | V330 R331 E332 T352 T356 A357 L358 | V330-S354 VanDerWaalsContact O-CB 3.28Å; V330-S354 WeakPolarHBondContact O-CB 3.4Å; R331-S354 VanDerWaalsContact CA-OG 3.3Å; R331-S354 WeakPolarHBondContact CA-OG 3.48Å; E332-S354 VanDerWaalsContact N-CB 3.32Å; E332-S354 PolarHBondContact N-OG 2.85Å; T352-S354 PolarHBondContact O-N 3.04Å; S354-T356 PolarHBondContact O-N 3.27Å; S354-A357 WeakPolarHBondContact O-CA 3.49Å; S354-A357 PolarHBondContact O-N 3.33Å; S354-A357 VanDerWaalsContact OG-CB 3.26Å; S354-A357 WeakPolarHBondContact OG-CB 3.38Å; S354-A357 PolarHBondContact OG-N 3.12Å; S354-L358 PolarHBondContact O-N 3.03Å | ||
| 355 | A | 43.2 | Very low | 36.5 | Very low | 15 Ų | 15 | 73.7 Ų | 73.7 | 12% | 0.124 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -54.9 | -28.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F327 I353 L358 Y359 | F327-A355 HydrophobicContact CD1-CB 4.19Å; F327-A355 HydrophobicContact CD2-CB 4.36Å; F327-A355 HydrophobicContact CE1-CB 3.98Å; F327-A355 HydrophobicContact CE2-CB 4.16Å; F327-A355 HydrophobicContact CG-CB 4.38Å; F327-A355 HydrophobicContact CZ-CB 3.96Å; F327-A355 WeakPolarHBondContact O-CB 3.47Å; I353-A355 PolarHBondContact O-N 2.96Å; A355-L358 WeakPolarHBondContact O-CB 3.4Å; A355-L358 PolarHBondContact O-N 3.33Å; A355-Y359 HydrophobicContact CB-CD2 4.35Å; A355-Y359 HydrophobicContact CB-CE2 3.84Å; A355-Y359 WeakPolarHBondContact O-CB 3.43Å; A355-Y359 WeakPolarHBondContact O-CD2 3.49Å; A355-Y359 PolarHBondContact O-N 3.29Å |
| 356 | T | 43.3 | Very low | 37 | Very low | 15 Ų | 15 | 69 Ų | 69 | 9% | 0.092 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 171.2 | -51.8 | 0 | 0 | 0 | 0 | 114.1 | F327 F328 R329 V330 R331 S354 L358 A360 | F327-T356 PolarHBondContact O-N 2.9Å; F327-T356 PolarHBondContact O-OG1 3.28Å; F328-T356 PolarHBondContact O-OG1 2.74Å; F328-T356 VanDerWaalsContact O-OG1 3.11Å; R329-T356 VanDerWaalsContact C-CG2 3.5Å; R329-T356 WeakPolarHBondContact CA-OG1 3.2Å; R329-T356 PolarHBondContact N-OG1 2.91Å; V330-T356 PolarHBondContact N-OG1 3.42Å; V330-T356 WeakPolarHBondContact O-CB 3.24Å; V330-T356 PolarHBondContact O-OG1 3.14Å; V330-T356 VanDerWaalsContact O-OG1 3.08Å; R331-T356 HydrophobicContact CG-CG2 3.74Å; S354-T356 PolarHBondContact O-N 3.27Å; T356-L358 VanDerWaalsContact C-N 3.35Å; T356-A360 WeakPolarHBondContact O-CB 3.13Å; T356-A360 PolarHBondContact O-N 2.99Å |
| 357 | A | 40.8 | Very low | 37.4 | Very low | 23 Ų | 23 | 68.2 Ų | 68.2 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.5 | -34.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R331 I353 S354 A360 A361 | R331-A357 HydrophobicContact CG-CB 4.2Å; I353-A357 HydrophobicContact CG2-CB 3.59Å; S354-A357 WeakPolarHBondContact O-CA 3.49Å; S354-A357 PolarHBondContact O-N 3.33Å; S354-A357 VanDerWaalsContact OG-CB 3.26Å; S354-A357 WeakPolarHBondContact OG-CB 3.38Å; S354-A357 PolarHBondContact OG-N 3.12Å; A357-A360 PolarHBondContact O-N 2.88Å; A357-A361 WeakPolarHBondContact O-CB 3.5Å; A357-A361 PolarHBondContact O-N 3.28Å |
| 358 | L | 43.8 | Very low | 37.4 | Very low | 82 Ų | 82 | 66 Ų | 66 | 43% | 0.429 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.2 | -60.3 | 168.2 | -155.6 | 77.7 | 0 | 0 | 0 | 110.4 | S354 A355 T356 A360 A361 M362 | S354-L358 PolarHBondContact O-N 3.03Å; A355-L358 WeakPolarHBondContact O-CB 3.4Å; A355-L358 PolarHBondContact O-N 3.33Å; T356-L358 VanDerWaalsContact C-N 3.35Å; L358-A360 VanDerWaalsContact C-N 3.26Å; L358-A360 PolarHBondContact O-N 3.01Å; L358-A361 WeakPolarHBondContact O-CA 3.25Å; L358-A361 WeakPolarHBondContact O-CB 3.16Å; L358-A361 PolarHBondContact O-N 3.47Å; L358-M362 HydrophobicContact CD2-SD 4.16Å; L358-M362 HydrophobicContact CG-SD 3.86Å; L358-M362 WeakPolarHBondContact O-CB 3.49Å; L358-M362 VanDerWaalsContact O-CG 3.23Å; L358-M362 WeakPolarHBondContact O-CG 3.26Å; L358-M362 PolarHBondContact O-N 2.69Å |
| 359 | Y | 44.6 | Very low | 37.6 | Very low | 21 Ų | 21 | 63.2 Ų | 63.2 | 8% | 0.082 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.7 | -34.5 | 177.8 | -62.5 | -44.3 | 0 | 0 | 0 | 113 | W116 F327 F328 A355 M362 S363 | W116-Y359 AromaticContact CE3-CD1 3.61Å; W116-Y359 HydrophobicContact CE3-CD1 3.61Å; W116-Y359 AromaticContact CE3-CE1 3.46Å; W116-Y359 HydrophobicContact CE3-CE1 3.46Å; W116-Y359 VanDerWaalsContact CE3-CE1 3.46Å; W116-Y359 HydrophobicContact CH2-CD1 4.43Å; W116-Y359 AromaticContact CZ3-CD1 3.46Å; W116-Y359 HydrophobicContact CZ3-CD1 3.46Å; W116-Y359 VanDerWaalsContact CZ3-CD1 3.46Å; W116-Y359 AromaticContact CZ3-CE1 3.66Å; W116-Y359 HydrophobicContact CZ3-CE1 3.66Å; W116-Y359 HydrophobicContact CZ3-CG 4.34Å; F327-Y359 HydrophobicContact CD1-CE2 4.5Å; F327-Y359 HydrophobicContact CE1-CE2 4.32Å; F328-Y359 HydrophobicContact CD1-CD2 4.02Å; F328-Y359 AromaticContact CD1-CE2 3.34Å; F328-Y359 HydrophobicContact CD1-CE2 3.34Å; F328-Y359 AromaticContact CD1-CZ 3.99Å; F328-Y359 AromaticContact CE1-CE2 3.71Å; F328-Y359 HydrophobicContact CE1-CE2 3.71Å; F328-Y359 AromaticContact CE1-CZ 3.89Å; F328-Y359 HydrophobicContact CG-CE2 4.4Å; A355-Y359 HydrophobicContact CB-CD2 4.35Å; A355-Y359 HydrophobicContact CB-CE2 3.84Å; A355-Y359 WeakPolarHBondContact O-CB 3.43Å; A355-Y359 WeakPolarHBondContact O-CD2 3.49Å; A355-Y359 PolarHBondContact O-N 3.29Å; Y359-M362 HydrophobicContact CD1-SD 4.02Å; Y359-S363 WeakPolarHBondContact O-CB 3.47Å; Y359-S363 PolarHBondContact O-N 2.9Å; Y359-S363 PolarHBondContact O-OG 3.49Å |
| 360 | A | 41.7 | Very low | 37.6 | Very low | 18 Ų | 18 | 66.9 Ų | 66.9 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -83.6 | -10.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | R331 T356 A357 L358 R364 | R331-A360 VanDerWaalsContact NH2-CB 3.3Å; T356-A360 WeakPolarHBondContact O-CB 3.13Å; T356-A360 PolarHBondContact O-N 2.99Å; A357-A360 PolarHBondContact O-N 2.88Å; L358-A360 VanDerWaalsContact C-N 3.26Å; L358-A360 PolarHBondContact O-N 3.01Å; A360-R364 PolarHBondContact O-NE 3.01Å; A360-R364 PolarHBondContact O-NH2 3.22Å; A360-R364 VanDerWaalsContact O-NH2 3.12Å |
| 361 | A | 39.5 | Very low | 37.9 | Very low | 42 Ų | 42 | 71.3 Ų | 71.3 | 35% | 0.347 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -83.9 | -52.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | A357 L358 S363 R364 I365 | A357-A361 WeakPolarHBondContact O-CB 3.5Å; A357-A361 PolarHBondContact O-N 3.28Å; L358-A361 WeakPolarHBondContact O-CA 3.25Å; L358-A361 WeakPolarHBondContact O-CB 3.16Å; L358-A361 PolarHBondContact O-N 3.47Å; A361-S363 VanDerWaalsContact C-N 3.29Å; A361-S363 PolarHBondContact O-N 3.47Å; A361-R364 WeakPolarHBondContact O-CA 3.32Å; A361-R364 PolarHBondContact O-N 2.92Å; A361-I365 WeakPolarHBondContact O-CG1 3.48Å; A361-I365 PolarHBondContact O-N 2.87Å |
| 362 | M | 40.8 | Very low | 38 | Very low | 41 Ų | 41 | 73.2 Ų | 73.2 | 20% | 0.202 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -51.7 | -43.8 | 174.7 | -63.4 | 165.4 | 104.8 | 0 | 0 | 112.1 | W116 L358 Y359 R364 I365 A366 | W116-M362 HydrophobicContact CB-CE 3.68Å; W116-M362 HydrophobicContact CD2-CE 4.26Å; W116-M362 HydrophobicContact CG-CE 3.71Å; L358-M362 HydrophobicContact CD2-SD 4.16Å; L358-M362 HydrophobicContact CG-SD 3.86Å; L358-M362 WeakPolarHBondContact O-CB 3.49Å; L358-M362 VanDerWaalsContact O-CG 3.23Å; L358-M362 WeakPolarHBondContact O-CG 3.26Å; L358-M362 PolarHBondContact O-N 2.69Å; Y359-M362 HydrophobicContact CD1-SD 4.02Å; M362-R364 VanDerWaalsContact C-N 3.26Å; M362-R364 PolarHBondContact O-N 3.43Å; M362-I365 PolarHBondContact O-N 3.24Å; M362-A366 VanDerWaalsContact O-CB 3.28Å; M362-A366 WeakPolarHBondContact O-CB 3.37Å; M362-A366 PolarHBondContact O-N 3.25Å |
| 363 | S | 38.1 | Very low | 37.6 | Very low | 69 Ų | 69 | 78.7 Ų | 78.7 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.6 | -26.4 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 113.9 | Y359 A361 S367 | Y359-S363 WeakPolarHBondContact O-CB 3.47Å; Y359-S363 PolarHBondContact O-N 2.9Å; Y359-S363 PolarHBondContact O-OG 3.49Å; A361-S363 VanDerWaalsContact C-N 3.29Å; A361-S363 PolarHBondContact O-N 3.47Å; S363-S367 PolarHBondContact O-OG 3.28Å |
| 364 | R | 39.6 | Very low | 37.2 | Very low | 170 Ų | 170 | 75.6 Ų | 75.6 | 64% | 0.642 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -85 | -31.6 | 175.9 | -79.1 | 179.3 | -76.5 | 174 | 3.5 | 111.9 | A360 A361 M362 S367 | A360-R364 PolarHBondContact O-NE 3.01Å; A360-R364 PolarHBondContact O-NH2 3.22Å; A360-R364 VanDerWaalsContact O-NH2 3.12Å; A361-R364 WeakPolarHBondContact O-CA 3.32Å; A361-R364 PolarHBondContact O-N 2.92Å; M362-R364 VanDerWaalsContact C-N 3.26Å; M362-R364 PolarHBondContact O-N 3.43Å; R364-S367 PolarHBondContact O-OG 2.82Å |
| 365 | I | 39.6 | Very low | 36.5 | Very low | 103 Ų | 103 | 80.7 Ų | 80.7 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 170.5 | -63.3 | 163.7 | 0 | 0 | 0 | 110.3 | A361 M362 S367 G368 F369 | A361-I365 WeakPolarHBondContact O-CG1 3.48Å; A361-I365 PolarHBondContact O-N 2.87Å; M362-I365 PolarHBondContact O-N 3.24Å; I365-S367 VanDerWaalsContact C-N 3.26Å; I365-S367 PolarHBondContact O-N 2.84Å; I365-G368 PolarHBondContact O-N 3.4Å; I365-F369 HydrophobicContact CG2-CD2 4.37Å; I365-F369 PolarHBondContact O-N 3.27Å; I365-F369 VanDerWaalsContact O-N 3.14Å |
| 366 | A | 36.7 | Very low | 35.7 | Very low | 77 Ų | 77 | 84 Ų | 84 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.5 | -25.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M362 G368 | M362-A366 VanDerWaalsContact O-CB 3.28Å; M362-A366 WeakPolarHBondContact O-CB 3.37Å; M362-A366 PolarHBondContact O-N 3.25Å; A366-G368 VanDerWaalsContact C-N 3.33Å |
| 367 | S | 36.2 | Very low | 34.9 | Very low | 102 Ų | 102 | 90.1 Ų | 90.1 | 71% | 0.713 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.5 | 170.3 | 44.9 | 0 | 0 | 0 | 0 | 114.4 | S363 R364 I365 | S363-S367 PolarHBondContact O-OG 3.28Å; R364-S367 PolarHBondContact O-OG 2.82Å; I365-S367 VanDerWaalsContact C-N 3.26Å; I365-S367 PolarHBondContact O-N 2.84Å |
| 368 | G | 30.2 | Very low | 34.3 | Very low | 57 Ų | 57 | 98.1 Ų | 98.1 | 59% | 0.588 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -44.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I365 A366 Q370 | I365-G368 PolarHBondContact O-N 3.4Å; A366-G368 VanDerWaalsContact C-N 3.33Å; G368-Q370 PolarHBondContact O-N 2.88Å |
| 369 | F | 32 | Very low | 33.5 | Very low | 79 Ų | 79 | 98.9 Ų | 98.9 | 35% | 0.346 | 51% | 0.508 | S | S | . | . | trans | -99.5 | 80.8 | -166.3 | -79.9 | -84.3 | 0 | 0 | 0 | 115.2 | I365 R371 A1043 D1044 | I365-F369 HydrophobicContact CG2-CD2 4.37Å; I365-F369 PolarHBondContact O-N 3.27Å; I365-F369 VanDerWaalsContact O-N 3.14Å; F369-R371 PolarHBondContact O-N 3.04Å; F369-A1043 WeakPolarHBondContact CD1-O 3.26Å; F369-A1043 HydrophobicContact CD2-CB 4.41Å; F369-A1043 HydrophobicContact CE1-CB 3.91Å; F369-A1043 WeakPolarHBondContact CE1-O 3.36Å; F369-A1043 HydrophobicContact CE2-CB 3.65Å; F369-A1043 WeakPolarHBondContact CG-O 3.33Å; F369-A1043 HydrophobicContact CZ-CB 3.36Å; F369-D1044 HydrophobicContact CD1-CB 3.79Å; F369-D1044 HydrophobicContact CE1-CB 3.82Å | ||
| 370 | Q | 29.1 | Very low | 32.6 | Very low | 143 Ų | 143 | 99.5 Ų | 99.5 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 51.4 | 156.6 | -163.2 | -177.1 | -4.7 | 0 | 0 | 110.8 | G368 | G368-Q370 PolarHBondContact O-N 2.88Š|
| 371 | R | 31.5 | Very low | 31.8 | Very low | 174 Ų | 174 | 106.1 Ų | 106.1 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.4 | 11.2 | -176.7 | -148.3 | 174 | -77.9 | -173.3 | -1.9 | 117.6 | F369 F373 D1044 | F369-R371 PolarHBondContact O-N 3.04Å; R371-F373 PolarHBondContact O-N 3.13Å; R371-D1044 HydrophobicContact CB-CB 4.1Å |
| 372 | Y | 32.9 | Very low | 31.1 | Very low | 144 Ų | 144 | 106.9 Ų | 106.9 | 57% | 0.565 | 55% | 0.55 | S | S | * | * | trans | -69.6 | 35.9 | 169.8 | -118.9 | -88 | 0 | 0 | 0 | 113.7 | L1042 A1043 D1044 G1045 | Y372-L1042 PolarHBondContact OH-O 2.91Å; Y372-L1042 VanDerWaalsContact OH-O 3.08Å; Y372-A1043 WeakPolarHBondContact CD2-O 3.34Å; Y372-A1043 WeakPolarHBondContact CE2-O 3.35Å; Y372-D1044 WeakPolarHBondContact CA-O 3.46Å; Y372-G1045 VanDerWaalsContact CE1-CA 3.45Å; Y372-G1045 VanDerWaalsContact CE2-N 3.35Å; Y372-G1045 VanDerWaalsContact CZ-N 3.31Å; Y372-G1045 VanDerWaalsContact OH-CA 3.26Å; Y372-G1045 WeakPolarHBondContact OH-CA 3.36Å | ||
| 373 | F | 25.9 | Very low | 30.3 | Very low | 162 Ų | 162 | 110 Ų | 110 | 71% | 0.711 | 57% | 0.572 | S | S | * | * | trans | -83.1 | 107 | 161.7 | -85.9 | -62.9 | 0 | 0 | 0 | 108.8 | R371 I375 | R371-F373 PolarHBondContact O-N 3.13Å; F373-I375 HydrophobicContact CB-CD1 4.4Å; F373-I375 HydrophobicContact CD1-CD1 3.58Å; F373-I375 HydrophobicContact CD1-CG1 4.15Å; F373-I375 HydrophobicContact CE1-CD1 4.17Å; F373-I375 HydrophobicContact CG-CD1 4.32Å | ||
| 374 | S | 28.4 | Very low | 29.8 | Very low | 43 Ų | 43 | 111.1 Ų | 111.1 | 30% | 0.301 | 59% | 0.585 | S | S | . | * | -161.7 | 123 | 114.9 | 41.8 | 0 | 0 | 0 | 0 | 107.6 | N1049 | S374-N1049 WeakPolarHBondContact CB-ND2 3.49Å; S374-N1049 PolarHBondContact O-OD1 3.3Å; S374-N1049 PolarHBondContact OG-ND2 3.39Å | |||
| 375 | I | 29.2 | Very low | 29.1 | Very low | 115 Ų | 115 | 109.1 Ų | 109.1 | 59% | 0.59 | 59% | 0.592 | S | S | * | * | 60.9 | 123.3 | 52.7 | -54.7 | 170.9 | 0 | 0 | 0 | 110.4 | F373 N1049 | F373-I375 HydrophobicContact CB-CD1 4.4Å; F373-I375 HydrophobicContact CD1-CD1 3.58Å; F373-I375 HydrophobicContact CD1-CG1 4.15Å; F373-I375 HydrophobicContact CE1-CD1 4.17Å; F373-I375 HydrophobicContact CG-CD1 4.32Å; I375-N1049 PolarHBondContact O-ND2 2.99Å | |||
| 376 | T | 26.2 | Very low | 28.6 | Very low | 83 Ų | 83 | 109.3 Ų | 109.3 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | trans | 58.7 | 123.6 | 175 | 41.6 | 0 | 0 | 0 | 0 | 114.7 | N1049 H1053 | T376-N1049 PolarHBondContact O-ND2 2.84Å; T376-N1049 VanDerWaalsContact O-ND2 3.16Å; T376-N1049 PolarHBondContact O-OD1 2.67Å; T376-H1053 VanDerWaalsContact C-CE1 3.48Å; T376-H1053 PolarHBondContact O-CE1 3.16Å; T376-H1053 PolarHBondContact O-ND1 3.27Å | ||
| 377 | R | 26.2 | Very low | 28 | Very low | 144 Ų | 144 | 113.6 Ų | 113.6 | 54% | 0.543 | 61% | 0.612 | S | S | . | * | cis | -145 | 136.3 | 31.1 | -49.4 | 174.7 | -166.9 | 167.4 | 1.1 | 111.4 | H1053 | R377-H1053 HydrophobicContact CB-CB 4.49Å; R377-H1053 WeakPolarHBondContact CB-CD2 3.38Å; R377-H1053 HydrophobicContact CG-CB 4.06Å; R377-H1053 PolarHBondContact N-CD2 3.46Å; R377-H1053 PolarHBondContact N-CE1 2.93Å; R377-H1053 PolarHBondContact N-ND1 2.67Å; R377-H1053 PolarHBondContact N-NE2 3.18Å; R377-H1053 PolarHBondContact O-CD2 2.95Å; R377-H1053 PolarHBondContact O-NE2 3.02Å | ||
| 378 | R | 28.5 | Very low | 27.7 | Very low | 191 Ų | 191 | 112 Ų | 112 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | 65.7 | 117.5 | 105.1 | -58.2 | 175.3 | -161.9 | -163.9 | 0.1 | 114.9 | |||||
| 379 | S | 25.8 | Very low | 27.7 | Very low | 98 Ų | 98 | 115.3 Ų | 115.3 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | 62.4 | 94.9 | 53.1 | 90.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 380 | S | 26.2 | Very low | 27.4 | Very low | 34 Ų | 34 | 115.4 Ų | 115.4 | 24% | 0.238 | 63% | 0.63 | C | S | . | * | -143.7 | 158.9 | 121.2 | 32.9 | 0 | 0 | 0 | 0 | 107 | P974 P975 | S380-P974 VanDerWaalsContact OG-CA 3.31Å; S380-P974 WeakPolarHBondContact OG-CA 3.29Å; S380-P974 WeakPolarHBondContact OG-CB 3.36Å; S380-P975 VanDerWaalsContact C-CD 3.47Å; S380-P975 WeakPolarHBondContact CB-O 3.33Å; S380-P975 WeakPolarHBondContact O-CD 3.47Å; S380-P975 VanDerWaalsContact OG-N 3.13Å; S380-P975 PolarHBondContact OG-O 2.78Å | |||
| 381 | L | 25.3 | Very low | 27.3 | Very low | 158 Ų | 158 | 111.1 Ų | 111.1 | 83% | 0.827 | 62% | 0.624 | S | S | * | * | cis | 45.2 | 104.8 | -10 | -58.2 | 98.2 | 0 | 0 | 0 | 116.4 | ||||
| 382 | S | 25.2 | Very low | 27.3 | Very low | 57 Ų | 57 | 106.3 Ų | 106.3 | 40% | 0.399 | 63% | 0.629 | S | S | . | * | cis | -150.3 | 169.7 | 23.2 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | P975 R976 | S382-P975 WeakPolarHBondContact O-CB 3.25Å; S382-R976 CarbonylContact O-C 3.52Å | ||
| 383 | T | 24.2 | Very low | 27.5 | Very low | 107 Ų | 107 | 102.8 Ų | 102.8 | 66% | 0.656 | 62% | 0.622 | S | S | * | * | -150.2 | 153.6 | 71.2 | 31.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 384 | A | 26 | Very low | 27.8 | Very low | 93 Ų | 93 | 97.8 Ų | 97.8 | 77% | 0.769 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 156.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 385 | T | 26.5 | Very low | 28.5 | Very low | 127 Ų | 127 | 103.3 Ų | 103.3 | 78% | 0.779 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 149.8 | 143 | 39.9 | 0 | 0 | 0 | 0 | 108.5 | ||
| 386 | P | 27.7 | Very low | 29.6 | Very low | 107 Ų | 107 | 98.9 Ų | 98.9 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -83.4 | 165.5 | -158.4 | 32.6 | -37.2 | 0 | 0 | 0 | 114.8 | ||
| 387 | N | 25.8 | Very low | 30.7 | Very low | 167 Ų | 167 | 97.9 Ų | 97.9 | 89% | 0.893 | 60% | 0.6 | S | S | * | * | trans | 88.5 | 66.7 | 168.6 | -48.5 | -29.4 | 0 | 0 | 0 | 117.3 | ||||
| 388 | G | 28.4 | Very low | 31.6 | Very low | 68 Ų | 68 | 91.1 Ų | 91.1 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | trans | -166 | 131.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V390 | G388-V390 PolarHBondContact O-N 2.85Š| ||
| 389 | P | 30.1 | Very low | 32.6 | Very low | 127 Ų | 127 | 83.9 Ų | 83.9 | 83% | 0.825 | 55% | 0.552 | S | S | * | * | trans | -86.2 | 111.6 | -173.4 | 31.6 | -33.2 | 0 | 0 | 0 | 114.1 | ||||
| 390 | V | 27.1 | Very low | 33.7 | Very low | 81 Ų | 81 | 82.3 Ų | 82.3 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | trans | 48 | 119.3 | 143.9 | -163.8 | 0 | 0 | 0 | 0 | 119.6 | T162 E164 G388 | T162-V390 HydrophobicContact CG2-CG1 4.03Å; E164-V390 HydrophobicContact CB-CB 4.23Å; E164-V390 HydrophobicContact CB-CG1 4.18Å; E164-V390 HydrophobicContact CG-CB 4.2Å; E164-V390 HydrophobicContact CG-CG1 4.33Å; E164-V390 HydrophobicContact CG-CG2 4.1Å; G388-V390 PolarHBondContact O-N 2.85Å | ||
| 391 | G | 26.1 | Very low | 34.7 | Very low | 54 Ų | 54 | 82 Ų | 82 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | trans | 145.6 | 120 | 154.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E165 | E165-G391 WeakPolarHBondContact OE1-CA 3.44Š| ||
| 392 | G | 31.1 | Very low | 36 | Very low | 73 Ų | 73 | 78.2 Ų | 78.2 | 75% | 0.753 | 51% | 0.508 | S | S | * | . | trans | 160.1 | 106.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 393 | V | 36.7 | Very low | 37.1 | Very low | 70 Ų | 70 | 78.7 Ų | 78.7 | 42% | 0.424 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 144.5 | -174.7 | -168.7 | 0 | 0 | 0 | 0 | 113.1 | L158 R395 | L158-V393 WeakPolarHBondContact O-CG2 3.5Å; V393-R395 PolarHBondContact O-N 2.99Å |
| 394 | G | 33.4 | Very low | 38.2 | Very low | 56 Ų | 56 | 77.8 Ų | 77.8 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 118.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 395 | R | 43.7 | Very low | 39.4 | Very low | 160 Ų | 160 | 74 Ų | 74 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 135.5 | -175.6 | -61.6 | 174.6 | 177.6 | 174.5 | -3.5 | 111.8 | V393 T399 | V393-R395 PolarHBondContact O-N 2.99Å; R395-T399 HydrophobicContact CB-CG2 4.24Å; R395-T399 HydrophobicContact CG-CG2 4.16Å |
| 396 | T | 52.1 | Low | 40.1 | Very low | 21 Ų | 21 | 71 Ų | 71 | 13% | 0.129 | 44% | 0.441 | C | S | . | . | trans | -94.7 | 179.5 | 179.1 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | E120 P200 A201 S398 T399 L400 | E120-T396 WeakPolarHBondContact OE1-CB 3.43Å; P200-T396 HydrophobicContact CB-CG2 3.66Å; P200-T396 HydrophobicContact CG-CG2 3.79Å; A201-T396 HydrophobicContact CB-CG2 4.29Å; T396-S398 VanDerWaalsContact C-N 3.25Å; T396-S398 PolarHBondContact O-N 2.99Å; T396-T399 PolarHBondContact N-OG1 3.2Å; T396-T399 PolarHBondContact O-N 3.37Å; T396-T399 PolarHBondContact OG1-OG1 2.61Å; T396-L400 VanDerWaalsContact O-CB 3.28Å; T396-L400 WeakPolarHBondContact O-CB 3.48Å; T396-L400 PolarHBondContact O-N 2.95Å | ||
| 397 | L | 48.8 | Very low | 40.6 | Very low | 63 Ų | 63 | 68.2 Ų | 68.2 | 33% | 0.33 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65 | -34.8 | 174.3 | -170.9 | 65.6 | 0 | 0 | 0 | 110.4 | E120 L400 M401 | E120-L397 WeakPolarHBondContact OE1-CA 3.47Å; E120-L397 WeakPolarHBondContact OE1-CB 3.29Å; E120-L397 PolarHBondContact OE1-N 3.08Å; L397-L400 HydrophobicContact CD1-CD2 4.17Å; L397-L400 PolarHBondContact O-N 3.49Å; L397-M401 HydrophobicContact CD1-CE 4.21Å; L397-M401 HydrophobicContact CD1-CG 4.33Å; L397-M401 HydrophobicContact CG-CG 4.27Å; L397-M401 WeakPolarHBondContact O-CB 3.48Å; L397-M401 VanDerWaalsContact O-CG 3.31Å; L397-M401 WeakPolarHBondContact O-CG 3.47Å; L397-M401 PolarHBondContact O-N 3.5Å |
| 398 | S | 45 | Very low | 41.1 | Very low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -50.7 | -57.4 | 168.2 | -55 | 0 | 0 | 0 | 0 | 111.6 | E120 Y124 E204 T396 L400 M401 E402 | E120-S398 PolarHBondContact OE1-N 2.84Å; Y124-S398 WeakPolarHBondContact CB-OG 3.48Å; Y124-S398 VanDerWaalsContact CD2-CB 3.49Å; E204-S398 PolarHBondContact OE1-OG 2.84Å; E204-S398 PolarHBondContact OE2-OG 3.09Å; T396-S398 VanDerWaalsContact C-N 3.25Å; T396-S398 PolarHBondContact O-N 2.99Å; S398-L400 PolarHBondContact O-N 3.38Å; S398-M401 PolarHBondContact O-N 2.81Å; S398-E402 PolarHBondContact O-N 3.24Å |
| 399 | T | 50.3 | Low | 41.5 | Very low | 40 Ų | 40 | 63.2 Ų | 63.2 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.5 | -31.6 | 0 | 0 | 0 | 0 | 112.3 | R395 T396 M401 E402 L403 | R395-T399 HydrophobicContact CB-CG2 4.24Å; R395-T399 HydrophobicContact CG-CG2 4.16Å; T396-T399 PolarHBondContact N-OG1 3.2Å; T396-T399 PolarHBondContact O-N 3.37Å; T396-T399 PolarHBondContact OG1-OG1 2.61Å; T399-M401 VanDerWaalsContact C-N 3.34Å; T399-M401 PolarHBondContact O-N 3.24Å; T399-E402 WeakPolarHBondContact O-CB 3.44Å; T399-E402 PolarHBondContact O-N 2.96Å; T399-L403 HydrophobicContact CG2-CD1 4.33Å; T399-L403 WeakPolarHBondContact O-CB 3.37Å; T399-L403 VanDerWaalsContact O-CG 3.31Å; T399-L403 WeakPolarHBondContact O-CG 3.26Å; T399-L403 PolarHBondContact O-N 3.5Å |
| 400 | L | 47.2 | Very low | 41.5 | Very low | 64 Ų | 64 | 64.8 Ų | 64.8 | 34% | 0.335 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | -179.7 | -167.1 | 74.3 | 0 | 0 | 0 | 111.8 | T396 L397 S398 R404 | T396-L400 VanDerWaalsContact O-CB 3.28Å; T396-L400 WeakPolarHBondContact O-CB 3.48Å; T396-L400 PolarHBondContact O-N 2.95Å; L397-L400 HydrophobicContact CD1-CD2 4.17Å; L397-L400 PolarHBondContact O-N 3.49Å; S398-L400 PolarHBondContact O-N 3.38Å; L400-R404 WeakPolarHBondContact O-CB 3.46Å; L400-R404 WeakPolarHBondContact O-CG 3.39Å; L400-R404 PolarHBondContact O-N 3.15Å |
| 401 | M | 48.2 | Very low | 41.7 | Very low | 27 Ų | 27 | 65.9 Ų | 65.9 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76.7 | -28 | 174.2 | -69.9 | -55.6 | -163.2 | 0 | 0 | 112.1 | E60 Y121 L397 S398 T399 R405 | E60-M401 HydrophobicContact CB-CE 4.49Å; Y121-M401 HydrophobicContact CD2-CB 3.59Å; Y121-M401 HydrophobicContact CD2-CG 3.94Å; Y121-M401 HydrophobicContact CE2-CB 3.49Å; Y121-M401 VanDerWaalsContact CE2-CB 3.49Å; Y121-M401 HydrophobicContact CE2-CG 4.25Å; Y121-M401 HydrophobicContact CG-CB 4.44Å; Y121-M401 HydrophobicContact CG-CG 4.36Å; L397-M401 HydrophobicContact CD1-CE 4.21Å; L397-M401 HydrophobicContact CD1-CG 4.33Å; L397-M401 HydrophobicContact CG-CG 4.27Å; L397-M401 WeakPolarHBondContact O-CB 3.48Å; L397-M401 VanDerWaalsContact O-CG 3.31Å; L397-M401 WeakPolarHBondContact O-CG 3.47Å; L397-M401 PolarHBondContact O-N 3.5Å; S398-M401 PolarHBondContact O-N 2.81Å; T399-M401 VanDerWaalsContact C-N 3.34Å; T399-M401 PolarHBondContact O-N 3.24Å; M401-R405 VanDerWaalsContact O-CB 3.31Å; M401-R405 WeakPolarHBondContact O-CB 3.23Å; M401-R405 WeakPolarHBondContact O-CG 3.47Å; M401-R405 PolarHBondContact O-N 3.17Å; M401-R405 PolarHBondContact O-NE 2.93Å |
| 402 | E | 53.2 | Low | 41.9 | Very low | 80 Ų | 80 | 72.1 Ų | 72.1 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.2 | -50.3 | 167 | -167.4 | 142.3 | -132.1 | 0 | 0 | 111.8 | Y124 S398 T399 R404 R405 S406 | Y124-E402 PolarHBondContact OH-OE1 2.75Å; Y124-E402 PolarHBondContact OH-OE2 3.09Å; S398-E402 PolarHBondContact O-N 3.24Å; T399-E402 WeakPolarHBondContact O-CB 3.44Å; T399-E402 PolarHBondContact O-N 2.96Å; E402-R404 VanDerWaalsContact C-N 3.27Å; E402-R404 PolarHBondContact O-N 3.13Å; E402-R405 VanDerWaalsContact CA-NH2 3.26Å; E402-R405 PolarHBondContact O-N 3.01Å; E402-R405 IonicContact OE1-NH2 3.8Å; E402-S406 PolarHBondContact O-N 3.01Å; E402-S406 PolarHBondContact O-OG 3.33Å |
| 403 | L | 47.1 | Very low | 41.7 | Very low | 66 Ų | 66 | 72.2 Ų | 72.2 | 35% | 0.346 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62 | -31 | 173.8 | -67.2 | 167.6 | 0 | 0 | 0 | 112.9 | T399 S406 S407 | T399-L403 HydrophobicContact CG2-CD1 4.33Å; T399-L403 WeakPolarHBondContact O-CB 3.37Å; T399-L403 VanDerWaalsContact O-CG 3.31Å; T399-L403 WeakPolarHBondContact O-CG 3.26Å; T399-L403 PolarHBondContact O-N 3.5Å; L403-S406 PolarHBondContact O-OG 3.38Å; L403-S407 WeakPolarHBondContact O-CB 3.49Å; L403-S407 PolarHBondContact O-N 2.98Å |
| 404 | R | 47.9 | Very low | 41.3 | Very low | 89 Ų | 89 | 77.7 Ų | 77.7 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -78.4 | -20.9 | 172.2 | -78.9 | 176.8 | 170.7 | 154 | 1.4 | 114 | L400 E402 S407 R408 | L400-R404 WeakPolarHBondContact O-CB 3.46Å; L400-R404 WeakPolarHBondContact O-CG 3.39Å; L400-R404 PolarHBondContact O-N 3.15Å; E402-R404 VanDerWaalsContact C-N 3.27Å; E402-R404 PolarHBondContact O-N 3.13Å; R404-S407 CarbonylContact O-C 3.58Å; R404-R408 WeakPolarHBondContact O-CG 3.22Å; R404-R408 PolarHBondContact O-N 2.69Å |
| 405 | R | 49.8 | Very low | 41 | Very low | 12 Ų | 12 | 80.3 Ų | 80.3 | 5% | 0.045 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -86.2 | -41.1 | 178.3 | -79.4 | 173.7 | -61.4 | 143.1 | 10.8 | 112.5 | D34 F58 Y121 Y124 M401 E402 S407 R408 A409 | D34-R405 IonicContact OD2-CZ 3.97Å; D34-R405 IonicContact OD2-NH1 3.94Å; D34-R405 PolarHBondContact OD2-NH1 3.07Å; D34-R405 IonicContact OD2-NH2 3.7Å; F58-R405 HydrophobicContact CE1-CG 4.36Å; Y121-R405 WeakPolarHBondContact OH-CD 3.45Å; Y121-R405 VanDerWaalsContact OH-CZ 3.23Å; Y121-R405 PolarHBondContact OH-NE 2.75Å; Y121-R405 PolarHBondContact OH-NH1 3.29Å; Y124-R405 PolarHBondContact OH-NH2 3.33Å; M401-R405 VanDerWaalsContact O-CB 3.31Å; M401-R405 WeakPolarHBondContact O-CB 3.23Å; M401-R405 WeakPolarHBondContact O-CG 3.47Å; M401-R405 PolarHBondContact O-N 3.17Å; M401-R405 PolarHBondContact O-NE 2.93Å; E402-R405 VanDerWaalsContact CA-NH2 3.26Å; E402-R405 PolarHBondContact O-N 3.01Å; E402-R405 IonicContact OE1-NH2 3.8Å; R405-S407 PolarHBondContact O-N 3.18Å; R405-R408 PolarHBondContact O-N 2.75Å; R405-A409 PolarHBondContact O-N 3.12Å |
| 406 | S | 42.3 | Very low | 40.4 | Very low | 65 Ų | 65 | 80.8 Ų | 80.8 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -53.6 | -44.7 | 162.9 | 55.4 | 0 | 0 | 0 | 0 | 109.4 | E402 L403 R408 | E402-S406 PolarHBondContact O-N 3.01Å; E402-S406 PolarHBondContact O-OG 3.33Å; L403-S406 PolarHBondContact O-OG 3.38Å; S406-R408 PolarHBondContact O-N 2.8Å |
| 407 | S | 37.5 | Very low | 39.3 | Very low | 49 Ų | 49 | 84 Ų | 84 | 34% | 0.343 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 13.3 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 117.5 | L403 R404 R405 | L403-S407 WeakPolarHBondContact O-CB 3.49Å; L403-S407 PolarHBondContact O-N 2.98Å; R404-S407 CarbonylContact O-C 3.58Å; R405-S407 PolarHBondContact O-N 3.18Å |
| 408 | R | 37.9 | Very low | 38.5 | Very low | 80 Ų | 80 | 85.4 Ų | 85.4 | 30% | 0.302 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | -8.1 | 172.9 | -76 | -174.4 | -165.6 | 162.1 | 14.9 | 115.6 | F58 E60 R404 R405 S406 F410 D411 | F58-R408 HydrophobicContact CE2-CB 4.2Å; E60-R408 IonicContact OE1-CZ 3.66Å; E60-R408 IonicContact OE1-NH1 3.34Å; E60-R408 PolarHBondContact OE1-NH1 3.31Å; E60-R408 IonicContact OE1-NH2 2.87Å; E60-R408 PolarHBondContact OE1-NH2 3.33Å; R404-R408 WeakPolarHBondContact O-CG 3.22Å; R404-R408 PolarHBondContact O-N 2.69Å; R405-R408 PolarHBondContact O-N 2.75Å; S406-R408 PolarHBondContact O-N 2.8Å; R408-F410 PolarHBondContact O-N 2.79Å; R408-F410 VanDerWaalsContact O-N 3.12Å; R408-D411 PolarHBondContact O-N 2.83Å |
| 409 | A | 36.6 | Very low | 37.7 | Very low | 50 Ų | 50 | 89.4 Ų | 89.4 | 41% | 0.413 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -60.2 | -20.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F58 R405 | F58-A409 HydrophobicContact CZ-CB 4.44Å; R405-A409 PolarHBondContact O-N 3.12Å |
| 410 | F | 30 | Very low | 36.7 | Very low | 159 Ų | 159 | 96.6 Ų | 96.6 | 70% | 0.697 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -97.7 | -37.5 | 178.4 | -84.9 | -98.8 | 0 | 0 | 0 | 114.7 | R408 R412 S413 | R408-F410 PolarHBondContact O-N 2.79Å; R408-F410 VanDerWaalsContact O-N 3.12Å; F410-R412 PolarHBondContact O-N 2.96Å; F410-S413 PolarHBondContact O-N 3.19Å |
| 411 | D | 30.7 | Very low | 35.7 | Very low | 104 Ų | 104 | 103.9 Ų | 103.9 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 14.1 | -168.6 | -76.9 | -32.5 | 0 | 0 | 0 | 116.7 | R408 | R408-D411 PolarHBondContact O-N 2.83Š|
| 412 | R | 30.3 | Very low | 35 | Very low | 185 Ų | 185 | 107.5 Ų | 107.5 | 70% | 0.698 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | 14.5 | 169.6 | -78.5 | -168.5 | 169.8 | -175 | -2.9 | 114.6 | F410 | F410-R412 PolarHBondContact O-N 2.96Š|
| 413 | S | 27.6 | Very low | 33.8 | Very low | 76 Ų | 76 | 110.2 Ų | 110.2 | 53% | 0.531 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -101.1 | 130.4 | 161.2 | -69.3 | 0 | 0 | 0 | 0 | 110 | F410 | F410-S413 PolarHBondContact O-N 3.19Š|
| 414 | F | 26.8 | Very low | 33.2 | Very low | 184 Ų | 184 | 115.8 Ų | 115.8 | 81% | 0.807 | 57% | 0.572 | S | S | * | * | trans | 68.8 | 101.5 | 179.5 | -65.6 | -87.3 | 0 | 0 | 0 | 118 | ||||
| 415 | S | 28.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 59% | 0.593 | S | S | * | * | trans | -150.8 | 153.3 | 141.7 | -86.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 416 | R | 29.7 | Very low | 31.7 | Very low | 170 Ų | 170 | 122.6 Ų | 122.6 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | trans | 73.7 | 69.4 | 176.1 | -57.6 | -170.6 | 177.1 | -129.9 | -6.3 | 118.5 | Y22 | Y22-R416 PolarHBondContact OH-O 2.9Š| ||
| 417 | T | 29 | Very low | 31.2 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 55% | 0.546 | 64% | 0.637 | S | S | . | * | 48.7 | 127.9 | 119 | 56.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 418 | H | 32.2 | Very low | 30.8 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 43% | 0.426 | 65% | 0.653 | S | S | . | * | -179.5 | 167 | 99.5 | -97.8 | -60.5 | 0 | 0 | 0 | 113.4 | E15 R19 | E15-H418 PolarHBondContact O-CD2 2.65Å; E15-H418 PolarHBondContact O-NE2 2.8Å; R19-H418 WeakPolarHBondContact CD-O 3.34Å; R19-H418 HydrophobicContact CG-CB 4.33Å; R19-H418 VanDerWaalsContact CZ-C 3.45Å; R19-H418 VanDerWaalsContact NE-C 3.29Å; R19-H418 PolarHBondContact NE-O 3.47Å | |||
| 419 | S | 28.1 | Very low | 30.5 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | trans | -124.3 | 165.6 | -170.8 | 176.9 | 0 | 0 | 0 | 0 | 114.2 | R19 | R19-S419 VanDerWaalsContact CZ-O 3.3Å; R19-S419 PolarHBondContact NH1-O 2.91Å; R19-S419 PolarHBondContact NH2-O 2.9Å | ||
| 420 | R | 29.5 | Very low | 30.1 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | trans | 86.1 | 149 | 176.3 | -52.1 | 162.9 | -175.1 | -177.5 | 1.9 | 114.9 | R19 | R19-R420 PolarHBondContact NH1-O 3.26Š| ||
| 421 | R | 28 | Very low | 30.2 | Very low | 218 Ų | 218 | 134 Ų | 134 | 82% | 0.823 | 68% | 0.682 | S | S | * | * | cis | -161.7 | 179.5 | -2.7 | -124.8 | 172.6 | -172.3 | -178.3 | 1.1 | 114 | ||||
| 422 | S | 31.8 | Very low | 30 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | trans | 82.6 | 90.7 | 153.7 | 59.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 423 | N | 29.2 | Very low | 30.1 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | 45.4 | 132.2 | 111.5 | -56.5 | 15.9 | 0 | 0 | 0 | 121.2 | |||||
| 424 | H | 33.7 | Very low | 30.4 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 85% | 0.852 | 71% | 0.709 | S | S | * | * | -156 | 156 | 91.5 | -116.1 | -89.8 | 0 | 0 | 0 | 114.9 | |||||
| 425 | L | 30.7 | Very low | 30.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | trans | -80.8 | -177.5 | 175.4 | -111.1 | 78.7 | 0 | 0 | 0 | 111.2 | ||||
| 426 | P | 36.1 | Very low | 30.9 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 61% | 0.61 | 70% | 0.702 | S | S | * | * | cis | -146.7 | 176 | 24.1 | 46 | -26.9 | 0 | 0 | 0 | 118.8 | ||||
| 427 | Q | 32.4 | Very low | 30.8 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | trans | 54.1 | 155.5 | 135.1 | -76.9 | 175.9 | -24.6 | 0 | 0 | 122.6 | ||||
| 428 | V | 28.4 | Very low | 31.1 | Very low | 111 Ų | 111 | 135 Ų | 135 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | cis | -169.1 | 175.1 | -29.2 | 100.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 429 | N | 32 | Very low | 31.1 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | 73 | 151.7 | 170.7 | -74.9 | -15.9 | 0 | 0 | 0 | 118.3 | ||||
| 430 | S | 28.2 | Very low | 31.5 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 57% | 0.566 | 74% | 0.744 | S | S | * | * | cis | -179.5 | 174 | -30.1 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 431 | I | 30.5 | Very low | 31.5 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 68% | 0.677 | 75% | 0.745 | S | S | * | * | trans | 78.6 | 103.9 | 154.7 | -65.8 | 162 | 0 | 0 | 0 | 118.1 | ||||
| 432 | Q | 28.4 | Very low | 31.6 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 62 | 166.5 | 136.4 | -56.1 | 173.3 | -9 | 0 | 0 | 117.8 | ||||
| 433 | I | 32.6 | Very low | 31.4 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | cis | -135.3 | 151.9 | 20.1 | -69.1 | 170.1 | 0 | 0 | 0 | 112.7 | ||||
| 434 | A | 32.4 | Very low | 31.4 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -15.7 | 154.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 435 | S | 30.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -73.7 | 164.2 | 155.3 | -41.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 436 | P | 36.9 | Very low | 31 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | -139.6 | 147.9 | 93.3 | 35.9 | -22 | 0 | 0 | 0 | 112.5 | |||||
| 437 | S | 27.2 | Very low | 30.6 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | 68.8 | 81.5 | 42.9 | 83.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 438 | F | 34.1 | Very low | 30.4 | Very low | 209 Ų | 209 | 126.8 Ų | 126.8 | 92% | 0.917 | 74% | 0.735 | S | S | * | * | trans | -143.3 | 137.7 | 153.5 | -99.2 | -76.5 | 0 | 0 | 0 | 112.5 | ||||
| 439 | K | 33 | Very low | 30.6 | Very low | 191 Ų | 191 | 125 Ų | 125 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -95.1 | -177.7 | 162.4 | -71.2 | -174.6 | 170.3 | -177.5 | 0 | 107.3 | ||||
| 440 | P | 36 | Very low | 30.8 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | cis | -152.5 | -171.2 | 17.8 | 48.7 | -27.9 | 0 | 0 | 0 | 118.6 | ||||
| 441 | D | 29.8 | Very low | 31.2 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 63.1 | 141.2 | 142 | -60.6 | -23.8 | 0 | 0 | 0 | 125.8 | ||||
| 442 | S | 29.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 87.8 | 99.9 | 134 | 66.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 443 | S | 27.8 | Very low | 31.8 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | 79.2 | 156.4 | 113.6 | 76.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 444 | T | 30.3 | Very low | 32 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | 59 | 120.2 | 160.5 | 52.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 445 | S | 27.5 | Very low | 32.1 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | 94.8 | 147.7 | 30.9 | 75.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 446 | L | 29 | Very low | 32.1 | Very low | 153 Ų | 153 | 126 Ų | 126 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | trans | 74.7 | 147.4 | 169.8 | -47.8 | -179.3 | 0 | 0 | 0 | 114.7 | ||||
| 447 | L | 27.8 | Very low | 31.8 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | cis | -161.6 | 161.3 | -27.2 | -154.6 | 74.7 | 0 | 0 | 0 | 109.9 | ||||
| 448 | S | 26.6 | Very low | 31.9 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 40.9 | 131.4 | 146.3 | 60.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 449 | G | 32.8 | Very low | 31.7 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -163.8 | 33.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 450 | N | 35.9 | Very low | 31.4 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | -69.6 | 159.1 | 172.6 | -68 | -7.5 | 0 | 0 | 0 | 111.1 | ||||
| 451 | P | 37.7 | Very low | 31.1 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | -148.9 | 141.6 | 106.9 | 34.1 | -16.4 | 0 | 0 | 0 | 117 | |||||
| 452 | I | 35.5 | Very low | 30.9 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | 72.4 | 138.1 | 129.4 | -64.6 | 174 | 0 | 0 | 0 | 117.4 | |||||
| 453 | D | 36 | Very low | 30.7 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -146.3 | 158.9 | 20.4 | -143.4 | -28.8 | 0 | 0 | 0 | 115.3 | ||||
| 454 | S | 35.9 | Very low | 30.7 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | trans | 52.9 | 148 | 142.6 | -76.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 455 | I | 34.6 | Very low | 30.4 | Very low | 147 Ų | 147 | 132 Ų | 132 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | -169.8 | 153.8 | -3.1 | -112.9 | 167.4 | 0 | 0 | 0 | 106 | ||||
| 456 | N | 30.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | cis | -166.1 | 166.1 | -27 | -141.9 | -22.9 | 0 | 0 | 0 | 109.5 | ||||
| 457 | T | 31 | Very low | 30.7 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | 58.7 | 151 | 156.8 | 47.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 458 | T | 28.3 | Very low | 30.9 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | cis | -171.3 | 145.8 | -37 | 19.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 459 | G | 30.4 | Very low | 31.2 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 114.1 | 121.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 460 | N | 27.3 | Very low | 31.4 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 68 | 131.4 | 132.3 | -79.9 | -10.7 | 0 | 0 | 0 | 124.3 | ||||
| 461 | Q | 28.5 | Very low | 31.3 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | 86 | 155 | 140.2 | -73.8 | -179.7 | 56 | 0 | 0 | 121.1 | ||||
| 462 | S | 25.3 | Very low | 31.1 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -91.3 | 167.4 | -162.6 | -37.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 463 | K | 25.6 | Very low | 31.2 | Very low | 206 Ų | 206 | 133.2 Ų | 133.2 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | 104.4 | 153.9 | 162.3 | -59.7 | 177.3 | 179.6 | 176.6 | 0 | 116.6 | ||||
| 464 | S | 27.4 | Very low | 31.2 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -53 | 155.2 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 465 | Y | 24.9 | Very low | 31.2 | Very low | 231 Ų | 231 | 136 Ų | 136 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | -159.9 | 166.2 | 110.6 | -119.6 | -86.6 | 0 | 0 | 0 | 111.3 | |||||
| 466 | A | 33.2 | Very low | 31.2 | Very low | 82 Ų | 82 | 132 Ų | 132 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -121.2 | 157.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 467 | Q | 29.4 | Very low | 31.4 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -154.2 | 168.1 | 167.4 | -119.1 | 168.1 | 19.7 | 0 | 0 | 114.5 | ||||
| 468 | V | 32 | Very low | 31.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -150.2 | 145.7 | -149.5 | 164 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 469 | P | 32.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -82.1 | 152.3 | 169 | 33.1 | -33.7 | 0 | 0 | 0 | 113.1 | ||||
| 470 | P | 36.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | -127.4 | 163.7 | -127.7 | 40.9 | -29.9 | 0 | 0 | 0 | 118.4 | |||||
| 471 | G | 34.1 | Very low | 32.2 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 114.6 | 141.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 472 | A | 34.4 | Very low | 32.4 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -163.4 | 143.2 | -4.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 473 | K | 36.5 | Very low | 32.7 | Very low | 196 Ų | 196 | 129 Ų | 129 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | 67.2 | 145.5 | 153.5 | -67.3 | -176.6 | -179.3 | -177.9 | 0 | 120.4 | ||||
| 474 | I | 36 | Very low | 33 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | cis | -165.9 | 145.2 | -24.9 | -130.7 | 172.4 | 0 | 0 | 0 | 111.6 | ||||
| 475 | T | 36.2 | Very low | 33.2 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 52.6 | 144.8 | 163.4 | 56.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 476 | G | 35.6 | Very low | 33.4 | Very low | 62 Ų | 62 | 119.5 Ų | 119.5 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | 162.4 | 155.2 | -11.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 477 | S | 34.8 | Very low | 33.3 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 62.6 | 155.6 | 164.1 | 45.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 478 | A | 34 | Very low | 33.1 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | cis | 179.8 | 168 | -16.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 479 | S | 33.5 | Very low | 32.9 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | cis | -171.3 | 164.3 | -26.6 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 480 | S | 33.1 | Very low | 32.5 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 65.9 | 129.3 | 151.8 | 57 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 481 | G | 33.9 | Very low | 31.9 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -170.6 | 146.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 482 | I | 31.6 | Very low | 31.5 | Very low | 154 Ų | 154 | 124.8 Ų | 124.8 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -149.6 | 166.8 | -160.1 | -77.8 | 153.6 | 0 | 0 | 0 | 112.9 | ||||
| 483 | L | 32.8 | Very low | 31 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 77.4 | 131.3 | -178.7 | -59.7 | 120 | 0 | 0 | 0 | 114.6 | ||||
| 484 | S | 30.6 | Very low | 30.4 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | 69.6 | 141.9 | 52.2 | 79.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 485 | D | 32.4 | Very low | 29.9 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | cis | -146.5 | -144.1 | 29.8 | -152.9 | -60.1 | 0 | 0 | 0 | 113.3 | ||||
| 486 | S | 29.6 | Very low | 29.5 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -121 | -176.8 | -153.4 | 60.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 487 | K | 30.9 | Very low | 29 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 104.4 | 99.5 | 156.5 | -71.8 | 175.2 | -177.6 | 171.1 | 0 | 122.3 | ||||
| 488 | T | 25.3 | Very low | 28.9 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | 58.6 | 148.8 | 122.5 | 47.4 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 489 | T | 26.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 135 Ų | 135 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | 82 | 103.4 | 144.6 | 38 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 490 | R | 24.2 | Very low | 28.5 | Very low | 237 Ų | 237 | 136.4 Ų | 136.4 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | 72.9 | 125.9 | 109.2 | -157.8 | -164.6 | 177.7 | 177.1 | -0.3 | 119.5 | |||||
| 491 | S | 25.2 | Very low | 28.3 | Very low | 91 Ų | 91 | 140 Ų | 140 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | 83.8 | 120.6 | 141.5 | 155.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 492 | S | 25.1 | Very low | 28.3 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | 94.6 | 125.7 | 130 | -69.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 493 | Y | 23.7 | Very low | 28.3 | Very low | 209 Ų | 209 | 140.5 Ų | 140.5 | 82% | 0.82 | 74% | 0.735 | S | S | * | * | trans | 62.2 | 134 | 133 | -72.8 | -60.7 | 0 | 0 | 0 | 123.6 | ||||
| 494 | R | 24.1 | Very low | 28 | Very low | 218 Ų | 218 | 139.7 Ų | 139.7 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | trans | 73.6 | 98 | 139.5 | -76.6 | -176.6 | 172.1 | -161.6 | -2.9 | 121 | ||||
| 495 | S | 26 | Very low | 28 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | 37.4 | 107.3 | 109.4 | 65.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 496 | S | 26.4 | Very low | 27.7 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | -166.1 | 114.5 | 139.8 | 47 | 0 | 0 | 0 | 0 | 108 | ||||
| 497 | T | 26.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | 57.4 | 101.1 | 75.7 | 65.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 498 | N | 31.4 | Very low | 27.5 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -159.1 | 115 | 131.9 | -92.4 | -23.8 | 0 | 0 | 0 | 107.8 | ||||
| 499 | Q | 27.3 | Very low | 27.6 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | 79.7 | 95.6 | 70.1 | -76.2 | -169.3 | 29.9 | 0 | 0 | 113.4 | |||||
| 500 | N | 32.2 | Very low | 27.7 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | -163 | 124.5 | 124.8 | -99.7 | -52.2 | 0 | 0 | 0 | 109.9 | |||||
| 501 | R | 30.3 | Very low | 27.8 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 73% | 0.725 | 73% | 0.734 | S | S | * | * | 52.2 | 148.7 | 129.2 | -58.1 | -174.9 | 141.5 | 127.2 | -7.2 | 121.4 | |||||
| 502 | E | 32.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 137 Ų | 137 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | cis | -171.7 | 144.8 | -14.5 | -107 | 149.3 | -170.7 | 0 | 0 | 104.8 | ||||
| 503 | S | 31.2 | Very low | 27.9 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | cis | -161.9 | 176.7 | -15.5 | 65.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 504 | N | 27.9 | Very low | 28.1 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 36.7 | 112.3 | 149.6 | -52.1 | -21.8 | 0 | 0 | 0 | 120.2 | ||||
| 505 | N | 30.4 | Very low | 28.3 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | 178 | 152.4 | 93.3 | -98.4 | -38.7 | 0 | 0 | 0 | 117.5 | |||||
| 506 | V | 25.9 | Very low | 28.2 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | trans | -56.9 | 140.1 | 162 | -164 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 507 | L | 26.8 | Very low | 28.3 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | -167 | 148.1 | 124.6 | -131.3 | 74.4 | 0 | 0 | 0 | 114.5 | |||||
| 508 | S | 29 | Very low | 28.5 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -95.9 | 132.9 | 161.4 | -49.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 509 | S | 27.1 | Very low | 28.3 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -153 | 132 | 164.9 | 49.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 510 | H | 28.5 | Very low | 28.6 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | cis | 66.3 | 81 | 14.9 | -86 | -75.1 | 0 | 0 | 0 | 116.4 | ||||
| 511 | T | 26.2 | Very low | 28.5 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | trans | -157.8 | 115.6 | 150 | 19.2 | 0 | 0 | 0 | 0 | 106.4 | I513 | T511-I513 HydrophobicContact CG2-CG1 4.01Š| ||
| 512 | S | 26.7 | Very low | 28.7 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | 60.4 | 67.5 | 13.2 | -54.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 513 | I | 27 | Very low | 28.7 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | -110.9 | 92.7 | 163.6 | -59 | -178.4 | 0 | 0 | 0 | 108.5 | T511 | T511-I513 HydrophobicContact CG2-CG1 4.01Š| ||
| 514 | N | 27.8 | Very low | 28.9 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -88.6 | 100.8 | 159.2 | -94.7 | -16.5 | 0 | 0 | 0 | 108.1 | ||||
| 515 | T | 28 | Very low | 29.3 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | -148.2 | 106.4 | 161.1 | 47.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 516 | S | 24.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | 76.4 | 92 | 56.5 | 81.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 517 | G | 27.4 | Very low | 29.9 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | 87.5 | 150.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 518 | K | 30.9 | Very low | 30 | Very low | 216 Ų | 216 | 131.8 Ų | 131.8 | 94% | 0.939 | 74% | 0.741 | S | S | * | * | cis | -133.6 | 156.8 | 6 | -71.4 | 176.6 | 179.9 | 172.7 | 0 | 111.7 | ||||
| 519 | A | 27.7 | Very low | 30 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -64.9 | 151.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 520 | K | 33.5 | Very low | 30 | Very low | 212 Ų | 212 | 131.3 Ų | 131.3 | 92% | 0.922 | 73% | 0.733 | S | S | * | * | -151.9 | 81.7 | 128.9 | -112.6 | 172.3 | -174.7 | -178.6 | 0 | 113 | |||||
| 521 | K | 30 | Very low | 30 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 23.9 | 118.9 | 134.2 | -166.1 | -166.5 | -177 | -176.6 | 0 | 117.8 | ||||
| 522 | L | 33.4 | Very low | 30.1 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | 149.3 | 125.9 | 134.1 | -80 | 169.7 | 0 | 0 | 0 | 109.1 | ||||
| 523 | T | 32.8 | Very low | 30.1 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 59% | 0.589 | 73% | 0.731 | S | S | * | * | cis | -172 | 157.7 | -27.8 | 7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 524 | T | 34.8 | Very low | 30.1 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | trans | 49.7 | 133.6 | 149.6 | 57.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 525 | D | 36 | Very low | 30.1 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | cis | -175.1 | 162.9 | 7.6 | -99.1 | -14.1 | 0 | 0 | 0 | 106.3 | ||||
| 526 | M | 35 | Very low | 30.1 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | cis | -159.7 | 158 | -15.2 | -132.3 | -175.9 | 153.9 | 0 | 0 | 108.8 | ||||
| 527 | E | 33.9 | Very low | 30.3 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | 61.8 | 158.6 | 144.2 | -62.1 | -135.6 | 116.3 | 0 | 0 | 122.8 | ||||
| 528 | N | 28.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | cis | -157.9 | 134.5 | -49 | -124.6 | -28.8 | 0 | 0 | 0 | 111.7 | ||||
| 529 | S | 28.9 | Very low | 30.2 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | 48.3 | 158.9 | 124.9 | -67.2 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 530 | T | 28.3 | Very low | 30.3 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | trans | 70.6 | 115.7 | 154.1 | 39.7 | 0 | 0 | 0 | 0 | 117.1 | V532 | T530-V532 HydrophobicContact CG2-CG2 4.19Š| ||
| 531 | N | 28.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | 61.1 | 169.1 | 55.5 | -61.9 | -46.3 | 0 | 0 | 0 | 113.6 | |||||
| 532 | V | 27.2 | Very low | 30.1 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | trans | 96.1 | 74.3 | 158.7 | -165.4 | 0 | 0 | 0 | 0 | 116.9 | T530 | T530-V532 HydrophobicContact CG2-CG2 4.19Š| ||
| 533 | I | 27.8 | Very low | 29.8 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 65% | 0.651 | 69% | 0.691 | S | S | * | * | 76.8 | 143.5 | 109.2 | -115.8 | 161.3 | 0 | 0 | 0 | 120.8 | |||||
| 534 | R | 26.6 | Very low | 29.6 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | 77 | 144.4 | 149 | -87.7 | 176 | -163.1 | 140 | -0.8 | 121.9 | ||||
| 535 | L | 27.8 | Very low | 29.4 | Very low | 151 Ų | 151 | 135 Ų | 135 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | 65.5 | 141.2 | 140.3 | -66.1 | 168.3 | 0 | 0 | 0 | 117.6 | ||||
| 536 | S | 27.2 | Very low | 29.1 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | cis | -172.4 | -167.2 | -3 | 48.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 537 | S | 28.7 | Very low | 29.2 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | trans | 62.7 | 97.6 | 150.4 | 50.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 538 | H | 29.9 | Very low | 28.8 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | 92.9 | 149.1 | 65.2 | -85.1 | -50.3 | 0 | 0 | 0 | 112.6 | |||||
| 539 | S | 27.9 | Very low | 28.9 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | 80.9 | 126.1 | 155.5 | 88 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 540 | K | 29.9 | Very low | 28.9 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | 77.1 | 139.7 | 92.3 | -70.8 | 179.4 | 175.8 | -174.8 | 0 | 110.9 | |||||
| 541 | Q | 29.3 | Very low | 28.8 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | cis | -165.2 | 168.7 | -3.4 | -122.7 | 171.4 | -67.5 | 0 | 0 | 107.8 | ||||
| 542 | N | 29.5 | Very low | 29.3 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | 65.2 | 122.1 | 150.7 | -67.3 | 12.4 | 0 | 0 | 0 | 117.1 | ||||
| 543 | Y | 26 | Very low | 29.3 | Very low | 206 Ų | 206 | 137.2 Ų | 137.2 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | 72.4 | 134.2 | 76.1 | -84 | -70.1 | 0 | 0 | 0 | 114.9 | |||||
| 544 | N | 28.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 138 Ų | 138 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | trans | 86.7 | 137 | 149.7 | -72.5 | 24.7 | 0 | 0 | 0 | 122.2 | ||||
| 545 | E | 31.2 | Very low | 29.6 | Very low | 156 Ų | 156 | 135 Ų | 135 | 73% | 0.729 | 70% | 0.703 | S | S | * | * | trans | 66.7 | 131 | 150.2 | -68.5 | 142.6 | -133.2 | 0 | 0 | 119 | ||||
| 546 | M | 30.1 | Very low | 29.7 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | cis | 73.4 | 150.2 | 39.7 | -65.8 | -100 | 143.8 | 0 | 0 | 113.8 | I708 | M546-I708 HydrophobicContact CE-CD1 3.86Å; M546-I708 HydrophobicContact CE-CG1 4.46Å | ||
| 547 | P | 36.7 | Very low | 30 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | cis | -140.1 | -176.1 | -50 | 39.1 | -23.3 | 0 | 0 | 0 | 112.7 | ||||
| 548 | S | 26.1 | Very low | 30.2 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | 72 | 175 | 145.2 | 80.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 549 | Q | 30.2 | Very low | 30.6 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | trans | 75.1 | 145 | 178.4 | -52.6 | -166.8 | 64.8 | 0 | 0 | 115.5 | ||||
| 550 | R | 28.6 | Very low | 30.9 | Very low | 213 Ų | 213 | 133.4 Ų | 133.4 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | cis | -170.4 | 163.9 | -21.7 | -112.9 | 169 | -177.8 | 162.4 | -11.5 | 106.4 | ||||
| 551 | N | 27.9 | Very low | 31.1 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | -52.1 | 151 | 167.2 | -49.8 | -14.3 | 0 | 0 | 0 | 111.8 | T553 | N551-T553 HydrophobicContact CB-CG2 4.15Š| ||
| 552 | P | 37.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | -113.9 | 148.6 | 72.5 | -4.5 | 26.1 | 0 | 0 | 0 | 112 | |||||
| 553 | T | 27.4 | Very low | 31.7 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | cis | 65.4 | 142.8 | 44.8 | 69.1 | 0 | 0 | 0 | 0 | 116.4 | N551 | N551-T553 HydrophobicContact CB-CG2 4.15Š| ||
| 554 | N | 28 | Very low | 32 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | trans | 86.4 | 142.8 | 166.6 | -57.1 | -18.1 | 0 | 0 | 0 | 115.8 | ||||
| 555 | I | 32.6 | Very low | 32 | Very low | 138 Ų | 138 | 137 Ų | 137 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | cis | -150.3 | 139.7 | 6.8 | -135.8 | 161.3 | 0 | 0 | 0 | 115 | ||||
| 556 | T | 31.2 | Very low | 32.2 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | 53.6 | 143.7 | 156 | 55.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 557 | S | 32.2 | Very low | 32.2 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | 80.6 | 137.5 | 138.3 | 68.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 558 | N | 33.7 | Very low | 32 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | cis | -156.7 | 156.4 | -7.8 | -118.9 | -0.1 | 0 | 0 | 0 | 113.5 | ||||
| 559 | H | 38.8 | Very low | 32.3 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | trans | 48.7 | 123.1 | 163.6 | -61.6 | -63.1 | 0 | 0 | 0 | 119 | ||||
| 560 | S | 33.3 | Very low | 32.3 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 57% | 0.566 | 73% | 0.732 | S | S | * | * | cis | 73.1 | 145.5 | 41.5 | 101.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 561 | D | 35 | Very low | 32.5 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | cis | -136.7 | 145.2 | 14.3 | -107.8 | -60.5 | 0 | 0 | 0 | 117.3 | ||||
| 562 | K | 32 | Very low | 32.8 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | trans | 14.2 | 162.6 | 140.2 | -77 | 175.9 | 179.4 | 167.3 | 0 | 124.7 | ||||
| 563 | P | 37.5 | Very low | 32.5 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -107.1 | 174 | -168 | 42.6 | -35.6 | 0 | 0 | 0 | 114.5 | ||||
| 564 | L | 33 | Very low | 33.2 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | trans | -125.5 | 114.2 | 163.3 | -91.6 | 168.3 | 0 | 0 | 0 | 114.1 | ||||
| 565 | R | 29.1 | Very low | 33.5 | Very low | 226 Ų | 226 | 137.1 Ų | 137.1 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -54.3 | 176.2 | 144.3 | -97.1 | -173.2 | 174.9 | -163.6 | 1.8 | 110.9 | ||||
| 566 | P | 35.1 | Very low | 33.6 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | cis | -135 | -172.6 | -32.4 | 38.4 | -22.6 | 0 | 0 | 0 | 111.4 | ||||
| 567 | K | 31.2 | Very low | 33.5 | Very low | 203 Ų | 203 | 136 Ų | 136 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | -166.5 | 142.2 | 127.3 | -106.3 | 156.9 | -172.6 | 177.6 | 0 | 112.8 | |||||
| 568 | P | 32.3 | Very low | 33.4 | Very low | 99 Ų | 99 | 137 Ų | 137 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | trans | -102.9 | -150.4 | 172.3 | 41.3 | -33.6 | 0 | 0 | 0 | 111 | ||||
| 569 | F | 31.1 | Very low | 33 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | trans | 80.4 | 117.4 | -171.1 | -62.5 | -94.7 | 0 | 0 | 0 | 112.4 | ||||
| 570 | K | 30 | Very low | 32.5 | Very low | 183 Ų | 183 | 134 Ų | 134 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | 67 | 133.7 | 53.2 | -65.6 | -177.1 | 171 | -175.5 | 0 | 112.6 | |||||
| 571 | I | 32.7 | Very low | 32.3 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | 171.7 | 157.7 | 109.2 | -86.6 | 166.3 | 0 | 0 | 0 | 107.7 | |||||
| 572 | T | 35 | Very low | 31.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | 62 | 142.6 | -173.5 | 61.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 573 | S | 31.8 | Very low | 31.7 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | cis | 143.8 | 146.1 | -11.1 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 574 | P | 42 | Very low | 31.2 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | -127.5 | -176.3 | -57.8 | 21.4 | 1.6 | 0 | 0 | 0 | 114.1 | |||||
| 575 | V | 34.1 | Very low | 31 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | 59.1 | 154.7 | 152.2 | -74.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 576 | N | 34.2 | Very low | 31.1 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | cis | -112.7 | 139 | -6.9 | -71.9 | -64.5 | 0 | 0 | 0 | 109.2 | ||||
| 577 | S | 29.3 | Very low | 30.9 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 56% | 0.559 | 75% | 0.748 | S | S | * | * | cis | 109.2 | 125.3 | 10.4 | 78.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 578 | V | 29.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | trans | 82.1 | 92.6 | 133.3 | 170.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 579 | T | 26.8 | Very low | 30.7 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | 64.2 | 169.2 | 133.3 | 70.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 580 | G | 27.1 | Very low | 30.6 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 155.2 | 93.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 581 | A | 29.9 | Very low | 30.8 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -97.4 | 158.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 582 | A | 27.3 | Very low | 30.5 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | trans | 80.1 | 140.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 583 | T | 27.4 | Very low | 30.1 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 66.8 | 107 | 145.5 | 33.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 584 | R | 27.6 | Very low | 29.9 | Very low | 224 Ų | 224 | 133.6 Ų | 133.6 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | 151.6 | 139.3 | 91.7 | -100.5 | 168.1 | -177.2 | -161.5 | 1.4 | 112.7 | |||||
| 585 | V | 28.2 | Very low | 29.1 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | trans | 65.1 | 132 | 142.5 | 174.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 586 | S | 30.7 | Very low | 28.9 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | cis | -159 | 153.9 | 5.6 | -133.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 587 | Q | 31.6 | Very low | 28.7 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | 63.6 | 145.4 | 155 | -61.7 | -178.9 | 46.6 | 0 | 0 | 117.7 | ||||
| 588 | R | 28.2 | Very low | 28.9 | Very low | 198 Ų | 198 | 133.8 Ų | 133.8 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | cis | -156.1 | 131.5 | -1.8 | -143.9 | 178.1 | 179.9 | -174 | 2.9 | 110.5 | ||||
| 589 | R | 30.3 | Very low | 28.8 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 73% | 0.725 | 74% | 0.743 | S | S | * | * | trans | 62.5 | 131.8 | 156.8 | -73.3 | -169.9 | 165.4 | 154.3 | -0 | 117.8 | ||||
| 590 | Q | 30.3 | Very low | 29 | Very low | 147 Ų | 147 | 138 Ų | 138 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | 63.3 | 135.2 | 69.9 | -63.4 | 170.7 | -22.6 | 0 | 0 | 112.2 | |||||
| 591 | H | 32.5 | Very low | 29.1 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | cis | -154.5 | 161.8 | 15.3 | -130.3 | -43.8 | 0 | 0 | 0 | 113.2 | ||||
| 592 | N | 26.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 58% | 0.583 | 75% | 0.746 | S | S | * | * | trans | 16.6 | 132.9 | 139.2 | -81.8 | -5.4 | 0 | 0 | 0 | 121.5 | ||||
| 593 | Q | 27.5 | Very low | 29.3 | Very low | 145 Ų | 145 | 148 Ų | 148 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | 75.6 | 134.7 | 128.6 | -65.2 | 171.2 | 23.7 | 0 | 0 | 121.2 | |||||
| 594 | Q | 26.9 | Very low | 29.4 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | 69 | 124.4 | 142.8 | -70.5 | 174.4 | -11.2 | 0 | 0 | 121.6 | ||||
| 595 | S | 26.2 | Very low | 29.6 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | 70.1 | 145.8 | 142 | 52.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 596 | S | 29.9 | Very low | 29.9 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | 57.4 | 113.4 | 155.6 | 45.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 597 | V | 28.8 | Very low | 30 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | 51.4 | 110.4 | 76 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 598 | P | 34.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | -144.8 | -179.1 | 83.5 | 40.7 | -24.5 | 0 | 0 | 0 | 116.5 | |||||
| 599 | L | 25.7 | Very low | 30.4 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -67.3 | 152.4 | 170.2 | -53.4 | 70.1 | 0 | 0 | 0 | 110.7 | ||||
| 600 | Q | 32.5 | Very low | 30.5 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 93% | 0.925 | 74% | 0.737 | S | S | * | * | -162.3 | 160.5 | 110.6 | -110.9 | 169.5 | -19.2 | 0 | 0 | 114.7 | |||||
| 601 | N | 28.7 | Very low | 30.7 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -80.2 | -178.4 | -175.8 | -81.8 | -36 | 0 | 0 | 0 | 113.4 | ||||
| 602 | Q | 29.3 | Very low | 30.7 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | 77.2 | 139.1 | 154.3 | -76.6 | 170.2 | 17.8 | 0 | 0 | 116.1 | ||||
| 603 | H | 32.2 | Very low | 30.9 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | cis | 172.8 | 162.1 | -12.2 | -134.8 | -24.5 | 0 | 0 | 0 | 103.8 | ||||
| 604 | Q | 29.7 | Very low | 31.1 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 68 | 161.6 | 161.7 | -59.3 | 159.4 | 7 | 0 | 0 | 112.8 | ||||
| 605 | E | 32.4 | Very low | 31.5 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | cis | -140.5 | 165.2 | 26.1 | -95.8 | -164.6 | 133.3 | 0 | 0 | 115.8 | ||||
| 606 | T | 34 | Very low | 31.8 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 63% | 0.632 | 73% | 0.725 | S | S | * | * | trans | 68.8 | 104.3 | 148.2 | 51.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 607 | N | 31.5 | Very low | 31.9 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | 54.6 | 120 | 107.9 | -53.7 | -10.4 | 0 | 0 | 0 | 121.6 | |||||
| 608 | S | 34.6 | Very low | 31.9 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | 172.7 | 108.1 | 110 | 55.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 609 | S | 33.7 | Very low | 31.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | 63.5 | 132.3 | 92.5 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 610 | S | 33.7 | Very low | 31.7 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | cis | -173 | 160.3 | 12.3 | 41.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 611 | H | 35.1 | Very low | 31.6 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | trans | 71 | 150.5 | 143.2 | -70.2 | -4.5 | 0 | 0 | 0 | 119.7 | ||||
| 612 | Q | 32.4 | Very low | 31.5 | Very low | 123 Ų | 123 | 134 Ų | 134 | 58% | 0.575 | 70% | 0.703 | S | S | * | * | cis | -159 | 149.1 | -21.3 | -118.6 | 170.5 | -26 | 0 | 0 | 108.3 | ||||
| 613 | Q | 30 | Very low | 31.6 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | 51.3 | 143.4 | 104 | -70.1 | 177.7 | -15.6 | 0 | 0 | 115.9 | |||||
| 614 | H | 31.4 | Very low | 31.3 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 68% | 0.676 | 69% | 0.689 | S | S | * | * | cis | -163.9 | -171.8 | 9.8 | -125.6 | -29.1 | 0 | 0 | 0 | 112.4 | ||||
| 615 | H | 34.9 | Very low | 31.2 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | trans | 71.5 | 149.9 | 159 | -52.3 | -42.3 | 0 | 0 | 0 | 118.6 | ||||
| 616 | H | 32.9 | Very low | 31.1 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 65% | 0.648 | 69% | 0.694 | S | S | * | * | cis | -168.3 | 170.7 | -32.1 | -111.8 | -28.7 | 0 | 0 | 0 | 109.9 | ||||
| 617 | H | 33.5 | Very low | 30.8 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | 45.3 | 114.7 | 163.4 | -74.6 | -85.1 | 0 | 0 | 0 | 118.4 | ||||
| 618 | S | 28 | Very low | 31.1 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | 74.3 | 126.7 | 64.3 | -170.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 619 | T | 27.4 | Very low | 31 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | trans | 66 | 124 | 152.4 | 38.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 620 | V | 28.2 | Very low | 30.8 | Very low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 70% | 0.697 | S | S | * | * | 88.8 | 111.8 | 129.3 | 168.2 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 621 | I | 29.3 | Very low | 30.7 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 73% | 0.728 | 70% | 0.697 | S | S | * | * | trans | 74.1 | 120.2 | 140.4 | -71 | 177.8 | 0 | 0 | 0 | 121.5 | ||||
| 622 | N | 28.6 | Very low | 30.6 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | trans | 59.6 | 139.3 | 142.7 | -72.5 | 28.1 | 0 | 0 | 0 | 126.5 | ||||
| 623 | D | 29.9 | Very low | 30.6 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | 105 | 113 | 126.4 | -93.2 | -52.1 | 0 | 0 | 0 | 122.8 | |||||
| 624 | C | 26.9 | Very low | 30.7 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 54% | 0.541 | 71% | 0.706 | S | S | . | * | trans | 56 | 115.3 | 131.1 | -84.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 625 | K | 28.1 | Very low | 30.7 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 71% | 0.706 | S | S | * | * | 98 | 147.7 | 115.1 | -78.3 | 170 | -174.7 | 155.1 | 0 | 121.4 | |||||
| 626 | I | 30.1 | Very low | 30.5 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 83% | 0.831 | 71% | 0.708 | S | S | * | * | trans | 96.5 | 146.2 | 149.5 | -74.6 | 151.7 | 0 | 0 | 0 | 119.6 | ||||
| 627 | L | 27.4 | Very low | 30.3 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 81% | 0.806 | 71% | 0.708 | S | S | * | * | trans | -117.7 | -167.3 | -170.2 | -119 | 72.6 | 0 | 0 | 0 | 107.5 | ||||
| 628 | P | 38.3 | Very low | 30.1 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 58% | 0.584 | 71% | 0.705 | S | S | * | * | cis | -142.7 | -163.7 | -32 | 36.8 | -15.8 | 0 | 0 | 0 | 114.4 | ||||
| 629 | K | 31.1 | Very low | 30.2 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 71% | 0.707 | S | S | * | * | trans | 87.4 | 121.8 | 141.5 | -82.3 | 174.1 | -171.1 | 169.1 | 0 | 122.7 | ||||
| 630 | K | 30.6 | Very low | 30.4 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | 94 | 129.5 | 121.1 | -89.3 | -165.7 | 161.7 | -166.2 | 0 | 123.8 | |||||
| 631 | V | 30.9 | Very low | 30.4 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.655 | 71% | 0.708 | S | S | * | * | 107.4 | 149.2 | 120.4 | 152.8 | 0 | 0 | 0 | 0 | 122 | |||||
| 632 | Q | 32.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 141 Ų | 141 | 73% | 0.729 | 71% | 0.707 | S | S | * | * | trans | 84.6 | 138.7 | 168.6 | -87.5 | 179.8 | 99.6 | 0 | 0 | 117.6 | ||||
| 633 | K | 33.3 | Very low | 30.7 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 67% | 0.665 | 71% | 0.705 | S | S | * | * | cis | -169.3 | 161.5 | -6.3 | -147.9 | -177.5 | -169.6 | 165.5 | 0 | 112.9 | ||||
| 634 | L | 31.3 | Very low | 30.8 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 69% | 0.686 | 71% | 0.709 | S | S | * | * | trans | 66.2 | 150.4 | 159.5 | -53.1 | -173.8 | 0 | 0 | 0 | 118.6 | ||||
| 635 | Q | 32 | Very low | 31.1 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | cis | -154.7 | 143.2 | -19.7 | -131 | 169.9 | -52.6 | 0 | 0 | 113.5 | ||||
| 636 | M | 30.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | trans | 51.1 | 115.4 | 143.2 | -82.9 | 167.1 | 157.2 | 0 | 0 | 124.9 | ||||
| 637 | N | 28.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | 72.7 | 115.2 | 120.3 | -70.8 | 42.1 | 0 | 0 | 0 | 124.3 | |||||
| 638 | E | 29.7 | Very low | 31.7 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | 92.2 | 119.8 | 118.9 | -75.3 | -175.6 | 107.8 | 0 | 0 | 123.7 | |||||
| 639 | N | 30.2 | Very low | 31.3 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | 82.6 | 108.4 | 132 | -59.4 | -18.2 | 0 | 0 | 0 | 122.5 | ||||
| 640 | V | 30 | Very low | 31.1 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | 82.7 | 120.6 | 124.1 | 177.2 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 641 | E | 29.8 | Very low | 31 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | 73.1 | 124.6 | 150.5 | -73.1 | 173.8 | 168.2 | 0 | 0 | 125.3 | ||||
| 642 | H | 31.8 | Very low | 31 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 79.8 | 120.7 | 134.7 | -78.9 | 58.6 | 0 | 0 | 0 | 123.8 | ||||
| 643 | N | 31.6 | Very low | 30.8 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | trans | 73.8 | 117.7 | 138.8 | -69.1 | 20.7 | 0 | 0 | 0 | 124.4 | ||||
| 644 | E | 32.7 | Very low | 30.6 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | 71.8 | 118.4 | 132.3 | -63.4 | -175.8 | 126.6 | 0 | 0 | 122.6 | ||||
| 645 | T | 33 | Very low | 30.5 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | trans | 67.1 | 141.6 | 151.9 | 55.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 646 | D | 33.2 | Very low | 30.2 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -157.2 | 152.8 | 6.8 | -128.8 | -11 | 0 | 0 | 0 | 113.9 | ||||
| 647 | I | 32 | Very low | 30 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | trans | 71.9 | 156.9 | 148.3 | -67.8 | 162.8 | 0 | 0 | 0 | 121.1 | ||||
| 648 | V | 32.9 | Very low | 30 | Very low | 123 Ų | 123 | 138 Ų | 138 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | trans | 69.2 | 94.3 | 173.9 | -77.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 649 | D | 28.6 | Very low | 29.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | 53.1 | 85.5 | 123.2 | -63.5 | -28.9 | 0 | 0 | 0 | 122.1 | |||||
| 650 | A | 26.9 | Very low | 29.7 | Very low | 75 Ų | 75 | 142 Ų | 142 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | trans | -152 | 103.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I652 | A650-I652 HydrophobicContact CB-CD1 3.74Å; A650-I652 HydrophobicContact CB-CG1 4.16Å; A650-I652 PolarHBondContact O-N 3.07Å | ||
| 651 | A | 28.9 | Very low | 29.5 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 99% | 0.992 | 77% | 0.769 | S | S | * | * | trans | -76.7 | 84.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 652 | I | 31.5 | Very low | 29.3 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -107.3 | 168 | -167.9 | -74.7 | 174.2 | 0 | 0 | 0 | 113 | A650 | A650-I652 HydrophobicContact CB-CD1 3.74Å; A650-I652 HydrophobicContact CB-CG1 4.16Å; A650-I652 PolarHBondContact O-N 3.07Å | ||
| 653 | N | 29.2 | Very low | 29.5 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -40.9 | 156.6 | 174.1 | -70.6 | -56.7 | 0 | 0 | 0 | 117.9 | ||||
| 654 | S | 28.6 | Very low | 29.7 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 82.5 | 149.1 | 143.2 | 78.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 655 | N | 28.2 | Very low | 30 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | 49.6 | 120.7 | 156.7 | -57.9 | -25.8 | 0 | 0 | 0 | 119.3 | ||||
| 656 | Y | 25.6 | Very low | 30.3 | Very low | 218 Ų | 218 | 141 Ų | 141 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | -157.1 | 122.1 | 116.5 | -110.3 | -70.3 | 0 | 0 | 0 | 111.4 | |||||
| 657 | I | 27.5 | Very low | 30.4 | Very low | 165 Ų | 165 | 138 Ų | 138 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -92.6 | 115.1 | 152.3 | -65.3 | 171.7 | 0 | 0 | 0 | 105 | ||||
| 658 | N | 28.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | -159.4 | 162.7 | 148.6 | -116.6 | -29.2 | 0 | 0 | 0 | 113 | ||||
| 659 | N | 25.3 | Very low | 31.1 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | trans | -70.3 | 133.1 | -173.8 | -53.1 | -74.1 | 0 | 0 | 0 | 111.5 | ||||
| 660 | Q | 28.4 | Very low | 31.7 | Very low | 201 Ų | 201 | 126.8 Ų | 126.8 | 94% | 0.939 | 67% | 0.671 | S | S | * | * | trans | -136.8 | 158.8 | 148.9 | -125.8 | 176.4 | 12.3 | 0 | 0 | 110.5 | ||||
| 661 | E | 25.8 | Very low | 32.4 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -85.2 | 179.7 | -160.5 | -168 | 157.7 | -169.7 | 0 | 0 | 112.8 | D663 | E661-D663 PolarHBondContact O-N 2.73Š| ||
| 662 | F | 26 | Very low | 33 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 66% | 0.658 | 63% | 0.629 | S | S | * | * | trans | -32.4 | 124.9 | 176.5 | -77.1 | -98.2 | 0 | 0 | 0 | 114.9 | K664 | F662-K664 HydrophobicContact CD1-CG 4.28Š| ||
| 663 | D | 35.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | trans | -108.2 | 124.6 | 143.8 | -169.4 | 4.8 | 0 | 0 | 0 | 109.6 | E661 D665 | E661-D663 PolarHBondContact O-N 2.73Å; D663-D665 WeakPolarHBondContact OD1-CA 3.46Å; D663-D665 VanDerWaalsContact OD1-CB 3.31Å; D663-D665 WeakPolarHBondContact OD1-CB 3.41Å; D663-D665 PolarHBondContact OD1-N 3.14Å | ||
| 664 | K | 35.1 | Very low | 34.4 | Very low | 149 Ų | 149 | 117.5 Ų | 117.5 | 65% | 0.648 | 59% | 0.586 | S | S | * | * | trans | -98.1 | -12.3 | 174.3 | -68.8 | 168.5 | -174.8 | 158.9 | 0 | 111.2 | F662 | F662-K664 HydrophobicContact CD1-CG 4.28Š| ||
| 665 | D | 39.8 | Very low | 34.9 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -92.9 | -16.5 | -159 | -65.2 | -12.1 | 0 | 0 | 0 | 113.4 | D663 T667 A668 T669 | D663-D665 WeakPolarHBondContact OD1-CA 3.46Å; D663-D665 VanDerWaalsContact OD1-CB 3.31Å; D663-D665 WeakPolarHBondContact OD1-CB 3.41Å; D663-D665 PolarHBondContact OD1-N 3.14Å; D665-T667 VanDerWaalsContact C-N 3.25Å; D665-T667 PolarHBondContact O-N 3.13Å; D665-A668 PolarHBondContact O-N 3.33Å; D665-T669 WeakPolarHBondContact O-CA 3.31Å; D665-T669 WeakPolarHBondContact O-CB 3.31Å; D665-T669 PolarHBondContact O-N 2.91Å; D665-T669 PolarHBondContact O-OG1 2.77Å |
| 666 | E | 38 | Very low | 35.5 | Very low | 143 Ų | 143 | 116.3 Ų | 116.3 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -56 | -41.5 | 167.3 | -102 | -145.3 | 136.2 | 0 | 0 | 111.7 | Y670 | E666-Y670 PolarHBondContact O-N 3.22Å |
| 667 | T | 36.2 | Very low | 36.4 | Very low | 67 Ų | 67 | 109.3 Ų | 109.3 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -79.3 | -36.5 | -179 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | D665 T669 Y670 W671 | D665-T667 VanDerWaalsContact C-N 3.25Å; D665-T667 PolarHBondContact O-N 3.13Å; T667-T669 VanDerWaalsContact C-N 3.33Å; T667-Y670 PolarHBondContact O-N 3.21Å; T667-W671 VanDerWaalsContact O-CD1 3.28Å; T667-W671 PolarHBondContact O-N 2.97Å |
| 668 | A | 35.6 | Very low | 36.8 | Very low | 40 Ų | 40 | 105 Ų | 105 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D665 W671 N672 | D665-A668 PolarHBondContact O-N 3.33Å; A668-W671 PolarHBondContact O-N 3.23Å; A668-N672 VanDerWaalsContact O-CB 3.25Å; A668-N672 WeakPolarHBondContact O-CB 3.43Å; A668-N672 PolarHBondContact O-N 2.83Å; A668-N672 PolarHBondContact O-ND2 3.19Å |
| 669 | T | 43.6 | Very low | 37.1 | Very low | 77 Ų | 77 | 104 Ų | 104 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | D665 T667 W671 N672 T673 | D665-T669 WeakPolarHBondContact O-CA 3.31Å; D665-T669 WeakPolarHBondContact O-CB 3.31Å; D665-T669 PolarHBondContact O-N 2.91Å; D665-T669 PolarHBondContact O-OG1 2.77Å; T667-T669 VanDerWaalsContact C-N 3.33Å; T669-W671 VanDerWaalsContact C-N 3.32Å; T669-W671 PolarHBondContact O-N 2.72Å; T669-N672 PolarHBondContact O-N 3.09Å; T669-T673 VanDerWaalsContact O-CB 3.27Å; T669-T673 WeakPolarHBondContact O-CB 3.31Å; T669-T673 PolarHBondContact O-N 2.72Å; T669-T673 PolarHBondContact O-OG1 3.02Å |
| 670 | Y | 41.2 | Very low | 37.7 | Very low | 68 Ų | 68 | 102.7 Ų | 102.7 | 27% | 0.267 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -54.5 | -46.3 | 173 | 174.7 | -96.6 | 0 | 0 | 0 | 112.6 | T88 E666 T667 R674 | T88-Y670 HydrophobicContact CG2-CD2 4.39Å; T88-Y670 HydrophobicContact CG2-CE2 4.04Å; E666-Y670 PolarHBondContact O-N 3.22Å; T667-Y670 PolarHBondContact O-N 3.21Å; Y670-R674 PolarHBondContact O-N 2.69Å; Y670-R674 PolarHBondContact OH-NE 2.8Å |
| 671 | W | 40.9 | Very low | 38 | Very low | 91 Ų | 91 | 97.8 Ų | 97.8 | 35% | 0.345 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.3 | -32.5 | 179.4 | -73.7 | 110.5 | 0 | 0 | 0 | 113.6 | A326 T667 A668 T669 R674 R675 | A326-W671 HydrophobicContact CB-CH2 3.64Å; A326-W671 HydrophobicContact CB-CZ2 3.32Å; T667-W671 VanDerWaalsContact O-CD1 3.28Å; T667-W671 PolarHBondContact O-N 2.97Å; A668-W671 PolarHBondContact O-N 3.23Å; T669-W671 VanDerWaalsContact C-N 3.32Å; T669-W671 PolarHBondContact O-N 2.72Å; W671-R674 HydrophobicContact CE3-CB 4.44Å; W671-R674 PolarHBondContact O-N 3.14Å; W671-R675 WeakPolarHBondContact O-CB 3.33Å; W671-R675 PolarHBondContact O-N 2.88Å |
| 672 | N | 41.4 | Very low | 38.3 | Very low | 73 Ų | 73 | 96.6 Ų | 96.6 | 39% | 0.39 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 173.2 | -74.6 | -24.6 | 0 | 0 | 0 | 111.5 | A668 T669 R675 L676 | A668-N672 VanDerWaalsContact O-CB 3.25Å; A668-N672 WeakPolarHBondContact O-CB 3.43Å; A668-N672 PolarHBondContact O-N 2.83Å; A668-N672 PolarHBondContact O-ND2 3.19Å; T669-N672 PolarHBondContact O-N 3.09Å; N672-R675 PolarHBondContact O-N 3.15Å; N672-R675 PolarHBondContact OD1-NH1 3.31Å; N672-L676 WeakPolarHBondContact O-CB 3.32Å; N672-L676 VanDerWaalsContact O-CG 3.32Å; N672-L676 WeakPolarHBondContact O-CG 3.19Å; N672-L676 PolarHBondContact O-N 3.17Å |
| 673 | T | 48.7 | Very low | 38.5 | Very low | 52 Ų | 52 | 92 Ų | 92 | 32% | 0.319 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 171.7 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | T669 L676 Q677 | T669-T673 VanDerWaalsContact O-CB 3.27Å; T669-T673 WeakPolarHBondContact O-CB 3.31Å; T669-T673 PolarHBondContact O-N 2.72Å; T669-T673 PolarHBondContact O-OG1 3.02Å; T673-L676 PolarHBondContact O-N 3.32Å; T673-Q677 HydrophobicContact CG2-CG 4.39Å; T673-Q677 WeakPolarHBondContact O-CB 3.11Å; T673-Q677 VanDerWaalsContact O-CG 3.27Å; T673-Q677 WeakPolarHBondContact O-CG 3.33Å; T673-Q677 PolarHBondContact O-N 2.82Å |
| 674 | R | 42.5 | Very low | 38.4 | Very low | 66 Ų | 66 | 94.2 Ų | 94.2 | 25% | 0.249 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 170.2 | -85.9 | -176.6 | 155.3 | -126.6 | -15.8 | 112.8 | T88 Y670 W671 Q677 R678 | T88-R674 HydrophobicContact CG2-CG 4.37Å; Y670-R674 PolarHBondContact O-N 2.69Å; Y670-R674 PolarHBondContact OH-NE 2.8Å; W671-R674 HydrophobicContact CE3-CB 4.44Å; W671-R674 PolarHBondContact O-N 3.14Å; R674-Q677 PolarHBondContact O-N 2.83Å; R674-R678 PolarHBondContact O-N 3.38Å |
| 675 | R | 38.7 | Very low | 38.3 | Very low | 112 Ų | 112 | 94 Ų | 94 | 42% | 0.423 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 177 | -176.3 | -179.3 | -77.1 | 155.7 | -6.8 | 111.5 | W671 N672 F679 | W671-R675 WeakPolarHBondContact O-CB 3.33Å; W671-R675 PolarHBondContact O-N 2.88Å; N672-R675 PolarHBondContact O-N 3.15Å; N672-R675 PolarHBondContact OD1-NH1 3.31Å; R675-F679 WeakPolarHBondContact O-CD2 3.5Å |
| 676 | L | 40.2 | Very low | 38.1 | Very low | 105 Ų | 105 | 94.9 Ų | 94.9 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.2 | -41 | 175 | -71.8 | 165.1 | 0 | 0 | 0 | 112.3 | N672 T673 R678 F679 Q680 | N672-L676 WeakPolarHBondContact O-CB 3.32Å; N672-L676 VanDerWaalsContact O-CG 3.32Å; N672-L676 WeakPolarHBondContact O-CG 3.19Å; N672-L676 PolarHBondContact O-N 3.17Å; T673-L676 PolarHBondContact O-N 3.32Å; L676-R678 PolarHBondContact O-N 2.89Å; L676-F679 WeakPolarHBondContact O-CB 3.36Å; L676-F679 PolarHBondContact O-N 3.49Å; L676-Q680 WeakPolarHBondContact O-CG 3.42Å; L676-Q680 PolarHBondContact O-N 3.35Å; L676-Q680 VanDerWaalsContact O-N 3.09Å |
| 677 | Q | 44.4 | Very low | 37.6 | Very low | 72 Ų | 72 | 92.8 Ų | 92.8 | 34% | 0.336 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 177.8 | -75.8 | 173.6 | -13.8 | 0 | 0 | 112.2 | T673 R674 F679 Q680 S681 | T673-Q677 HydrophobicContact CG2-CG 4.39Å; T673-Q677 WeakPolarHBondContact O-CB 3.11Å; T673-Q677 VanDerWaalsContact O-CG 3.27Å; T673-Q677 WeakPolarHBondContact O-CG 3.33Å; T673-Q677 PolarHBondContact O-N 2.82Å; R674-Q677 PolarHBondContact O-N 2.83Å; Q677-F679 PolarHBondContact O-N 3.47Å; Q677-F679 VanDerWaalsContact O-N 3.17Å; Q677-Q680 PolarHBondContact O-N 3.3Å; Q677-Q680 VanDerWaalsContact O-N 3.12Å; Q677-S681 PolarHBondContact O-N 2.74Å; Q677-S681 PolarHBondContact O-OG 3.46Å |
| 678 | R | 36.5 | Very low | 37.5 | Very low | 74 Ų | 74 | 96.4 Ų | 96.4 | 28% | 0.279 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -23 | 170.7 | -82.5 | -178.9 | 161 | -155.7 | -12.3 | 113.6 | D65 E332 T352 R674 L676 | D65-R678 IonicContact OD1-NH2 3.43Å; D65-R678 PolarHBondContact OD1-NH2 3.29Å; D65-R678 IonicContact OD2-NH2 2.7Å; D65-R678 PolarHBondContact OD2-NH2 3.28Å; E332-R678 IonicContact OE1-CZ 2.68Å; E332-R678 IonicContact OE1-NH1 3Å; E332-R678 PolarHBondContact OE1-NH1 3.45Å; T352-R678 WeakPolarHBondContact OG1-CD 3.38Å; R674-R678 PolarHBondContact O-N 3.38Å; L676-R678 PolarHBondContact O-N 2.89Å |
| 679 | F | 34.4 | Very low | 37.2 | Very low | 109 Ų | 109 | 99.8 Ų | 99.8 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -93.3 | -25.3 | 175.4 | -78.3 | -123.6 | 0 | 0 | 0 | 113 | A349 R675 L676 Q677 | A349-F679 HydrophobicContact CB-CD1 3.62Å; A349-F679 HydrophobicContact CB-CE1 3.32Å; A349-F679 HydrophobicContact CB-CG 4.48Å; A349-F679 HydrophobicContact CB-CZ 3.99Å; R675-F679 WeakPolarHBondContact O-CD2 3.5Å; L676-F679 WeakPolarHBondContact O-CB 3.36Å; L676-F679 PolarHBondContact O-N 3.49Å; Q677-F679 PolarHBondContact O-N 3.47Å; Q677-F679 VanDerWaalsContact O-N 3.17Å |
| 680 | Q | 38.5 | Very low | 36.7 | Very low | 123 Ų | 123 | 102.8 Ų | 102.8 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -91.2 | -19.3 | -174.2 | -72.4 | 177.9 | -15 | 0 | 0 | 114.5 | L676 Q677 N682 N683 | L676-Q680 WeakPolarHBondContact O-CG 3.42Å; L676-Q680 PolarHBondContact O-N 3.35Å; L676-Q680 VanDerWaalsContact O-N 3.09Å; Q677-Q680 PolarHBondContact O-N 3.3Å; Q677-Q680 VanDerWaalsContact O-N 3.12Å; Q680-N682 PolarHBondContact O-N 3.45Å; Q680-N683 PolarHBondContact O-N 3.5Å |
| 681 | S | 35.1 | Very low | 36.1 | Very low | 97 Ų | 97 | 106.2 Ų | 106.2 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -3.2 | -178 | -62.5 | 0 | 0 | 0 | 0 | 116 | Q677 | Q677-S681 PolarHBondContact O-N 2.74Å; Q677-S681 PolarHBondContact O-OG 3.46Å |
| 682 | N | 32.5 | Very low | 35.7 | Very low | 144 Ų | 144 | 109 Ų | 109 | 77% | 0.77 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 5.5 | 176.5 | -106.4 | 17.4 | 0 | 0 | 0 | 114.5 | Q680 | Q680-N682 PolarHBondContact O-N 3.45Š|
| 683 | N | 30.2 | Very low | 35.2 | Very low | 54 Ų | 54 | 109.8 Ų | 109.8 | 29% | 0.289 | 60% | 0.6 | S | S | . | * | trans | -135.3 | 96.2 | 178.5 | -93.8 | -29.9 | 0 | 0 | 0 | 112.3 | Q347 Q348 Q680 | Q347-N683 WeakPolarHBondContact CG-ND2 3.34Å; Q347-N683 PolarHBondContact OE1-ND2 3.45Å; Q348-N683 PolarHBondContact OE1-ND2 3.09Å; Q680-N683 PolarHBondContact O-N 3.5Å | ||
| 684 | N | 32.7 | Very low | 34.5 | Very low | 162 Ų | 162 | 113.9 Ų | 113.9 | 87% | 0.866 | 63% | 0.625 | S | S | * | * | trans | -131.3 | 78.2 | 165.2 | -92.2 | -48 | 0 | 0 | 0 | 110.4 | ||||
| 685 | N | 32.2 | Very low | 34 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -141.6 | 134.6 | 152.9 | -112.2 | -26 | 0 | 0 | 0 | 107.7 | ||
| 686 | P | 36.3 | Very low | 33.7 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 77% | 0.766 | 67% | 0.666 | S | S | * | * | trans | -75.5 | 129.4 | -167.8 | 28.6 | -34.3 | 0 | 0 | 0 | 112.3 | ||||
| 687 | L | 27.7 | Very low | 33.2 | Very low | 99 Ų | 99 | 119.1 Ų | 119.1 | 52% | 0.518 | 68% | 0.676 | S | S | . | * | trans | -71 | 134.2 | 169.5 | -79.6 | 89 | 0 | 0 | 0 | 111 | ||||
| 688 | V | 33.3 | Very low | 32.5 | Very low | 143 Ų | 143 | 124 Ų | 124 | 87% | 0.867 | 70% | 0.702 | S | S | * | * | trans | -108.9 | 121.2 | 151.5 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 689 | N | 29.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | trans | -78.1 | 134.4 | -174.3 | -73.5 | -47.3 | 0 | 0 | 0 | 112.8 | ||||
| 690 | T | 32.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -138.6 | 97.8 | 141.4 | 50.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 691 | N | 30 | Very low | 31.4 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -89.1 | 128.3 | 174.1 | -77.1 | -41.2 | 0 | 0 | 0 | 111 | ||||
| 692 | T | 32.8 | Very low | 31.1 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 91% | 0.908 | 75% | 0.749 | S | S | * | * | trans | -142.7 | 123 | 153.8 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 693 | A | 31.3 | Very low | 31 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -133.8 | 139.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 694 | T | 33.5 | Very low | 31 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -177.4 | 116 | 155 | 28.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 695 | T | 31.5 | Very low | 31 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | cis | 80.5 | 132.1 | 44.5 | -35.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 696 | I | 31.8 | Very low | 31.3 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | trans | 78.3 | 137.7 | 167.2 | -43.8 | -174.6 | 0 | 0 | 0 | 115.8 | ||||
| 697 | P | 30.6 | Very low | 31.2 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | cis | -132.1 | -159.6 | -28.9 | 40 | -21.1 | 0 | 0 | 0 | 113.2 | ||||
| 698 | M | 28.6 | Very low | 31.4 | Very low | 176 Ų | 176 | 128 Ų | 128 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -65.7 | 151.2 | 161.5 | -58.3 | 167.3 | 173.2 | 0 | 0 | 112.7 | ||||
| 699 | T | 30.4 | Very low | 31.3 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | 179.7 | 161.1 | 126.5 | -71.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 700 | V | 28.8 | Very low | 31.5 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -87.6 | -179.2 | -175.6 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 701 | T | 27.4 | Very low | 31.5 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | 83.3 | 90.1 | 161.3 | 21.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 702 | T | 29.1 | Very low | 31.7 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | 71.2 | 135 | 119 | 51.5 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 703 | T | 29.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 90.9 | 112.9 | 136.2 | 40.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 704 | T | 32 | Very low | 31.8 | Very low | 133 Ų | 133 | 122.8 Ų | 122.8 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | 61.6 | 125.3 | 138.6 | 56 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 705 | S | 30.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | -152 | 153.1 | 62.2 | 43.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 706 | T | 38.6 | Very low | 31.9 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -95.8 | -176.1 | 162.4 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 707 | P | 34.3 | Very low | 32 | Very low | 107 Ų | 107 | 122 Ų | 122 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | -137.1 | 141.7 | 113.3 | 14.3 | 6.8 | 0 | 0 | 0 | 115.1 | |||||
| 708 | I | 32.9 | Very low | 32 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | 64.5 | 130.5 | 129.7 | -58.9 | 169.8 | 0 | 0 | 0 | 116.9 | M546 | M546-I708 HydrophobicContact CE-CD1 3.86Å; M546-I708 HydrophobicContact CE-CG1 4.46Å | |||
| 709 | T | 31.6 | Very low | 32.1 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | cis | -142.6 | 130.6 | 13.3 | 5 | 0 | 0 | 0 | 0 | 108 | ||||
| 710 | T | 33.7 | Very low | 32.1 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | 51.3 | 143.1 | 101.9 | 72.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 711 | L | 31.3 | Very low | 32.2 | Very low | 149 Ų | 149 | 120.9 Ų | 120.9 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | cis | -130.2 | 143.1 | 18.3 | -61.9 | 151.8 | 0 | 0 | 0 | 108.4 | ||||
| 712 | S | 34.2 | Very low | 32.1 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | 59.2 | 143.1 | 50.3 | 75.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 713 | S | 32.3 | Very low | 32.2 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | cis | -140.9 | 157 | 12.4 | 53.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 714 | S | 34.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | 47.4 | 150.2 | 60.6 | 65.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 715 | S | 32.3 | Very low | 32 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | cis | -143.5 | 148.5 | 25.5 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 716 | N | 34.4 | Very low | 32 | Very low | 137 Ų | 137 | 121.8 Ų | 121.8 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | 32.8 | 127.5 | 94.7 | -55.2 | -22.9 | 0 | 0 | 0 | 115.8 | |||||
| 717 | H | 33.8 | Very low | 31.7 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 79% | 0.792 | 71% | 0.705 | S | S | * | * | 172.6 | 154.5 | 120.7 | -87.3 | -45 | 0 | 0 | 0 | 109.1 | |||||
| 718 | S | 31.6 | Very low | 31.5 | Very low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | cis | 177.4 | -164 | -23.4 | -100.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 719 | K | 30.1 | Very low | 31.6 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | trans | 84 | 143.1 | 155.2 | -65.9 | -171.8 | 179.1 | -178.1 | 0 | 117.6 | ||||
| 720 | T | 29.7 | Very low | 31.7 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | cis | -166.3 | -171.4 | -26.5 | 16.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 721 | H | 31.1 | Very low | 31.9 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | 89.6 | 120.9 | 167.9 | -51.4 | -72.1 | 0 | 0 | 0 | 114 | V723 | H721-V723 HydrophobicContact CB-CG2 4.45Š| ||
| 722 | S | 25.8 | Very low | 32.3 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | cis | 64.6 | 80.4 | 4.9 | 90.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 723 | V | 30.7 | Very low | 32.3 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -140.2 | 146.8 | 158.9 | 175.1 | 0 | 0 | 0 | 0 | 107.9 | H721 | H721-V723 HydrophobicContact CB-CG2 4.45Š| ||
| 724 | S | 28.4 | Very low | 32.2 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | trans | -111.4 | 175.1 | 173.2 | 61.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 725 | N | 30.6 | Very low | 32 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | 97.2 | 147.4 | 175.1 | -52.2 | -6.1 | 0 | 0 | 0 | 113.4 | ||||
| 726 | I | 30.9 | Very low | 31.9 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | cis | 167.7 | 150 | -23.4 | -103.2 | 159.4 | 0 | 0 | 0 | 104.9 | ||||
| 727 | N | 30.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 142 Ų | 142 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | 84 | 108.5 | 166.3 | -73 | -24.6 | 0 | 0 | 0 | 122.5 | ||||
| 728 | K | 30.4 | Very low | 31.2 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | 92.2 | 148.7 | 122.6 | -72.9 | -168.7 | 171.1 | -162.8 | 0 | 122.4 | |||||
| 729 | Y | 34.5 | Very low | 31 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | 71 | 121.2 | 175.8 | -68 | -79.1 | 0 | 0 | 0 | 116.7 | ||||
| 730 | D | 34.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | cis | -154.6 | 127.7 | -37.1 | -89.9 | -16 | 0 | 0 | 0 | 102.7 | ||||
| 731 | D | 37.2 | Very low | 30.6 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | 53 | 148.1 | 82.3 | -93.9 | -11.9 | 0 | 0 | 0 | 115.5 | |||||
| 732 | P | 41 | Very low | 30.4 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | cis | -104.9 | -150.2 | 1.8 | 35.7 | -18.6 | 0 | 0 | 0 | 111.1 | ||||
| 733 | D | 34.4 | Very low | 30.4 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | cis | -159.7 | 178.3 | 20.6 | -140.9 | -22.4 | 0 | 0 | 0 | 115.3 | ||||
| 734 | E | 30.5 | Very low | 30.1 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 71% | 0.71 | 73% | 0.733 | S | S | * | * | trans | -74 | 153.8 | -167.8 | -71.6 | -157.1 | 100.8 | 0 | 0 | 119 | ||||
| 735 | N | 28.7 | Very low | 29.9 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 52.3 | 141.7 | 100.1 | -47.6 | -47.1 | 0 | 0 | 0 | 115.5 | |||||
| 736 | D | 31.3 | Very low | 29.6 | Very low | 154 Ų | 154 | 153.4 Ų | 153.4 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | cis | -154.4 | 178.4 | 42.3 | -153 | -6.3 | 0 | 0 | 0 | 115.4 | ||||
| 737 | Y | 25.6 | Very low | 29.5 | Very low | 212 Ų | 212 | 152.6 Ų | 152.6 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -81.5 | -172.1 | 179.8 | -115.3 | -112.1 | 0 | 0 | 0 | 113.6 | ||||
| 738 | V | 28.6 | Very low | 29.2 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 76 | 105 | 167 | -164.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 739 | N | 25.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | 80.8 | 152.4 | 58.6 | -164 | 13 | 0 | 0 | 0 | 114.1 | |||||
| 740 | Y | 27.9 | Very low | 29.4 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | 71.5 | 125.1 | -168.9 | -69.3 | -101.8 | 0 | 0 | 0 | 115.2 | ||||
| 741 | N | 25.1 | Very low | 29.7 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | cis | 91.1 | 132.8 | 46.1 | -93.6 | -57.1 | 0 | 0 | 0 | 115.2 | ||||
| 742 | R | 25.3 | Very low | 29.4 | Very low | 224 Ų | 224 | 147.7 Ų | 147.7 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | 76.1 | 114 | 150.9 | -77.1 | -176.4 | 174.5 | -177 | -0.4 | 121.4 | ||||
| 743 | T | 25.7 | Very low | 29.1 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 86.2 | 95.8 | 118.4 | -55.6 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 744 | V | 24.8 | Very low | 29 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | 50.1 | 137.4 | 112.9 | 170.7 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 745 | K | 25 | Very low | 29.2 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | 80.7 | 147.8 | 175.3 | -72.1 | 156.3 | -177.1 | 174.8 | 0 | 113.7 | ||||
| 746 | R | 24.5 | Very low | 29.2 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | cis | -178.6 | 167.8 | -19.1 | -118.8 | -174.3 | 179.1 | 175.9 | -2.5 | 105.3 | ||||
| 747 | I | 27.6 | Very low | 29 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | trans | 72.1 | 144.1 | 147.5 | -83.8 | 170 | 0 | 0 | 0 | 114.2 | ||||
| 748 | R | 25.7 | Very low | 29.1 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | cis | -161 | 163.6 | 5.7 | -127.6 | 168.5 | -153.6 | 165.1 | 0 | 110.9 | ||||
| 749 | H | 34.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | trans | 66.6 | 132 | 157.9 | -63 | -51.1 | 0 | 0 | 0 | 118.8 | ||||
| 750 | A | 34.4 | Very low | 29.2 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | cis | 91.5 | 153.1 | 38.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 751 | P | 41.2 | Very low | 29.5 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 72% | 0.715 | S | S | * | * | cis | -139.4 | 176.7 | 24.8 | 44.5 | -26.7 | 0 | 0 | 0 | 118.3 | ||||
| 752 | N | 30.2 | Very low | 29.8 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | 54.9 | 151.6 | 142.2 | -73.1 | 35.9 | 0 | 0 | 0 | 121.5 | ||||
| 753 | D | 33.9 | Very low | 30.2 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | cis | -144.1 | 145.3 | -8.8 | -95.3 | -36.3 | 0 | 0 | 0 | 107.4 | ||||
| 754 | Q | 32.4 | Very low | 30.5 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | 60.8 | 149.9 | 70.5 | -80.7 | -146.3 | 57.4 | 0 | 0 | 115.5 | |||||
| 755 | P | 36.1 | Very low | 30.8 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 55% | 0.552 | 70% | 0.701 | S | S | * | * | cis | -147.3 | -168.9 | -31.8 | 41.6 | -23.6 | 0 | 0 | 0 | 114.4 | ||||
| 756 | L | 27.6 | Very low | 31.2 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | trans | 67 | 166.4 | 160.5 | -61 | 172 | 0 | 0 | 0 | 115.7 | ||||
| 757 | T | 27.8 | Very low | 31.5 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | cis | -142.2 | 175.5 | 8.8 | -28.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 758 | A | 27.8 | Very low | 32.1 | Very low | 78 Ų | 78 | 128 Ų | 128 | 65% | 0.645 | 70% | 0.696 | S | S | * | * | trans | -45.3 | 167.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 759 | T | 28.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | cis | -147.1 | 157.6 | 45 | 52.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 760 | N | 28.4 | Very low | 31.8 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 68% | 0.684 | 69% | 0.693 | S | S | * | * | trans | -5.5 | 145.1 | 130.5 | -40.2 | -11.6 | 0 | 0 | 0 | 115.2 | ||||
| 761 | D | 33.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | -148.8 | 150.7 | 57.3 | -83 | -49.4 | 0 | 0 | 0 | 112.1 | |||||
| 762 | S | 32 | Very low | 30.7 | Very low | 85 Ų | 85 | 130.3 Ų | 130.3 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | cis | 100.6 | 102.3 | 30.4 | 93.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 763 | Y | 33.8 | Very low | 30.4 | Very low | 207 Ų | 207 | 129 Ų | 129 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | trans | 177.8 | 122.4 | 136.7 | -111 | -121 | 0 | 0 | 0 | 107.9 | ||||
| 764 | V | 31.9 | Very low | 30 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 57% | 0.57 | 70% | 0.7 | S | S | * | * | 81.6 | 126.1 | 63.7 | 161.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 765 | D | 30.5 | Very low | 29.7 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 71% | 0.705 | S | S | * | * | cis | -159.8 | 177.9 | 2.8 | -122.1 | -6.1 | 0 | 0 | 0 | 114.9 | ||||
| 766 | E | 34 | Very low | 29.2 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 44.8 | 116 | 149.7 | -58.9 | -88.7 | 104.9 | 0 | 0 | 117.9 | ||||
| 767 | D | 30.6 | Very low | 29.1 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | cis | 79.5 | 170.9 | 36.4 | -131.6 | 37.1 | 0 | 0 | 0 | 113.5 | ||||
| 768 | P | 40.1 | Very low | 29 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | -136.3 | -146.7 | -105.6 | 44.9 | -26.2 | 0 | 0 | 0 | 115.5 | |||||
| 769 | Q | 28.5 | Very low | 29 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | 89.7 | 117.9 | 170.1 | -46.4 | -159.8 | 32.9 | 0 | 0 | 115.9 | ||||
| 770 | C | 25.1 | Very low | 29 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 64% | 0.635 | 71% | 0.709 | S | S | * | * | 78.9 | 120.7 | 82.2 | -145.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 771 | F | 26.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 67% | 0.667 | 71% | 0.705 | S | S | * | * | -165.4 | 177.5 | 62.7 | -97.4 | -77.4 | 0 | 0 | 0 | 112.4 | |||||
| 772 | K | 26 | Very low | 29 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | 20.7 | 142.9 | 141.9 | -61.7 | 153.3 | -174.2 | 159.3 | 0 | 118.2 | ||||
| 773 | S | 24.9 | Very low | 28.8 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | cis | 162 | 170 | 5.7 | -177.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 774 | S | 25.6 | Very low | 28.8 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | trans | 69.6 | 118.7 | 154.7 | -58.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 775 | R | 25.2 | Very low | 28.8 | Very low | 235 Ų | 235 | 134.8 Ų | 134.8 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | 75.7 | 132.3 | 128.2 | -76.6 | -175.5 | 174.1 | 170.4 | -1.3 | 122.5 | |||||
| 776 | V | 25.5 | Very low | 28.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.715 | 72% | 0.716 | S | S | * | * | trans | 78.1 | 93.9 | 132.5 | 175.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 777 | S | 25.7 | Very low | 28.8 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | 70.7 | 151 | 116.7 | -52.4 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 778 | L | 26.3 | Very low | 29 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | 74.1 | 119.2 | 150.6 | -73 | 157.2 | 0 | 0 | 0 | 119.4 | ||||
| 779 | N | 27.9 | Very low | 28.7 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | trans | 73 | 159.5 | 141.9 | -59.2 | -9.8 | 0 | 0 | 0 | 116.3 | ||||
| 780 | N | 28.5 | Very low | 28.9 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | cis | -151.8 | 174 | 8.8 | -145.9 | -13.8 | 0 | 0 | 0 | 112.5 | ||||
| 781 | A | 29.6 | Very low | 29.4 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 60% | 0.603 | 73% | 0.725 | S | S | * | * | trans | 72.3 | 149.9 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 782 | L | 31.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | cis | -162.5 | 141.7 | -16.9 | -109.5 | 172.8 | 0 | 0 | 0 | 111.6 | ||||
| 783 | N | 28.3 | Very low | 30.2 | Very low | 127 Ų | 127 | 134 Ų | 134 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | 76.4 | 147.2 | 139.2 | -92.2 | -11.7 | 0 | 0 | 0 | 125.7 | ||||
| 784 | R | 32.2 | Very low | 30.7 | Very low | 226 Ų | 226 | 134.3 Ų | 134.3 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | 80.5 | 140.6 | 152.7 | -72.8 | 165.5 | -176.3 | -166.6 | 1 | 119.9 | ||||
| 785 | S | 32.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | cis | -175.5 | 152 | -21 | 47.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 786 | N | 32.6 | Very low | 32.2 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | trans | 77.1 | 106.1 | 144.3 | -65.9 | -3.5 | 0 | 0 | 0 | 123.6 | ||||
| 787 | N | 31.6 | Very low | 32.7 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | 81 | 144 | 112.7 | -62.8 | -11.5 | 0 | 0 | 0 | 124.9 | |||||
| 788 | S | 34.6 | Very low | 33 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | 84.1 | 139.8 | 148.1 | -105.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 789 | S | 33.8 | Very low | 33.5 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | cis | -170.9 | 171.8 | -26.9 | 46 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 790 | R | 33.4 | Very low | 33.9 | Very low | 214 Ų | 214 | 136.3 Ų | 136.3 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | trans | 91 | 121.4 | 151.3 | -92 | -167.4 | 154.1 | 149.1 | -3.2 | 122.6 | ||||
| 791 | N | 34.5 | Very low | 34.2 | Very low | 115 Ų | 115 | 135 Ų | 135 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | trans | 81.7 | 141.4 | 132.5 | -73.4 | 4.9 | 0 | 0 | 0 | 121.6 | ||||
| 792 | Q | 34 | Very low | 34.3 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | cis | -171.8 | 162.8 | -27.5 | -138.6 | -177.3 | 94.6 | 0 | 0 | 111.8 | ||||
| 793 | L | 35.3 | Very low | 34.1 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | 71.8 | 139.6 | 160.5 | -51.6 | 150.5 | 0 | 0 | 0 | 116.6 | ||||
| 794 | N | 36.2 | Very low | 34.2 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | cis | -159.3 | 139.6 | -4.2 | -123 | 1.6 | 0 | 0 | 0 | 117.7 | ||||
| 795 | H | 37.5 | Very low | 34 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | trans | 66.9 | 151 | 146 | -66.2 | -41 | 0 | 0 | 0 | 126.5 | ||||
| 796 | P | 43.8 | Very low | 34.1 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | trans | -134.3 | -160 | -170.1 | 44 | -23.3 | 0 | 0 | 0 | 114.1 | ||||
| 797 | I | 36.2 | Very low | 33.8 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | trans | -168.9 | 156.9 | 131 | -100 | 156.8 | 0 | 0 | 0 | 114.1 | ||||
| 798 | K | 33.4 | Very low | 33.7 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | trans | -70 | 167.6 | -164 | -52.9 | 166 | 176.8 | 179.2 | 0 | 117.7 | ||||
| 799 | G | 35.5 | Very low | 33.4 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | trans | -169.2 | 104.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 800 | H | 36.1 | Very low | 33.1 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | trans | -79.7 | 154.8 | -161.3 | -100.5 | -90.4 | 0 | 0 | 0 | 119.3 | ||||
| 801 | D | 35 | Very low | 32.9 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 60% | 0.599 | 71% | 0.713 | S | S | * | * | 87.8 | 118.3 | 129.6 | -71.6 | -17.3 | 0 | 0 | 0 | 128.1 | |||||
| 802 | Q | 31.5 | Very low | 32.6 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | 68.1 | 98.1 | 117.7 | -62.3 | 178.6 | 55.6 | 0 | 0 | 125 | |||||
| 803 | S | 29.1 | Very low | 32.5 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | 91 | 157 | 105.4 | 84.8 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 804 | T | 30.4 | Very low | 32.2 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | 68.1 | 116 | 163.1 | 58.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 805 | N | 27.6 | Very low | 31.9 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 11.7 | 133.6 | 134.7 | -52.3 | -27.1 | 0 | 0 | 0 | 119.6 | ||||
| 806 | H | 33.3 | Very low | 31.7 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | -168.1 | 172.7 | 95.9 | -109.1 | -82.4 | 0 | 0 | 0 | 115 | |||||
| 807 | K | 27.8 | Very low | 31.2 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | -69.7 | 161.9 | -169.9 | -62.3 | 167.6 | 171.3 | 171.2 | 0 | 115.7 | ||||
| 808 | K | 28.5 | Very low | 30.9 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 68% | 0.683 | 73% | 0.726 | S | S | * | * | 97.8 | 141.2 | 128.8 | -102.8 | 168.7 | 150.6 | -118.6 | 0 | 121.5 | |||||
| 809 | E | 29.4 | Very low | 30.9 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | trans | 79.3 | 101.2 | 140.5 | -81.5 | 151.8 | 175.8 | 0 | 0 | 123.8 | ||||
| 810 | Y | 27.4 | Very low | 30.6 | Very low | 215 Ų | 215 | 139.6 Ų | 139.6 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | 68.4 | 127.5 | 114.6 | -95.3 | -87.1 | 0 | 0 | 0 | 123.9 | |||||
| 811 | S | 28.5 | Very low | 30.4 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | trans | 62.1 | 126.8 | 141.6 | 54.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 812 | D | 27.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | 64.9 | 148.4 | 144.8 | -49.8 | -24.2 | 0 | 0 | 0 | 117.7 | ||||
| 813 | V | 32.7 | Very low | 30.2 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | -154.1 | 160.1 | 72.7 | 154.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 814 | T | 29.3 | Very low | 30.1 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | -95.7 | 177.4 | -177.3 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 815 | N | 29.5 | Very low | 29.9 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 75.4 | 156.3 | 158.3 | -67 | -0.7 | 0 | 0 | 0 | 116.7 | ||||
| 816 | N | 33.6 | Very low | 30 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | cis | -157 | 159.6 | 1.4 | -127.6 | 2.9 | 0 | 0 | 0 | 112.7 | ||||
| 817 | N | 32.5 | Very low | 29.6 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 58.9 | 145.8 | 154.1 | -53.4 | -15.4 | 0 | 0 | 0 | 119.3 | ||||
| 818 | G | 30 | Very low | 29.5 | Very low | 65 Ų | 65 | 143.6 Ų | 143.6 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | cis | 160.1 | 159 | -7.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 819 | I | 33.6 | Very low | 29.4 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | 166.5 | 139.9 | 147.8 | -88.3 | 157.2 | 0 | 0 | 0 | 108.9 | ||||
| 820 | E | 28.9 | Very low | 29.4 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -97.3 | 161.7 | -177.8 | -56.4 | 164.7 | 123.5 | 0 | 0 | 112 | ||||
| 821 | V | 32.5 | Very low | 29.3 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | -161.1 | 146.7 | 127.2 | 154.1 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 822 | D | 30.7 | Very low | 29.4 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -105.5 | 173.2 | -167.1 | -167.5 | 10.2 | 0 | 0 | 0 | 114 | ||||
| 823 | N | 31.2 | Very low | 29.7 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 141.1 | 75.7 | 144.3 | -74.2 | -73.7 | 0 | 0 | 0 | 117.4 | ||||
| 824 | S | 27.4 | Very low | 29.8 | Very low | 86 Ų | 86 | 137.7 Ų | 137.7 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | 68.3 | 144.8 | 115.4 | 81.7 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 825 | Q | 26.5 | Very low | 30.4 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | 96 | 151.7 | 152 | -53.5 | -164.2 | 16 | 0 | 0 | 122.3 | ||||
| 826 | Y | 29.3 | Very low | 30.9 | Very low | 198 Ų | 198 | 131 Ų | 131 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | 75.6 | 62.8 | 169.8 | -69.8 | -76.9 | 0 | 0 | 0 | 122.7 | ||||
| 827 | T | 25.8 | Very low | 31.2 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | 32 | 140.2 | 122.4 | 63 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 828 | R | 24.9 | Very low | 31.4 | Very low | 224 Ų | 224 | 127.7 Ų | 127.7 | 85% | 0.845 | 66% | 0.661 | S | S | * | * | trans | 92.9 | 115.6 | 142.5 | -93 | -179.4 | 174.1 | 156.4 | -0.7 | 121.3 | ||||
| 829 | N | 25.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | trans | 65.9 | 101.3 | 139.7 | -63.3 | 2.1 | 0 | 0 | 0 | 120.8 | ||||
| 830 | K | 29.3 | Very low | 31.1 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | -169.1 | 124.7 | 127.7 | -106.3 | 170.5 | 176.4 | -168 | 0 | 110.7 | E845 | K830-E845 IonicContact NZ-OE1 2.75Å; K830-E845 PolarHBondContact NZ-OE1 2.75Å | |||
| 831 | C | 26 | Very low | 31.3 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 83% | 0.831 | 65% | 0.646 | S | S | * | * | trans | -99.6 | 112.2 | 168.4 | -71.8 | 0 | 0 | 0 | 0 | 109.8 | N833 | C831-N833 PolarHBondContact O-N 2.84Š| ||
| 832 | L | 29.8 | Very low | 31.3 | Very low | 109 Ų | 109 | 119 Ų | 119 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | trans | -73.3 | 105.2 | 172.1 | -75 | 161 | 0 | 0 | 0 | 109.6 | K834 E845 | L832-K834 PolarHBondContact O-N 3.43Å; L832-E845 HydrophobicContact CD2-CG 4.28Å | ||
| 833 | N | 35 | Very low | 31.1 | Very low | 106 Ų | 106 | 118.1 Ų | 118.1 | 57% | 0.567 | 64% | 0.639 | S | S | * | * | trans | -72.7 | 85.9 | 176.1 | -85.6 | -45.4 | 0 | 0 | 0 | 110.6 | H74 C831 | H74-N833 PolarHBondContact CE1-OD1 2.68Å; H74-N833 VanDerWaalsContact CE1-OD1 3.26Å; H74-N833 PolarHBondContact NE2-OD1 3.31Å; C831-N833 PolarHBondContact O-N 2.84Å | ||
| 834 | K | 34.9 | Very low | 31.2 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | trans | -61.5 | 145.2 | 163.4 | -61.5 | -166.1 | 173.5 | -161.5 | 0 | 109.3 | L832 P836 D843 | L832-K834 PolarHBondContact O-N 3.43Å; K834-P836 WeakPolarHBondContact O-CD 3.36Å; K834-D843 VanDerWaalsContact CE-OD1 3.28Å; K834-D843 WeakPolarHBondContact CE-OD1 3.13Å; K834-D843 IonicContact NZ-OD1 3.51Å; K834-D843 PolarHBondContact NZ-OD1 2.91Å; K834-D843 IonicContact NZ-OD2 2.82Å; K834-D843 PolarHBondContact NZ-OD2 3.03Å | ||
| 835 | D | 40.5 | Very low | 31.2 | Very low | 39 Ų | 39 | 118.6 Ų | 118.6 | 21% | 0.209 | 64% | 0.636 | C | S | . | * | trans | -60.3 | 124.5 | 170.6 | -176.1 | -37.6 | 0 | 0 | 0 | 107.8 | W104 F837 H838 | W104-D835 HydrophobicContact CZ2-CB 4.47Å; W104-D835 PolarHBondContact NE1-OD2 3.08Å; D835-F837 PolarHBondContact O-N 2.89Å; D835-F837 PolarHBondContact OD1-N 3.18Å; D835-H838 HydrophobicContact CB-CB 3.86Å; D835-H838 PolarHBondContact O-N 2.89Å | ||
| 836 | P | 40.1 | Very low | 31.2 | Very low | 63 Ų | 63 | 117 Ų | 117 | 41% | 0.409 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.1 | -6.7 | -176 | -24.5 | 34.6 | 0 | 0 | 0 | 115.5 | T72 K834 | T72-P836 HydrophobicContact CG2-CG 4.26Å; K834-P836 WeakPolarHBondContact O-CD 3.36Å |
| 837 | F | 39.4 | Very low | 31.3 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 44% | 0.443 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.9 | 15.3 | -177.9 | -60.9 | -83.3 | 0 | 0 | 0 | 114.5 | I82 D835 | I82-F837 HydrophobicContact CD1-CE2 3.97Å; D835-F837 PolarHBondContact O-N 2.89Å; D835-F837 PolarHBondContact OD1-N 3.18Å |
| 838 | H | 36.7 | Very low | 31.3 | Very low | 92 Ų | 92 | 114.7 Ų | 114.7 | 43% | 0.426 | 64% | 0.638 | S | S | . | * | trans | -118.9 | 107.9 | -176.8 | -160 | -35.1 | 0 | 0 | 0 | 114.3 | D835 | D835-H838 HydrophobicContact CB-CB 3.86Å; D835-H838 PolarHBondContact O-N 2.89Å | ||
| 839 | P | 28.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 111.5 Ų | 111.5 | 75% | 0.753 | 63% | 0.632 | S | S | * | * | trans | -82.4 | 136.5 | 160.5 | 32.5 | -30.3 | 0 | 0 | 0 | 110.3 | ||||
| 840 | G | 30.1 | Very low | 31.6 | Very low | 76 Ų | 76 | 113 Ų | 113 | 78% | 0.784 | 64% | 0.639 | S | S | * | * | trans | 108.7 | 14.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 841 | A | 32 | Very low | 31.5 | Very low | 70 Ų | 70 | 110.5 Ų | 110.5 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -88 | 131.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 842 | P | 32.7 | Very low | 31.6 | Very low | 132 Ų | 132 | 111.7 Ų | 111.7 | 86% | 0.857 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 141.2 | -179 | 30.4 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 843 | D | 26.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 115.5 Ų | 115.5 | 60% | 0.604 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 121.3 | 179.2 | -62.9 | -67.3 | 0 | 0 | 0 | 111.8 | K834 | K834-D843 VanDerWaalsContact CE-OD1 3.28Å; K834-D843 WeakPolarHBondContact CE-OD1 3.13Å; K834-D843 IonicContact NZ-OD1 3.51Å; K834-D843 PolarHBondContact NZ-OD1 2.91Å; K834-D843 IonicContact NZ-OD2 2.82Å; K834-D843 PolarHBondContact NZ-OD2 3.03Å |
| 844 | V | 33.1 | Very low | 31.5 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | trans | -148.3 | 125.1 | 152.8 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 845 | E | 27.5 | Very low | 31.3 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 42% | 0.416 | 67% | 0.669 | S | S | . | * | trans | -102.1 | 157.1 | 163.3 | -86.6 | -161.7 | 114.5 | 0 | 0 | 110.6 | K830 L832 | K830-E845 IonicContact NZ-OE1 2.75Å; K830-E845 PolarHBondContact NZ-OE1 2.75Å; L832-E845 HydrophobicContact CD2-CG 4.28Å | ||
| 846 | N | 27.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | trans | 68.8 | 136.3 | 169.9 | -45.8 | -51.3 | 0 | 0 | 0 | 114.3 | ||||
| 847 | S | 31.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | cis | -144.2 | 169.4 | 46.2 | -66.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 848 | L | 25.5 | Very low | 29.9 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | -111.3 | 166.7 | -178.2 | -69.8 | 162.8 | 0 | 0 | 0 | 112.1 | ||||
| 849 | H | 26.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | 64.5 | 115.3 | 162 | -59 | -69.3 | 0 | 0 | 0 | 118.7 | ||||
| 850 | L | 29.7 | Very low | 30.9 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | -156.5 | 168.6 | 95.8 | -98.8 | 156.2 | 0 | 0 | 0 | 109.6 | |||||
| 851 | T | 28.4 | Very low | 32.4 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | trans | -128.3 | 150.7 | -153.4 | 47.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 852 | D | 27.3 | Very low | 34.5 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | 38.4 | 123.4 | 143.5 | -51.8 | -18.1 | 0 | 0 | 0 | 121 | ||||
| 853 | E | 28.9 | Very low | 36.7 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | -163.4 | 174.3 | 122.2 | -114.7 | 176.8 | -164.7 | 0 | 0 | 112.6 | |||||
| 854 | I | 34.2 | Very low | 39.4 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 80% | 0.795 | 70% | 0.7 | S | S | * | * | trans | 78.4 | 71.7 | 175.5 | -41.7 | -177.5 | 0 | 0 | 0 | 117.5 | ||||
| 855 | N | 29.8 | Very low | 42 | Very low | 135 Ų | 135 | 125 Ų | 125 | 72% | 0.722 | 66% | 0.661 | S | S | * | * | 29.5 | 129.2 | 124 | -62.7 | -2.2 | 0 | 0 | 0 | 123.4 | |||||
| 856 | E | 28.4 | Very low | 44.8 | Very low | 174 Ų | 174 | 123.5 Ų | 123.5 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | 50.4 | 101.6 | 124.5 | -56 | -179.1 | 155.7 | 0 | 0 | 120.8 | |||||
| 857 | L | 34.5 | Very low | 47.8 | Very low | 160 Ų | 160 | 117.7 Ų | 117.7 | 84% | 0.838 | 63% | 0.629 | S | S | * | * | trans | -154.3 | 114.3 | 141.7 | -118 | 156.9 | 0 | 0 | 0 | 110.6 | ||||
| 858 | N | 28.9 | Very low | 50.4 | Low | 166 Ų | 166 | 121.1 Ų | 121.1 | 89% | 0.888 | 62% | 0.624 | S | S | * | * | trans | -73.7 | 125.9 | 174.4 | -74.8 | -21.1 | 0 | 0 | 0 | 109.5 | ||||
| 859 | S | 40.8 | Very low | 53.3 | Low | 75 Ų | 75 | 115.8 Ų | 115.8 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | trans | -155.8 | 116.6 | 172.4 | -73.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 860 | E | 44.4 | Very low | 56 | Low | 204 Ų | 204 | 110.1 Ų | 110.1 | 95% | 0.953 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 141.8 | 177.5 | -61 | -178.7 | 125.6 | 0 | 0 | 110.9 | ||
| 861 | G | 61.4 | Low | 58.3 | Low | 58 Ų | 58 | 107.3 Ų | 107.3 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.5 | 7.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | P950 | G861-P950 WeakPolarHBondContact O-CD 3.31Š|
| 862 | L | 78 | Confident | 60.7 | Low | 61 Ų | 61 | 109 Ų | 109 | 32% | 0.319 | 57% | 0.569 | S | S | . | * | trans | -88.6 | 145.6 | 170.1 | -59 | -173.4 | 0 | 0 | 0 | 111.9 | L914 L947 K949 | L862-L914 HydrophobicContact CD1-CD1 4.04Å; L862-L914 HydrophobicContact CD2-CD1 3.63Å; L862-L947 HydrophobicContact CB-CD1 4.3Å; L862-L947 HydrophobicContact CD1-CD2 3.96Å; L862-L947 HydrophobicContact CD1-CG 4.48Å; L862-K949 HydrophobicContact CD2-CB 3.74Å; L862-K949 HydrophobicContact CD2-CG 4.12Å | ||
| 863 | V | 77.3 | Confident | 63.3 | Low | 41 Ų | 41 | 103.3 Ų | 103.3 | 25% | 0.248 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.2 | -178 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | I865 P905 V948 P950 | V863-I865 HydrophobicContact CG1-CG1 4.01Å; V863-P905 HydrophobicContact CG1-CB 3.68Å; V863-P905 HydrophobicContact CG1-CG 3.72Å; V863-V948 HydrophobicContact CB-CG2 4Å; V863-V948 PolarHBondContact N-O 3.22Å; V863-V948 PolarHBondContact O-N 3.19Å; V863-P950 HydrophobicContact CB-CG 4.29Å; V863-P950 HydrophobicContact CG2-CG 3.53Å |
| 864 | R | 84.3 | Confident | 66 | Low | 144 Ų | 144 | 100.2 Ų | 100.2 | 54% | 0.543 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.2 | 168.9 | -172.6 | -178.6 | -72.4 | -149.5 | 8.9 | 109.3 | P905 E945 L946 L947 | R864-P905 WeakPolarHBondContact O-CD 3.49Å; R864-E945 WeakPolarHBondContact CD-OE2 3.36Å; R864-E945 IonicContact CZ-OE2 3.75Å; R864-E945 IonicContact NE-OE2 2.81Å; R864-E945 IonicContact NH1-OE2 3.59Å; R864-E945 PolarHBondContact NH1-OE2 3.04Å; R864-L946 CarbonylContact C-O 3.57Å; R864-L946 WeakPolarHBondContact CA-O 3.23Å; R864-L947 HydrophobicContact CB-CD1 4.24Å |
| 865 | I | 86.9 | Confident | 68.7 | Low | 2 Ų | 2 | 93.3 Ų | 93.3 | 1% | 0.01 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.3 | 179.3 | -62.8 | 178.8 | 0 | 0 | 0 | 108 | V863 I867 C903 P905 L907 E945 L946 V948 | V863-I865 HydrophobicContact CG1-CG1 4.01Å; I865-I867 HydrophobicContact CG2-CD1 4.06Å; I865-I867 HydrophobicContact CG2-CG1 3.74Å; I865-C903 HydrophobicContact CG2-CB 4.47Å; I865-P905 HydrophobicContact CG1-CB 4.26Å; I865-P905 WeakPolarHBondContact CG1-O 3.47Å; I865-P905 WeakPolarHBondContact CG2-O 3.47Å; I865-L907 HydrophobicContact CD1-CB 4.15Å; I865-L907 HydrophobicContact CD1-CD1 3.67Å; I865-E945 WeakPolarHBondContact O-CA 3.42Å; I865-L946 HydrophobicContact CB-CB 4.41Å; I865-L946 PolarHBondContact N-O 2.87Å; I865-L946 PolarHBondContact O-N 2.69Å; I865-V948 HydrophobicContact CD1-CG1 4.41Å; I865-V948 HydrophobicContact CD1-CG2 3.69Å; I865-V948 HydrophobicContact CG1-CG2 4.27Å |
| 866 | S | 86.5 | Confident | 71.6 | Confident | 58 Ų | 58 | 87.6 Ų | 87.6 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.2 | 178.1 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | T943 L944 | S866-T943 VanDerWaalsContact OG-CG2 3.23Å; S866-T943 WeakPolarHBondContact OG-CG2 3.43Å; S866-L944 WeakPolarHBondContact CA-O 3.2Å |
| 867 | I | 90.5 | Very high | 74.7 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.3 | -172.9 | -40.7 | -177.6 | 0 | 0 | 0 | 109.1 | I865 F875 F877 P899 A900 C903 L907 T943 L944 L946 | I865-I867 HydrophobicContact CG2-CD1 4.06Å; I865-I867 HydrophobicContact CG2-CG1 3.74Å; I867-F875 HydrophobicContact CB-CD1 4.01Å; I867-F875 HydrophobicContact CG2-CB 4.34Å; I867-F875 HydrophobicContact CG2-CD1 3.89Å; I867-F875 WeakPolarHBondContact O-CE1 3.48Å; I867-F877 HydrophobicContact CD1-CD1 4.38Å; I867-F877 HydrophobicContact CD1-CE1 4.11Å; I867-P899 HydrophobicContact CG2-CB 3.7Å; I867-A900 HydrophobicContact CD1-CB 4.08Å; I867-C903 HydrophobicContact CG1-CB 4.08Å; I867-C903 HydrophobicContact CG2-CB 4.33Å; I867-L907 HydrophobicContact CD1-CD2 4.22Å; I867-T943 WeakPolarHBondContact O-CG2 3.46Å; I867-L944 HydrophobicContact CB-CB 4.45Å; I867-L944 PolarHBondContact N-O 2.91Å; I867-L944 PolarHBondContact O-N 3.19Å; I867-L946 HydrophobicContact CD1-CD1 3.99Å |
| 868 | R | 85.7 | Confident | 77.5 | Confident | 191 Ų | 191 | 77.5 Ų | 77.5 | 72% | 0.721 | 41% | 0.414 | S | S | * | . | trans | -92.2 | 145.2 | 167.1 | -72.2 | -179.1 | 173 | 175.2 | -1.8 | 109.8 | P899 T943 | R868-P899 WeakPolarHBondContact O-CB 3.33Å; R868-T943 HydrophobicContact CG-CG2 4.15Å | ||
| 869 | P | 87.2 | Confident | 80.6 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | trans | -68.8 | 158.8 | 175.2 | 30.2 | -33.9 | 0 | 0 | 0 | 111.2 | F875 G942 | P869-F875 HydrophobicContact CB-CD1 4.33Å; P869-F875 HydrophobicContact CB-CE1 3.98Å; P869-F875 HydrophobicContact CB-CZ 4.17Å; P869-F875 HydrophobicContact CG-CE1 4.25Å; P869-F875 HydrophobicContact CG-CZ 4.4Å; P869-G942 WeakPolarHBondContact CD-O 3.38Å | ||
| 870 | D | 82.5 | Confident | 83 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 20% | 0.198 | 38% | 0.376 | C | S | . | . | trans | -74.5 | -178.6 | 168.4 | 73.3 | 1.7 | 0 | 0 | 0 | 112.1 | H872 G873 R874 M898 P899 | D870-H872 PolarHBondContact O-N 3.26Å; D870-H872 VanDerWaalsContact OD1-C 3.31Å; D870-H872 VanDerWaalsContact OD1-CA 3.31Å; D870-H872 WeakPolarHBondContact OD1-CA 3.47Å; D870-H872 WeakPolarHBondContact OD1-CB 3.39Å; D870-H872 PolarHBondContact OD1-N 3.41Å; D870-G873 PolarHBondContact O-N 3.07Å; D870-G873 PolarHBondContact OD1-N 3.06Å; D870-R874 PolarHBondContact N-O 3.05Å; D870-R874 WeakPolarHBondContact OD1-CB 3.44Å; D870-R874 PolarHBondContact OD1-N 3.5Å; D870-R874 IonicContact OD1-NE 2.59Å; D870-R874 IonicContact OD2-CZ 3.09Å; D870-R874 IonicContact OD2-NE 3.83Å; D870-R874 PolarHBondContact OD2-NE 2.84Å; D870-R874 IonicContact OD2-NH2 2.66Å; D870-R874 PolarHBondContact OD2-NH2 2.81Å; D870-M898 WeakPolarHBondContact OD2-CE 3.33Å; D870-P899 HydrophobicContact CB-CG 3.85Å | ||
| 871 | S | 78.3 | Confident | 85.1 | Confident | 115 Ų | 115 | 63.2 Ų | 63.2 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -2.1 | 176.2 | 55.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 872 | H | 80.1 | Confident | 86.4 | Confident | 135 Ų | 135 | 60.5 Ų | 60.5 | 63% | 0.625 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 12.6 | 176 | -56.8 | -73.5 | 0 | 0 | 0 | 112.4 | D870 R874 | D870-H872 PolarHBondContact O-N 3.26Å; D870-H872 VanDerWaalsContact OD1-C 3.31Å; D870-H872 VanDerWaalsContact OD1-CA 3.31Å; D870-H872 WeakPolarHBondContact OD1-CA 3.47Å; D870-H872 WeakPolarHBondContact OD1-CB 3.39Å; D870-H872 PolarHBondContact OD1-N 3.41Å; H872-R874 HydrophobicContact CB-CG 4.12Å |
| 873 | G | 81.2 | Confident | 86.9 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 79.6 | 10.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | D870 S937 | D870-G873 PolarHBondContact O-N 3.07Å; D870-G873 PolarHBondContact OD1-N 3.06Å; G873-S937 WeakPolarHBondContact O-CB 3.33Å; G873-S937 PolarHBondContact O-OG 2.77Å |
| 874 | R | 85.9 | Confident | 87.6 | Confident | 124 Ų | 124 | 63.4 Ų | 63.4 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | trans | -100.9 | 129.9 | -169.2 | -50.2 | 174.8 | -60.9 | -178.7 | 5.5 | 111.5 | D870 H872 M898 P899 | D870-R874 PolarHBondContact N-O 3.05Å; D870-R874 WeakPolarHBondContact OD1-CB 3.44Å; D870-R874 PolarHBondContact OD1-N 3.5Å; D870-R874 IonicContact OD1-NE 2.59Å; D870-R874 IonicContact OD2-CZ 3.09Å; D870-R874 IonicContact OD2-NE 3.83Å; D870-R874 PolarHBondContact OD2-NE 2.84Å; D870-R874 IonicContact OD2-NH2 2.66Å; D870-R874 PolarHBondContact OD2-NH2 2.81Å; H872-R874 HydrophobicContact CB-CG 4.12Å; R874-M898 HydrophobicContact CB-CE 3.94Å; R874-P899 WeakPolarHBondContact O-CG 3.35Å | ||
| 875 | F | 90.7 | Very high | 87.6 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | trans | -81.1 | -22.3 | 172.6 | -61.7 | -73.9 | 0 | 0 | 0 | 113.7 | I867 P869 F877 A900 I933 A936 L944 | I867-F875 HydrophobicContact CB-CD1 4.01Å; I867-F875 HydrophobicContact CG2-CB 4.34Å; I867-F875 HydrophobicContact CG2-CD1 3.89Å; I867-F875 WeakPolarHBondContact O-CE1 3.48Å; P869-F875 HydrophobicContact CB-CD1 4.33Å; P869-F875 HydrophobicContact CB-CE1 3.98Å; P869-F875 HydrophobicContact CB-CZ 4.17Å; P869-F875 HydrophobicContact CG-CE1 4.25Å; P869-F875 HydrophobicContact CG-CZ 4.4Å; F875-F877 HydrophobicContact CB-CD1 4Å; F875-F877 HydrophobicContact CB-CE1 3.79Å; F875-A900 VanDerWaalsContact O-CB 3.29Å; F875-A900 WeakPolarHBondContact O-CB 3.46Å; F875-A900 PolarHBondContact O-N 3.48Å; F875-I933 HydrophobicContact CD2-CG2 3.89Å; F875-I933 HydrophobicContact CE2-CG2 4.39Å; F875-I933 WeakPolarHBondContact CE2-O 3.33Å; F875-A936 HydrophobicContact CE2-CB 4.18Å; F875-A936 HydrophobicContact CZ-CB 4Å; F875-L944 HydrophobicContact CB-CD2 4.18Å; F875-L944 HydrophobicContact CD1-CB 3.78Å; F875-L944 HydrophobicContact CD1-CD2 3.98Å; F875-L944 HydrophobicContact CD2-CD2 3.93Å; F875-L944 HydrophobicContact CE1-CB 3.43Å; F875-L944 VanDerWaalsContact CE1-CB 3.43Å; F875-L944 HydrophobicContact CE1-CD2 4.37Å; F875-L944 HydrophobicContact CE2-CB 4.25Å; F875-L944 HydrophobicContact CE2-CD2 4.32Å; F875-L944 HydrophobicContact CG-CB 4.32Å; F875-L944 HydrophobicContact CG-CD2 3.75Å; F875-L944 HydrophobicContact CZ-CB 3.7Å | ||
| 876 | G | 90.5 | Very high | 87.4 | Confident | 15 Ų | 15 | 65 Ų | 65 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | trans | 89.6 | 20.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | G895 | G876-G895 PolarHBondContact O-N 3.35Š| ||
| 877 | F | 93.7 | Very high | 87.3 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 10% | 0.101 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 158.1 | 173.4 | 71.4 | -76.6 | 0 | 0 | 0 | 111.4 | I867 F875 I879 V891 R893 V894 A900 L907 I913 I933 L944 L946 | I867-F877 HydrophobicContact CD1-CD1 4.38Å; I867-F877 HydrophobicContact CD1-CE1 4.11Å; F875-F877 HydrophobicContact CB-CD1 4Å; F875-F877 HydrophobicContact CB-CE1 3.79Å; F877-I879 HydrophobicContact CD2-CG2 3.98Å; F877-I879 HydrophobicContact CE2-CG2 3.62Å; F877-V891 HydrophobicContact CB-CG1 4.46Å; F877-V891 HydrophobicContact CD2-CG1 4.37Å; F877-V891 HydrophobicContact CD2-CG2 4.4Å; F877-R893 CarbonylContact C-O 3.58Å; F877-R893 VanDerWaalsContact CA-O 3.29Å; F877-R893 WeakPolarHBondContact CA-O 3.5Å; F877-R893 WeakPolarHBondContact CB-O 3.43Å; F877-V894 HydrophobicContact CB-CG2 4.31Å; F877-A900 HydrophobicContact CB-CB 3.83Å; F877-A900 HydrophobicContact CD1-CB 3.79Å; F877-A900 HydrophobicContact CG-CB 4.18Å; F877-L907 HydrophobicContact CB-CD2 3.95Å; F877-L907 HydrophobicContact CD1-CD2 3.83Å; F877-L907 HydrophobicContact CD2-CD2 3.6Å; F877-L907 HydrophobicContact CE1-CD2 4.2Å; F877-L907 HydrophobicContact CE2-CD2 3.98Å; F877-L907 HydrophobicContact CG-CD2 3.5Å; F877-L907 HydrophobicContact CZ-CD2 4.27Å; F877-I913 HydrophobicContact CE2-CD1 3.91Å; F877-I933 HydrophobicContact CE2-CD1 4.18Å; F877-I933 HydrophobicContact CZ-CD1 3.99Å; F877-L944 HydrophobicContact CE1-CD2 3.61Å; F877-L944 HydrophobicContact CZ-CD2 3.8Å; F877-L946 HydrophobicContact CE1-CD1 4.47Å; F877-L946 HydrophobicContact CE2-CD1 4.5Å; F877-L946 HydrophobicContact CZ-CD1 4Å |
| 878 | N | 92.9 | Very high | 87.2 | Confident | 99 Ų | 99 | 68.6 Ų | 68.6 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 155.9 | 172.5 | -66.3 | 10.4 | 0 | 0 | 0 | 109.8 | V891 S892 R893 | N878-V891 CarbonylContact O-C 3.54Å; N878-S892 VanDerWaalsContact C-OG 3.24Å; N878-S892 VanDerWaalsContact CB-OG 3.29Å; N878-S892 WeakPolarHBondContact CB-OG 3.19Å; N878-S892 PolarHBondContact O-N 3.09Å; N878-S892 PolarHBondContact O-OG 2.79Å; N878-R893 HydrophobicContact CB-CB 4.08Å; N878-R893 PolarHBondContact N-O 2.81Å; N878-R893 PolarHBondContact O-N 3.14Å |
| 879 | I | 93.5 | Very high | 87.6 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 163.6 | 173.4 | 56.6 | 168.3 | 0 | 0 | 0 | 111.5 | F877 I889 I890 S892 I913 V929 V930 I933 | F877-I879 HydrophobicContact CD2-CG2 3.98Å; F877-I879 HydrophobicContact CE2-CG2 3.62Å; I879-I889 HydrophobicContact CB-CG2 4.28Å; I879-I889 HydrophobicContact CD1-CG2 4.24Å; I879-I889 HydrophobicContact CG2-CG2 4.23Å; I879-I890 CarbonylContact C-O 3.52Å; I879-I890 VanDerWaalsContact CA-O 3.29Å; I879-I890 WeakPolarHBondContact CA-O 3.45Å; I879-S892 PolarHBondContact N-OG 2.76Å; I879-S892 PolarHBondContact O-OG 3.04Å; I879-I913 HydrophobicContact CG2-CD1 3.79Å; I879-V929 HydrophobicContact CD1-CB 4.03Å; I879-V929 HydrophobicContact CD1-CG1 3.48Å; I879-V929 VanDerWaalsContact CD1-CG1 3.48Å; I879-V930 HydrophobicContact CD1-CG2 4.02Å; I879-V930 HydrophobicContact CG1-CG2 4.33Å; I879-I933 HydrophobicContact CD1-CD1 3.97Å; I879-I933 HydrophobicContact CG2-CD1 4.32Å |
| 880 | K | 90.9 | Very high | 87.8 | Confident | 119 Ų | 119 | 59.8 Ų | 59.8 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 164.1 | 166.2 | 65.8 | -177.8 | 179.3 | 178.8 | 0 | 109.3 | I889 I890 | K880-I889 WeakPolarHBondContact O-CA 3.29Å; K880-I890 HydrophobicContact CG-CB 4.03Å; K880-I890 HydrophobicContact CG-CG2 4.37Å; K880-I890 PolarHBondContact N-O 2.86Å; K880-I890 PolarHBondContact O-N 3.32Å |
| 881 | G | 90 | Very high | 88.3 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.8 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T887 I889 H926 | G881-T887 WeakPolarHBondContact CA-OG1 3.38Å; G881-I889 WeakPolarHBondContact O-CD1 3.29Å; G881-H926 WeakPolarHBondContact O-CB 3.38Å; G881-H926 PolarHBondContact O-ND1 2.8Å |
| 882 | G | 88.8 | Confident | 88.9 | Confident | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | 160.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | D884 H885 G886 T887 | G882-D884 VanDerWaalsContact C-OD1 3.32Å; G882-D884 WeakPolarHBondContact CA-OD1 3.44Å; G882-D884 PolarHBondContact O-N 3.48Å; G882-H885 CarbonylContact O-C 3.53Å; G882-H885 WeakPolarHBondContact O-CA 3.34Å; G882-H885 PolarHBondContact O-N 2.95Å; G882-G886 PolarHBondContact O-N 2.83Å; G882-T887 CarbonylContact C-O 3.59Å; G882-T887 PolarHBondContact N-O 3.4Å; G882-T887 PolarHBondContact O-N 3.01Å; G882-T887 VanDerWaalsContact O-O 3.11Å |
| 883 | V | 88.6 | Confident | 89.4 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -61.3 | -30.6 | 177.7 | 72.8 | 0 | 0 | 0 | 0 | 112.2 | H885 G886 Q924 T925 | V883-H885 VanDerWaalsContact C-N 3.25Å; V883-H885 PolarHBondContact O-N 3.11Å; V883-G886 PolarHBondContact O-N 3Å; V883-Q924 PolarHBondContact N-O 3.25Å; V883-T925 HydrophobicContact CG1-CG2 3.82Å |
| 884 | D | 90 | Very high | 89.7 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 43% | 0.428 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -70.3 | -12.9 | 170.6 | 55.1 | -27.9 | 0 | 0 | 0 | 114.5 | G882 T925 H926 | G882-D884 VanDerWaalsContact C-OD1 3.32Å; G882-D884 WeakPolarHBondContact CA-OD1 3.44Å; G882-D884 PolarHBondContact O-N 3.48Å; D884-T925 HydrophobicContact CB-CG2 4.02Å; D884-T925 WeakPolarHBondContact OD1-CA 3.36Å; D884-H926 PolarHBondContact OD1-N 3.42Å; D884-H926 PolarHBondContact OD2-N 2.71Å |
| 885 | H | 85.3 | Confident | 89.6 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -112.5 | 6.4 | 175.6 | -64.6 | -25.7 | 0 | 0 | 0 | 112.9 | G882 V883 T887 H926 | G882-H885 CarbonylContact O-C 3.53Å; G882-H885 WeakPolarHBondContact O-CA 3.34Å; G882-H885 PolarHBondContact O-N 2.95Å; V883-H885 VanDerWaalsContact C-N 3.25Å; V883-H885 PolarHBondContact O-N 3.11Å; H885-T887 WeakPolarHBondContact CB-OG1 3.41Å; H885-T887 PolarHBondContact O-N 2.88Å; H885-T887 PolarHBondContact O-OG1 2.94Å; H885-H926 AromaticContact NE2-CG 3.8Å |
| 886 | G | 82.5 | Confident | 88.9 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 76% | 0.763 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 20 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G882 V883 | G882-G886 PolarHBondContact O-N 2.83Å; V883-G886 PolarHBondContact O-N 3Å |
| 887 | T | 83.7 | Confident | 88.2 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.1 | -169.7 | 39.5 | 0 | 0 | 0 | 0 | 110.2 | G881 G882 H885 | G881-T887 WeakPolarHBondContact CA-OG1 3.38Å; G882-T887 CarbonylContact C-O 3.59Å; G882-T887 PolarHBondContact N-O 3.4Å; G882-T887 PolarHBondContact O-N 3.01Å; G882-T887 VanDerWaalsContact O-O 3.11Å; H885-T887 WeakPolarHBondContact CB-OG1 3.41Å; H885-T887 PolarHBondContact O-N 2.88Å; H885-T887 PolarHBondContact O-OG1 2.94Å |
| 888 | P | 88.9 | Confident | 87.9 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 41% | 0.409 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 157.4 | -178.7 | 29.2 | -35.4 | 0 | 0 | 0 | 111.8 | I890 Q912 | P888-I890 HydrophobicContact CG-CD1 4.07Å; P888-I890 HydrophobicContact CG-CG1 4.36Å; P888-I890 PolarHBondContact O-N 2.63Å; P888-Q912 HydrophobicContact CB-CG 4.18Å |
| 889 | I | 94 | Very high | 87.6 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 116.6 | 174.9 | -52.7 | -57.7 | 0 | 0 | 0 | 109.4 | I879 K880 G881 Q912 I913 V921 V929 | I879-I889 HydrophobicContact CB-CG2 4.28Å; I879-I889 HydrophobicContact CD1-CG2 4.24Å; I879-I889 HydrophobicContact CG2-CG2 4.23Å; K880-I889 WeakPolarHBondContact O-CA 3.29Å; G881-I889 WeakPolarHBondContact O-CD1 3.29Å; I889-Q912 CarbonylContact O-C 3.5Å; I889-Q912 WeakPolarHBondContact O-CA 3.28Å; I889-I913 HydrophobicContact CB-CB 4.25Å; I889-I913 HydrophobicContact CG2-CB 3.84Å; I889-I913 HydrophobicContact CG2-CD1 4.06Å; I889-I913 HydrophobicContact CG2-CG1 4.2Å; I889-I913 PolarHBondContact O-N 2.83Å; I889-V921 HydrophobicContact CB-CG2 4.06Å; I889-V921 HydrophobicContact CG1-CB 4.18Å; I889-V921 HydrophobicContact CG1-CG2 3.63Å; I889-V929 HydrophobicContact CD1-CB 4.18Å; I889-V929 HydrophobicContact CD1-CG1 4.21Å; I889-V929 HydrophobicContact CD1-CG2 3.72Å; I889-V929 HydrophobicContact CG1-CG1 4.28Å; I889-V929 HydrophobicContact CG1-CG2 4.03Å; I889-V929 HydrophobicContact CG2-CG1 4.05Å |
| 890 | I | 91.4 | Very high | 87.3 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139 | -179.2 | -69 | 163.6 | 0 | 0 | 0 | 109.3 | I879 K880 P888 S892 D911 | I879-I890 CarbonylContact C-O 3.52Å; I879-I890 VanDerWaalsContact CA-O 3.29Å; I879-I890 WeakPolarHBondContact CA-O 3.45Å; K880-I890 HydrophobicContact CG-CB 4.03Å; K880-I890 HydrophobicContact CG-CG2 4.37Å; K880-I890 PolarHBondContact N-O 2.86Å; K880-I890 PolarHBondContact O-N 3.32Å; P888-I890 HydrophobicContact CG-CD1 4.07Å; P888-I890 HydrophobicContact CG-CG1 4.36Å; P888-I890 PolarHBondContact O-N 2.63Å; I890-S892 PolarHBondContact O-N 2.91Å; I890-D911 CarbonylContact C-O 3.57Å; I890-D911 WeakPolarHBondContact CA-O 3.41Å |
| 891 | V | 92.9 | Very high | 87.1 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 113.7 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | F877 N878 V894 L907 S908 G910 D911 I913 | F877-V891 HydrophobicContact CB-CG1 4.46Å; F877-V891 HydrophobicContact CD2-CG1 4.37Å; F877-V891 HydrophobicContact CD2-CG2 4.4Å; N878-V891 CarbonylContact O-C 3.54Å; V891-V894 HydrophobicContact CG1-CG2 3.66Å; V891-L907 HydrophobicContact CG1-CD2 4.28Å; V891-L907 HydrophobicContact CG1-CG 4.34Å; V891-L907 HydrophobicContact CG2-CD1 3.78Å; V891-L907 HydrophobicContact CG2-CD2 3.87Å; V891-L907 HydrophobicContact CG2-CG 3.82Å; V891-S908 WeakPolarHBondContact CB-O 3.43Å; V891-S908 WeakPolarHBondContact CG1-O 3.27Å; V891-G910 PolarHBondContact O-N 3Å; V891-D911 HydrophobicContact CG2-CB 4.15Å; V891-D911 PolarHBondContact N-O 3.36Å; V891-I913 HydrophobicContact CG2-CD1 4.14Å; V891-I913 HydrophobicContact CG2-CG1 4.17Å |
| 892 | S | 92.2 | Very high | 86.4 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -22 | -173.9 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | N878 I879 I890 | N878-S892 VanDerWaalsContact C-OG 3.24Å; N878-S892 VanDerWaalsContact CB-OG 3.29Å; N878-S892 WeakPolarHBondContact CB-OG 3.19Å; N878-S892 PolarHBondContact O-N 3.09Å; N878-S892 PolarHBondContact O-OG 2.79Å; I879-S892 PolarHBondContact N-OG 2.76Å; I879-S892 PolarHBondContact O-OG 3.04Å; I890-S892 PolarHBondContact O-N 2.91Å |
| 893 | R | 89.5 | Confident | 85.9 | Confident | 164 Ų | 164 | 55.6 Ų | 55.6 | 62% | 0.619 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 146.8 | 173.5 | -162.4 | 176.5 | -178.6 | 174.8 | 1.5 | 111.2 | F877 N878 E909 | F877-R893 CarbonylContact C-O 3.58Å; F877-R893 VanDerWaalsContact CA-O 3.29Å; F877-R893 WeakPolarHBondContact CA-O 3.5Å; F877-R893 WeakPolarHBondContact CB-O 3.43Å; N878-R893 HydrophobicContact CB-CB 4.08Å; N878-R893 PolarHBondContact N-O 2.81Å; N878-R893 PolarHBondContact O-N 3.14Å; R893-E909 VanDerWaalsContact CA-OE1 3.23Å; R893-E909 WeakPolarHBondContact CA-OE1 3.46Å; R893-E909 WeakPolarHBondContact CG-OE1 3.48Å |
| 894 | V | 88.6 | Confident | 84.7 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.6 | 169.2 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | F877 V891 A900 D901 E909 | F877-V894 HydrophobicContact CB-CG2 4.31Å; V891-V894 HydrophobicContact CG1-CG2 3.66Å; V894-A900 HydrophobicContact CG1-CB 4.18Å; V894-D901 HydrophobicContact CG1-CB 3.89Å; V894-E909 HydrophobicContact CB-CG 4.2Å; V894-E909 HydrophobicContact CG2-CG 3.91Å; V894-E909 PolarHBondContact N-OE1 3.01Å |
| 895 | G | 82.8 | Confident | 84.1 | Confident | 25 Ų | 25 | 52 Ų | 52 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | trans | -83 | 121.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G876 N897 M898 D901 | G876-G895 PolarHBondContact O-N 3.35Å; G895-N897 PolarHBondContact O-N 3.46Å; G895-M898 WeakPolarHBondContact O-CB 3.49Å; G895-M898 WeakPolarHBondContact O-CG 3.43Å; G895-M898 PolarHBondContact O-N 2.89Å; G895-D901 VanDerWaalsContact O-CB 3.29Å; G895-D901 WeakPolarHBondContact O-CB 3.44Å | ||
| 896 | A | 75.6 | Confident | 83.8 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 65% | 0.653 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 135.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M898 D901 | A896-M898 PolarHBondContact O-N 3.1Å; A896-M898 VanDerWaalsContact O-N 3.14Å; A896-D901 WeakPolarHBondContact CA-OD2 3.44Å |
| 897 | N | 75.7 | Confident | 84 | Confident | 108 Ų | 108 | 50 Ų | 50 | 58% | 0.578 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 13.8 | -173.4 | -53 | -36.8 | 0 | 0 | 0 | 115.4 | G895 D901 L902 | G895-N897 PolarHBondContact O-N 3.46Å; N897-D901 PolarHBondContact N-OD2 2.84Å; N897-L902 WeakPolarHBondContact O-CD1 3.45Å |
| 898 | M | 87.2 | Confident | 84.1 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 20% | 0.197 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -88.9 | 166.3 | 171.2 | -60.5 | -73.9 | -60.9 | 0 | 0 | 110.8 | D870 R874 G895 A896 A900 D901 L902 | D870-M898 WeakPolarHBondContact OD2-CE 3.33Å; R874-M898 HydrophobicContact CB-CE 3.94Å; G895-M898 WeakPolarHBondContact O-CB 3.49Å; G895-M898 WeakPolarHBondContact O-CG 3.43Å; G895-M898 PolarHBondContact O-N 2.89Å; A896-M898 PolarHBondContact O-N 3.1Å; A896-M898 VanDerWaalsContact O-N 3.14Å; M898-A900 VanDerWaalsContact C-N 3.28Å; M898-A900 PolarHBondContact O-N 3.31Å; M898-A900 VanDerWaalsContact O-N 3.09Å; M898-D901 WeakPolarHBondContact O-CB 3.29Å; M898-D901 PolarHBondContact O-N 2.83Å; M898-L902 WeakPolarHBondContact O-CG 3.29Å; M898-L902 PolarHBondContact O-N 2.84Å; M898-L902 VanDerWaalsContact O-N 3.09Å |
| 899 | P | 86.7 | Confident | 84 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.5 | -31.3 | -171.9 | -29.1 | 37 | 0 | 0 | 0 | 116.1 | I867 R868 D870 R874 L902 C903 | I867-P899 HydrophobicContact CG2-CB 3.7Å; R868-P899 WeakPolarHBondContact O-CB 3.33Å; D870-P899 HydrophobicContact CB-CG 3.85Å; R874-P899 WeakPolarHBondContact O-CG 3.35Å; P899-L902 CarbonylContact O-C 3.54Å; P899-L902 PolarHBondContact O-N 2.87Å; P899-C903 WeakPolarHBondContact O-CA 3.14Å; P899-C903 WeakPolarHBondContact O-CB 3.35Å; P899-C903 PolarHBondContact O-N 3.06Å |
| 900 | A | 88 | Confident | 83.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.7 | -27.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I867 F875 F877 V894 M898 C903 L907 | I867-A900 HydrophobicContact CD1-CB 4.08Å; F875-A900 VanDerWaalsContact O-CB 3.29Å; F875-A900 WeakPolarHBondContact O-CB 3.46Å; F875-A900 PolarHBondContact O-N 3.48Å; F877-A900 HydrophobicContact CB-CB 3.83Å; F877-A900 HydrophobicContact CD1-CB 3.79Å; F877-A900 HydrophobicContact CG-CB 4.18Å; V894-A900 HydrophobicContact CG1-CB 4.18Å; M898-A900 VanDerWaalsContact C-N 3.28Å; M898-A900 PolarHBondContact O-N 3.31Å; M898-A900 VanDerWaalsContact O-N 3.09Å; A900-C903 PolarHBondContact O-SG 2.82Å; A900-L907 HydrophobicContact CB-CB 4.41Å; A900-L907 HydrophobicContact CB-CD2 4.14Å |
| 901 | D | 86.7 | Confident | 83.5 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -77 | -28.1 | 172.2 | -172.3 | 42.7 | 0 | 0 | 0 | 111.8 | V894 G895 A896 N897 M898 R906 | V894-D901 HydrophobicContact CG1-CB 3.89Å; G895-D901 VanDerWaalsContact O-CB 3.29Å; G895-D901 WeakPolarHBondContact O-CB 3.44Å; A896-D901 WeakPolarHBondContact CA-OD2 3.44Å; N897-D901 PolarHBondContact N-OD2 2.84Å; M898-D901 WeakPolarHBondContact O-CB 3.29Å; M898-D901 PolarHBondContact O-N 2.83Å; D901-R906 WeakPolarHBondContact O-CD 3.22Å; D901-R906 PolarHBondContact O-NE 2.89Å; D901-R906 IonicContact OD1-CZ 2.71Å; D901-R906 IonicContact OD1-NE 2.61Å; D901-R906 PolarHBondContact OD1-NE 3.29Å; D901-R906 IonicContact OD1-NH2 3.83Å; D901-R906 PolarHBondContact OD1-NH2 3.19Å |
| 902 | L | 76 | Confident | 83.5 | Confident | 96 Ų | 96 | 53.2 Ų | 53.2 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -98.5 | -10.5 | -177.2 | -59.7 | 179.1 | 0 | 0 | 0 | 114.2 | N897 M898 P899 I904 | N897-L902 WeakPolarHBondContact O-CD1 3.45Å; M898-L902 WeakPolarHBondContact O-CG 3.29Å; M898-L902 PolarHBondContact O-N 2.84Å; M898-L902 VanDerWaalsContact O-N 3.09Å; P899-L902 CarbonylContact O-C 3.54Å; P899-L902 PolarHBondContact O-N 2.87Å; L902-I904 WeakPolarHBondContact O-CD1 3.35Å |
| 903 | C | 78.7 | Confident | 83.6 | Confident | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.081 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -72.7 | 155.9 | 177.9 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | I865 I867 P899 A900 P905 R906 | I865-C903 HydrophobicContact CG2-CB 4.47Å; I867-C903 HydrophobicContact CG1-CB 4.08Å; I867-C903 HydrophobicContact CG2-CB 4.33Å; P899-C903 WeakPolarHBondContact O-CA 3.14Å; P899-C903 WeakPolarHBondContact O-CB 3.35Å; P899-C903 PolarHBondContact O-N 3.06Å; A900-C903 PolarHBondContact O-SG 2.82Å; C903-P905 CarbonylContact O-C 3.5Å; C903-R906 WeakPolarHBondContact O-CA 3.22Å; C903-R906 WeakPolarHBondContact O-CB 3.37Å; C903-R906 PolarHBondContact O-N 2.95Å |
| 904 | I | 61.4 | Low | 83.7 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -133.6 | 124.6 | -179.2 | -64.5 | 114.6 | 0 | 0 | 0 | 109.1 | L902 | L902-I904 WeakPolarHBondContact O-CD1 3.35Š|
| 905 | P | 79.3 | Confident | 83.9 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | S | Bend | cis | -59.4 | 143.8 | -6.5 | -23.6 | 35.9 | 0 | 0 | 0 | 113 | V863 R864 I865 C903 | V863-P905 HydrophobicContact CG1-CB 3.68Å; V863-P905 HydrophobicContact CG1-CG 3.72Å; R864-P905 WeakPolarHBondContact O-CD 3.49Å; I865-P905 HydrophobicContact CG1-CB 4.26Å; I865-P905 WeakPolarHBondContact CG1-O 3.47Å; I865-P905 WeakPolarHBondContact CG2-O 3.47Å; C903-P905 CarbonylContact O-C 3.5Å |
| 906 | R | 78.1 | Confident | 84.4 | Confident | 136 Ų | 136 | 46.8 Ų | 46.8 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 126.6 | -173.9 | 178.8 | 174.4 | 174.8 | -95.5 | 7 | 111.5 | D901 C903 | D901-R906 WeakPolarHBondContact O-CD 3.22Å; D901-R906 PolarHBondContact O-NE 2.89Å; D901-R906 IonicContact OD1-CZ 2.71Å; D901-R906 IonicContact OD1-NE 2.61Å; D901-R906 PolarHBondContact OD1-NE 3.29Å; D901-R906 IonicContact OD1-NH2 3.83Å; D901-R906 PolarHBondContact OD1-NH2 3.19Å; C903-R906 WeakPolarHBondContact O-CA 3.22Å; C903-R906 WeakPolarHBondContact O-CB 3.37Å; C903-R906 PolarHBondContact O-N 2.95Å |
| 907 | L | 86.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 130.4 | 173.4 | -166.9 | 69.9 | 0 | 0 | 0 | 109.8 | I865 I867 F877 V891 A900 L946 V948 | I865-L907 HydrophobicContact CD1-CB 4.15Å; I865-L907 HydrophobicContact CD1-CD1 3.67Å; I867-L907 HydrophobicContact CD1-CD2 4.22Å; F877-L907 HydrophobicContact CB-CD2 3.95Å; F877-L907 HydrophobicContact CD1-CD2 3.83Å; F877-L907 HydrophobicContact CD2-CD2 3.6Å; F877-L907 HydrophobicContact CE1-CD2 4.2Å; F877-L907 HydrophobicContact CE2-CD2 3.98Å; F877-L907 HydrophobicContact CG-CD2 3.5Å; F877-L907 HydrophobicContact CZ-CD2 4.27Å; V891-L907 HydrophobicContact CG1-CD2 4.28Å; V891-L907 HydrophobicContact CG1-CG 4.34Å; V891-L907 HydrophobicContact CG2-CD1 3.78Å; V891-L907 HydrophobicContact CG2-CD2 3.87Å; V891-L907 HydrophobicContact CG2-CG 3.82Å; A900-L907 HydrophobicContact CB-CB 4.41Å; A900-L907 HydrophobicContact CB-CD2 4.14Å; L907-L946 HydrophobicContact CD1-CD1 3.96Å; L907-L946 HydrophobicContact CD2-CD1 4.04Å; L907-V948 HydrophobicContact CD1-CG1 3.95Å |
| 908 | S | 85.2 | Confident | 85.6 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | trans | -115.4 | 150.5 | -176.5 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | V891 G910 D911 | V891-S908 WeakPolarHBondContact CB-O 3.43Å; V891-S908 WeakPolarHBondContact CG1-O 3.27Å; S908-G910 PolarHBondContact O-N 2.66Å; S908-D911 WeakPolarHBondContact CA-OD2 3.34Å; S908-D911 WeakPolarHBondContact CB-OD2 3.28Å; S908-D911 PolarHBondContact N-OD2 3.09Å; S908-D911 WeakPolarHBondContact O-CB 3.35Å; S908-D911 PolarHBondContact O-N 2.85Å | ||
| 909 | E | 87.5 | Confident | 85.6 | Confident | 115 Ų | 115 | 50.7 Ų | 50.7 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 128.8 | 172.4 | -62.2 | -175.6 | 165.4 | 0 | 0 | 109.6 | R893 V894 | R893-E909 VanDerWaalsContact CA-OE1 3.23Å; R893-E909 WeakPolarHBondContact CA-OE1 3.46Å; R893-E909 WeakPolarHBondContact CG-OE1 3.48Å; V894-E909 HydrophobicContact CB-CG 4.2Å; V894-E909 HydrophobicContact CG2-CG 3.91Å; V894-E909 PolarHBondContact N-OE1 3.01Å |
| 910 | G | 84.9 | Confident | 85.8 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -15.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V891 S908 Q912 S951 | V891-G910 PolarHBondContact O-N 3Å; S908-G910 PolarHBondContact O-N 2.66Å; G910-Q912 PolarHBondContact O-N 3.4Å; G910-S951 WeakPolarHBondContact O-CB 3.29Å |
| 911 | D | 90.5 | Very high | 86 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 134.8 | 178.4 | -71 | -17.4 | 0 | 0 | 0 | 111.5 | I890 V891 S908 V948 P950 S951 | I890-D911 CarbonylContact C-O 3.57Å; I890-D911 WeakPolarHBondContact CA-O 3.41Å; V891-D911 HydrophobicContact CG2-CB 4.15Å; V891-D911 PolarHBondContact N-O 3.36Å; S908-D911 WeakPolarHBondContact CA-OD2 3.34Å; S908-D911 WeakPolarHBondContact CB-OD2 3.28Å; S908-D911 PolarHBondContact N-OD2 3.09Å; S908-D911 WeakPolarHBondContact O-CB 3.35Å; S908-D911 PolarHBondContact O-N 2.85Å; D911-V948 HydrophobicContact CB-CB 4.47Å; D911-P950 WeakPolarHBondContact OD1-CA 3.44Å; D911-S951 PolarHBondContact OD1-N 3.18Å; D911-S951 VanDerWaalsContact OD1-N 3.15Å |
| 912 | Q | 92.4 | Very high | 86 | Confident | 59 Ų | 59 | 55 Ų | 55 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122 | 177.8 | -179.2 | -174.5 | -1.6 | 0 | 0 | 110 | P888 I889 G910 L914 V948 K949 | P888-Q912 HydrophobicContact CB-CG 4.18Å; I889-Q912 CarbonylContact O-C 3.5Å; I889-Q912 WeakPolarHBondContact O-CA 3.28Å; G910-Q912 PolarHBondContact O-N 3.4Å; Q912-L914 HydrophobicContact CG-CD2 4.08Å; Q912-V948 CarbonylContact O-C 3.56Å; Q912-V948 WeakPolarHBondContact O-CA 3.45Å; Q912-K949 HydrophobicContact CB-CB 4.34Å; Q912-K949 PolarHBondContact N-O 3.01Å; Q912-K949 PolarHBondContact O-N 2.93Å |
| 913 | I | 93.7 | Very high | 86.6 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.8 | 175.2 | -52.3 | 179.7 | 0 | 0 | 0 | 109.1 | F877 I879 I889 V891 I916 V921 L946 V948 | F877-I913 HydrophobicContact CE2-CD1 3.91Å; I879-I913 HydrophobicContact CG2-CD1 3.79Å; I889-I913 HydrophobicContact CB-CB 4.25Å; I889-I913 HydrophobicContact CG2-CB 3.84Å; I889-I913 HydrophobicContact CG2-CD1 4.06Å; I889-I913 HydrophobicContact CG2-CG1 4.2Å; I889-I913 PolarHBondContact O-N 2.83Å; V891-I913 HydrophobicContact CG2-CD1 4.14Å; V891-I913 HydrophobicContact CG2-CG1 4.17Å; I913-I916 HydrophobicContact CG2-CD1 4.21Å; I913-I916 HydrophobicContact CG2-CG1 3.77Å; I913-V921 HydrophobicContact CG2-CG2 4.27Å; I913-V921 WeakPolarHBondContact O-CG2 3.34Å; I913-L946 HydrophobicContact CD1-CD1 4.39Å; I913-L946 HydrophobicContact CD1-CD2 4.49Å; I913-L946 HydrophobicContact CG2-CD2 4.26Å; I913-V948 HydrophobicContact CG1-CG1 4.19Å |
| 914 | L | 91.5 | Very high | 87.1 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -37.6 | 178.9 | -58.7 | 179.2 | 0 | 0 | 0 | 112 | L862 Q912 V921 L947 K949 | L862-L914 HydrophobicContact CD1-CD1 4.04Å; L862-L914 HydrophobicContact CD2-CD1 3.63Å; Q912-L914 HydrophobicContact CG-CD2 4.08Å; L914-V921 PolarHBondContact O-N 2.66Å; L914-L947 PolarHBondContact N-O 3.02Å; L914-K949 HydrophobicContact CD1-CB 4.29Å |
| 915 | F | 94.3 | Very high | 88.6 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.7 | 177.1 | -66.3 | -109.1 | 0 | 0 | 0 | 111.6 | K919 D920 L946 L947 | F915-K919 CarbonylContact C-O 3.59Å; F915-K919 WeakPolarHBondContact CA-O 3.28Å; F915-D920 HydrophobicContact CD1-CB 4.12Å; F915-D920 HydrophobicContact CE1-CB 3.78Å; F915-D920 HydrophobicContact CZ-CB 4.16Å; F915-L946 WeakPolarHBondContact O-CA 3.28Å; F915-L947 HydrophobicContact CB-CB 3.87Å; F915-L947 HydrophobicContact CD2-CB 4.01Å; F915-L947 HydrophobicContact CD2-CD2 3.64Å; F915-L947 HydrophobicContact CD2-CG 4.42Å; F915-L947 HydrophobicContact CE2-CD2 4Å; F915-L947 HydrophobicContact CG-CB 4.32Å; F915-L947 PolarHBondContact N-O 3.43Å; F915-L947 PolarHBondContact O-N 2.82Å |
| 916 | I | 93.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.7 | 170.5 | -61.9 | -172.4 | 0 | 0 | 0 | 108.8 | I913 H918 K919 V921 V929 M932 I933 L944 E945 L946 | I913-I916 HydrophobicContact CG2-CD1 4.21Å; I913-I916 HydrophobicContact CG2-CG1 3.77Å; I916-H918 PolarHBondContact O-N 2.99Å; I916-K919 PolarHBondContact N-O 3.28Å; I916-K919 WeakPolarHBondContact O-CB 3.25Å; I916-K919 PolarHBondContact O-N 2.91Å; I916-V921 HydrophobicContact CB-CG1 4.06Å; I916-V921 HydrophobicContact CD1-CG1 4.03Å; I916-V921 HydrophobicContact CG1-CG1 3.71Å; I916-V929 HydrophobicContact CD1-CG1 3.56Å; I916-M932 HydrophobicContact CG2-CB 4.22Å; I916-I933 HydrophobicContact CD1-CD1 4.03Å; I916-I933 HydrophobicContact CD1-CG1 3.71Å; I916-L944 HydrophobicContact CG2-CD1 3.66Å; I916-E945 CarbonylContact C-O 3.46Å; I916-E945 WeakPolarHBondContact CA-O 3.26Å; I916-L946 HydrophobicContact CB-CD2 4.48Å; I916-L946 HydrophobicContact CD1-CD2 4.26Å; I916-L946 HydrophobicContact CG1-CD2 3.76Å; I916-L946 HydrophobicContact CG2-CD2 4.49Å |
| 917 | N | 90.2 | Very high | 89.9 | Confident | 48 Ų | 48 | 57 Ų | 57 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | 51.7 | -175.9 | -69 | 14.6 | 0 | 0 | 0 | 111.8 | K919 T943 L944 E945 | N917-K919 PolarHBondContact O-N 3.33Å; N917-T943 PolarHBondContact ND2-O 3.47Å; N917-L944 WeakPolarHBondContact OD1-CA 3.43Å; N917-E945 PolarHBondContact N-O 2.78Å; N917-E945 PolarHBondContact OD1-N 3.39Å; N917-E945 PolarHBondContact OD1-O 2.81Å |
| 918 | H | 84.9 | Confident | 90.2 | Very high | 130 Ų | 130 | 61.2 Ų | 61.2 | 60% | 0.602 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 6.2 | -177.8 | -37 | -52.2 | 0 | 0 | 0 | 116.6 | I916 E945 | I916-H918 PolarHBondContact O-N 2.99Å; H918-E945 IonicContact CE1-OE2 3.26Å; H918-E945 PolarHBondContact CE1-OE2 3.23Å; H918-E945 VanDerWaalsContact CE1-OE2 3.32Å |
| 919 | K | 88.1 | Confident | 90.6 | Very high | 131 Ų | 131 | 59.3 Ų | 59.3 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128.5 | 171.7 | -61.4 | -179.6 | -179.4 | 179.2 | 0 | 110.6 | F915 I916 N917 M932 | F915-K919 CarbonylContact C-O 3.59Å; F915-K919 WeakPolarHBondContact CA-O 3.28Å; I916-K919 PolarHBondContact N-O 3.28Å; I916-K919 WeakPolarHBondContact O-CB 3.25Å; I916-K919 PolarHBondContact O-N 2.91Å; N917-K919 PolarHBondContact O-N 3.33Å; K919-M932 HydrophobicContact CB-SD 4.27Å; K919-M932 HydrophobicContact CD-SD 3.94Å |
| 920 | D | 91.2 | Very high | 90.9 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.4 | 170.9 | 177.6 | 16.1 | 0 | 0 | 0 | 110.4 | F915 S922 | F915-D920 HydrophobicContact CD1-CB 4.12Å; F915-D920 HydrophobicContact CE1-CB 3.78Å; F915-D920 HydrophobicContact CZ-CB 4.16Å; D920-S922 WeakPolarHBondContact OD1-CB 3.16Å; D920-S922 PolarHBondContact OD1-N 3.25Å; D920-S922 PolarHBondContact OD1-OG 3.47Å; D920-S922 VanDerWaalsContact OD1-OG 3.08Å; D920-S922 PolarHBondContact OD2-OG 2.81Å |
| 921 | V | 92.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | trans | -102.9 | -0.3 | 178.7 | -51.7 | 0 | 0 | 0 | 0 | 114.2 | I889 I913 L914 I916 N923 Q924 V929 M932 | I889-V921 HydrophobicContact CB-CG2 4.06Å; I889-V921 HydrophobicContact CG1-CB 4.18Å; I889-V921 HydrophobicContact CG1-CG2 3.63Å; I913-V921 HydrophobicContact CG2-CG2 4.27Å; I913-V921 WeakPolarHBondContact O-CG2 3.34Å; L914-V921 PolarHBondContact O-N 2.66Å; I916-V921 HydrophobicContact CB-CG1 4.06Å; I916-V921 HydrophobicContact CD1-CG1 4.03Å; I916-V921 HydrophobicContact CG1-CG1 3.71Å; V921-N923 PolarHBondContact O-N 2.81Å; V921-N923 VanDerWaalsContact O-N 3.15Å; V921-Q924 HydrophobicContact CB-CG 4.37Å; V921-Q924 PolarHBondContact O-N 2.79Å; V921-Q924 VanDerWaalsContact O-N 3.13Å; V921-V929 HydrophobicContact CB-CG2 4.04Å; V921-V929 HydrophobicContact CG1-CG2 4.33Å; V921-M932 HydrophobicContact CG1-CE 3.82Å | ||
| 922 | S | 85.6 | Confident | 91.3 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 49% | 0.49 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37.9 | -177.2 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | D920 | D920-S922 WeakPolarHBondContact OD1-CB 3.16Å; D920-S922 PolarHBondContact OD1-N 3.25Å; D920-S922 PolarHBondContact OD1-OG 3.47Å; D920-S922 VanDerWaalsContact OD1-OG 3.08Å; D920-S922 PolarHBondContact OD2-OG 2.81Å |
| 923 | N | 88 | Confident | 91.3 | Very high | 125 Ų | 125 | 56.9 Ų | 56.9 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 17.3 | -175.9 | -69.6 | -75.4 | 0 | 0 | 0 | 113.3 | V921 | V921-N923 PolarHBondContact O-N 2.81Å; V921-N923 VanDerWaalsContact O-N 3.15Å |
| 924 | Q | 89.9 | Confident | 91 | Very high | 53 Ų | 53 | 63.4 Ų | 63.4 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | trans | -99.1 | 145.8 | -176.5 | -58.7 | -71.8 | -22.5 | 0 | 0 | 111.3 | V883 V921 Q928 V929 M932 | V883-Q924 PolarHBondContact N-O 3.25Å; V921-Q924 HydrophobicContact CB-CG 4.37Å; V921-Q924 PolarHBondContact O-N 2.79Å; V921-Q924 VanDerWaalsContact O-N 3.13Å; Q924-Q928 HydrophobicContact CB-CB 4.22Å; Q924-V929 HydrophobicContact CB-CG2 3.51Å; Q924-V929 HydrophobicContact CG-CG2 4.43Å; Q924-M932 HydrophobicContact CB-CE 4.41Å; Q924-M932 HydrophobicContact CG-CE 3.93Å | ||
| 925 | T | 93.2 | Very high | 90.8 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 23% | 0.233 | 32% | 0.321 | C | S | . | . | trans | -73.8 | 157.3 | 171 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | V883 D884 L927 Q928 V929 | V883-T925 HydrophobicContact CG1-CG2 3.82Å; D884-T925 HydrophobicContact CB-CG2 4.02Å; D884-T925 WeakPolarHBondContact OD1-CA 3.36Å; T925-L927 PolarHBondContact O-N 3.5Å; T925-Q928 WeakPolarHBondContact O-CB 3.41Å; T925-Q928 PolarHBondContact O-N 2.87Å; T925-Q928 WeakPolarHBondContact OG1-CB 3.35Å; T925-Q928 VanDerWaalsContact OG1-CD 3.25Å; T925-Q928 VanDerWaalsContact OG1-CG 3.26Å; T925-Q928 WeakPolarHBondContact OG1-CG 3.3Å; T925-Q928 PolarHBondContact OG1-N 2.88Å; T925-Q928 PolarHBondContact OG1-OE1 3.31Å; T925-V929 WeakPolarHBondContact O-CG2 3.24Å; T925-V929 PolarHBondContact O-N 2.98Å | ||
| 926 | H | 91.6 | Very high | 90.4 | Very high | 50 Ų | 50 | 60 Ų | 60 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -50.8 | -44.4 | 176.8 | -172.7 | 78.5 | 0 | 0 | 0 | 111.8 | G881 D884 H885 V929 V930 | G881-H926 WeakPolarHBondContact O-CB 3.38Å; G881-H926 PolarHBondContact O-ND1 2.8Å; D884-H926 PolarHBondContact OD1-N 3.42Å; D884-H926 PolarHBondContact OD2-N 2.71Å; H885-H926 AromaticContact NE2-CG 3.8Å; H926-V929 PolarHBondContact O-N 2.79Å; H926-V930 WeakPolarHBondContact O-CG2 3.37Å; H926-V930 PolarHBondContact O-N 3.16Å |
| 927 | L | 92.6 | Very high | 89.7 | Confident | 107 Ų | 107 | 61.7 Ų | 61.7 | 56% | 0.56 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 178.2 | -176.8 | 59.9 | 0 | 0 | 0 | 112.9 | T925 N931 | T925-L927 PolarHBondContact O-N 3.5Å; L927-N931 WeakPolarHBondContact O-CB 3.41Å; L927-N931 PolarHBondContact O-N 3.18Å; L927-N931 PolarHBondContact O-ND2 2.85Å |
| 928 | Q | 93.6 | Very high | 88.9 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.9 | -77 | 163.8 | -43.7 | 0 | 0 | 111.4 | Q924 T925 N931 M932 | Q924-Q928 HydrophobicContact CB-CB 4.22Å; T925-Q928 WeakPolarHBondContact O-CB 3.41Å; T925-Q928 PolarHBondContact O-N 2.87Å; T925-Q928 WeakPolarHBondContact OG1-CB 3.35Å; T925-Q928 VanDerWaalsContact OG1-CD 3.25Å; T925-Q928 VanDerWaalsContact OG1-CG 3.26Å; T925-Q928 WeakPolarHBondContact OG1-CG 3.3Å; T925-Q928 PolarHBondContact OG1-N 2.88Å; T925-Q928 PolarHBondContact OG1-OE1 3.31Å; Q928-N931 PolarHBondContact O-N 2.79Å; Q928-M932 WeakPolarHBondContact O-CG 3.1Å; Q928-M932 PolarHBondContact O-N 3.27Å |
| 929 | V | 94.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -43.2 | 179.2 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | I879 I889 I916 V921 Q924 T925 H926 N931 M932 I933 | I879-V929 HydrophobicContact CD1-CB 4.03Å; I879-V929 HydrophobicContact CD1-CG1 3.48Å; I879-V929 VanDerWaalsContact CD1-CG1 3.48Å; I889-V929 HydrophobicContact CD1-CB 4.18Å; I889-V929 HydrophobicContact CD1-CG1 4.21Å; I889-V929 HydrophobicContact CD1-CG2 3.72Å; I889-V929 HydrophobicContact CG1-CG1 4.28Å; I889-V929 HydrophobicContact CG1-CG2 4.03Å; I889-V929 HydrophobicContact CG2-CG1 4.05Å; I916-V929 HydrophobicContact CD1-CG1 3.56Å; V921-V929 HydrophobicContact CB-CG2 4.04Å; V921-V929 HydrophobicContact CG1-CG2 4.33Å; Q924-V929 HydrophobicContact CB-CG2 3.51Å; Q924-V929 HydrophobicContact CG-CG2 4.43Å; T925-V929 WeakPolarHBondContact O-CG2 3.24Å; T925-V929 PolarHBondContact O-N 2.98Å; H926-V929 PolarHBondContact O-N 2.79Å; V929-N931 VanDerWaalsContact C-N 3.29Å; V929-N931 PolarHBondContact O-N 2.97Å; V929-M932 HydrophobicContact CB-CE 4.49Å; V929-M932 HydrophobicContact CG2-CE 4.09Å; V929-M932 PolarHBondContact O-N 3.44Å; V929-I933 HydrophobicContact CG1-CD1 4.4Å; V929-I933 WeakPolarHBondContact O-CG1 3.29Å; V929-I933 PolarHBondContact O-N 2.85Å |
| 930 | V | 92.9 | Very high | 86.3 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58 | -41.7 | 172.2 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | I879 H926 I933 R934 | I879-V930 HydrophobicContact CD1-CG2 4.02Å; I879-V930 HydrophobicContact CG1-CG2 4.33Å; H926-V930 WeakPolarHBondContact O-CG2 3.37Å; H926-V930 PolarHBondContact O-N 3.16Å; V930-I933 PolarHBondContact O-N 3.04Å; V930-R934 WeakPolarHBondContact O-CG 3.46Å; V930-R934 PolarHBondContact O-N 3.15Å |
| 931 | N | 91.6 | Very high | 84.5 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 178.3 | -71.4 | -15.7 | 0 | 0 | 0 | 112.6 | L927 Q928 V929 I933 R934 A935 | L927-N931 WeakPolarHBondContact O-CB 3.41Å; L927-N931 PolarHBondContact O-N 3.18Å; L927-N931 PolarHBondContact O-ND2 2.85Å; Q928-N931 PolarHBondContact O-N 2.79Å; V929-N931 VanDerWaalsContact C-N 3.29Å; V929-N931 PolarHBondContact O-N 2.97Å; N931-I933 VanDerWaalsContact C-N 3.35Å; N931-R934 PolarHBondContact O-N 2.67Å; N931-A935 WeakPolarHBondContact O-CB 3.46Å; N931-A935 PolarHBondContact O-N 3.15Å |
| 932 | M | 91.8 | Very high | 83.2 | Confident | 33 Ų | 33 | 75 Ų | 75 | 16% | 0.163 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 172.5 | -72.5 | -171.3 | -66.5 | 0 | 0 | 112.6 | I916 K919 V921 Q924 Q928 V929 A936 | I916-M932 HydrophobicContact CG2-CB 4.22Å; K919-M932 HydrophobicContact CB-SD 4.27Å; K919-M932 HydrophobicContact CD-SD 3.94Å; V921-M932 HydrophobicContact CG1-CE 3.82Å; Q924-M932 HydrophobicContact CB-CE 4.41Å; Q924-M932 HydrophobicContact CG-CE 3.93Å; Q928-M932 WeakPolarHBondContact O-CG 3.1Å; Q928-M932 PolarHBondContact O-N 3.27Å; V929-M932 HydrophobicContact CB-CE 4.49Å; V929-M932 HydrophobicContact CG2-CE 4.09Å; V929-M932 PolarHBondContact O-N 3.44Å; M932-A936 PolarHBondContact O-N 3.3Å |
| 933 | I | 91.8 | Very high | 82.9 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 174.4 | -65.1 | 167.6 | 0 | 0 | 0 | 110.8 | F875 F877 I879 I916 V929 V930 N931 A936 L944 | F875-I933 HydrophobicContact CD2-CG2 3.89Å; F875-I933 HydrophobicContact CE2-CG2 4.39Å; F875-I933 WeakPolarHBondContact CE2-O 3.33Å; F877-I933 HydrophobicContact CE2-CD1 4.18Å; F877-I933 HydrophobicContact CZ-CD1 3.99Å; I879-I933 HydrophobicContact CD1-CD1 3.97Å; I879-I933 HydrophobicContact CG2-CD1 4.32Å; I916-I933 HydrophobicContact CD1-CD1 4.03Å; I916-I933 HydrophobicContact CD1-CG1 3.71Å; V929-I933 HydrophobicContact CG1-CD1 4.4Å; V929-I933 WeakPolarHBondContact O-CG1 3.29Å; V929-I933 PolarHBondContact O-N 2.85Å; V930-I933 PolarHBondContact O-N 3.04Å; N931-I933 VanDerWaalsContact C-N 3.35Å; I933-A936 WeakPolarHBondContact O-CB 3.35Å; I933-A936 PolarHBondContact O-N 3.05Å; I933-L944 HydrophobicContact CG1-CD1 4.41Å; I933-L944 HydrophobicContact CG2-CD2 4.2Å |
| 934 | R | 88.1 | Confident | 83.1 | Confident | 138 Ų | 138 | 67.5 Ų | 67.5 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 177.2 | -69.7 | 174.9 | -173.7 | 164.9 | 1.1 | 112.8 | V930 N931 A936 S937 E938 | V930-R934 WeakPolarHBondContact O-CG 3.46Å; V930-R934 PolarHBondContact O-N 3.15Å; N931-R934 PolarHBondContact O-N 2.67Å; R934-A936 PolarHBondContact O-N 3.26Å; R934-A936 VanDerWaalsContact O-N 3.15Å; R934-S937 PolarHBondContact O-N 3.48Å; R934-S937 PolarHBondContact O-OG 3.39Å; R934-E938 PolarHBondContact O-N 3.28Å |
| 935 | A | 86.9 | Confident | 83.1 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -26.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N931 S937 E938 | N931-A935 WeakPolarHBondContact O-CB 3.46Å; N931-A935 PolarHBondContact O-N 3.15Å; A935-S937 VanDerWaalsContact C-N 3.34Å; A935-E938 PolarHBondContact O-N 3.04Å |
| 936 | A | 86 | Confident | 83.1 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.1 | -22.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F875 M932 I933 R934 G942 L944 | F875-A936 HydrophobicContact CE2-CB 4.18Å; F875-A936 HydrophobicContact CZ-CB 4Å; M932-A936 PolarHBondContact O-N 3.3Å; I933-A936 WeakPolarHBondContact O-CB 3.35Å; I933-A936 PolarHBondContact O-N 3.05Å; R934-A936 PolarHBondContact O-N 3.26Å; R934-A936 VanDerWaalsContact O-N 3.15Å; A936-G942 CarbonylContact O-C 3.59Å; A936-G942 VanDerWaalsContact O-CA 3.23Å; A936-G942 WeakPolarHBondContact O-CA 3.08Å; A936-L944 HydrophobicContact CB-CB 4.2Å; A936-L944 HydrophobicContact CB-CD1 3.7Å |
| 937 | S | 79.3 | Confident | 83.1 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 26% | 0.259 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -87.9 | -16.3 | 173.8 | 44.7 | 0 | 0 | 0 | 0 | 114.3 | G873 R934 A935 | G873-S937 WeakPolarHBondContact O-CB 3.33Å; G873-S937 PolarHBondContact O-OG 2.77Å; R934-S937 PolarHBondContact O-N 3.48Å; R934-S937 PolarHBondContact O-OG 3.39Å; A935-S937 VanDerWaalsContact C-N 3.34Å |
| 938 | E | 73 | Confident | 83 | Confident | 151 Ų | 151 | 60.5 Ų | 60.5 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -88.1 | -11.7 | -177.2 | -69.2 | 169.1 | -176.7 | 0 | 0 | 113.3 | R934 A935 | R934-E938 PolarHBondContact O-N 3.28Å; A935-E938 PolarHBondContact O-N 3.04Å |
| 939 | Q | 68.6 | Low | 82.7 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -79.3 | 139.5 | 176.4 | -67.1 | 178.8 | 0.8 | 0 | 0 | 111 | Y941 G942 | Q939-Y941 PolarHBondContact O-N 3.06Å; Q939-G942 WeakPolarHBondContact O-CA 3.39Å; Q939-G942 PolarHBondContact O-N 3.33Å |
| 940 | N | 49.7 | Very low | 82 | Confident | 155 Ų | 155 | 64 Ų | 64 | 83% | 0.829 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 124.2 | 167.2 | -74.5 | -31.9 | 0 | 0 | 0 | 109 | G942 | N940-G942 PolarHBondContact O-N 3.27Š|
| 941 | Y | 53.5 | Low | 80.5 | Confident | 226 Ų | 226 | 66 Ų | 66 | 89% | 0.886 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 19.2 | -167.7 | -43.8 | -75.2 | 0 | 0 | 0 | 115.3 | Q939 T943 | Q939-Y941 PolarHBondContact O-N 3.06Å; Y941-T943 PolarHBondContact O-N 3.08Å; Y941-T943 PolarHBondContact O-OG1 2.88Å; Y941-T943 VanDerWaalsContact O-OG1 3.09Å |
| 942 | G | 64.4 | Low | 78.4 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 9% | 0.093 | 35% | 0.348 | C | S | . | . | trans | -48.8 | 120.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | P869 A936 Q939 N940 | P869-G942 WeakPolarHBondContact CD-O 3.38Å; A936-G942 CarbonylContact O-C 3.59Å; A936-G942 VanDerWaalsContact O-CA 3.23Å; A936-G942 WeakPolarHBondContact O-CA 3.08Å; Q939-G942 WeakPolarHBondContact O-CA 3.39Å; Q939-G942 PolarHBondContact O-N 3.33Å; N940-G942 PolarHBondContact O-N 3.27Å | ||
| 943 | T | 80.6 | Confident | 75.6 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 23% | 0.233 | 38% | 0.377 | C | S | . | . | trans | -128.2 | 134.7 | 178.6 | -53.2 | 0 | 0 | 0 | 0 | 107.4 | S866 I867 R868 N917 Y941 | S866-T943 VanDerWaalsContact OG-CG2 3.23Å; S866-T943 WeakPolarHBondContact OG-CG2 3.43Å; I867-T943 WeakPolarHBondContact O-CG2 3.46Å; R868-T943 HydrophobicContact CG-CG2 4.15Å; N917-T943 PolarHBondContact ND2-O 3.47Å; Y941-T943 PolarHBondContact O-N 3.08Å; Y941-T943 PolarHBondContact O-OG1 2.88Å; Y941-T943 VanDerWaalsContact O-OG1 3.09Å | ||
| 944 | L | 91.2 | Very high | 72.6 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 108.8 | -179.5 | -179.6 | 72.7 | 0 | 0 | 0 | 109 | S866 I867 F875 F877 I916 N917 I933 A936 L946 | S866-L944 WeakPolarHBondContact CA-O 3.2Å; I867-L944 HydrophobicContact CB-CB 4.45Å; I867-L944 PolarHBondContact N-O 2.91Å; I867-L944 PolarHBondContact O-N 3.19Å; F875-L944 HydrophobicContact CB-CD2 4.18Å; F875-L944 HydrophobicContact CD1-CB 3.78Å; F875-L944 HydrophobicContact CD1-CD2 3.98Å; F875-L944 HydrophobicContact CD2-CD2 3.93Å; F875-L944 HydrophobicContact CE1-CB 3.43Å; F875-L944 VanDerWaalsContact CE1-CB 3.43Å; F875-L944 HydrophobicContact CE1-CD2 4.37Å; F875-L944 HydrophobicContact CE2-CB 4.25Å; F875-L944 HydrophobicContact CE2-CD2 4.32Å; F875-L944 HydrophobicContact CG-CB 4.32Å; F875-L944 HydrophobicContact CG-CD2 3.75Å; F875-L944 HydrophobicContact CZ-CB 3.7Å; F877-L944 HydrophobicContact CE1-CD2 3.61Å; F877-L944 HydrophobicContact CZ-CD2 3.8Å; I916-L944 HydrophobicContact CG2-CD1 3.66Å; N917-L944 WeakPolarHBondContact OD1-CA 3.43Å; I933-L944 HydrophobicContact CG1-CD1 4.41Å; I933-L944 HydrophobicContact CG2-CD2 4.2Å; A936-L944 HydrophobicContact CB-CB 4.2Å; A936-L944 HydrophobicContact CB-CD1 3.7Å; L944-L946 HydrophobicContact CD1-CD2 4.12Å; L944-L946 HydrophobicContact CD2-CD2 4.07Å; L944-L946 HydrophobicContact CD2-CG 4.4Å; L944-L946 HydrophobicContact CG-CD2 3.87Å; L944-L946 HydrophobicContact CG-CG 4.24Å |
| 945 | E | 90.5 | Very high | 69.7 | Low | 56 Ų | 56 | 78 Ų | 78 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.7 | 170.1 | -71.4 | -158.5 | -168.2 | 0 | 0 | 110.7 | R864 I865 I916 N917 H918 | R864-E945 WeakPolarHBondContact CD-OE2 3.36Å; R864-E945 IonicContact CZ-OE2 3.75Å; R864-E945 IonicContact NE-OE2 2.81Å; R864-E945 IonicContact NH1-OE2 3.59Å; R864-E945 PolarHBondContact NH1-OE2 3.04Å; I865-E945 WeakPolarHBondContact O-CA 3.42Å; I916-E945 CarbonylContact C-O 3.46Å; I916-E945 WeakPolarHBondContact CA-O 3.26Å; N917-E945 PolarHBondContact N-O 2.78Å; N917-E945 PolarHBondContact OD1-N 3.39Å; N917-E945 PolarHBondContact OD1-O 2.81Å; H918-E945 IonicContact CE1-OE2 3.26Å; H918-E945 PolarHBondContact CE1-OE2 3.23Å; H918-E945 VanDerWaalsContact CE1-OE2 3.32Å |
| 946 | L | 93.1 | Very high | 66.9 | Low | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139 | 174.6 | -53 | 177.9 | 0 | 0 | 0 | 109.2 | R864 I865 I867 F877 L907 I913 F915 I916 L944 V948 | R864-L946 CarbonylContact C-O 3.57Å; R864-L946 WeakPolarHBondContact CA-O 3.23Å; I865-L946 HydrophobicContact CB-CB 4.41Å; I865-L946 PolarHBondContact N-O 2.87Å; I865-L946 PolarHBondContact O-N 2.69Å; I867-L946 HydrophobicContact CD1-CD1 3.99Å; F877-L946 HydrophobicContact CE1-CD1 4.47Å; F877-L946 HydrophobicContact CE2-CD1 4.5Å; F877-L946 HydrophobicContact CZ-CD1 4Å; L907-L946 HydrophobicContact CD1-CD1 3.96Å; L907-L946 HydrophobicContact CD2-CD1 4.04Å; I913-L946 HydrophobicContact CD1-CD1 4.39Å; I913-L946 HydrophobicContact CD1-CD2 4.49Å; I913-L946 HydrophobicContact CG2-CD2 4.26Å; F915-L946 WeakPolarHBondContact O-CA 3.28Å; I916-L946 HydrophobicContact CB-CD2 4.48Å; I916-L946 HydrophobicContact CD1-CD2 4.26Å; I916-L946 HydrophobicContact CG1-CD2 3.76Å; I916-L946 HydrophobicContact CG2-CD2 4.49Å; L944-L946 HydrophobicContact CD1-CD2 4.12Å; L944-L946 HydrophobicContact CD2-CD2 4.07Å; L944-L946 HydrophobicContact CD2-CG 4.4Å; L944-L946 HydrophobicContact CG-CD2 3.87Å; L944-L946 HydrophobicContact CG-CG 4.24Å; L946-V948 HydrophobicContact CB-CG1 3.95Å |
| 947 | L | 91.5 | Very high | 64.3 | Low | 43 Ų | 43 | 90 Ų | 90 | 23% | 0.225 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121 | 156.4 | -168.6 | 71.9 | 0 | 0 | 0 | 107.5 | L862 R864 L914 F915 | L862-L947 HydrophobicContact CB-CD1 4.3Å; L862-L947 HydrophobicContact CD1-CD2 3.96Å; L862-L947 HydrophobicContact CD1-CG 4.48Å; R864-L947 HydrophobicContact CB-CD1 4.24Å; L914-L947 PolarHBondContact N-O 3.02Å; F915-L947 HydrophobicContact CB-CB 3.87Å; F915-L947 HydrophobicContact CD2-CB 4.01Å; F915-L947 HydrophobicContact CD2-CD2 3.64Å; F915-L947 HydrophobicContact CD2-CG 4.42Å; F915-L947 HydrophobicContact CE2-CD2 4Å; F915-L947 HydrophobicContact CG-CB 4.32Å; F915-L947 PolarHBondContact N-O 3.43Å; F915-L947 PolarHBondContact O-N 2.82Å |
| 948 | V | 90.8 | Very high | 61.8 | Low | 1 Ų | 1 | 94.2 Ų | 94.2 | 1% | 0.006 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 152.3 | -177.6 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | V863 I865 L907 D911 Q912 I913 L946 | V863-V948 HydrophobicContact CB-CG2 4Å; V863-V948 PolarHBondContact N-O 3.22Å; V863-V948 PolarHBondContact O-N 3.19Å; I865-V948 HydrophobicContact CD1-CG1 4.41Å; I865-V948 HydrophobicContact CD1-CG2 3.69Å; I865-V948 HydrophobicContact CG1-CG2 4.27Å; L907-V948 HydrophobicContact CD1-CG1 3.95Å; D911-V948 HydrophobicContact CB-CB 4.47Å; Q912-V948 CarbonylContact O-C 3.56Å; Q912-V948 WeakPolarHBondContact O-CA 3.45Å; I913-V948 HydrophobicContact CG1-CG1 4.19Å; L946-V948 HydrophobicContact CB-CG1 3.95Å |
| 949 | K | 86.1 | Confident | 59.7 | Low | 112 Ų | 112 | 94.8 Ų | 94.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 113.6 | 163.6 | -178.4 | -177.2 | 176.6 | -173.8 | 0 | 107.5 | L862 Q912 L914 | L862-K949 HydrophobicContact CD2-CB 3.74Å; L862-K949 HydrophobicContact CD2-CG 4.12Å; Q912-K949 HydrophobicContact CB-CB 4.34Å; Q912-K949 PolarHBondContact N-O 3.01Å; Q912-K949 PolarHBondContact O-N 2.93Å; L914-K949 HydrophobicContact CD1-CB 4.29Å |
| 950 | P | 80.2 | Confident | 57.7 | Low | 49 Ų | 49 | 95.6 Ų | 95.6 | 32% | 0.318 | 50% | 0.498 | S | S | . | . | trans | -61.8 | 147.1 | -179.3 | -23.9 | 35.2 | 0 | 0 | 0 | 112.9 | G861 V863 D911 D952 | G861-P950 WeakPolarHBondContact O-CD 3.31Å; V863-P950 HydrophobicContact CB-CG 4.29Å; V863-P950 HydrophobicContact CG2-CG 3.53Å; D911-P950 WeakPolarHBondContact OD1-CA 3.44Å; P950-D952 PolarHBondContact O-N 3.32Å | ||
| 951 | S | 62.7 | Low | 56.8 | Low | 73 Ų | 73 | 95.5 Ų | 95.5 | 51% | 0.51 | 50% | 0.498 | S | S | . | . | trans | -88.8 | 83.8 | 177.3 | -161.3 | 0 | 0 | 0 | 0 | 112 | G910 D911 Y953 | G910-S951 WeakPolarHBondContact O-CB 3.29Å; D911-S951 PolarHBondContact OD1-N 3.18Å; D911-S951 VanDerWaalsContact OD1-N 3.15Å; S951-Y953 PolarHBondContact O-N 2.85Å | ||
| 952 | D | 46.8 | Very low | 55.7 | Low | 141 Ų | 141 | 91.4 Ų | 91.4 | 75% | 0.754 | 49% | 0.491 | S | S | * | . | trans | -68.2 | 95.1 | 174.1 | -100.6 | -36.8 | 0 | 0 | 0 | 111.4 | P950 | P950-D952 PolarHBondContact O-N 3.32Š| ||
| 953 | Y | 33.4 | Very low | 54.1 | Low | 195 Ų | 195 | 96.5 Ų | 96.5 | 77% | 0.765 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 33.6 | 90.7 | 158.3 | -57.4 | -93.4 | 0 | 0 | 0 | 118.1 | S951 | S951-Y953 PolarHBondContact O-N 2.85Š|
| 954 | V | 28.1 | Very low | 51.8 | Low | 81 Ų | 81 | 100.2 Ų | 100.2 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | trans | 175 | 140.7 | 142.5 | 141.1 | 0 | 0 | 0 | 0 | 111.8 | I1073 | V954-I1073 HydrophobicContact CG2-CB 3.71Å; V954-I1073 HydrophobicContact CG2-CG2 3.64Å | ||
| 955 | T | 27.9 | Very low | 48.9 | Very low | 105 Ų | 105 | 105.9 Ų | 105.9 | 64% | 0.644 | 58% | 0.577 | S | S | * | * | trans | 58.4 | 146.7 | 168.4 | 55.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 956 | D | 27.9 | Very low | 46.3 | Very low | 135 Ų | 135 | 107.3 Ų | 107.3 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | cis | -153.8 | 151.1 | -13.6 | -97.1 | -25.2 | 0 | 0 | 0 | 107.6 | ||||
| 957 | D | 31.4 | Very low | 43.5 | Very low | 161 Ų | 161 | 110.4 Ų | 110.4 | 86% | 0.861 | 61% | 0.608 | S | S | * | * | -178.9 | 156.1 | 109.3 | -115.8 | -39.9 | 0 | 0 | 0 | 113.1 | |||||
| 958 | V | 27.2 | Very low | 40.6 | Very low | 125 Ų | 125 | 111 Ų | 111 | 76% | 0.758 | 63% | 0.625 | S | S | * | * | trans | -86.2 | 127.1 | -170.8 | -176 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 959 | N | 28.4 | Very low | 38 | Very low | 162 Ų | 162 | 113.4 Ų | 113.4 | 87% | 0.866 | 64% | 0.637 | S | S | * | * | trans | -168.1 | 154.2 | 147.9 | -96.6 | -52.7 | 0 | 0 | 0 | 111.2 | ||||
| 960 | D | 26.8 | Very low | 35.5 | Very low | 138 Ų | 138 | 109 Ų | 109 | 74% | 0.738 | 62% | 0.622 | S | S | * | * | trans | -82.4 | 172.3 | -170.8 | -85.6 | -56.2 | 0 | 0 | 0 | 115.8 | N962 | D960-N962 PolarHBondContact O-N 2.81Š| ||
| 961 | D | 30.1 | Very low | 33.2 | Very low | 154 Ų | 154 | 109 Ų | 109 | 82% | 0.824 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 62.2 | 40.3 | 154.9 | -69.6 | -27.4 | 0 | 0 | 0 | 119.7 | ||
| 962 | N | 31.4 | Very low | 31.6 | Very low | 139 Ų | 139 | 110.6 Ų | 110.6 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | trans | -135 | 138.7 | 162.4 | -82 | -82.6 | 0 | 0 | 0 | 114.5 | D960 I964 | D960-N962 PolarHBondContact O-N 2.81Å; N962-I964 PolarHBondContact O-N 3.49Å | ||
| 963 | P | 31 | Very low | 31 | Very low | 117 Ų | 117 | 108.2 Ų | 108.2 | 76% | 0.76 | 62% | 0.621 | S | S | * | * | trans | -75.4 | 111 | 175.4 | 30.4 | -32.8 | 0 | 0 | 0 | 111.1 | ||||
| 964 | I | 32.2 | Very low | 30.8 | Very low | 116 Ų | 116 | 102 Ų | 102 | 60% | 0.595 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 138.2 | -177.2 | -57.1 | 177.4 | 0 | 0 | 0 | 110.8 | N962 | N962-I964 PolarHBondContact O-N 3.49Š|
| 965 | P | 30.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 100.6 Ų | 100.6 | 77% | 0.773 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 152.8 | 179.2 | -27.2 | 35.9 | 0 | 0 | 0 | 115.3 | ||
| 966 | D | 34 | Very low | 31.1 | Very low | 86 Ų | 86 | 105 Ų | 105 | 46% | 0.46 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -68 | 140 | -178.6 | -156.8 | -22.5 | 0 | 0 | 0 | 112.1 | G968 | D966-G968 PolarHBondContact O-N 2.64Å; D966-G968 VanDerWaalsContact O-N 3.1Å |
| 967 | S | 34.5 | Very low | 31.5 | Very low | 67 Ų | 67 | 102.5 Ų | 102.5 | 47% | 0.469 | 60% | 0.595 | S | S | . | * | trans | -83.9 | 23.3 | -168.8 | 50 | 0 | 0 | 0 | 0 | 115.2 | D969 | S967-D969 PolarHBondContact O-N 3.29Š| ||
| 968 | G | 30.9 | Very low | 31.4 | Very low | 56 Ų | 56 | 104.8 Ų | 104.8 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 72.3 | -24 | 167 | 0 | 0 | 0 | 0 | 0 | 117.8 | D966 | D966-G968 PolarHBondContact O-N 2.64Å; D966-G968 VanDerWaalsContact O-N 3.1Å |
| 969 | D | 36.3 | Very low | 31.4 | Very low | 50 Ų | 50 | 108.1 Ų | 108.1 | 27% | 0.267 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -102.3 | 7.1 | 178.7 | -93.4 | 10.3 | 0 | 0 | 0 | 112.9 | S967 Y1077 K1155 H1240 | S967-D969 PolarHBondContact O-N 3.29Å; D969-Y1077 HydrophobicContact CB-CE1 4.32Å; D969-K1155 IonicContact OD2-NZ 3.7Å; D969-H1240 PolarHBondContact O-CE1 2.88Å |
| 970 | A | 33.5 | Very low | 31.4 | Very low | 20 Ų | 20 | 106 Ų | 106 | 17% | 0.165 | 60% | 0.598 | C | S | . | * | S | Bend | trans | -116.6 | 140.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 971 | P | 31.5 | Very low | 31.5 | Very low | 50 Ų | 50 | 104.7 Ų | 104.7 | 33% | 0.325 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -77.2 | 132.7 | 172.3 | 29.1 | -31.2 | 0 | 0 | 0 | 110.2 | R1056 | P971-R1056 PolarHBondContact O-NH1 2.96Š|
| 972 | P | 29.2 | Very low | 31.4 | Very low | 105 Ų | 105 | 105.8 Ų | 105.8 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 149.6 | -161.4 | 20.2 | -33.1 | 0 | 0 | 0 | 113.9 | ||
| 973 | V | 34.6 | Very low | 31.2 | Very low | 91 Ų | 91 | 110.5 Ų | 110.5 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 126.7 | -178.7 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | P975 | V973-P975 WeakPolarHBondContact O-CD 3.06Š|
| 974 | P | 29.8 | Very low | 31 | Very low | 65 Ų | 65 | 116 Ų | 116 | 42% | 0.422 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 116 | 167.5 | -18.7 | 32 | 0 | 0 | 0 | 110.1 | S380 | S380-P974 VanDerWaalsContact OG-CA 3.31Å; S380-P974 WeakPolarHBondContact OG-CA 3.29Å; S380-P974 WeakPolarHBondContact OG-CB 3.36Å |
| 975 | P | 29.9 | Very low | 30.8 | Very low | 52 Ų | 52 | 116.7 Ų | 116.7 | 34% | 0.338 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 169.6 | -178.2 | 23.3 | -35.9 | 0 | 0 | 0 | 115.3 | S380 S382 V973 | S380-P975 VanDerWaalsContact C-CD 3.47Å; S380-P975 WeakPolarHBondContact CB-O 3.33Å; S380-P975 WeakPolarHBondContact O-CD 3.47Å; S380-P975 VanDerWaalsContact OG-N 3.13Å; S380-P975 PolarHBondContact OG-O 2.78Å; S382-P975 WeakPolarHBondContact O-CB 3.25Å; V973-P975 WeakPolarHBondContact O-CD 3.06Å |
| 976 | R | 31.6 | Very low | 30.7 | Very low | 196 Ų | 196 | 115.9 Ų | 115.9 | 74% | 0.74 | 63% | 0.625 | S | S | * | * | trans | -111.8 | 107.7 | -173.8 | -69.2 | 175.7 | 168.2 | -173.8 | -5.3 | 111.3 | S382 | S382-R976 CarbonylContact O-C 3.52Š| ||
| 977 | S | 36 | Very low | 30.5 | Very low | 83 Ų | 83 | 119.7 Ų | 119.7 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 142.9 | 162.1 | 50.6 | 0 | 0 | 0 | 0 | 111 | ||
| 978 | Y | 29.2 | Very low | 30.3 | Very low | 210 Ų | 210 | 121.4 Ų | 121.4 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 173.3 | -168.3 | -102.8 | -110.3 | 0 | 0 | 0 | 114.1 | S980 | Y978-S980 PolarHBondContact O-N 3.43Š|
| 979 | H | 28.2 | Very low | 30.2 | Very low | 194 Ų | 194 | 127.3 Ų | 127.3 | 90% | 0.898 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 126.8 | 171.8 | -97.4 | -121.6 | 0 | 0 | 0 | 113.5 | ||
| 980 | S | 28.6 | Very low | 29.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | -151.5 | 141.8 | 138.8 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | Y978 | Y978-S980 PolarHBondContact O-N 3.43Š| ||
| 981 | S | 28.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -83.5 | 139.8 | -174.8 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 982 | I | 28.1 | Very low | 29.6 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | trans | -156 | 160.1 | 148.7 | -103.5 | 145.6 | 0 | 0 | 0 | 109.6 | ||||
| 983 | R | 28 | Very low | 29.6 | Very low | 237 Ų | 237 | 149.2 Ų | 149.2 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -81.1 | 150.6 | -158.3 | -60.6 | 175.7 | 178.3 | 176.2 | -1.8 | 114.3 | ||||
| 984 | R | 25.6 | Very low | 29.3 | Very low | 234 Ų | 234 | 156 Ų | 156 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 152.4 | 157.7 | -66.4 | -175.7 | -180 | -175.1 | 0.1 | 110 | ||||
| 985 | P | 29.4 | Very low | 29.4 | Very low | 129 Ų | 129 | 160.7 Ų | 160.7 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | -108.9 | 160.4 | 109.3 | -16.1 | 32.6 | 0 | 0 | 0 | 113.6 | |||||
| 986 | S | 27.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 163.8 Ų | 163.8 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | trans | -97 | 147.3 | 170.2 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 987 | L | 30.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 162.7 Ų | 162.7 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -159.8 | 135 | 145 | -109.2 | 165.8 | 0 | 0 | 0 | 112.1 | ||||
| 988 | S | 30.5 | Very low | 29.4 | Very low | 103 Ų | 103 | 170 Ų | 170 | 72% | 0.72 | 85% | 0.845 | S | S | * | * | trans | 5.6 | 116.9 | 167 | 55.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 989 | L | 27.5 | Very low | 29.6 | Very low | 180 Ų | 180 | 167.6 Ų | 167.6 | 94% | 0.942 | 85% | 0.846 | S | S | * | * | trans | -94.9 | 87.4 | 161.1 | -179.1 | 70.3 | 0 | 0 | 0 | 110.3 | ||||
| 990 | E | 28.1 | Very low | 29.9 | Very low | 173 Ų | 173 | 165.3 Ų | 165.3 | 81% | 0.808 | 85% | 0.845 | S | S | * | * | trans | -136.7 | 150.7 | 167.2 | -78.2 | -150.1 | 143.6 | 0 | 0 | 111.6 | ||||
| 991 | K | 30.3 | Very low | 29.9 | Very low | 191 Ų | 191 | 169.9 Ų | 169.9 | 83% | 0.83 | 85% | 0.845 | S | S | * | * | trans | 79 | 90.2 | -174.1 | -53 | 165.5 | -177.5 | 170.3 | 0 | 115.3 | ||||
| 992 | F | 30.6 | Very low | 30.1 | Very low | 222 Ų | 222 | 175.2 Ų | 175.2 | 97% | 0.974 | 85% | 0.854 | S | S | * | * | -173.4 | 55.9 | 129.2 | -98.5 | -62.5 | 0 | 0 | 0 | 110.9 | |||||
| 993 | A | 29.2 | Very low | 30.3 | Very low | 100 Ų | 100 | 170.2 Ų | 170.2 | 83% | 0.826 | 84% | 0.835 | S | S | * | * | trans | -140 | 37.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 994 | R | 28.4 | Very low | 30.5 | Very low | 233 Ų | 233 | 167.2 Ų | 167.2 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | trans | -144.4 | 104.4 | 174.6 | -66.7 | -175.8 | -175.8 | 158.4 | 4.7 | 110.4 | ||||
| 995 | N | 31.6 | Very low | 30.7 | Very low | 163 Ų | 163 | 164.5 Ų | 164.5 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | 161.2 | 74.3 | 144.8 | -83.4 | -12.9 | 0 | 0 | 0 | 112.9 | ||||
| 996 | S | 33.4 | Very low | 30.7 | Very low | 117 Ų | 117 | 162.7 Ų | 162.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 174.5 | 92.9 | 141 | -85.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 997 | K | 33.5 | Very low | 30.9 | Very low | 173 Ų | 173 | 162.7 Ų | 162.7 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | 173.5 | 94.2 | 139 | -97.7 | 176.6 | -175.4 | -171.9 | 0 | 108.8 | ||||
| 998 | R | 30.4 | Very low | 31 | Very low | 236 Ų | 236 | 159.5 Ų | 159.5 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -113.7 | 142.7 | 168.7 | -173.3 | -179.7 | -176.1 | -177.5 | 1.8 | 106.3 | ||||
| 999 | L | 33.5 | Very low | 31.1 | Very low | 161 Ų | 161 | 161 Ų | 161 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | 73.3 | 134.2 | -167.2 | -45.6 | 169.2 | 0 | 0 | 0 | 112.3 | ||||
| 1000 | T | 34.5 | Very low | 31.5 | Very low | 145 Ų | 145 | 159.7 Ų | 159.7 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | cis | -109.2 | 164.9 | -6.2 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1001 | R | 29.5 | Very low | 32 | Very low | 215 Ų | 215 | 156.6 Ų | 156.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -137 | 126.9 | -172 | 171.4 | -155.8 | -71 | 165.2 | -7.2 | 108.5 | ||||
| 1002 | F | 32.4 | Very low | 32.3 | Very low | 222 Ų | 222 | 153.3 Ų | 153.3 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | trans | -124.2 | 141.5 | 144.2 | -97 | -79.8 | 0 | 0 | 0 | 110.2 | ||||
| 1003 | S | 31.2 | Very low | 32.8 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 51% | 0.51 | 79% | 0.792 | S | S | . | * | trans | -100.2 | 152.2 | -159.7 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1004 | L | 32.7 | Very low | 33 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | -154.6 | 147.5 | 107.1 | -98.8 | 164.4 | 0 | 0 | 0 | 111.3 | |||||
| 1005 | K | 29.2 | Very low | 33.6 | Very low | 176 Ų | 176 | 150.8 Ų | 150.8 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -100 | -179.3 | 179.6 | -50.9 | 172.6 | 176.5 | 178.5 | 0 | 108.4 | ||||
| 1006 | S | 30.3 | Very low | 33.9 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | -155.6 | 147.5 | 5.1 | -10.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1007 | S | 31.3 | Very low | 33.9 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | 59.8 | 109.4 | 82.1 | -36.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1008 | S | 32.3 | Very low | 33.7 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | 88 | 146.1 | 86.3 | 75.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1009 | N | 33.5 | Very low | 33.8 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | cis | -158.1 | 164.9 | 15 | -100.5 | -30.2 | 0 | 0 | 0 | 109.4 | ||||
| 1010 | N | 36 | Very low | 33.5 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 177.7 | 138 | 112.9 | -89.6 | -8.6 | 0 | 0 | 0 | 113.6 | |||||
| 1011 | P | 39.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -79.9 | 174.7 | 158.2 | 37.6 | -33.2 | 0 | 0 | 0 | 109.7 | ||||
| 1012 | T | 36.1 | Very low | 33.4 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -158.9 | 153.5 | 42.8 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1013 | D | 40.4 | Very low | 33.2 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | -159.7 | 178.1 | 122.3 | -138.3 | -28.2 | 0 | 0 | 0 | 112.6 | |||||
| 1014 | R | 34.3 | Very low | 33.4 | Very low | 212 Ų | 212 | 148 Ų | 148 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -117.4 | 146.9 | 179.6 | -56.1 | 173.6 | 175.1 | 169 | -1 | 110.8 | ||||
| 1015 | D | 39.5 | Very low | 33.2 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 172.6 | 147.3 | 97.8 | -101.1 | -33.7 | 0 | 0 | 0 | 117.2 | |||||
| 1016 | H | 37.7 | Very low | 33.4 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | trans | 55 | 128 | 144.8 | -76.5 | 66.4 | 0 | 0 | 0 | 125.3 | ||||
| 1017 | N | 34.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | 84.6 | 106.1 | 138.1 | -66.5 | -16 | 0 | 0 | 0 | 123.5 | ||||
| 1018 | N | 30.4 | Very low | 34.9 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | 49.3 | 93.9 | 130.4 | -66.9 | -14.2 | 0 | 0 | 0 | 121 | ||||
| 1019 | S | 32.6 | Very low | 36.6 | Very low | 127 Ų | 127 | 138 Ų | 138 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | -155.8 | 141.3 | 120.5 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | G1021 | S1019-G1021 PolarHBondContact O-N 2.98Š| |||
| 1020 | M | 27 | Very low | 39.2 | Very low | 202 Ų | 202 | 135 Ų | 135 | 100% | 0.995 | 73% | 0.728 | S | S | * | * | trans | -99.3 | 84.5 | -166 | -171.7 | 165.9 | 168.9 | 0 | 0 | 112 | ||||
| 1021 | G | 28.6 | Very low | 41.9 | Very low | 61 Ų | 61 | 128.2 Ų | 128.2 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | trans | -148.6 | 117.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1019 R1023 | S1019-G1021 PolarHBondContact O-N 2.98Å; G1021-R1023 VanDerWaalsContact C-N 3.31Å; G1021-R1023 PolarHBondContact O-N 3.38Å | ||
| 1022 | H | 31.4 | Very low | 44.4 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 87% | 0.866 | 68% | 0.68 | S | S | * | * | trans | -72 | 83.3 | 173.8 | -82 | -46.5 | 0 | 0 | 0 | 111.4 | Y1024 | H1022-Y1024 PolarHBondContact O-N 3.42Š| ||
| 1023 | R | 29.7 | Very low | 47 | Very low | 237 Ų | 237 | 125 Ų | 125 | 89% | 0.894 | 66% | 0.663 | S | S | * | * | trans | -71.9 | 114.3 | 156.3 | -70.2 | -178.7 | 176.4 | 174.2 | -0.8 | 108 | G1021 S1025 | G1021-R1023 VanDerWaalsContact C-N 3.31Å; G1021-R1023 PolarHBondContact O-N 3.38Å; R1023-S1025 PolarHBondContact O-N 3.18Å; R1023-S1025 VanDerWaalsContact O-N 3.12Å | ||
| 1024 | Y | 35.2 | Very low | 49.5 | Very low | 196 Ų | 196 | 117.5 Ų | 117.5 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | trans | -64.9 | 108.7 | 168.3 | -68 | -92.9 | 0 | 0 | 0 | 108.8 | H1022 | H1022-Y1024 PolarHBondContact O-N 3.42Š| ||
| 1025 | S | 28.2 | Very low | 52.5 | Low | 116 Ų | 116 | 107.6 Ų | 107.6 | 81% | 0.811 | 59% | 0.586 | S | S | * | * | trans | -71.2 | 132 | 171.9 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | R1023 S1027 | R1023-S1025 PolarHBondContact O-N 3.18Å; R1023-S1025 VanDerWaalsContact O-N 3.12Å; S1025-S1027 PolarHBondContact O-N 2.88Å | ||
| 1026 | F | 33.4 | Very low | 54.9 | Low | 114 Ų | 114 | 106 Ų | 106 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | trans | -99.3 | 93.7 | -169.6 | -171.6 | -89.4 | 0 | 0 | 0 | 109.5 | K1109 Y1295 | F1026-K1109 VanDerWaalsContact CE1-NZ 3.34Å; F1026-K1109 HydrophobicContact CE2-CD 4.33Å; F1026-K1109 HydrophobicContact CZ-CD 4.18Å; F1026-Y1295 WeakPolarHBondContact CE2-OH 3.29Å; F1026-Y1295 HydrophobicContact CZ-CE2 4.39Å | ||
| 1027 | S | 40.2 | Very low | 57.4 | Low | 103 Ų | 103 | 102.4 Ų | 102.4 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | trans | -68.7 | 136.9 | 165.2 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | S1025 S1029 | S1025-S1027 PolarHBondContact O-N 2.88Å; S1027-S1029 VanDerWaalsContact C-N 3.29Å; S1027-S1029 PolarHBondContact O-N 3.27Å | ||
| 1028 | G | 53.8 | Low | 60.3 | Low | 71 Ų | 71 | 96.5 Ų | 96.5 | 73% | 0.732 | 53% | 0.529 | S | S | * | . | trans | -78.2 | 65.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1029 | S | 66.7 | Low | 63.3 | Low | 27 Ų | 27 | 94 Ų | 94 | 19% | 0.189 | 51% | 0.512 | C | S | . | . | trans | -62.3 | 134.5 | 162.8 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | S1027 P1296 | S1027-S1029 VanDerWaalsContact C-N 3.29Å; S1027-S1029 PolarHBondContact O-N 3.27Å; S1029-P1296 WeakPolarHBondContact O-CG 3.42Å | ||
| 1030 | T | 89.5 | Confident | 66 | Low | 73 Ų | 73 | 90.5 Ų | 90.5 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | trans | -75.6 | 173.3 | 168 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | L1032 D1033 S1034 | T1030-L1032 VanDerWaalsContact C-N 3.3Å; T1030-L1032 PolarHBondContact O-N 2.7Å; T1030-L1032 PolarHBondContact OG1-N 2.83Å; T1030-D1033 VanDerWaalsContact CB-OD2 3.3Å; T1030-D1033 WeakPolarHBondContact CB-OD2 3.43Å; T1030-D1033 WeakPolarHBondContact CG2-OD2 3.49Å; T1030-D1033 PolarHBondContact N-OD2 2.97Å; T1030-D1033 PolarHBondContact O-N 2.8Å; T1030-D1033 PolarHBondContact OG1-N 2.8Å; T1030-D1033 VanDerWaalsContact OG1-N 3.08Å; T1030-D1033 PolarHBondContact OG1-OD2 3.35Å; T1030-S1034 PolarHBondContact O-N 2.73Å; T1030-S1034 VanDerWaalsContact O-N 3.09Å | ||
| 1031 | L | 92.5 | Very high | 68.9 | Low | 9 Ų | 9 | 83.6 Ų | 83.6 | 5% | 0.047 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 167.9 | 172.3 | 58.3 | 0 | 0 | 0 | 111 | D1033 S1034 M1035 M1291 N1294 V1297 F1331 | L1031-D1033 PolarHBondContact O-N 3.01Å; L1031-S1034 PolarHBondContact O-N 2.93Å; L1031-S1034 VanDerWaalsContact O-N 3.08Å; L1031-S1034 PolarHBondContact O-OG 3.34Å; L1031-M1035 HydrophobicContact CD1-CE 4.21Å; L1031-M1035 HydrophobicContact CD1-CG 4.04Å; L1031-M1035 HydrophobicContact CD1-SD 4.44Å; L1031-M1035 HydrophobicContact CG-CG 4.48Å; L1031-M1035 WeakPolarHBondContact O-CG 3.15Å; L1031-M1035 PolarHBondContact O-N 3.48Å; L1031-M1291 HydrophobicContact CD1-CG 3.9Å; L1031-M1291 HydrophobicContact CD2-CB 4.28Å; L1031-M1291 HydrophobicContact CD2-CG 4.24Å; L1031-N1294 WeakPolarHBondContact CB-OD1 3.46Å; L1031-V1297 HydrophobicContact CD1-CG2 4.31Å; L1031-F1331 HydrophobicContact CD2-CD2 4.23Å; L1031-F1331 HydrophobicContact CD2-CE2 3.99Å; L1031-F1331 HydrophobicContact CG-CD2 4.34Å; L1031-F1331 HydrophobicContact CG-CE2 3.97Å |
| 1032 | L | 90.7 | Very high | 71.9 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 179.1 | -179.5 | 62.7 | 0 | 0 | 0 | 111.8 | T1030 S1034 M1035 I1036 F1331 | T1030-L1032 VanDerWaalsContact C-N 3.3Å; T1030-L1032 PolarHBondContact O-N 2.7Å; T1030-L1032 PolarHBondContact OG1-N 2.83Å; L1032-S1034 VanDerWaalsContact C-N 3.3Å; L1032-S1034 PolarHBondContact O-N 3.28Å; L1032-M1035 PolarHBondContact O-N 3.4Å; L1032-M1035 VanDerWaalsContact O-N 3.14Å; L1032-I1036 HydrophobicContact CD1-CD1 4.21Å; L1032-I1036 HydrophobicContact CD1-CG1 4.5Å; L1032-I1036 HydrophobicContact CG-CD1 4Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.41Å; L1032-I1036 PolarHBondContact O-N 2.88Å; L1032-F1331 HydrophobicContact CD1-CE1 4.28Å; L1032-F1331 HydrophobicContact CD1-CZ 3.97Å |
| 1033 | D | 90.1 | Very high | 74.4 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 40% | 0.401 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.4 | -59.2 | -55.1 | 0 | 0 | 0 | 111.4 | T1030 L1031 M1035 I1036 E1037 | T1030-D1033 VanDerWaalsContact CB-OD2 3.3Å; T1030-D1033 WeakPolarHBondContact CB-OD2 3.43Å; T1030-D1033 WeakPolarHBondContact CG2-OD2 3.49Å; T1030-D1033 PolarHBondContact N-OD2 2.97Å; T1030-D1033 PolarHBondContact O-N 2.8Å; T1030-D1033 PolarHBondContact OG1-N 2.8Å; T1030-D1033 VanDerWaalsContact OG1-N 3.08Å; T1030-D1033 PolarHBondContact OG1-OD2 3.35Å; L1031-D1033 PolarHBondContact O-N 3.01Å; D1033-M1035 VanDerWaalsContact C-N 3.3Å; D1033-M1035 PolarHBondContact O-N 3.25Å; D1033-I1036 PolarHBondContact O-N 2.6Å; D1033-E1037 VanDerWaalsContact O-CB 3.28Å; D1033-E1037 WeakPolarHBondContact O-CB 3.37Å; D1033-E1037 PolarHBondContact O-N 2.73Å |
| 1034 | S | 94.3 | Very high | 77.1 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.3 | -27.2 | 177.8 | 71.5 | 0 | 0 | 0 | 0 | 113.6 | T1030 L1031 L1032 L1038 P1296 V1297 | T1030-S1034 PolarHBondContact O-N 2.73Å; T1030-S1034 VanDerWaalsContact O-N 3.09Å; L1031-S1034 PolarHBondContact O-N 2.93Å; L1031-S1034 VanDerWaalsContact O-N 3.08Å; L1031-S1034 PolarHBondContact O-OG 3.34Å; L1032-S1034 VanDerWaalsContact C-N 3.3Å; L1032-S1034 PolarHBondContact O-N 3.28Å; S1034-L1038 WeakPolarHBondContact O-CB 3.42Å; S1034-L1038 PolarHBondContact O-N 2.87Å; S1034-P1296 WeakPolarHBondContact OG-CA 3.43Å; S1034-V1297 PolarHBondContact OG-N 3.44Å; S1034-V1297 VanDerWaalsContact OG-N 3.15Å |
| 1035 | M | 95.9 | Very high | 79.4 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -76.9 | -38.3 | 174 | -64.4 | -65.2 | 95.4 | 0 | 0 | 111.9 | L1031 L1032 D1033 L1038 E1039 M1291 V1297 I1327 L1328 F1331 | L1031-M1035 HydrophobicContact CD1-CE 4.21Å; L1031-M1035 HydrophobicContact CD1-CG 4.04Å; L1031-M1035 HydrophobicContact CD1-SD 4.44Å; L1031-M1035 HydrophobicContact CG-CG 4.48Å; L1031-M1035 WeakPolarHBondContact O-CG 3.15Å; L1031-M1035 PolarHBondContact O-N 3.48Å; L1032-M1035 PolarHBondContact O-N 3.4Å; L1032-M1035 VanDerWaalsContact O-N 3.14Å; D1033-M1035 VanDerWaalsContact C-N 3.3Å; D1033-M1035 PolarHBondContact O-N 3.25Å; M1035-L1038 HydrophobicContact CE-CB 4.49Å; M1035-L1038 HydrophobicContact CE-CD2 3.78Å; M1035-L1038 PolarHBondContact O-N 2.89Å; M1035-L1038 HydrophobicContact SD-CD2 4.32Å; M1035-E1039 WeakPolarHBondContact O-CB 3.35Å; M1035-E1039 PolarHBondContact O-N 2.9Å; M1035-M1291 HydrophobicContact SD-SD 4.49Å; M1035-V1297 HydrophobicContact CE-CB 3.79Å; M1035-V1297 HydrophobicContact CE-CG1 4.46Å; M1035-I1327 HydrophobicContact CE-CG2 3.89Å; M1035-I1327 HydrophobicContact SD-CG2 4.01Å; M1035-L1328 HydrophobicContact SD-CD2 4.26Å; M1035-F1331 HydrophobicContact CB-CD1 3.91Å; M1035-F1331 HydrophobicContact CB-CE1 3.83Å; M1035-F1331 HydrophobicContact CB-CG 4.37Å; M1035-F1331 HydrophobicContact CB-CZ 4.24Å; M1035-F1331 HydrophobicContact CG-CB 4.28Å; M1035-F1331 HydrophobicContact CG-CD1 3.65Å; M1035-F1331 HydrophobicContact CG-CD2 3.71Å; M1035-F1331 HydrophobicContact CG-CE1 3.81Å; M1035-F1331 HydrophobicContact CG-CE2 3.88Å; M1035-F1331 HydrophobicContact CG-CG 3.59Å; M1035-F1331 HydrophobicContact CG-CZ 3.92Å; M1035-F1331 HydrophobicContact SD-CB 3.79Å; M1035-F1331 HydrophobicContact SD-CD1 4.2Å; M1035-F1331 HydrophobicContact SD-CD2 4.18Å; M1035-F1331 HydrophobicContact SD-CG 3.8Å |
| 1036 | I | 90.2 | Very high | 82.3 | Confident | 97 Ų | 97 | 50 Ų | 50 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 172.3 | -64.5 | 165.4 | 0 | 0 | 0 | 110.5 | L1032 D1033 S1040 | L1032-I1036 HydrophobicContact CD1-CD1 4.21Å; L1032-I1036 HydrophobicContact CD1-CG1 4.5Å; L1032-I1036 HydrophobicContact CG-CD1 4Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.41Å; L1032-I1036 PolarHBondContact O-N 2.88Å; D1033-I1036 PolarHBondContact O-N 2.6Å; I1036-S1040 VanDerWaalsContact O-CB 3.26Å; I1036-S1040 WeakPolarHBondContact O-CB 3.24Å; I1036-S1040 PolarHBondContact O-N 2.78Å |
| 1037 | E | 91.6 | Very high | 85 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 172.6 | -173.8 | -177.4 | -178.8 | 0 | 0 | 111 | D1033 H1041 K1298 | D1033-E1037 VanDerWaalsContact O-CB 3.28Å; D1033-E1037 WeakPolarHBondContact O-CB 3.37Å; D1033-E1037 PolarHBondContact O-N 2.73Å; E1037-H1041 VanDerWaalsContact CG-CE1 3.46Å; E1037-H1041 WeakPolarHBondContact CG-CE1 3.2Å; E1037-H1041 VanDerWaalsContact CG-ND1 3.35Å; E1037-H1041 WeakPolarHBondContact CG-ND1 3.35Å; E1037-H1041 WeakPolarHBondContact O-CB 3.39Å; E1037-H1041 VanDerWaalsContact O-CG 3.31Å; E1037-H1041 PolarHBondContact O-N 3.14Å; E1037-H1041 PolarHBondContact O-ND1 2.74Å; E1037-H1041 IonicContact OE1-CE1 3.15Å; E1037-H1041 IonicContact OE1-ND1 2.67Å; E1037-K1298 IonicContact OE1-NZ 2.76Å; E1037-K1298 IonicContact OE2-NZ 3.29Å; E1037-K1298 PolarHBondContact OE2-NZ 3.45Å |
| 1038 | L | 94.2 | Very high | 87.5 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -49.7 | 178.1 | 177.8 | 55.7 | 0 | 0 | 0 | 112.3 | S1034 M1035 L1042 L1047 P1299 C1324 I1327 L1328 | S1034-L1038 WeakPolarHBondContact O-CB 3.42Å; S1034-L1038 PolarHBondContact O-N 2.87Å; M1035-L1038 HydrophobicContact CE-CB 4.49Å; M1035-L1038 HydrophobicContact CE-CD2 3.78Å; M1035-L1038 PolarHBondContact O-N 2.89Å; M1035-L1038 HydrophobicContact SD-CD2 4.32Å; L1038-L1042 WeakPolarHBondContact O-CB 3.29Å; L1038-L1042 PolarHBondContact O-N 3Å; L1038-L1047 HydrophobicContact CD1-CD2 3.5Å; L1038-L1047 VanDerWaalsContact CD1-CD2 3.5Å; L1038-P1299 HydrophobicContact CD1-CG 3.79Å; L1038-P1299 HydrophobicContact CD2-CG 4.17Å; L1038-C1324 HydrophobicContact CD1-CB 3.89Å; L1038-I1327 HydrophobicContact CD2-CB 4.18Å; L1038-I1327 HydrophobicContact CD2-CG2 3.72Å; L1038-L1328 HydrophobicContact CB-CD2 4.29Å; L1038-L1328 HydrophobicContact CD2-CD2 3.93Å; L1038-L1328 HydrophobicContact CD2-CG 3.91Å; L1038-L1328 HydrophobicContact CG-CD1 4.25Å; L1038-L1328 HydrophobicContact CG-CD2 3.99Å; L1038-L1328 HydrophobicContact CG-CG 4.03Å |
| 1039 | E | 92.8 | Very high | 89.1 | Confident | 104 Ų | 104 | 38.9 Ų | 38.9 | 49% | 0.486 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.9 | -170.8 | 178.2 | -170.8 | 0 | 0 | 110.9 | M1035 A1043 L1328 | M1035-E1039 WeakPolarHBondContact O-CB 3.35Å; M1035-E1039 PolarHBondContact O-N 2.9Å; E1039-A1043 WeakPolarHBondContact O-CB 3.44Å; E1039-A1043 PolarHBondContact O-N 2.76Å; E1039-L1328 HydrophobicContact CB-CD1 4.25Å; E1039-L1328 HydrophobicContact CB-CD2 4.19Å |
| 1040 | S | 89.8 | Confident | 90.3 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 179 | -173.3 | 0 | 0 | 0 | 0 | 113 | I1036 L1042 A1043 D1044 | I1036-S1040 VanDerWaalsContact O-CB 3.26Å; I1036-S1040 WeakPolarHBondContact O-CB 3.24Å; I1036-S1040 PolarHBondContact O-N 2.78Å; S1040-L1042 VanDerWaalsContact C-N 3.32Å; S1040-L1042 PolarHBondContact O-N 3.04Å; S1040-A1043 PolarHBondContact O-N 2.78Å; S1040-D1044 PolarHBondContact O-N 3.47Å |
| 1041 | H | 89 | Confident | 90.5 | Very high | 56 Ų | 56 | 39 Ų | 39 | 26% | 0.259 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -77.2 | -17.2 | -177.5 | -65.2 | 148.7 | 0 | 0 | 0 | 113.5 | E1037 D1044 G1045 S1046 L1047 | E1037-H1041 VanDerWaalsContact CG-CE1 3.46Å; E1037-H1041 WeakPolarHBondContact CG-CE1 3.2Å; E1037-H1041 VanDerWaalsContact CG-ND1 3.35Å; E1037-H1041 WeakPolarHBondContact CG-ND1 3.35Å; E1037-H1041 WeakPolarHBondContact O-CB 3.39Å; E1037-H1041 VanDerWaalsContact O-CG 3.31Å; E1037-H1041 PolarHBondContact O-N 3.14Å; E1037-H1041 PolarHBondContact O-ND1 2.74Å; E1037-H1041 IonicContact OE1-CE1 3.15Å; E1037-H1041 IonicContact OE1-ND1 2.67Å; H1041-D1044 WeakPolarHBondContact CA-OD1 3.39Å; H1041-G1045 CarbonylContact O-C 3.51Å; H1041-G1045 WeakPolarHBondContact O-CA 3.43Å; H1041-G1045 PolarHBondContact O-N 3.33Å; H1041-G1045 VanDerWaalsContact O-N 3.13Å; H1041-S1046 PolarHBondContact CD2-OG 3.35Å; H1041-S1046 PolarHBondContact O-N 3.47Å; H1041-L1047 HydrophobicContact CB-CB 3.93Å; H1041-L1047 HydrophobicContact CB-CD1 4.24Å; H1041-L1047 VanDerWaalsContact O-CB 3.24Å; H1041-L1047 WeakPolarHBondContact O-CB 3.35Å; H1041-L1047 PolarHBondContact O-N 2.9Å |
| 1042 | L | 90.4 | Very high | 90.3 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -79.2 | -41.6 | 167.8 | -170.9 | 66 | 0 | 0 | 0 | 110.7 | Y372 L1038 S1040 D1044 G1045 L1048 Q1321 C1324 E1325 L1328 | Y372-L1042 PolarHBondContact OH-O 2.91Å; Y372-L1042 VanDerWaalsContact OH-O 3.08Å; L1038-L1042 WeakPolarHBondContact O-CB 3.29Å; L1038-L1042 PolarHBondContact O-N 3Å; S1040-L1042 VanDerWaalsContact C-N 3.32Å; S1040-L1042 PolarHBondContact O-N 3.04Å; L1042-D1044 VanDerWaalsContact C-N 3.33Å; L1042-D1044 PolarHBondContact O-N 3.28Å; L1042-G1045 PolarHBondContact O-N 3.07Å; L1042-G1045 VanDerWaalsContact O-N 3.15Å; L1042-L1048 HydrophobicContact CD1-CD1 4.43Å; L1042-L1048 HydrophobicContact CD1-CD2 3.77Å; L1042-L1048 HydrophobicContact CD1-CG 4.11Å; L1042-Q1321 HydrophobicContact CD1-CG 4.37Å; L1042-C1324 HydrophobicContact CD1-CB 4.11Å; L1042-C1324 HydrophobicContact CD2-CB 4.06Å; L1042-E1325 HydrophobicContact CD2-CG 3.92Å; L1042-L1328 HydrophobicContact CD2-CD1 4.04Å |
| 1043 | A | 83.3 | Confident | 90.3 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -75 | -14.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F369 Y372 E1039 S1040 | F369-A1043 WeakPolarHBondContact CD1-O 3.26Å; F369-A1043 HydrophobicContact CD2-CB 4.41Å; F369-A1043 HydrophobicContact CE1-CB 3.91Å; F369-A1043 WeakPolarHBondContact CE1-O 3.36Å; F369-A1043 HydrophobicContact CE2-CB 3.65Å; F369-A1043 WeakPolarHBondContact CG-O 3.33Å; F369-A1043 HydrophobicContact CZ-CB 3.36Å; Y372-A1043 WeakPolarHBondContact CD2-O 3.34Å; Y372-A1043 WeakPolarHBondContact CE2-O 3.35Å; E1039-A1043 WeakPolarHBondContact O-CB 3.44Å; E1039-A1043 PolarHBondContact O-N 2.76Å; S1040-A1043 PolarHBondContact O-N 2.78Å |
| 1044 | D | 86.7 | Confident | 90.3 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 0.4 | 162.4 | 76.7 | 18.6 | 0 | 0 | 0 | 114.7 | F369 R371 Y372 S1040 H1041 L1042 S1046 | F369-D1044 HydrophobicContact CD1-CB 3.79Å; F369-D1044 HydrophobicContact CE1-CB 3.82Å; R371-D1044 HydrophobicContact CB-CB 4.1Å; Y372-D1044 WeakPolarHBondContact CA-O 3.46Å; S1040-D1044 PolarHBondContact O-N 3.47Å; H1041-D1044 WeakPolarHBondContact CA-OD1 3.39Å; L1042-D1044 VanDerWaalsContact C-N 3.33Å; L1042-D1044 PolarHBondContact O-N 3.28Å; D1044-S1046 PolarHBondContact O-N 3.15Å; D1044-S1046 WeakPolarHBondContact OD1-CB 3.01Å; D1044-S1046 PolarHBondContact OD1-N 3.47Å; D1044-S1046 PolarHBondContact OD1-OG 3.08Å |
| 1045 | G | 83.7 | Confident | 90 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 66.6 | -1.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116 | Y372 H1041 L1042 L1047 L1048 N1049 | Y372-G1045 VanDerWaalsContact CE1-CA 3.45Å; Y372-G1045 VanDerWaalsContact CE2-N 3.35Å; Y372-G1045 VanDerWaalsContact CZ-N 3.31Å; Y372-G1045 VanDerWaalsContact OH-CA 3.26Å; Y372-G1045 WeakPolarHBondContact OH-CA 3.36Å; H1041-G1045 CarbonylContact O-C 3.51Å; H1041-G1045 WeakPolarHBondContact O-CA 3.43Å; H1041-G1045 PolarHBondContact O-N 3.33Å; H1041-G1045 VanDerWaalsContact O-N 3.13Å; L1042-G1045 PolarHBondContact O-N 3.07Å; L1042-G1045 VanDerWaalsContact O-N 3.15Å; G1045-L1047 PolarHBondContact O-N 3.15Å; G1045-L1047 VanDerWaalsContact O-N 3.14Å; G1045-L1048 PolarHBondContact O-N 3.39Å; G1045-N1049 PolarHBondContact O-N 3.22Å |
| 1046 | S | 89.7 | Confident | 89.8 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -27.8 | 175.2 | 64 | 0 | 0 | 0 | 0 | 111.4 | H1041 D1044 Q1050 | H1041-S1046 PolarHBondContact CD2-OG 3.35Å; H1041-S1046 PolarHBondContact O-N 3.47Å; D1044-S1046 PolarHBondContact O-N 3.15Å; D1044-S1046 WeakPolarHBondContact OD1-CB 3.01Å; D1044-S1046 PolarHBondContact OD1-N 3.47Å; D1044-S1046 PolarHBondContact OD1-OG 3.08Å; S1046-Q1050 VanDerWaalsContact O-CB 3.24Å; S1046-Q1050 WeakPolarHBondContact O-CB 3.44Å; S1046-Q1050 WeakPolarHBondContact O-CG 3.26Å; S1046-Q1050 PolarHBondContact O-N 3.22Å; S1046-Q1050 PolarHBondContact O-NE2 2.91Å |
| 1047 | L | 89.9 | Confident | 89.8 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -43.6 | 173.7 | -160 | 80.5 | 0 | 0 | 0 | 112.9 | L1038 H1041 G1045 Q1050 F1051 L1300 F1320 C1324 | L1038-L1047 HydrophobicContact CD1-CD2 3.5Å; L1038-L1047 VanDerWaalsContact CD1-CD2 3.5Å; H1041-L1047 HydrophobicContact CB-CB 3.93Å; H1041-L1047 HydrophobicContact CB-CD1 4.24Å; H1041-L1047 VanDerWaalsContact O-CB 3.24Å; H1041-L1047 WeakPolarHBondContact O-CB 3.35Å; H1041-L1047 PolarHBondContact O-N 2.9Å; G1045-L1047 PolarHBondContact O-N 3.15Å; G1045-L1047 VanDerWaalsContact O-N 3.14Å; L1047-Q1050 PolarHBondContact O-N 2.85Å; L1047-F1051 PolarHBondContact O-N 3.25Å; L1047-L1300 HydrophobicContact CD1-CD1 3.67Å; L1047-L1300 HydrophobicContact CD1-CG 3.97Å; L1047-L1300 HydrophobicContact CG-CD1 4.35Å; L1047-L1300 HydrophobicContact CG-CG 4.41Å; L1047-F1320 HydrophobicContact CD2-CE1 4.01Å; L1047-F1320 HydrophobicContact CD2-CZ 4.06Å; L1047-F1320 HydrophobicContact CG-CE1 3.89Å; L1047-F1320 HydrophobicContact CG-CZ 3.99Å; L1047-C1324 HydrophobicContact CD2-CB 4.32Å; L1047-C1324 VanDerWaalsContact CD2-SG 3.53Å |
| 1048 | L | 91.9 | Very high | 89.8 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.4 | -47 | -179.9 | -59.4 | -175 | 0 | 0 | 0 | 110.4 | L1042 G1045 Q1050 F1051 E1052 T1317 F1320 Q1321 | L1042-L1048 HydrophobicContact CD1-CD1 4.43Å; L1042-L1048 HydrophobicContact CD1-CD2 3.77Å; L1042-L1048 HydrophobicContact CD1-CG 4.11Å; G1045-L1048 PolarHBondContact O-N 3.39Å; L1048-Q1050 VanDerWaalsContact C-N 3.35Å; L1048-Q1050 PolarHBondContact O-N 2.62Å; L1048-F1051 WeakPolarHBondContact O-CB 3.39Å; L1048-F1051 PolarHBondContact O-N 3.29Å; L1048-F1051 VanDerWaalsContact O-N 3.13Å; L1048-E1052 PolarHBondContact O-N 2.81Å; L1048-T1317 HydrophobicContact CB-CG2 3.95Å; L1048-T1317 HydrophobicContact CD2-CG2 4.39Å; L1048-F1320 HydrophobicContact CD2-CD1 3.84Å; L1048-F1320 HydrophobicContact CD2-CE1 4.19Å; L1048-Q1321 HydrophobicContact CD2-CB 3.75Å; L1048-Q1321 HydrophobicContact CD2-CG 4.39Å |
| 1049 | N | 88 | Confident | 89.3 | Confident | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 172.7 | -178 | 59.2 | 0 | 0 | 0 | 111 | S374 I375 T376 G1045 F1051 E1052 H1053 | S374-N1049 WeakPolarHBondContact CB-ND2 3.49Å; S374-N1049 PolarHBondContact O-OD1 3.3Å; S374-N1049 PolarHBondContact OG-ND2 3.39Å; I375-N1049 PolarHBondContact O-ND2 2.99Å; T376-N1049 PolarHBondContact O-ND2 2.84Å; T376-N1049 VanDerWaalsContact O-ND2 3.16Å; T376-N1049 PolarHBondContact O-OD1 2.67Å; G1045-N1049 PolarHBondContact O-N 3.22Å; N1049-F1051 VanDerWaalsContact C-N 3.29Å; N1049-F1051 PolarHBondContact O-N 2.98Å; N1049-E1052 PolarHBondContact O-N 2.73Å; N1049-H1053 PolarHBondContact O-CE1 3.29Å; N1049-H1053 PolarHBondContact O-ND1 3.09Å; N1049-H1053 PolarHBondContact OD1-CE1 3.44Å |
| 1050 | Q | 91.7 | Very high | 89 | Confident | 96 Ų | 96 | 48.7 Ų | 48.7 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -35.3 | 174.7 | -82 | 172 | 91.1 | 0 | 0 | 113.6 | S1046 L1047 L1048 H1053 L1054 L1300 | S1046-Q1050 VanDerWaalsContact O-CB 3.24Å; S1046-Q1050 WeakPolarHBondContact O-CB 3.44Å; S1046-Q1050 WeakPolarHBondContact O-CG 3.26Å; S1046-Q1050 PolarHBondContact O-N 3.22Å; S1046-Q1050 PolarHBondContact O-NE2 2.91Å; L1047-Q1050 PolarHBondContact O-N 2.85Å; L1048-Q1050 VanDerWaalsContact C-N 3.35Å; L1048-Q1050 PolarHBondContact O-N 2.62Å; Q1050-H1053 PolarHBondContact O-N 3.48Å; Q1050-L1054 PolarHBondContact O-N 2.88Å; Q1050-L1054 VanDerWaalsContact O-N 3.11Å; Q1050-L1300 HydrophobicContact CB-CD1 3.56Å; Q1050-L1300 HydrophobicContact CB-CD2 4.2Å; Q1050-L1300 HydrophobicContact CG-CD1 4.32Å |
| 1051 | F | 94.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 177.6 | 163.7 | -91.1 | 0 | 0 | 0 | 113.1 | L1047 L1048 N1049 H1053 L1054 L1300 V1303 I1314 F1320 | L1047-F1051 PolarHBondContact O-N 3.25Å; L1048-F1051 WeakPolarHBondContact O-CB 3.39Å; L1048-F1051 PolarHBondContact O-N 3.29Å; L1048-F1051 VanDerWaalsContact O-N 3.13Å; N1049-F1051 VanDerWaalsContact C-N 3.29Å; N1049-F1051 PolarHBondContact O-N 2.98Å; F1051-H1053 PolarHBondContact O-N 3.1Å; F1051-H1053 VanDerWaalsContact O-N 3.12Å; F1051-L1054 WeakPolarHBondContact O-CB 3.46Å; F1051-L1054 PolarHBondContact O-N 3.2Å; F1051-L1054 VanDerWaalsContact O-N 3.14Å; F1051-L1300 HydrophobicContact CB-CD2 3.77Å; F1051-V1303 HydrophobicContact CD2-CG1 4.26Å; F1051-V1303 HydrophobicContact CD2-CG2 4.47Å; F1051-V1303 HydrophobicContact CE2-CG1 4Å; F1051-V1303 HydrophobicContact CE2-CG2 4.47Å; F1051-I1314 HydrophobicContact CE2-CB 4.2Å; F1051-I1314 HydrophobicContact CE2-CG2 3.82Å; F1051-I1314 HydrophobicContact CZ-CB 4.37Å; F1051-I1314 HydrophobicContact CZ-CG2 3.73Å; F1051-F1320 HydrophobicContact CB-CD1 3.38Å; F1051-F1320 HydrophobicContact CB-CD2 4.34Å; F1051-F1320 HydrophobicContact CB-CE1 3.49Å; F1051-F1320 VanDerWaalsContact CB-CE1 3.49Å; F1051-F1320 HydrophobicContact CB-CE2 4.42Å; F1051-F1320 HydrophobicContact CB-CG 3.84Å; F1051-F1320 HydrophobicContact CB-CZ 4.03Å; F1051-F1320 HydrophobicContact CD1-CB 3.83Å; F1051-F1320 HydrophobicContact CD1-CD1 4.08Å; F1051-F1320 HydrophobicContact CD1-CG 4.02Å; F1051-F1320 HydrophobicContact CD2-CB 3.65Å; F1051-F1320 AromaticContact CD2-CD1 3.85Å; F1051-F1320 HydrophobicContact CD2-CD1 3.85Å; F1051-F1320 AromaticContact CD2-CD2 3.41Å; F1051-F1320 HydrophobicContact CD2-CD2 3.41Å; F1051-F1320 VanDerWaalsContact CD2-CD2 3.41Å; F1051-F1320 HydrophobicContact CD2-CE1 4.39Å; F1051-F1320 AromaticContact CD2-CE2 3.99Å; F1051-F1320 HydrophobicContact CD2-CE2 3.99Å; F1051-F1320 AromaticContact CD2-CG 3.32Å; F1051-F1320 HydrophobicContact CD2-CG 3.32Å; F1051-F1320 HydrophobicContact CD2-CZ 4.45Å; F1051-F1320 HydrophobicContact CE1-CB 3.85Å; F1051-F1320 HydrophobicContact CE1-CG 4.46Å; F1051-F1320 HydrophobicContact CE2-CB 3.63Å; F1051-F1320 AromaticContact CE2-CD2 3.88Å; F1051-F1320 HydrophobicContact CE2-CD2 3.88Å; F1051-F1320 AromaticContact CE2-CG 3.81Å; F1051-F1320 HydrophobicContact CE2-CG 3.81Å; F1051-F1320 HydrophobicContact CG-CB 3.74Å; F1051-F1320 AromaticContact CG-CD1 3.5Å; F1051-F1320 HydrophobicContact CG-CD1 3.5Å; F1051-F1320 VanDerWaalsContact CG-CD1 3.5Å; F1051-F1320 AromaticContact CG-CD2 3.98Å; F1051-F1320 HydrophobicContact CG-CD2 3.98Å; F1051-F1320 HydrophobicContact CG-CE1 4.08Å; F1051-F1320 HydrophobicContact CG-CE2 4.49Å; F1051-F1320 AromaticContact CG-CG 3.43Å; F1051-F1320 HydrophobicContact CG-CG 3.43Å; F1051-F1320 VanDerWaalsContact CG-CG 3.43Å; F1051-F1320 HydrophobicContact CZ-CB 3.74Å; F1051-F1320 HydrophobicContact CZ-CG 4.36Å |
| 1052 | E | 88 | Confident | 89.2 | Confident | 105 Ų | 105 | 48 Ų | 48 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -23.3 | 177.4 | -70.4 | 179.6 | 171.6 | 0 | 0 | 112.1 | L1048 N1049 T1317 | L1048-E1052 PolarHBondContact O-N 2.81Å; N1049-E1052 PolarHBondContact O-N 2.73Å; E1052-T1317 HydrophobicContact CG-CG2 4.22Å; E1052-T1317 WeakPolarHBondContact CG-OG1 3.36Å; E1052-T1317 WeakPolarHBondContact OE1-CB 3.35Å; E1052-T1317 WeakPolarHBondContact OE1-CG2 3.45Å; E1052-T1317 PolarHBondContact OE1-OG1 2.92Å |
| 1053 | H | 90.3 | Very high | 89.4 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 2 | -178 | -52.9 | 109.9 | 0 | 0 | 0 | 114.4 | T376 R377 N1049 Q1050 F1051 | T376-H1053 VanDerWaalsContact C-CE1 3.48Å; T376-H1053 PolarHBondContact O-CE1 3.16Å; T376-H1053 PolarHBondContact O-ND1 3.27Å; R377-H1053 HydrophobicContact CB-CB 4.49Å; R377-H1053 WeakPolarHBondContact CB-CD2 3.38Å; R377-H1053 HydrophobicContact CG-CB 4.06Å; R377-H1053 PolarHBondContact N-CD2 3.46Å; R377-H1053 PolarHBondContact N-CE1 2.93Å; R377-H1053 PolarHBondContact N-ND1 2.67Å; R377-H1053 PolarHBondContact N-NE2 3.18Å; R377-H1053 PolarHBondContact O-CD2 2.95Å; R377-H1053 PolarHBondContact O-NE2 3.02Å; N1049-H1053 PolarHBondContact O-CE1 3.29Å; N1049-H1053 PolarHBondContact O-ND1 3.09Å; N1049-H1053 PolarHBondContact OD1-CE1 3.44Å; Q1050-H1053 PolarHBondContact O-N 3.48Å; F1051-H1053 PolarHBondContact O-N 3.1Å; F1051-H1053 VanDerWaalsContact O-N 3.12Å |
| 1054 | L | 90.4 | Very high | 89.9 | Confident | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -71.3 | 125.5 | 168.4 | -172.6 | 69.4 | 0 | 0 | 0 | 108.7 | Q1050 F1051 R1056 V1303 Q1304 R1307 | Q1050-L1054 PolarHBondContact O-N 2.88Å; Q1050-L1054 VanDerWaalsContact O-N 3.11Å; F1051-L1054 WeakPolarHBondContact O-CB 3.46Å; F1051-L1054 PolarHBondContact O-N 3.2Å; F1051-L1054 VanDerWaalsContact O-N 3.14Å; L1054-R1056 PolarHBondContact O-N 3.48Å; L1054-V1303 HydrophobicContact CD2-CB 3.65Å; L1054-V1303 HydrophobicContact CD2-CG1 3.47Å; L1054-V1303 VanDerWaalsContact CD2-CG1 3.47Å; L1054-Q1304 HydrophobicContact CD1-CB 4.1Å; L1054-Q1304 HydrophobicContact CD1-CG 4.25Å; L1054-Q1304 HydrophobicContact CD2-CB 4.48Å; L1054-R1307 PolarHBondContact O-NH1 3.27Å |
| 1055 | P | 89.2 | Confident | 90.2 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | trans | -50.9 | 124.3 | -174 | -30.3 | 36.2 | 0 | 0 | 0 | 113.5 | R1057 R1307 | P1055-R1057 PolarHBondContact O-N 3.42Å; P1055-R1307 VanDerWaalsContact O-CD 3.32Å; P1055-R1307 WeakPolarHBondContact O-CD 3.29Å | ||
| 1056 | R | 90.3 | Very high | 90.6 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 26% | 0.26 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -63.9 | -17.4 | 175.7 | -78.8 | -177.5 | 72.2 | -174.5 | -1.6 | 113 | P971 L1054 M1312 | P971-R1056 PolarHBondContact O-NH1 2.96Å; L1054-R1056 PolarHBondContact O-N 3.48Å; R1056-M1312 HydrophobicContact CB-CG 4.07Å; R1056-M1312 VanDerWaalsContact O-CG 3.31Å; R1056-M1312 WeakPolarHBondContact O-CG 3.44Å; R1056-M1312 PolarHBondContact O-N 3Å |
| 1057 | R | 91.6 | Very high | 90.6 | Very high | 75 Ų | 75 | 59 Ų | 59 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -143.8 | 142.3 | 177.9 | -67.5 | -178 | 175.7 | 148.4 | -1.7 | 110.5 | P1055 D1079 Y1083 A1311 | P1055-R1057 PolarHBondContact O-N 3.42Å; R1057-D1079 PolarHBondContact NH2-O 3.17Å; R1057-Y1083 WeakPolarHBondContact CA-OH 3.34Å; R1057-Y1083 VanDerWaalsContact CB-OH 3.28Å; R1057-Y1083 WeakPolarHBondContact CB-OH 3.19Å; R1057-A1311 HydrophobicContact CG-CB 3.89Å |
| 1058 | K | 90.7 | Very high | 90.6 | Very high | 84 Ų | 84 | 62.5 Ų | 62.5 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | trans | -66.5 | 133.5 | 169.9 | -164.7 | -179.7 | -169.1 | 159.4 | 0 | 110.6 | L1061 Y1083 E1308 | K1058-L1061 HydrophobicContact CB-CD1 4.11Å; K1058-L1061 HydrophobicContact CB-CG 4.28Å; K1058-L1061 HydrophobicContact CD-CD1 3.79Å; K1058-L1061 HydrophobicContact CD-CG 4.02Å; K1058-L1061 HydrophobicContact CG-CD1 4.42Å; K1058-L1061 HydrophobicContact CG-CG 4.4Å; K1058-Y1083 PolarHBondContact N-OH 3.35Å; K1058-E1308 HydrophobicContact CD-CB 3.81Å; K1058-E1308 HydrophobicContact CD-CG 3.76Å; K1058-E1308 WeakPolarHBondContact CE-OE2 3.5Å; K1058-E1308 HydrophobicContact CG-CG 4.14Å; K1058-E1308 IonicContact NZ-OE2 2.66Å; K1058-E1308 PolarHBondContact NZ-OE2 2.97Å | ||
| 1059 | S | 83.7 | Confident | 90.2 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 76% | 0.762 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 141.1 | 172.6 | -63.9 | 0 | 0 | 0 | 0 | 111 | ||
| 1060 | G | 87.3 | Confident | 90.2 | Very high | 77 Ų | 77 | 71.1 Ų | 71.1 | 79% | 0.794 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -11.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1061 | L | 90.6 | Very high | 90.2 | Very high | 45 Ų | 45 | 66.8 Ų | 66.8 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | trans | -88.2 | 145.6 | 170.7 | -58.9 | -170.2 | 0 | 0 | 0 | 111.3 | K1058 Y1083 Q1085 | K1058-L1061 HydrophobicContact CB-CD1 4.11Å; K1058-L1061 HydrophobicContact CB-CG 4.28Å; K1058-L1061 HydrophobicContact CD-CD1 3.79Å; K1058-L1061 HydrophobicContact CD-CG 4.02Å; K1058-L1061 HydrophobicContact CG-CD1 4.42Å; K1058-L1061 HydrophobicContact CG-CG 4.4Å; L1061-Y1083 HydrophobicContact CB-CD1 3.48Å; L1061-Y1083 VanDerWaalsContact CB-CD1 3.48Å; L1061-Y1083 HydrophobicContact CB-CD2 4.38Å; L1061-Y1083 HydrophobicContact CB-CE1 3.87Å; L1061-Y1083 HydrophobicContact CB-CG 3.77Å; L1061-Y1083 HydrophobicContact CD1-CD1 4.19Å; L1061-Y1083 HydrophobicContact CD1-CD2 3.51Å; L1061-Y1083 HydrophobicContact CD1-CE2 3.9Å; L1061-Y1083 HydrophobicContact CD1-CG 3.68Å; L1061-Y1083 HydrophobicContact CG-CD1 4.5Å; L1061-Y1083 HydrophobicContact CG-CG 4.4Å; L1061-Q1085 HydrophobicContact CD2-CB 4.08Å; L1061-Q1085 HydrophobicContact CD2-CG 3.93Å | ||
| 1062 | T | 92.4 | Very high | 89.9 | Confident | 53 Ų | 53 | 69 Ų | 69 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | trans | -108 | 164 | -176.8 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | Y1083 D1084 Q1085 | T1062-Y1083 CarbonylContact O-C 3.5Å; T1062-Y1083 VanDerWaalsContact O-CA 3.22Å; T1062-Y1083 WeakPolarHBondContact O-CA 3.41Å; T1062-D1084 WeakPolarHBondContact CB-OD2 3.35Å; T1062-D1084 PolarHBondContact O-N 2.95Å; T1062-D1084 PolarHBondContact OG1-OD2 3.32Å; T1062-Q1085 PolarHBondContact OG1-NE2 2.97Å | ||
| 1063 | M | 93.1 | Very high | 90 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | trans | -143.1 | 48.5 | -179.6 | -58.3 | 175.3 | -64.7 | 0 | 0 | 108.7 | S1066 R1067 P1082 Y1083 D1084 | M1063-S1066 PolarHBondContact O-OG 2.93Å; M1063-S1066 VanDerWaalsContact O-OG 3.14Å; M1063-R1067 VanDerWaalsContact O-CD 3.29Å; M1063-R1067 WeakPolarHBondContact O-CD 3.37Å; M1063-R1067 WeakPolarHBondContact O-CG 3.33Å; M1063-P1082 WeakPolarHBondContact CG-O 3.41Å; M1063-Y1083 HydrophobicContact CG-CD1 3.64Å; M1063-Y1083 HydrophobicContact CG-CE1 4.1Å; M1063-Y1083 HydrophobicContact SD-CD1 4.15Å; M1063-Y1083 HydrophobicContact SD-CE1 4.04Å; M1063-D1084 PolarHBondContact N-OD2 3.43Å | ||
| 1064 | N | 93.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 66.5 Ų | 66.5 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | trans | -90.6 | -34.8 | -169.3 | -62.8 | -6.7 | 0 | 0 | 0 | 111.3 | S1066 R1067 D1084 | N1064-S1066 VanDerWaalsContact C-N 3.3Å; N1064-S1066 PolarHBondContact O-N 3.19Å; N1064-R1067 WeakPolarHBondContact O-CB 3.3Å; N1064-R1067 PolarHBondContact O-N 2.82Å; N1064-R1067 VanDerWaalsContact O-N 3.09Å; N1064-D1084 VanDerWaalsContact N-CG 3.27Å; N1064-D1084 PolarHBondContact N-OD1 3.45Å; N1064-D1084 PolarHBondContact N-OD2 3.25Å | ||
| 1065 | V | 93.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 66.5 Ų | 66.5 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -65 | -36.3 | -178.5 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | R1067 L1068 N1071 D1084 Y1097 | V1065-R1067 PolarHBondContact O-N 2.72Å; V1065-L1068 HydrophobicContact CG1-CD1 4.4Å; V1065-L1068 PolarHBondContact O-N 2.77Å; V1065-N1071 VanDerWaalsContact O-CB 3.29Å; V1065-N1071 WeakPolarHBondContact O-CB 3.31Å; V1065-N1071 PolarHBondContact O-ND2 3.32Å; V1065-D1084 WeakPolarHBondContact CB-OD1 3.34Å; V1065-D1084 HydrophobicContact CG2-CB 4.36Å; V1065-D1084 WeakPolarHBondContact CG2-OD1 3.5Å; V1065-D1084 PolarHBondContact N-OD1 2.9Å; V1065-Y1097 HydrophobicContact CG1-CD2 3.87Å; V1065-Y1097 HydrophobicContact CG1-CG 4.45Å |
| 1066 | S | 91.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -66.4 | -16.4 | 176.3 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | M1063 N1064 N1075 S1081 Y1097 | M1063-S1066 PolarHBondContact O-OG 2.93Å; M1063-S1066 VanDerWaalsContact O-OG 3.14Å; N1064-S1066 VanDerWaalsContact C-N 3.3Å; N1064-S1066 PolarHBondContact O-N 3.19Å; S1066-N1075 PolarHBondContact O-ND2 3.15Å; S1066-S1081 WeakPolarHBondContact CB-OG 3.32Å; S1066-S1081 WeakPolarHBondContact OG-CB 3.41Å; S1066-S1081 PolarHBondContact OG-OG 2.89Å; S1066-Y1097 WeakPolarHBondContact CB-OH 3.36Å |
| 1067 | R | 89.6 | Confident | 90.3 | Very high | 170 Ų | 170 | 62.7 Ų | 62.7 | 64% | 0.642 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -99.4 | -10.1 | -175.6 | -65.1 | 174.8 | 168.7 | -152.3 | -11.5 | 113.7 | M1063 N1064 V1065 | M1063-R1067 VanDerWaalsContact O-CD 3.29Å; M1063-R1067 WeakPolarHBondContact O-CD 3.37Å; M1063-R1067 WeakPolarHBondContact O-CG 3.33Å; N1064-R1067 WeakPolarHBondContact O-CB 3.3Å; N1064-R1067 PolarHBondContact O-N 2.82Å; N1064-R1067 VanDerWaalsContact O-N 3.09Å; V1065-R1067 PolarHBondContact O-N 2.72Å |
| 1068 | L | 89.5 | Confident | 89.8 | Confident | 86 Ų | 86 | 68 Ų | 68 | 45% | 0.45 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -58 | 141.7 | 170.1 | -58.7 | 176.8 | 0 | 0 | 0 | 109.1 | V1065 E1070 N1071 S1072 | V1065-L1068 HydrophobicContact CG1-CD1 4.4Å; V1065-L1068 PolarHBondContact O-N 2.77Å; L1068-E1070 VanDerWaalsContact C-N 3.32Å; L1068-E1070 HydrophobicContact CB-CG 4.09Å; L1068-E1070 PolarHBondContact O-N 3.38Å; L1068-N1071 HydrophobicContact CB-CB 4.37Å; L1068-N1071 CarbonylContact O-C 3.54Å; L1068-N1071 WeakPolarHBondContact O-CA 3.47Å; L1068-N1071 PolarHBondContact O-N 2.94Å; L1068-S1072 PolarHBondContact O-N 3.01Å |
| 1069 | S | 84.9 | Confident | 89.5 | Confident | 98 Ų | 98 | 65.9 Ų | 65.9 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -54 | -47.8 | -174.8 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | N1071 S1072 | S1069-N1071 PolarHBondContact O-N 3.37Å; S1069-N1071 VanDerWaalsContact O-N 3.17Å; S1069-S1072 PolarHBondContact O-N 2.81Å; S1069-S1072 PolarHBondContact O-OG 2.9Å |
| 1070 | E | 87.2 | Confident | 89.8 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.2 | -25.7 | 174.3 | 57.4 | 178.4 | -152.2 | 0 | 0 | 115.1 | L1068 | L1068-E1070 VanDerWaalsContact C-N 3.32Å; L1068-E1070 HydrophobicContact CB-CG 4.09Å; L1068-E1070 PolarHBondContact O-N 3.38Å |
| 1071 | N | 92.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -103.1 | -22.2 | -178.7 | -68.2 | -27.4 | 0 | 0 | 0 | 112.8 | V1065 L1068 S1069 I1073 K1074 N1075 Y1097 | V1065-N1071 VanDerWaalsContact O-CB 3.29Å; V1065-N1071 WeakPolarHBondContact O-CB 3.31Å; V1065-N1071 PolarHBondContact O-ND2 3.32Å; L1068-N1071 HydrophobicContact CB-CB 4.37Å; L1068-N1071 CarbonylContact O-C 3.54Å; L1068-N1071 WeakPolarHBondContact O-CA 3.47Å; L1068-N1071 PolarHBondContact O-N 2.94Å; S1069-N1071 PolarHBondContact O-N 3.37Å; S1069-N1071 VanDerWaalsContact O-N 3.17Å; N1071-I1073 PolarHBondContact O-N 3.45Å; N1071-K1074 WeakPolarHBondContact O-CB 3.5Å; N1071-K1074 PolarHBondContact O-N 3.32Å; N1071-N1075 PolarHBondContact O-ND2 2.9Å; N1071-N1075 VanDerWaalsContact O-ND2 3.15Å; N1071-Y1097 HydrophobicContact CB-CD1 3.58Å; N1071-Y1097 HydrophobicContact CB-CE1 4.04Å; N1071-Y1097 HydrophobicContact CB-CG 3.93Å; N1071-Y1097 VanDerWaalsContact CG-CB 3.49Å; N1071-Y1097 VanDerWaalsContact OD1-CB 3.27Å; N1071-Y1097 WeakPolarHBondContact OD1-CB 3.29Å |
| 1072 | S | 88.2 | Confident | 90.4 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57 | -41.7 | 179.3 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | L1068 S1069 K1074 N1075 | L1068-S1072 PolarHBondContact O-N 3.01Å; S1069-S1072 PolarHBondContact O-N 2.81Å; S1069-S1072 PolarHBondContact O-OG 2.9Å; S1072-K1074 PolarHBondContact O-N 2.99Å; S1072-N1075 PolarHBondContact O-N 3.33Å; S1072-N1075 VanDerWaalsContact O-N 3.15Å; S1072-N1075 PolarHBondContact O-ND2 3.01Å |
| 1073 | I | 88.8 | Confident | 90.6 | Very high | 69 Ų | 69 | 53.1 Ų | 53.1 | 35% | 0.354 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12 | 178.3 | 71.9 | 172.7 | 0 | 0 | 0 | 113.9 | V954 N1071 N1125 | V954-I1073 HydrophobicContact CG2-CB 3.71Å; V954-I1073 HydrophobicContact CG2-CG2 3.64Å; N1071-I1073 PolarHBondContact O-N 3.45Å; I1073-N1125 PolarHBondContact O-ND2 3.13Å |
| 1074 | K | 93 | Very high | 90.8 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 8% | 0.078 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.6 | 175.5 | -63.2 | -165.2 | 176.7 | -160.7 | 0 | 112.8 | N1071 S1072 Y1097 Q1120 T1126 D1129 | N1071-K1074 WeakPolarHBondContact O-CB 3.5Å; N1071-K1074 PolarHBondContact O-N 3.32Å; S1072-K1074 PolarHBondContact O-N 2.99Å; K1074-Y1097 HydrophobicContact CB-CD1 4.14Å; K1074-Y1097 HydrophobicContact CB-CE1 4.16Å; K1074-Y1097 HydrophobicContact CD-CD1 4.19Å; K1074-Y1097 PolarHBondContact NZ-O 2.7Å; K1074-Q1120 PolarHBondContact O-NE2 3.47Å; K1074-T1126 HydrophobicContact CB-CG2 3.63Å; K1074-T1126 HydrophobicContact CD-CG2 4.09Å; K1074-T1126 HydrophobicContact CG-CG2 3.74Å; K1074-D1129 WeakPolarHBondContact CE-OD2 3.34Å; K1074-D1129 IonicContact NZ-OD1 3.24Å; K1074-D1129 PolarHBondContact NZ-OD1 2.98Å; K1074-D1129 IonicContact NZ-OD2 2.9Å; K1074-D1129 PolarHBondContact NZ-OD2 3.14Å |
| 1075 | N | 92.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | trans | -101.6 | 130.1 | -179.2 | -59.3 | -58.7 | 0 | 0 | 0 | 112 | S1066 N1071 S1072 Y1077 Y1097 N1099 | S1066-N1075 PolarHBondContact O-ND2 3.15Å; N1071-N1075 PolarHBondContact O-ND2 2.9Å; N1071-N1075 VanDerWaalsContact O-ND2 3.15Å; S1072-N1075 PolarHBondContact O-N 3.33Å; S1072-N1075 VanDerWaalsContact O-N 3.15Å; S1072-N1075 PolarHBondContact O-ND2 3.01Å; N1075-Y1077 VanDerWaalsContact C-N 3.29Å; N1075-Y1097 PolarHBondContact OD1-OH 3.16Å; N1075-N1099 PolarHBondContact OD1-ND2 3.45Å | ||
| 1076 | R | 91.5 | Very high | 91.1 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 13% | 0.125 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -70 | -27.5 | 172.2 | -176.2 | 177.2 | -72.9 | -81.6 | 0.5 | 112.6 | G1121 P1122 L1123 A1154 K1155 S1272 | R1076-G1121 PolarHBondContact NE-O 2.83Å; R1076-G1121 PolarHBondContact NH2-O 2.83Å; R1076-G1121 VanDerWaalsContact NH2-O 3.16Å; R1076-P1122 PolarHBondContact NH2-O 3.23Å; R1076-L1123 HydrophobicContact CB-CD1 4.48Å; R1076-L1123 HydrophobicContact CB-CD2 4.13Å; R1076-L1123 HydrophobicContact CB-CG 4.46Å; R1076-L1123 HydrophobicContact CG-CD2 4.26Å; R1076-A1154 PolarHBondContact NH1-O 3.4Å; R1076-K1155 VanDerWaalsContact CZ-O 3.25Å; R1076-K1155 PolarHBondContact NE-O 3.36Å; R1076-S1272 WeakPolarHBondContact CD-OG 3.49Å |
| 1077 | Y | 89.9 | Confident | 91.3 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -137.4 | 132.2 | -179.7 | -61.7 | -83.8 | 0 | 0 | 0 | 109.7 | D969 N1075 D1079 I1080 S1272 A1273 | D969-Y1077 HydrophobicContact CB-CE1 4.32Å; N1075-Y1077 VanDerWaalsContact C-N 3.29Å; Y1077-D1079 VanDerWaalsContact C-N 3.35Å; Y1077-D1079 PolarHBondContact O-N 3.42Å; Y1077-I1080 HydrophobicContact CG-CG1 4.28Å; Y1077-S1272 WeakPolarHBondContact CE2-OG 3.27Å; Y1077-S1272 PolarHBondContact OH-OG 2.8Å; Y1077-A1273 HydrophobicContact CD2-CB 3.78Å; Y1077-A1273 HydrophobicContact CE2-CB 3.74Å |
| 1078 | R | 82.9 | Confident | 91.7 | Very high | 188 Ų | 188 | 46.2 Ų | 46.2 | 71% | 0.709 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -73.6 | -23.9 | -173.5 | -64.5 | -179.8 | 73.3 | -175.2 | 4.5 | 113.5 | ||
| 1079 | D | 82.5 | Confident | 92.1 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -95.2 | -21 | -177.4 | 70.8 | -50.4 | 0 | 0 | 0 | 113.7 | R1057 Y1077 S1081 | R1057-D1079 PolarHBondContact NH2-O 3.17Å; Y1077-D1079 VanDerWaalsContact C-N 3.35Å; Y1077-D1079 PolarHBondContact O-N 3.42Å; D1079-S1081 PolarHBondContact O-N 3.49Å |
| 1080 | I | 90.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | trans | -93 | 75.4 | 179.7 | -43.6 | -54.6 | 0 | 0 | 0 | 110.9 | Y1077 N1099 A1273 I1275 M1312 | Y1077-I1080 HydrophobicContact CG-CG1 4.28Å; I1080-N1099 PolarHBondContact O-ND2 3.1Å; I1080-A1273 HydrophobicContact CG1-CB 4.28Å; I1080-A1273 HydrophobicContact CG2-CB 4.31Å; I1080-I1275 HydrophobicContact CD1-CD1 3.68Å; I1080-I1275 HydrophobicContact CG1-CD1 4.33Å; I1080-I1275 HydrophobicContact CG2-CD1 3.96Å; I1080-I1275 HydrophobicContact CG2-CG1 4.18Å; I1080-I1275 HydrophobicContact CG2-CG2 4Å; I1080-M1312 HydrophobicContact CD1-CE 3.49Å; I1080-M1312 VanDerWaalsContact CD1-CE 3.49Å; I1080-M1312 HydrophobicContact CD1-SD 4.48Å | ||
| 1081 | S | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -93.6 | 149.2 | 175.2 | -68.6 | 0 | 0 | 0 | 0 | 113.3 | S1066 D1079 | S1066-S1081 WeakPolarHBondContact CB-OG 3.32Å; S1066-S1081 WeakPolarHBondContact OG-CB 3.41Å; S1066-S1081 PolarHBondContact OG-OG 2.89Å; D1079-S1081 PolarHBondContact O-N 3.49Å |
| 1082 | P | 96.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 160.5 | 163.1 | 35.4 | -36.5 | 0 | 0 | 0 | 110.4 | M1063 R1087 Y1097 S1101 | M1063-P1082 WeakPolarHBondContact CG-O 3.41Å; P1082-R1087 HydrophobicContact CB-CB 3.94Å; P1082-R1087 HydrophobicContact CG-CB 4.12Å; P1082-Y1097 VanDerWaalsContact CD-OH 3.27Å; P1082-Y1097 WeakPolarHBondContact CD-OH 3.14Å; P1082-Y1097 HydrophobicContact CG-CE2 3.78Å; P1082-S1101 WeakPolarHBondContact CB-OG 3.42Å |
| 1083 | Y | 97.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 142.3 | 168.4 | -61 | -61.4 | 0 | 0 | 0 | 111.2 | R1057 K1058 L1061 T1062 M1063 Q1085 T1086 R1087 A1311 | R1057-Y1083 WeakPolarHBondContact CA-OH 3.34Å; R1057-Y1083 VanDerWaalsContact CB-OH 3.28Å; R1057-Y1083 WeakPolarHBondContact CB-OH 3.19Å; K1058-Y1083 PolarHBondContact N-OH 3.35Å; L1061-Y1083 HydrophobicContact CB-CD1 3.48Å; L1061-Y1083 VanDerWaalsContact CB-CD1 3.48Å; L1061-Y1083 HydrophobicContact CB-CD2 4.38Å; L1061-Y1083 HydrophobicContact CB-CE1 3.87Å; L1061-Y1083 HydrophobicContact CB-CG 3.77Å; L1061-Y1083 HydrophobicContact CD1-CD1 4.19Å; L1061-Y1083 HydrophobicContact CD1-CD2 3.51Å; L1061-Y1083 HydrophobicContact CD1-CE2 3.9Å; L1061-Y1083 HydrophobicContact CD1-CG 3.68Å; L1061-Y1083 HydrophobicContact CG-CD1 4.5Å; L1061-Y1083 HydrophobicContact CG-CG 4.4Å; T1062-Y1083 CarbonylContact O-C 3.5Å; T1062-Y1083 VanDerWaalsContact O-CA 3.22Å; T1062-Y1083 WeakPolarHBondContact O-CA 3.41Å; M1063-Y1083 HydrophobicContact CG-CD1 3.64Å; M1063-Y1083 HydrophobicContact CG-CE1 4.1Å; M1063-Y1083 HydrophobicContact SD-CD1 4.15Å; M1063-Y1083 HydrophobicContact SD-CE1 4.04Å; Y1083-Q1085 PolarHBondContact O-N 2.89Å; Y1083-Q1085 VanDerWaalsContact O-N 3.15Å; Y1083-T1086 PolarHBondContact O-N 3.44Å; Y1083-T1086 VanDerWaalsContact O-N 3.1Å; Y1083-R1087 WeakPolarHBondContact O-CB 3.42Å; Y1083-R1087 PolarHBondContact O-N 3.3Å; Y1083-A1311 HydrophobicContact CE1-CB 4.38Å; Y1083-A1311 HydrophobicContact CE2-CB 4.3Å |
| 1084 | D | 96.9 | Very high | 89.5 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.7 | 178.9 | -56.7 | -40.2 | 0 | 0 | 0 | 112.1 | T1062 M1063 N1064 V1065 | T1062-D1084 WeakPolarHBondContact CB-OD2 3.35Å; T1062-D1084 PolarHBondContact O-N 2.95Å; T1062-D1084 PolarHBondContact OG1-OD2 3.32Å; M1063-D1084 PolarHBondContact N-OD2 3.43Å; N1064-D1084 VanDerWaalsContact N-CG 3.27Å; N1064-D1084 PolarHBondContact N-OD1 3.45Å; N1064-D1084 PolarHBondContact N-OD2 3.25Å; V1065-D1084 WeakPolarHBondContact CB-OD1 3.34Å; V1065-D1084 HydrophobicContact CG2-CB 4.36Å; V1065-D1084 WeakPolarHBondContact CG2-OD1 3.5Å; V1065-D1084 PolarHBondContact N-OD1 2.9Å |
| 1085 | Q | 96.7 | Very high | 88.9 | Confident | 103 Ų | 103 | 45.8 Ų | 45.8 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -18.4 | -179.4 | -62 | 77 | 19.1 | 0 | 0 | 114.3 | L1061 T1062 Y1083 | L1061-Q1085 HydrophobicContact CD2-CB 4.08Å; L1061-Q1085 HydrophobicContact CD2-CG 3.93Å; T1062-Q1085 PolarHBondContact OG1-NE2 2.97Å; Y1083-Q1085 PolarHBondContact O-N 2.89Å; Y1083-Q1085 VanDerWaalsContact O-N 3.15Å |
| 1086 | T | 97.1 | Very high | 88.9 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 14% | 0.135 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -3.5 | -174.7 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | Y1083 S1101 F1102 H1309 | Y1083-T1086 PolarHBondContact O-N 3.44Å; Y1083-T1086 VanDerWaalsContact O-N 3.1Å; T1086-S1101 CarbonylContact O-C 3.54Å; T1086-S1101 VanDerWaalsContact O-CA 3.31Å; T1086-S1101 WeakPolarHBondContact O-CA 3.3Å; T1086-F1102 PolarHBondContact O-N 2.9Å; T1086-H1309 WeakPolarHBondContact CB-O 3.47Å; T1086-H1309 PolarHBondContact OG1-O 2.91Å |
| 1087 | R | 97.3 | Very high | 89.1 | Confident | 23 Ų | 23 | 46 Ų | 46 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 152.7 | 173.7 | 68.8 | -177.1 | -179.6 | 110.5 | -6.3 | 111 | P1082 Y1083 I1089 D1096 A1100 | P1082-R1087 HydrophobicContact CB-CB 3.94Å; P1082-R1087 HydrophobicContact CG-CB 4.12Å; Y1083-R1087 WeakPolarHBondContact O-CB 3.42Å; Y1083-R1087 PolarHBondContact O-N 3.3Å; R1087-I1089 HydrophobicContact CG-CG1 4.06Å; R1087-D1096 IonicContact CZ-OD1 3.52Å; R1087-D1096 IonicContact CZ-OD2 3.43Å; R1087-D1096 PolarHBondContact NH1-O 2.89Å; R1087-D1096 IonicContact NH1-OD1 2.73Å; R1087-D1096 PolarHBondContact NH1-OD1 2.86Å; R1087-D1096 IonicContact NH1-OD2 3.15Å; R1087-D1096 PolarHBondContact NH1-OD2 2.92Å; R1087-D1096 IonicContact NH2-OD1 3.4Å; R1087-D1096 PolarHBondContact NH2-OD1 2.87Å; R1087-D1096 IonicContact NH2-OD2 2.71Å; R1087-D1096 PolarHBondContact NH2-OD2 2.95Å; R1087-A1100 CarbonylContact C-O 3.58Å; R1087-A1100 WeakPolarHBondContact CA-O 3.42Å |
| 1088 | V | 97.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.7 | 163.8 | -168 | 0 | 0 | 0 | 0 | 108.3 | I1098 A1100 F1102 I1117 M1133 Q1137 | V1088-I1098 HydrophobicContact CB-CG2 4.16Å; V1088-A1100 HydrophobicContact CB-CB 4.48Å; V1088-A1100 HydrophobicContact CG2-CB 3.99Å; V1088-A1100 PolarHBondContact N-O 3.35Å; V1088-F1102 HydrophobicContact CB-CE2 4.19Å; V1088-F1102 HydrophobicContact CB-CZ 4.31Å; V1088-F1102 HydrophobicContact CG1-CE2 4.15Å; V1088-F1102 HydrophobicContact CG1-CZ 3.88Å; V1088-F1102 HydrophobicContact CG2-CD1 4.48Å; V1088-F1102 HydrophobicContact CG2-CD2 4.18Å; V1088-F1102 HydrophobicContact CG2-CE1 4.22Å; V1088-F1102 HydrophobicContact CG2-CE2 3.92Å; V1088-F1102 HydrophobicContact CG2-CG 4.46Å; V1088-F1102 HydrophobicContact CG2-CZ 3.94Å; V1088-I1117 HydrophobicContact CG2-CD1 4.37Å; V1088-I1117 HydrophobicContact CG2-CG1 4.12Å; V1088-I1117 HydrophobicContact CG2-CG2 3.77Å; V1088-M1133 HydrophobicContact CB-CG 4.28Å; V1088-M1133 HydrophobicContact CB-SD 4.21Å; V1088-M1133 HydrophobicContact CG1-CG 3.83Å; V1088-M1133 HydrophobicContact CG1-SD 4.41Å; V1088-M1133 HydrophobicContact CG2-CG 4.45Å; V1088-M1133 HydrophobicContact CG2-SD 4.05Å; V1088-Q1137 HydrophobicContact CG1-CG 3.96Å |
| 1089 | I | 96.6 | Very high | 90 | Very high | 78 Ų | 78 | 35.5 Ų | 35.5 | 40% | 0.4 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.9 | 177.8 | -54.6 | -177.6 | 0 | 0 | 0 | 107.5 | R1087 D1096 | R1087-I1089 HydrophobicContact CG-CG1 4.06Å; I1089-D1096 WeakPolarHBondContact CA-O 3.24Å; I1089-D1096 HydrophobicContact CG2-CB 3.9Å |
| 1090 | L | 93.2 | Very high | 90.8 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | trans | -79.4 | 135.5 | 176.9 | -61.1 | 178.9 | 0 | 0 | 0 | 110.3 | D1096 I1098 D1129 Q1132 M1133 | L1090-D1096 PolarHBondContact N-O 2.92Å; L1090-I1098 HydrophobicContact CD1-CB 4.22Å; L1090-I1098 HydrophobicContact CD1-CG2 4.36Å; L1090-I1098 HydrophobicContact CD2-CG2 4.12Å; L1090-I1098 HydrophobicContact CG-CG2 4.11Å; L1090-D1129 HydrophobicContact CD1-CB 3.87Å; L1090-Q1132 HydrophobicContact CD2-CG 4.2Å; L1090-M1133 HydrophobicContact CD2-CB 3.99Å | ||
| 1091 | K | 87.1 | Confident | 91.1 | Very high | 162 Ų | 162 | 33.2 Ų | 33.2 | 70% | 0.704 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -97.6 | -12.1 | -174.7 | -61.9 | 169.8 | -177 | 169.7 | 0 | 114 | E1136 | K1091-E1136 WeakPolarHBondContact CB-OE2 3.35Å; K1091-E1136 WeakPolarHBondContact CG-OE2 3.17Å; K1091-E1136 PolarHBondContact N-OE1 3.09Å; K1091-E1136 VanDerWaalsContact N-OE1 3.07Å; K1091-E1136 PolarHBondContact N-OE2 3.03Å |
| 1092 | Q | 72.9 | Confident | 91.4 | Very high | 73 Ų | 73 | 35.7 Ų | 35.7 | 34% | 0.341 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -130.9 | -174.2 | -177.8 | -54.5 | 179.1 | 32.2 | 0 | 0 | 109.6 | Q1132 E1136 V1171 | Q1092-Q1132 VanDerWaalsContact N-NE2 3.14Å; Q1092-Q1132 PolarHBondContact O-NE2 2.88Å; Q1092-E1136 PolarHBondContact N-OE1 2.95Å; Q1092-V1171 HydrophobicContact CB-CG1 3.83Å |
| 1093 | G | 68.2 | Low | 91.5 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | 86 | -151.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V1171 S1173 | G1093-V1171 VanDerWaalsContact CA-O 3.29Å; G1093-V1171 WeakPolarHBondContact CA-O 3.29Å; G1093-V1171 PolarHBondContact N-O 2.84Å; G1093-S1173 WeakPolarHBondContact O-CA 3.48Å; G1093-S1173 PolarHBondContact O-N 3.36Å |
| 1094 | S | 65.3 | Low | 91.4 | Very high | 81 Ų | 81 | 37.4 Ų | 37.4 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -92.7 | -19.7 | -172.8 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1095 | G | 81.3 | Confident | 91.4 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | trans | -174.9 | 168.8 | -180 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1097 | G1095-Y1097 PolarHBondContact O-N 2.82Š| ||
| 1096 | D | 92.3 | Very high | 91.3 | Very high | 60 Ų | 60 | 35.7 Ų | 35.7 | 32% | 0.321 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -87.8 | 0.2 | -167.9 | 87.6 | -13 | 0 | 0 | 0 | 115 | R1087 I1089 L1090 | R1087-D1096 IonicContact CZ-OD1 3.52Å; R1087-D1096 IonicContact CZ-OD2 3.43Å; R1087-D1096 PolarHBondContact NH1-O 2.89Å; R1087-D1096 IonicContact NH1-OD1 2.73Å; R1087-D1096 PolarHBondContact NH1-OD1 2.86Å; R1087-D1096 IonicContact NH1-OD2 3.15Å; R1087-D1096 PolarHBondContact NH1-OD2 2.92Å; R1087-D1096 IonicContact NH2-OD1 3.4Å; R1087-D1096 PolarHBondContact NH2-OD1 2.87Å; R1087-D1096 IonicContact NH2-OD2 2.71Å; R1087-D1096 PolarHBondContact NH2-OD2 2.95Å; I1089-D1096 WeakPolarHBondContact CA-O 3.24Å; I1089-D1096 HydrophobicContact CG2-CB 3.9Å; L1090-D1096 PolarHBondContact N-O 2.92Å |
| 1097 | Y | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133 | -165.3 | -178.6 | -100.7 | 0 | 0 | 0 | 114.5 | V1065 S1066 N1071 K1074 N1075 P1082 G1095 | V1065-Y1097 HydrophobicContact CG1-CD2 3.87Å; V1065-Y1097 HydrophobicContact CG1-CG 4.45Å; S1066-Y1097 WeakPolarHBondContact CB-OH 3.36Å; N1071-Y1097 HydrophobicContact CB-CD1 3.58Å; N1071-Y1097 HydrophobicContact CB-CE1 4.04Å; N1071-Y1097 HydrophobicContact CB-CG 3.93Å; N1071-Y1097 VanDerWaalsContact CG-CB 3.49Å; N1071-Y1097 VanDerWaalsContact OD1-CB 3.27Å; N1071-Y1097 WeakPolarHBondContact OD1-CB 3.29Å; K1074-Y1097 HydrophobicContact CB-CD1 4.14Å; K1074-Y1097 HydrophobicContact CB-CE1 4.16Å; K1074-Y1097 HydrophobicContact CD-CD1 4.19Å; K1074-Y1097 PolarHBondContact NZ-O 2.7Å; N1075-Y1097 PolarHBondContact OD1-OH 3.16Å; P1082-Y1097 VanDerWaalsContact CD-OH 3.27Å; P1082-Y1097 WeakPolarHBondContact CD-OH 3.14Å; P1082-Y1097 HydrophobicContact CG-CE2 3.78Å; G1095-Y1097 PolarHBondContact O-N 2.82Å |
| 1098 | I | 95.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.4 | 161.4 | -177.2 | 163.7 | 0 | 0 | 0 | 109.2 | V1088 L1090 A1100 D1129 F1130 M1133 | V1088-I1098 HydrophobicContact CB-CG2 4.16Å; L1090-I1098 HydrophobicContact CD1-CB 4.22Å; L1090-I1098 HydrophobicContact CD1-CG2 4.36Å; L1090-I1098 HydrophobicContact CD2-CG2 4.12Å; L1090-I1098 HydrophobicContact CG-CG2 4.11Å; I1098-A1100 HydrophobicContact CG2-CB 4.29Å; I1098-A1100 PolarHBondContact O-N 2.99Å; I1098-D1129 HydrophobicContact CD1-CB 4.09Å; I1098-F1130 HydrophobicContact CD1-CB 4.1Å; I1098-M1133 HydrophobicContact CD1-CB 4.22Å; I1098-M1133 HydrophobicContact CD1-CE 4.38Å; I1098-M1133 HydrophobicContact CD1-SD 3.94Å; I1098-M1133 HydrophobicContact CG2-SD 4.04Å |
| 1099 | N | 97.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 75 | 174.5 | -167.6 | -35.7 | 0 | 0 | 0 | 111.3 | N1075 I1080 Q1120 R1310 | N1075-N1099 PolarHBondContact OD1-ND2 3.45Å; I1080-N1099 PolarHBondContact O-ND2 3.1Å; N1099-Q1120 HydrophobicContact CB-CB 4.49Å; N1099-Q1120 HydrophobicContact CB-CG 4.05Å; N1099-Q1120 PolarHBondContact O-N 2.99Å; N1099-R1310 PolarHBondContact OD1-NH1 3.34Å; N1099-R1310 VanDerWaalsContact OD1-NH1 3.15Å; N1099-R1310 PolarHBondContact OD1-NH2 2.9Å |
| 1100 | A | 98.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 153.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1087 V1088 I1098 I1117 A1118 A1119 M1133 | R1087-A1100 CarbonylContact C-O 3.58Å; R1087-A1100 WeakPolarHBondContact CA-O 3.42Å; V1088-A1100 HydrophobicContact CB-CB 4.48Å; V1088-A1100 HydrophobicContact CG2-CB 3.99Å; V1088-A1100 PolarHBondContact N-O 3.35Å; I1098-A1100 HydrophobicContact CG2-CB 4.29Å; I1098-A1100 PolarHBondContact O-N 2.99Å; A1100-I1117 HydrophobicContact CB-CG2 3.8Å; A1100-A1118 CarbonylContact C-O 3.35Å; A1100-A1118 WeakPolarHBondContact CA-O 3.42Å; A1100-A1119 HydrophobicContact CB-CB 3.66Å; A1100-M1133 HydrophobicContact CB-CE 4.42Å; A1100-M1133 HydrophobicContact CB-SD 3.49Å; A1100-M1133 WeakPolarHBondContact CB-SD 3.19Å |
| 1101 | S | 98.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.6 | 179.9 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | P1082 T1086 V1103 I1117 A1118 R1310 | P1082-S1101 WeakPolarHBondContact CB-OG 3.42Å; T1086-S1101 CarbonylContact O-C 3.54Å; T1086-S1101 VanDerWaalsContact O-CA 3.31Å; T1086-S1101 WeakPolarHBondContact O-CA 3.3Å; S1101-V1103 PolarHBondContact O-N 2.92Å; S1101-I1117 CarbonylContact O-C 3.57Å; S1101-I1117 WeakPolarHBondContact O-CA 3.42Å; S1101-A1118 PolarHBondContact N-O 3.15Å; S1101-A1118 PolarHBondContact O-N 2.93Å; S1101-R1310 PolarHBondContact OG-NH1 2.76Å; S1101-R1310 VanDerWaalsContact OG-NH1 3.12Å |
| 1102 | F | 98.4 | Very high | 90.4 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 25% | 0.25 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 125.2 | 168.3 | -64.1 | -75.7 | 0 | 0 | 0 | 110.2 | T1086 V1088 Y1116 I1117 Q1137 H1309 | T1086-F1102 PolarHBondContact O-N 2.9Å; V1088-F1102 HydrophobicContact CB-CE2 4.19Å; V1088-F1102 HydrophobicContact CB-CZ 4.31Å; V1088-F1102 HydrophobicContact CG1-CE2 4.15Å; V1088-F1102 HydrophobicContact CG1-CZ 3.88Å; V1088-F1102 HydrophobicContact CG2-CD1 4.48Å; V1088-F1102 HydrophobicContact CG2-CD2 4.18Å; V1088-F1102 HydrophobicContact CG2-CE1 4.22Å; V1088-F1102 HydrophobicContact CG2-CE2 3.92Å; V1088-F1102 HydrophobicContact CG2-CG 4.46Å; V1088-F1102 HydrophobicContact CG2-CZ 3.94Å; F1102-Y1116 WeakPolarHBondContact CA-O 3.43Å; F1102-I1117 HydrophobicContact CD1-CD1 4.37Å; F1102-I1117 HydrophobicContact CD1-CG1 3.77Å; F1102-I1117 HydrophobicContact CE1-CD1 3.99Å; F1102-I1117 HydrophobicContact CE1-CG1 3.9Å; F1102-Q1137 HydrophobicContact CE1-CG 4.37Å; F1102-Q1137 HydrophobicContact CZ-CG 4.34Å; F1102-H1309 WeakPolarHBondContact O-CB 3.28Å; F1102-H1309 PolarHBondContact O-ND1 3.27Å |
| 1103 | V | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 112.5 | 171.9 | -177.3 | 0 | 0 | 0 | 0 | 106.8 | S1101 M1105 Y1116 A1118 I1282 M1306 H1309 R1310 L1313 | S1101-V1103 PolarHBondContact O-N 2.92Å; V1103-M1105 HydrophobicContact CG1-CG 4.4Å; V1103-M1105 HydrophobicContact CG1-SD 4.17Å; V1103-Y1116 PolarHBondContact N-O 3.35Å; V1103-Y1116 WeakPolarHBondContact O-CD2 3.47Å; V1103-Y1116 PolarHBondContact O-N 2.94Å; V1103-A1118 HydrophobicContact CG2-CB 3.81Å; V1103-I1282 HydrophobicContact CG1-CG2 4.43Å; V1103-M1306 HydrophobicContact CG1-CG 4.3Å; V1103-H1309 HydrophobicContact CB-CB 4.09Å; V1103-H1309 HydrophobicContact CG1-CB 4.07Å; V1103-H1309 HydrophobicContact CG2-CB 3.91Å; V1103-R1310 HydrophobicContact CG2-CB 4.17Å; V1103-L1313 HydrophobicContact CG1-CD1 4.41Å; V1103-L1313 HydrophobicContact CG2-CD1 3.92Å |
| 1104 | N | 96.5 | Very high | 92.7 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.8 | 179.6 | -68.3 | 4.6 | 0 | 0 | 0 | 109.1 | E1106 | N1104-E1106 HydrophobicContact CB-CG 4.16Å; N1104-E1106 WeakPolarHBondContact CB-OE1 3.45Å; N1104-E1106 PolarHBondContact ND2-OE1 2.84Å |
| 1105 | M | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 85.6 | 179.3 | -61.7 | -57.9 | -69.2 | 0 | 0 | 108.3 | V1103 F1107 L1114 Y1116 I1282 T1286 L1302 R1305 M1306 | V1103-M1105 HydrophobicContact CG1-CG 4.4Å; V1103-M1105 HydrophobicContact CG1-SD 4.17Å; M1105-F1107 HydrophobicContact CB-CE2 4.16Å; M1105-F1107 HydrophobicContact CE-CE2 4.31Å; M1105-F1107 HydrophobicContact CE-CZ 4.32Å; M1105-L1114 HydrophobicContact CB-CB 4.33Å; M1105-L1114 PolarHBondContact N-O 3.46Å; M1105-L1114 PolarHBondContact O-N 2.98Å; M1105-Y1116 HydrophobicContact CB-CE2 4.23Å; M1105-Y1116 HydrophobicContact CG-CD2 4.32Å; M1105-Y1116 HydrophobicContact CG-CE2 3.85Å; M1105-I1282 HydrophobicContact CG-CG2 4.02Å; M1105-T1286 HydrophobicContact CB-CG2 3.98Å; M1105-T1286 HydrophobicContact CE-CG2 3.99Å; M1105-T1286 HydrophobicContact CG-CG2 4.44Å; M1105-L1302 HydrophobicContact CE-CB 4.39Å; M1105-L1302 HydrophobicContact CE-CD2 4.23Å; M1105-R1305 HydrophobicContact CE-CB 4.06Å; M1105-R1305 HydrophobicContact SD-CB 4.25Å; M1105-M1306 HydrophobicContact CE-CG 3.98Å; M1105-M1306 HydrophobicContact SD-CG 3.68Å |
| 1106 | E | 94 | Very high | 95.1 | Very high | 94 Ų | 94 | 37.7 Ų | 37.7 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.4 | -171.8 | -66.7 | 176 | -154.6 | 0 | 0 | 111.6 | N1104 | N1104-E1106 HydrophobicContact CB-CG 4.16Å; N1104-E1106 WeakPolarHBondContact CB-OE1 3.45Å; N1104-E1106 PolarHBondContact ND2-OE1 2.84Å |
| 1107 | F | 94.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 77.9 | -179.6 | -63.7 | -96.8 | 0 | 0 | 0 | 110.6 | M1105 K1109 C1110 G1111 V1112 T1286 L1290 Y1295 L1302 | M1105-F1107 HydrophobicContact CB-CE2 4.16Å; M1105-F1107 HydrophobicContact CE-CE2 4.31Å; M1105-F1107 HydrophobicContact CE-CZ 4.32Å; F1107-K1109 PolarHBondContact O-N 3.45Å; F1107-C1110 VanDerWaalsContact CB-SG 3.55Å; F1107-C1110 PolarHBondContact O-N 3.22Å; F1107-C1110 PolarHBondContact O-SG 2.88Å; F1107-G1111 PolarHBondContact O-N 2.97Å; F1107-V1112 HydrophobicContact CB-CB 4.34Å; F1107-V1112 HydrophobicContact CD2-CG1 4.47Å; F1107-V1112 PolarHBondContact N-O 3.49Å; F1107-T1286 HydrophobicContact CD2-CG2 4.48Å; F1107-T1286 HydrophobicContact CE2-CG2 3.64Å; F1107-T1286 HydrophobicContact CZ-CG2 4.18Å; F1107-L1290 HydrophobicContact CB-CD2 4Å; F1107-L1290 HydrophobicContact CD1-CD1 4.27Å; F1107-L1290 HydrophobicContact CD1-CD2 3.93Å; F1107-L1290 HydrophobicContact CD2-CD2 3.99Å; F1107-L1290 HydrophobicContact CE1-CD1 3.96Å; F1107-L1290 HydrophobicContact CE1-CD2 4.44Å; F1107-L1290 HydrophobicContact CE2-CD1 4.3Å; F1107-L1290 HydrophobicContact CG-CD2 3.7Å; F1107-L1290 HydrophobicContact CZ-CD1 4Å; F1107-Y1295 HydrophobicContact CD1-CE1 4.21Å; F1107-L1302 HydrophobicContact CE1-CD2 4.08Å; F1107-L1302 HydrophobicContact CE2-CD2 4.42Å; F1107-L1302 HydrophobicContact CZ-CD2 3.48Å; F1107-L1302 VanDerWaalsContact CZ-CD2 3.48Å |
| 1108 | P | 91.4 | Very high | 95.5 | Very high | 122 Ų | 122 | 34.9 Ų | 34.9 | 79% | 0.792 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.2 | -171.6 | -28.4 | 36.2 | 0 | 0 | 0 | 115.4 | C1110 | P1108-C1110 VanDerWaalsContact C-N 3.31Å; P1108-C1110 PolarHBondContact O-N 3.24Å |
| 1109 | K | 89.3 | Confident | 95.7 | Very high | 130 Ų | 130 | 34.6 Ų | 34.6 | 57% | 0.565 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -23.3 | 179 | -70.3 | -168.7 | 178.7 | -173 | 0 | 114.7 | F1026 F1107 Y1295 | F1026-K1109 VanDerWaalsContact CE1-NZ 3.34Å; F1026-K1109 HydrophobicContact CE2-CD 4.33Å; F1026-K1109 HydrophobicContact CZ-CD 4.18Å; F1107-K1109 PolarHBondContact O-N 3.45Å; K1109-Y1295 HydrophobicContact CB-CE2 3.69Å; K1109-Y1295 HydrophobicContact CD-CE2 4.25Å |
| 1110 | C | 91.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 6.7 | 179.7 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | F1107 P1108 V1112 L1290 C1293 Y1295 | F1107-C1110 VanDerWaalsContact CB-SG 3.55Å; F1107-C1110 PolarHBondContact O-N 3.22Å; F1107-C1110 PolarHBondContact O-SG 2.88Å; P1108-C1110 VanDerWaalsContact C-N 3.31Å; P1108-C1110 PolarHBondContact O-N 3.24Å; C1110-V1112 PolarHBondContact O-N 3.31Å; C1110-L1290 VanDerWaalsContact SG-CD2 3.56Å; C1110-C1293 HydrophobicContact CB-CB 3.87Å; C1110-Y1295 HydrophobicContact CB-CD2 3.69Å; C1110-Y1295 HydrophobicContact CB-CE2 4.42Å; C1110-Y1295 HydrophobicContact CB-CG 3.98Å |
| 1111 | G | 91 | Very high | 95.6 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 67% | 0.67 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F1107 N1113 | F1107-G1111 PolarHBondContact O-N 2.97Å; G1111-N1113 PolarHBondContact O-N 3.1Å |
| 1112 | V | 92.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 35 Ų | 35 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 119.6 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 110 | F1107 C1110 L1114 N1289 L1290 C1293 | F1107-V1112 HydrophobicContact CB-CB 4.34Å; F1107-V1112 HydrophobicContact CD2-CG1 4.47Å; F1107-V1112 PolarHBondContact N-O 3.49Å; C1110-V1112 PolarHBondContact O-N 3.31Å; V1112-L1114 HydrophobicContact CG1-CD1 4.25Å; V1112-L1114 HydrophobicContact CG1-CG 4.04Å; V1112-N1289 HydrophobicContact CG1-CB 3.86Å; V1112-N1289 HydrophobicContact CG2-CB 4.24Å; V1112-L1290 HydrophobicContact CB-CD2 4.2Å; V1112-L1290 HydrophobicContact CG1-CD2 4.42Å; V1112-L1290 HydrophobicContact CG2-CD2 4.18Å; V1112-C1293 HydrophobicContact CG2-CB 4.46Å |
| 1113 | N | 94.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 33.5 Ų | 33.5 | 34% | 0.337 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 103.7 | 171.8 | -176.4 | -17 | 0 | 0 | 0 | 108.7 | G1111 R1115 | G1111-N1113 PolarHBondContact O-N 3.1Å; N1113-R1115 WeakPolarHBondContact OD1-CG 3.45Å |
| 1114 | L | 95.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 113 | 178.2 | -59.1 | 173.4 | 0 | 0 | 0 | 109.6 | M1105 V1112 Y1116 E1285 N1289 | M1105-L1114 HydrophobicContact CB-CB 4.33Å; M1105-L1114 PolarHBondContact N-O 3.46Å; M1105-L1114 PolarHBondContact O-N 2.98Å; V1112-L1114 HydrophobicContact CG1-CD1 4.25Å; V1112-L1114 HydrophobicContact CG1-CG 4.04Å; L1114-Y1116 HydrophobicContact CB-CD2 4.37Å; L1114-Y1116 HydrophobicContact CB-CE2 3.48Å; L1114-Y1116 VanDerWaalsContact CB-CE2 3.48Å; L1114-Y1116 WeakPolarHBondContact CD1-OH 3.48Å; L1114-Y1116 WeakPolarHBondContact O-CD2 3.27Å; L1114-Y1116 WeakPolarHBondContact O-CE2 3.5Å; L1114-E1285 HydrophobicContact CD1-CG 4.45Å; L1114-N1289 HydrophobicContact CD1-CB 4.07Å |
| 1115 | R | 97.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137.2 | 177.6 | -55.3 | -161.2 | -61.3 | 172.3 | -0.1 | 110.6 | N1113 R1260 Q1264 P1266 I1267 | N1113-R1115 WeakPolarHBondContact OD1-CG 3.45Å; R1115-R1260 PolarHBondContact O-NH1 3.47Å; R1115-Q1264 PolarHBondContact NE-O 3.42Å; R1115-Q1264 PolarHBondContact NH2-O 2.85Å; R1115-P1266 HydrophobicContact CB-CB 4.18Å; R1115-I1267 PolarHBondContact O-N 3.34Å |
| 1116 | Y | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154.9 | -178.5 | -51.2 | -102.8 | 0 | 0 | 0 | 110.8 | F1102 V1103 M1105 L1114 I1267 V1269 I1282 E1285 T1286 | F1102-Y1116 WeakPolarHBondContact CA-O 3.43Å; V1103-Y1116 PolarHBondContact N-O 3.35Å; V1103-Y1116 WeakPolarHBondContact O-CD2 3.47Å; V1103-Y1116 PolarHBondContact O-N 2.94Å; M1105-Y1116 HydrophobicContact CB-CE2 4.23Å; M1105-Y1116 HydrophobicContact CG-CD2 4.32Å; M1105-Y1116 HydrophobicContact CG-CE2 3.85Å; L1114-Y1116 HydrophobicContact CB-CD2 4.37Å; L1114-Y1116 HydrophobicContact CB-CE2 3.48Å; L1114-Y1116 VanDerWaalsContact CB-CE2 3.48Å; L1114-Y1116 WeakPolarHBondContact CD1-OH 3.48Å; L1114-Y1116 WeakPolarHBondContact O-CD2 3.27Å; L1114-Y1116 WeakPolarHBondContact O-CE2 3.5Å; Y1116-I1267 CarbonylContact C-O 3.58Å; Y1116-I1267 VanDerWaalsContact CA-O 3.31Å; Y1116-I1267 WeakPolarHBondContact CA-O 3.44Å; Y1116-I1267 HydrophobicContact CD1-CD1 4.2Å; Y1116-I1267 HydrophobicContact CD1-CG1 3.89Å; Y1116-I1267 HydrophobicContact CE1-CD1 4.4Å; Y1116-V1269 HydrophobicContact CD1-CG2 3.87Å; Y1116-I1282 HydrophobicContact CD1-CD1 4.27Å; Y1116-I1282 HydrophobicContact CD1-CG1 3.75Å; Y1116-I1282 HydrophobicContact CD2-CG2 4.11Å; Y1116-I1282 HydrophobicContact CE1-CB 4.31Å; Y1116-I1282 HydrophobicContact CE1-CG1 3.75Å; Y1116-I1282 HydrophobicContact CE1-CG2 4.28Å; Y1116-I1282 HydrophobicContact CE2-CG2 3.75Å; Y1116-I1282 HydrophobicContact CG-CD1 4.24Å; Y1116-I1282 HydrophobicContact CG-CG1 4.12Å; Y1116-E1285 VanDerWaalsContact CE1-OE2 3.27Å; Y1116-E1285 WeakPolarHBondContact CE1-OE2 3.44Å; Y1116-E1285 PolarHBondContact OH-OE2 3.24Å; Y1116-T1286 PolarHBondContact OH-OG1 3.46Å |
| 1117 | I | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 107.3 | 164.1 | -70 | 162.2 | 0 | 0 | 0 | 107.2 | V1088 A1100 S1101 F1102 M1133 Q1137 V1139 P1266 I1267 V1268 V1269 | V1088-I1117 HydrophobicContact CG2-CD1 4.37Å; V1088-I1117 HydrophobicContact CG2-CG1 4.12Å; V1088-I1117 HydrophobicContact CG2-CG2 3.77Å; A1100-I1117 HydrophobicContact CB-CG2 3.8Å; S1101-I1117 CarbonylContact O-C 3.57Å; S1101-I1117 WeakPolarHBondContact O-CA 3.42Å; F1102-I1117 HydrophobicContact CD1-CD1 4.37Å; F1102-I1117 HydrophobicContact CD1-CG1 3.77Å; F1102-I1117 HydrophobicContact CE1-CD1 3.99Å; F1102-I1117 HydrophobicContact CE1-CG1 3.9Å; I1117-M1133 HydrophobicContact CG2-CE 3.91Å; I1117-M1133 HydrophobicContact CG2-SD 3.69Å; I1117-Q1137 HydrophobicContact CD1-CB 3.74Å; I1117-Q1137 HydrophobicContact CD1-CG 3.84Å; I1117-V1139 HydrophobicContact CD1-CG2 4.23Å; I1117-P1266 HydrophobicContact CD1-CB 3.94Å; I1117-P1266 HydrophobicContact CD1-CG 3.8Å; I1117-P1266 HydrophobicContact CG1-CB 3.98Å; I1117-P1266 HydrophobicContact CG1-CG 4.35Å; I1117-I1267 PolarHBondContact N-O 2.8Å; I1117-V1268 HydrophobicContact CB-CG2 4.05Å; I1117-V1268 HydrophobicContact CD1-CG2 4.43Å; I1117-V1268 HydrophobicContact CG2-CG2 4.21Å; I1117-V1268 CarbonylContact O-C 3.59Å; I1117-V1268 WeakPolarHBondContact O-CA 3.46Å; I1117-V1269 PolarHBondContact O-N 2.66Å |
| 1118 | A | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | A1100 S1101 V1103 V1269 T1278 I1282 R1310 | A1100-A1118 CarbonylContact C-O 3.35Å; A1100-A1118 WeakPolarHBondContact CA-O 3.42Å; S1101-A1118 PolarHBondContact N-O 3.15Å; S1101-A1118 PolarHBondContact O-N 2.93Å; V1103-A1118 HydrophobicContact CG2-CB 3.81Å; A1118-V1269 WeakPolarHBondContact CA-O 3.38Å; A1118-T1278 HydrophobicContact CB-CG2 3.79Å; A1118-I1282 HydrophobicContact CB-CD1 4.48Å; A1118-R1310 VanDerWaalsContact CB-CD 3.49Å; A1118-R1310 WeakPolarHBondContact O-CD 3.42Å; A1118-R1310 PolarHBondContact O-NE 3.08Å; A1118-R1310 PolarHBondContact O-NH1 3.49Å |
| 1119 | A | 98.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 157 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1100 F1130 M1133 V1268 V1269 H1270 G1274 | A1100-A1119 HydrophobicContact CB-CB 3.66Å; A1119-F1130 HydrophobicContact CB-CE2 4.43Å; A1119-M1133 HydrophobicContact CB-CE 4.4Å; A1119-V1268 HydrophobicContact CB-CG1 4.35Å; A1119-V1269 PolarHBondContact N-O 3.24Å; A1119-V1269 VanDerWaalsContact N-O 3.1Å; A1119-H1270 HydrophobicContact CB-CB 4.31Å; A1119-H1270 WeakPolarHBondContact O-CA 3.48Å; A1119-H1270 WeakPolarHBondContact O-CB 3.45Å; A1119-G1274 WeakPolarHBondContact O-CA 3.28Å |
| 1120 | Q | 96.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 161.4 | 164.5 | 77.6 | 179.5 | 9.2 | 0 | 0 | 111.2 | K1074 N1099 P1122 | K1074-Q1120 PolarHBondContact O-NE2 3.47Å; N1099-Q1120 HydrophobicContact CB-CB 4.49Å; N1099-Q1120 HydrophobicContact CB-CG 4.05Å; N1099-Q1120 PolarHBondContact O-N 2.99Å; Q1120-P1122 WeakPolarHBondContact O-CD 3.39Å |
| 1121 | G | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 119.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1076 C1271 S1272 | R1076-G1121 PolarHBondContact NE-O 2.83Å; R1076-G1121 PolarHBondContact NH2-O 2.83Å; R1076-G1121 VanDerWaalsContact NH2-O 3.16Å; G1121-C1271 VanDerWaalsContact CA-O 3.22Å; G1121-C1271 WeakPolarHBondContact CA-O 3.4Å; G1121-C1271 PolarHBondContact N-O 2.72Å; G1121-S1272 PolarHBondContact N-O 2.75Å |
| 1122 | P | 95 | Very high | 94.3 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -48.8 | 148.1 | -173.2 | -34.4 | 38.5 | 0 | 0 | 0 | 115.2 | R1076 Q1120 F1130 H1157 Y1159 | R1076-P1122 PolarHBondContact NH2-O 3.23Å; Q1120-P1122 WeakPolarHBondContact O-CD 3.39Å; P1122-F1130 HydrophobicContact CG-CB 3.96Å; P1122-F1130 HydrophobicContact CG-CD1 4.06Å; P1122-F1130 HydrophobicContact CG-CD2 3.51Å; P1122-F1130 HydrophobicContact CG-CE1 4.43Å; P1122-F1130 HydrophobicContact CG-CE2 3.91Å; P1122-F1130 HydrophobicContact CG-CG 3.58Å; P1122-F1130 HydrophobicContact CG-CZ 4.35Å; P1122-H1157 VanDerWaalsContact O-CB 3.25Å; P1122-H1157 WeakPolarHBondContact O-CB 3.33Å; P1122-H1157 PolarHBondContact O-N 2.93Å; P1122-Y1159 HydrophobicContact CB-CD1 4.13Å; P1122-Y1159 HydrophobicContact CB-CG 4.48Å; P1122-Y1159 HydrophobicContact CG-CD1 3.66Å; P1122-Y1159 HydrophobicContact CG-CE1 4.13Å; P1122-Y1159 HydrophobicContact CG-CG 4.12Å |
| 1123 | L | 93 | Very high | 94.4 | Very high | 27 Ų | 27 | 23.5 Ų | 23.5 | 14% | 0.141 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -101 | 161.4 | 172 | -60.4 | 161.1 | 0 | 0 | 0 | 109.3 | R1076 N1125 T1126 Y1127 | R1076-L1123 HydrophobicContact CB-CD1 4.48Å; R1076-L1123 HydrophobicContact CB-CD2 4.13Å; R1076-L1123 HydrophobicContact CB-CG 4.46Å; R1076-L1123 HydrophobicContact CG-CD2 4.26Å; L1123-N1125 WeakPolarHBondContact CB-OD1 3.31Å; L1123-N1125 PolarHBondContact O-N 2.82Å; L1123-N1125 VanDerWaalsContact O-N 3.08Å; L1123-T1126 WeakPolarHBondContact CB-OG1 3.3Å; L1123-T1126 PolarHBondContact N-OG1 3.17Å; L1123-T1126 PolarHBondContact O-N 3.4Å; L1123-T1126 PolarHBondContact O-OG1 3.21Å; L1123-Y1127 PolarHBondContact O-N 2.98Å; L1123-Y1127 VanDerWaalsContact O-N 3.09Å |
| 1124 | P | 89.2 | Confident | 94.5 | Very high | 88 Ų | 88 | 20.6 Ų | 20.6 | 57% | 0.571 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.1 | 176.3 | -25.1 | 34.7 | 0 | 0 | 0 | 114.2 | Y1127 H1157 | P1124-Y1127 VanDerWaalsContact O-CD1 3.29Å; P1124-Y1127 WeakPolarHBondContact O-CD1 3.33Å; P1124-Y1127 WeakPolarHBondContact O-CE1 3.4Å; P1124-H1157 HydrophobicContact CG-CB 4.47Å |
| 1125 | N | 88.6 | Confident | 94.4 | Very high | 83 Ų | 83 | 20.9 Ų | 20.9 | 44% | 0.444 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -2.4 | 177.3 | 68 | -17.9 | 0 | 0 | 0 | 114.9 | I1073 L1123 | I1073-N1125 PolarHBondContact O-ND2 3.13Å; L1123-N1125 WeakPolarHBondContact CB-OD1 3.31Å; L1123-N1125 PolarHBondContact O-N 2.82Å; L1123-N1125 VanDerWaalsContact O-N 3.08Å |
| 1126 | T | 91.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -0.1 | -176.2 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | K1074 L1123 G1128 D1129 F1130 | K1074-T1126 HydrophobicContact CB-CG2 3.63Å; K1074-T1126 HydrophobicContact CD-CG2 4.09Å; K1074-T1126 HydrophobicContact CG-CG2 3.74Å; L1123-T1126 WeakPolarHBondContact CB-OG1 3.3Å; L1123-T1126 PolarHBondContact N-OG1 3.17Å; L1123-T1126 PolarHBondContact O-N 3.4Å; L1123-T1126 PolarHBondContact O-OG1 3.21Å; T1126-G1128 VanDerWaalsContact C-N 3.3Å; T1126-G1128 PolarHBondContact O-N 3.24Å; T1126-D1129 WeakPolarHBondContact O-CB 3.22Å; T1126-D1129 PolarHBondContact O-N 3.03Å; T1126-F1130 PolarHBondContact O-N 3Å |
| 1127 | Y | 91.4 | Very high | 94 | Very high | 68 Ų | 68 | 19.4 Ų | 19.4 | 27% | 0.267 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -68.2 | -27.2 | 178.3 | 84.1 | -65.6 | 0 | 0 | 0 | 113.7 | L1123 P1124 F1130 W1131 F1169 | L1123-Y1127 PolarHBondContact O-N 2.98Å; L1123-Y1127 VanDerWaalsContact O-N 3.09Å; P1124-Y1127 VanDerWaalsContact O-CD1 3.29Å; P1124-Y1127 WeakPolarHBondContact O-CD1 3.33Å; P1124-Y1127 WeakPolarHBondContact O-CE1 3.4Å; Y1127-F1130 WeakPolarHBondContact O-CB 3.34Å; Y1127-F1130 PolarHBondContact O-N 3.15Å; Y1127-W1131 VanDerWaalsContact O-CD1 3.28Å; Y1127-W1131 PolarHBondContact O-N 3.03Å; Y1127-W1131 VanDerWaalsContact O-N 3.11Å; Y1127-F1169 HydrophobicContact CD2-CE1 4.09Å; Y1127-F1169 HydrophobicContact CD2-CZ 4.3Å; Y1127-F1169 AromaticContact CE2-CD1 3.98Å; Y1127-F1169 HydrophobicContact CE2-CD1 3.98Å; Y1127-F1169 AromaticContact CE2-CE1 3.24Å; Y1127-F1169 HydrophobicContact CE2-CE1 3.24Å; Y1127-F1169 AromaticContact CE2-CZ 3.78Å; Y1127-F1169 HydrophobicContact CE2-CZ 3.78Å; Y1127-F1169 AromaticContact CZ-CE1 3.7Å |
| 1128 | G | 90.3 | Very high | 93.8 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 26% | 0.258 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.2 | -48 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1126 F1130 W1131 Q1132 | T1126-G1128 VanDerWaalsContact C-N 3.3Å; T1126-G1128 PolarHBondContact O-N 3.24Å; G1128-F1130 PolarHBondContact O-N 3.13Å; G1128-W1131 PolarHBondContact O-N 3.01Å; G1128-Q1132 PolarHBondContact O-N 2.94Å |
| 1129 | D | 92.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 8% | 0.08 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.3 | -36.4 | 173.1 | -60.8 | -22 | 0 | 0 | 0 | 111.6 | K1074 L1090 I1098 T1126 M1133 | K1074-D1129 WeakPolarHBondContact CE-OD2 3.34Å; K1074-D1129 IonicContact NZ-OD1 3.24Å; K1074-D1129 PolarHBondContact NZ-OD1 2.98Å; K1074-D1129 IonicContact NZ-OD2 2.9Å; K1074-D1129 PolarHBondContact NZ-OD2 3.14Å; L1090-D1129 HydrophobicContact CD1-CB 3.87Å; I1098-D1129 HydrophobicContact CD1-CB 4.09Å; T1126-D1129 WeakPolarHBondContact O-CB 3.22Å; T1126-D1129 PolarHBondContact O-N 3.03Å; D1129-M1133 WeakPolarHBondContact O-CB 3.47Å; D1129-M1133 PolarHBondContact O-N 3.33Å |
| 1130 | F | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.8 | -40.2 | 178.3 | -179.3 | -89 | 0 | 0 | 0 | 112.8 | I1098 A1119 P1122 T1126 Y1127 G1128 M1133 C1134 I1142 Y1159 V1268 | I1098-F1130 HydrophobicContact CD1-CB 4.1Å; A1119-F1130 HydrophobicContact CB-CE2 4.43Å; P1122-F1130 HydrophobicContact CG-CB 3.96Å; P1122-F1130 HydrophobicContact CG-CD1 4.06Å; P1122-F1130 HydrophobicContact CG-CD2 3.51Å; P1122-F1130 HydrophobicContact CG-CE1 4.43Å; P1122-F1130 HydrophobicContact CG-CE2 3.91Å; P1122-F1130 HydrophobicContact CG-CG 3.58Å; P1122-F1130 HydrophobicContact CG-CZ 4.35Å; T1126-F1130 PolarHBondContact O-N 3Å; Y1127-F1130 WeakPolarHBondContact O-CB 3.34Å; Y1127-F1130 PolarHBondContact O-N 3.15Å; G1128-F1130 PolarHBondContact O-N 3.13Å; F1130-M1133 HydrophobicContact CD2-CE 3.77Å; F1130-M1133 HydrophobicContact CE2-CE 3.95Å; F1130-M1133 HydrophobicContact CG-CE 4.46Å; F1130-M1133 WeakPolarHBondContact O-CB 3.44Å; F1130-M1133 PolarHBondContact O-N 3.01Å; F1130-C1134 PolarHBondContact O-N 3.18Å; F1130-C1134 PolarHBondContact O-SG 2.72Å; F1130-I1142 HydrophobicContact CE1-CD1 4.14Å; F1130-I1142 HydrophobicContact CZ-CG2 4.11Å; F1130-Y1159 HydrophobicContact CD1-CD2 4.04Å; F1130-Y1159 HydrophobicContact CD1-CE2 4.22Å; F1130-Y1159 HydrophobicContact CD1-CG 4.43Å; F1130-Y1159 AromaticContact CE1-CD2 3.75Å; F1130-Y1159 HydrophobicContact CE1-CD2 3.75Å; F1130-Y1159 HydrophobicContact CE1-CE1 4.43Å; F1130-Y1159 AromaticContact CE1-CE2 3.45Å; F1130-Y1159 HydrophobicContact CE1-CE2 3.45Å; F1130-Y1159 VanDerWaalsContact CE1-CE2 3.45Å; F1130-Y1159 HydrophobicContact CE1-CG 4.37Å; F1130-Y1159 AromaticContact CE1-CZ 3.82Å; F1130-Y1159 HydrophobicContact CZ-CE1 4.49Å; F1130-Y1159 HydrophobicContact CZ-CE2 4.09Å; F1130-Y1159 AromaticContact CZ-CZ 3.98Å; F1130-V1268 HydrophobicContact CE2-CG1 3.82Å; F1130-V1268 HydrophobicContact CZ-CG1 3.86Å |
| 1131 | W | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.3 | -34.3 | 173.6 | -74.8 | 115.2 | 0 | 0 | 0 | 113 | Y1127 G1128 M1133 C1134 W1135 I1142 Y1159 F1169 L1188 F1204 I1206 I1229 | Y1127-W1131 VanDerWaalsContact O-CD1 3.28Å; Y1127-W1131 PolarHBondContact O-N 3.03Å; Y1127-W1131 VanDerWaalsContact O-N 3.11Å; G1128-W1131 PolarHBondContact O-N 3.01Å; W1131-M1133 VanDerWaalsContact C-N 3.33Å; W1131-C1134 HydrophobicContact CE3-CB 4.02Å; W1131-C1134 HydrophobicContact CZ3-CB 4.42Å; W1131-C1134 PolarHBondContact O-N 2.62Å; W1131-W1135 WeakPolarHBondContact O-CB 3.41Å; W1131-W1135 PolarHBondContact O-N 3.13Å; W1131-I1142 HydrophobicContact CH2-CD1 3.63Å; W1131-I1142 HydrophobicContact CZ3-CD1 3.72Å; W1131-Y1159 AromaticContact CE2-CD2 3.85Å; W1131-Y1159 HydrophobicContact CH2-CE2 4.45Å; W1131-Y1159 AromaticContact CZ2-CD2 3.59Å; W1131-Y1159 HydrophobicContact CZ2-CD2 3.59Å; W1131-Y1159 AromaticContact CZ2-CE2 3.89Å; W1131-Y1159 HydrophobicContact CZ2-CE2 3.89Å; W1131-Y1159 AromaticContact NE1-CD2 3.84Å; W1131-Y1159 PolarHBondContact NE1-O 2.89Å; W1131-F1169 HydrophobicContact CB-CD2 4.1Å; W1131-F1169 HydrophobicContact CB-CE2 4.27Å; W1131-F1169 AromaticContact CD1-CE2 3.45Å; W1131-F1169 VanDerWaalsContact CD1-CE2 3.45Å; W1131-F1169 HydrophobicContact CG-CD2 4.26Å; W1131-F1169 AromaticContact CG-CE2 3.93Å; W1131-F1169 HydrophobicContact CG-CE2 3.93Å; W1131-L1188 HydrophobicContact CD2-CD1 4.19Å; W1131-L1188 HydrophobicContact CD2-CD2 3.92Å; W1131-L1188 HydrophobicContact CE3-CD1 4.03Å; W1131-L1188 HydrophobicContact CG-CD2 4.36Å; W1131-L1188 HydrophobicContact CH2-CD1 3.92Å; W1131-L1188 HydrophobicContact CH2-CD2 4.19Å; W1131-L1188 HydrophobicContact CZ2-CD1 4.06Å; W1131-L1188 HydrophobicContact CZ2-CD2 3.48Å; W1131-L1188 VanDerWaalsContact CZ2-CD2 3.48Å; W1131-L1188 HydrophobicContact CZ2-CG 4.43Å; W1131-L1188 HydrophobicContact CZ3-CD1 3.9Å; W1131-F1204 AromaticContact CH2-CD2 3.6Å; W1131-F1204 HydrophobicContact CH2-CD2 3.6Å; W1131-F1204 AromaticContact CH2-CE2 3.84Å; W1131-F1204 HydrophobicContact CH2-CE2 3.84Å; W1131-F1204 HydrophobicContact CH2-CG 4.15Å; W1131-F1204 HydrophobicContact CZ2-CD2 4.39Å; W1131-F1204 HydrophobicContact CZ2-CE2 4.36Å; W1131-F1204 HydrophobicContact CZ3-CD2 4.44Å; W1131-I1206 HydrophobicContact CB-CD1 4.35Å; W1131-I1206 HydrophobicContact CE3-CD1 4Å; W1131-I1229 HydrophobicContact CZ3-CD1 4.1Å |
| 1132 | Q | 92.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 2% | 0.023 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | 167.5 | 179.4 | -175.5 | -13.2 | 0 | 0 | 110.9 | L1090 Q1092 G1128 C1134 W1135 E1136 V1171 L1186 | L1090-Q1132 HydrophobicContact CD2-CG 4.2Å; Q1092-Q1132 VanDerWaalsContact N-NE2 3.14Å; Q1092-Q1132 PolarHBondContact O-NE2 2.88Å; G1128-Q1132 PolarHBondContact O-N 2.94Å; Q1132-C1134 VanDerWaalsContact C-N 3.35Å; Q1132-C1134 PolarHBondContact O-N 3.2Å; Q1132-W1135 PolarHBondContact O-N 3.44Å; Q1132-E1136 HydrophobicContact CG-CG 4.23Å; Q1132-E1136 WeakPolarHBondContact CG-OE1 3.16Å; Q1132-E1136 PolarHBondContact NE2-OE1 3.43Å; Q1132-E1136 WeakPolarHBondContact O-CB 3.44Å; Q1132-E1136 WeakPolarHBondContact O-CG 3.17Å; Q1132-E1136 PolarHBondContact O-N 3.08Å; Q1132-V1171 HydrophobicContact CB-CG1 3.94Å; Q1132-V1171 HydrophobicContact CG-CG1 3.47Å; Q1132-V1171 VanDerWaalsContact CG-CG1 3.47Å; Q1132-V1171 VanDerWaalsContact OE1-CG1 3.3Å; Q1132-L1186 HydrophobicContact CB-CD1 4.45Å |
| 1133 | M | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 174.8 | -174.6 | -171.6 | 66.9 | 0 | 0 | 111.5 | V1088 L1090 I1098 A1100 I1117 A1119 D1129 F1130 W1131 W1135 Q1137 V1268 | V1088-M1133 HydrophobicContact CB-CG 4.28Å; V1088-M1133 HydrophobicContact CB-SD 4.21Å; V1088-M1133 HydrophobicContact CG1-CG 3.83Å; V1088-M1133 HydrophobicContact CG1-SD 4.41Å; V1088-M1133 HydrophobicContact CG2-CG 4.45Å; V1088-M1133 HydrophobicContact CG2-SD 4.05Å; L1090-M1133 HydrophobicContact CD2-CB 3.99Å; I1098-M1133 HydrophobicContact CD1-CB 4.22Å; I1098-M1133 HydrophobicContact CD1-CE 4.38Å; I1098-M1133 HydrophobicContact CD1-SD 3.94Å; I1098-M1133 HydrophobicContact CG2-SD 4.04Å; A1100-M1133 HydrophobicContact CB-CE 4.42Å; A1100-M1133 HydrophobicContact CB-SD 3.49Å; A1100-M1133 WeakPolarHBondContact CB-SD 3.19Å; I1117-M1133 HydrophobicContact CG2-CE 3.91Å; I1117-M1133 HydrophobicContact CG2-SD 3.69Å; A1119-M1133 HydrophobicContact CB-CE 4.4Å; D1129-M1133 WeakPolarHBondContact O-CB 3.47Å; D1129-M1133 PolarHBondContact O-N 3.33Å; F1130-M1133 HydrophobicContact CD2-CE 3.77Å; F1130-M1133 HydrophobicContact CE2-CE 3.95Å; F1130-M1133 HydrophobicContact CG-CE 4.46Å; F1130-M1133 WeakPolarHBondContact O-CB 3.44Å; F1130-M1133 PolarHBondContact O-N 3.01Å; W1131-M1133 VanDerWaalsContact C-N 3.33Å; M1133-W1135 VanDerWaalsContact C-N 3.33Å; M1133-W1135 PolarHBondContact O-N 3.46Å; M1133-Q1137 HydrophobicContact CG-CG 4.47Å; M1133-Q1137 WeakPolarHBondContact O-CB 3.45Å; M1133-Q1137 VanDerWaalsContact O-CG 3.29Å; M1133-Q1137 WeakPolarHBondContact O-CG 3.44Å; M1133-Q1137 PolarHBondContact O-N 2.8Å; M1133-V1268 HydrophobicContact CE-CG1 4.32Å; M1133-V1268 HydrophobicContact CE-CG2 3.83Å |
| 1134 | C | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 177.4 | -66 | 0 | 0 | 0 | 0 | 112.3 | F1130 W1131 Q1132 Q1138 V1139 I1229 | F1130-C1134 PolarHBondContact O-N 3.18Å; F1130-C1134 PolarHBondContact O-SG 2.72Å; W1131-C1134 HydrophobicContact CE3-CB 4.02Å; W1131-C1134 HydrophobicContact CZ3-CB 4.42Å; W1131-C1134 PolarHBondContact O-N 2.62Å; Q1132-C1134 VanDerWaalsContact C-N 3.35Å; Q1132-C1134 PolarHBondContact O-N 3.2Å; C1134-Q1138 PolarHBondContact O-N 2.93Å; C1134-V1139 HydrophobicContact CB-CB 4.06Å; C1134-V1139 HydrophobicContact CB-CG2 4.33Å; C1134-V1139 PolarHBondContact O-N 2.83Å; C1134-I1229 HydrophobicContact CB-CD1 4.26Å |
| 1135 | W | 93.4 | Very high | 94.4 | Very high | 16 Ų | 16 | 20.6 Ų | 20.6 | 6% | 0.061 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.2 | -49.8 | 176.1 | -176.8 | -101.1 | 0 | 0 | 0 | 112.8 | W1131 Q1132 M1133 Q1137 Q1138 L1186 I1206 Q1208 E1225 R1227 | W1131-W1135 WeakPolarHBondContact O-CB 3.41Å; W1131-W1135 PolarHBondContact O-N 3.13Å; Q1132-W1135 PolarHBondContact O-N 3.44Å; M1133-W1135 VanDerWaalsContact C-N 3.33Å; M1133-W1135 PolarHBondContact O-N 3.46Å; W1135-Q1137 VanDerWaalsContact C-N 3.29Å; W1135-Q1137 PolarHBondContact O-N 3.16Å; W1135-Q1138 PolarHBondContact O-N 2.87Å; W1135-L1186 HydrophobicContact CB-CD1 3.79Å; W1135-L1186 HydrophobicContact CB-CD2 4.04Å; W1135-L1186 HydrophobicContact CD2-CD2 3.53Å; W1135-L1186 HydrophobicContact CE3-CD2 3.85Å; W1135-L1186 HydrophobicContact CG-CD1 4.12Å; W1135-L1186 HydrophobicContact CG-CD2 3.59Å; W1135-I1206 HydrophobicContact CB-CD1 4.45Å; W1135-I1206 HydrophobicContact CE3-CD1 4.3Å; W1135-I1206 HydrophobicContact CE3-CG1 4.09Å; W1135-I1206 HydrophobicContact CE3-CG2 3.91Å; W1135-I1206 HydrophobicContact CZ3-CG2 4.09Å; W1135-Q1208 HydrophobicContact CH2-CB 4.12Å; W1135-Q1208 HydrophobicContact CZ2-CB 3.6Å; W1135-E1225 HydrophobicContact CH2-CB 3.93Å; W1135-E1225 HydrophobicContact CH2-CG 3.98Å; W1135-E1225 WeakPolarHBondContact CH2-O 3.38Å; W1135-E1225 HydrophobicContact CZ2-CB 4.3Å; W1135-R1227 HydrophobicContact CH2-CG 4.33Å; W1135-R1227 HydrophobicContact CZ3-CB 4.36Å; W1135-R1227 HydrophobicContact CZ3-CG 3.88Å; W1135-R1227 PolarHBondContact O-NH1 3.4Å |
| 1136 | E | 93.1 | Very high | 94.6 | Very high | 27 Ų | 27 | 16.7 Ų | 16.7 | 13% | 0.126 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.5 | -28.3 | -177 | -73 | -173.6 | -169.3 | 0 | 0 | 113.2 | K1091 Q1092 Q1132 | K1091-E1136 WeakPolarHBondContact CB-OE2 3.35Å; K1091-E1136 WeakPolarHBondContact CG-OE2 3.17Å; K1091-E1136 PolarHBondContact N-OE1 3.09Å; K1091-E1136 VanDerWaalsContact N-OE1 3.07Å; K1091-E1136 PolarHBondContact N-OE2 3.03Å; Q1092-E1136 PolarHBondContact N-OE1 2.95Å; Q1132-E1136 HydrophobicContact CG-CG 4.23Å; Q1132-E1136 WeakPolarHBondContact CG-OE1 3.16Å; Q1132-E1136 PolarHBondContact NE2-OE1 3.43Å; Q1132-E1136 WeakPolarHBondContact O-CB 3.44Å; Q1132-E1136 WeakPolarHBondContact O-CG 3.17Å; Q1132-E1136 PolarHBondContact O-N 3.08Å |
| 1137 | Q | 95.2 | Very high | 94.5 | Very high | 35 Ų | 35 | 17.3 Ų | 17.3 | 16% | 0.164 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 7.8 | -179.2 | -53.1 | -56.7 | -34.2 | 0 | 0 | 113.8 | V1088 F1102 I1117 M1133 W1135 V1139 P1266 | V1088-Q1137 HydrophobicContact CG1-CG 3.96Å; F1102-Q1137 HydrophobicContact CE1-CG 4.37Å; F1102-Q1137 HydrophobicContact CZ-CG 4.34Å; I1117-Q1137 HydrophobicContact CD1-CB 3.74Å; I1117-Q1137 HydrophobicContact CD1-CG 3.84Å; M1133-Q1137 HydrophobicContact CG-CG 4.47Å; M1133-Q1137 WeakPolarHBondContact O-CB 3.45Å; M1133-Q1137 VanDerWaalsContact O-CG 3.29Å; M1133-Q1137 WeakPolarHBondContact O-CG 3.44Å; M1133-Q1137 PolarHBondContact O-N 2.8Å; W1135-Q1137 VanDerWaalsContact C-N 3.29Å; W1135-Q1137 PolarHBondContact O-N 3.16Å; Q1137-V1139 VanDerWaalsContact C-N 3.27Å; Q1137-V1139 HydrophobicContact CB-CG2 4.11Å; Q1137-V1139 PolarHBondContact O-N 3.33Å; Q1137-P1266 HydrophobicContact CB-CG 4.18Å |
| 1138 | Q | 94.9 | Very high | 94.4 | Very high | 112 Ų | 112 | 17.2 Ų | 17.2 | 52% | 0.523 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 39.3 | 178.7 | -55.4 | -176.8 | -61.1 | 0 | 0 | 113.7 | C1134 W1135 C1140 T1265 | C1134-Q1138 PolarHBondContact O-N 2.93Å; W1135-Q1138 PolarHBondContact O-N 2.87Å; Q1138-C1140 PolarHBondContact O-N 3.27Å; Q1138-T1265 HydrophobicContact CB-CG2 3.93Å; Q1138-T1265 VanDerWaalsContact O-CB 3.29Å; Q1138-T1265 WeakPolarHBondContact O-CB 3.2Å; Q1138-T1265 WeakPolarHBondContact O-CG2 3.47Å |
| 1139 | V | 96.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | trans | -66.3 | 123.3 | -177 | 176.6 | 0 | 0 | 0 | 0 | 110 | I1117 C1134 Q1137 L1141 I1142 I1229 V1268 | I1117-V1139 HydrophobicContact CD1-CG2 4.23Å; C1134-V1139 HydrophobicContact CB-CB 4.06Å; C1134-V1139 HydrophobicContact CB-CG2 4.33Å; C1134-V1139 PolarHBondContact O-N 2.83Å; Q1137-V1139 VanDerWaalsContact C-N 3.27Å; Q1137-V1139 HydrophobicContact CB-CG2 4.11Å; Q1137-V1139 PolarHBondContact O-N 3.33Å; V1139-L1141 WeakPolarHBondContact CG1-O 3.43Å; V1139-I1142 HydrophobicContact CG1-CG1 4.07Å; V1139-I1229 VanDerWaalsContact O-CD1 3.25Å; V1139-I1229 WeakPolarHBondContact O-CD1 3.31Å; V1139-I1229 VanDerWaalsContact O-CG1 3.3Å; V1139-I1229 WeakPolarHBondContact O-CG1 3.37Å; V1139-V1268 HydrophobicContact CB-CG2 4.4Å; V1139-V1268 HydrophobicContact CG1-CB 4.3Å; V1139-V1268 HydrophobicContact CG1-CG2 3.8Å; V1139-V1268 HydrophobicContact CG2-CG2 3.76Å | ||
| 1140 | C | 95.4 | Very high | 93.1 | Very high | 37 Ų | 37 | 20 Ų | 20 | 25% | 0.25 | 11% | 0.11 | C | C | . | . | trans | -101.1 | -18.2 | 176.6 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | Q1138 S1230 T1265 | Q1138-C1140 PolarHBondContact O-N 3.27Å; C1140-S1230 PolarHBondContact O-N 3.46Å; C1140-T1265 PolarHBondContact SG-OG1 3.22Å; C1140-T1265 VanDerWaalsContact SG-OG1 3.38Å | ||
| 1141 | L | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134.3 | -179.3 | 175.1 | 61.5 | 0 | 0 | 0 | 110.8 | V1139 V1143 S1230 L1232 V1256 I1259 I1267 V1268 | V1139-L1141 WeakPolarHBondContact CG1-O 3.43Å; L1141-V1143 HydrophobicContact CD1-CG2 4.48Å; L1141-V1143 HydrophobicContact CD2-CG2 4.25Å; L1141-V1143 HydrophobicContact CG-CG2 4.1Å; L1141-S1230 CarbonylContact C-O 3.56Å; L1141-S1230 WeakPolarHBondContact CA-O 3.31Å; L1141-L1232 HydrophobicContact CD1-CD1 4.29Å; L1141-L1232 HydrophobicContact CD1-CG 4.25Å; L1141-V1256 HydrophobicContact CD2-CG1 4.02Å; L1141-I1259 HydrophobicContact CB-CG2 4.4Å; L1141-I1259 HydrophobicContact CD1-CG2 4.01Å; L1141-I1259 HydrophobicContact CD2-CB 4.15Å; L1141-I1259 HydrophobicContact CD2-CG2 4.15Å; L1141-I1259 HydrophobicContact CG-CG2 4.42Å; L1141-I1267 HydrophobicContact CB-CB 4.19Å; L1141-I1267 HydrophobicContact CB-CG2 3.87Å; L1141-I1267 HydrophobicContact CD2-CD1 4.17Å; L1141-I1267 HydrophobicContact CD2-CG2 4.31Å; L1141-I1267 HydrophobicContact CG-CB 4.49Å; L1141-I1267 HydrophobicContact CG-CG2 4.43Å; L1141-I1267 WeakPolarHBondContact O-CA 3.4Å; L1141-I1267 WeakPolarHBondContact O-CB 3.47Å; L1141-V1268 PolarHBondContact O-N 2.92Å |
| 1142 | I | 98.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132 | 171.5 | -55.5 | 167.8 | 0 | 0 | 0 | 108.4 | F1130 W1131 V1139 Y1159 I1229 S1230 Q1231 L1232 V1268 | F1130-I1142 HydrophobicContact CE1-CD1 4.14Å; F1130-I1142 HydrophobicContact CZ-CG2 4.11Å; W1131-I1142 HydrophobicContact CH2-CD1 3.63Å; W1131-I1142 HydrophobicContact CZ3-CD1 3.72Å; V1139-I1142 HydrophobicContact CG1-CG1 4.07Å; I1142-Y1159 WeakPolarHBondContact CG2-OH 3.49Å; I1142-I1229 HydrophobicContact CD1-CG2 3.84Å; I1142-I1229 HydrophobicContact CG1-CG2 3.97Å; I1142-S1230 PolarHBondContact N-O 2.65Å; I1142-Q1231 HydrophobicContact CB-CB 4.3Å; I1142-Q1231 HydrophobicContact CB-CG 4.3Å; I1142-Q1231 HydrophobicContact CG2-CG 4.42Å; I1142-Q1231 CarbonylContact O-C 3.48Å; I1142-Q1231 VanDerWaalsContact O-CA 3.22Å; I1142-Q1231 WeakPolarHBondContact O-CA 3.39Å; I1142-L1232 PolarHBondContact O-N 3.35Å; I1142-V1268 CarbonylContact C-O 3.56Å; I1142-V1268 WeakPolarHBondContact CA-O 3.42Å; I1142-V1268 HydrophobicContact CG1-CB 4.32Å; I1142-V1268 HydrophobicContact CG2-CB 4.25Å; I1142-V1268 HydrophobicContact CG2-CG1 4.19Å |
| 1143 | V | 98.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 112.6 | 177.3 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | L1141 L1145 L1232 F1252 V1256 I1267 V1268 V1269 H1270 L1281 | L1141-V1143 HydrophobicContact CD1-CG2 4.48Å; L1141-V1143 HydrophobicContact CD2-CG2 4.25Å; L1141-V1143 HydrophobicContact CG-CG2 4.1Å; V1143-L1145 HydrophobicContact CG1-CD2 3.71Å; V1143-L1145 HydrophobicContact CG1-CG 4.23Å; V1143-L1232 CarbonylContact C-O 3.58Å; V1143-L1232 WeakPolarHBondContact CA-O 3.31Å; V1143-F1252 HydrophobicContact CG1-CE1 3.65Å; V1143-F1252 HydrophobicContact CG1-CZ 3.8Å; V1143-V1256 HydrophobicContact CG1-CG2 4.26Å; V1143-V1256 HydrophobicContact CG2-CG1 4.19Å; V1143-V1256 HydrophobicContact CG2-CG2 3.85Å; V1143-I1267 HydrophobicContact CG2-CD1 4.03Å; V1143-V1268 PolarHBondContact N-O 3.36Å; V1143-V1269 HydrophobicContact CB-CG1 4.3Å; V1143-V1269 HydrophobicContact CB-CG2 4.24Å; V1143-V1269 HydrophobicContact CG2-CG2 4.46Å; V1143-V1269 WeakPolarHBondContact O-CA 3.35Å; V1143-H1270 PolarHBondContact O-N 3.22Å; V1143-L1281 HydrophobicContact CB-CD2 4.25Å; V1143-L1281 HydrophobicContact CG1-CD2 3.76Å |
| 1144 | M | 97.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 109 | -176.4 | 178 | 163.6 | -178.8 | 0 | 0 | 110.3 | T1146 C1156 Y1159 W1160 L1232 Q1233 Y1234 H1270 | M1144-T1146 HydrophobicContact CE-CG2 3.99Å; M1144-T1146 WeakPolarHBondContact CE-O 3.27Å; M1144-T1146 HydrophobicContact CG-CG2 4.22Å; M1144-T1146 PolarHBondContact O-N 3Å; M1144-C1156 HydrophobicContact CE-CB 3.61Å; M1144-C1156 VanDerWaalsContact CE-SG 3.59Å; M1144-Y1159 HydrophobicContact SD-CE1 4Å; M1144-W1160 HydrophobicContact CE-CH2 3.88Å; M1144-W1160 HydrophobicContact CE-CZ3 4.05Å; M1144-W1160 HydrophobicContact SD-CH2 3.68Å; M1144-W1160 HydrophobicContact SD-CZ3 3.56Å; M1144-W1160 VanDerWaalsContact SD-CZ3 3.56Å; M1144-L1232 PolarHBondContact N-O 3.31Å; M1144-Q1233 HydrophobicContact CB-CB 4.06Å; M1144-Q1233 HydrophobicContact CB-CG 4.08Å; M1144-Q1233 HydrophobicContact CG-CB 4.43Å; M1144-Q1233 HydrophobicContact CG-CG 3.92Å; M1144-Q1233 CarbonylContact O-C 3.6Å; M1144-Q1233 WeakPolarHBondContact O-CA 3.15Å; M1144-Q1233 HydrophobicContact SD-CG 4.34Å; M1144-Y1234 PolarHBondContact O-N 2.73Å; M1144-H1270 WeakPolarHBondContact CB-NE2 3.42Å; M1144-H1270 WeakPolarHBondContact CG-CE1 3.39Å; M1144-H1270 WeakPolarHBondContact CG-NE2 3.43Å |
| 1145 | L | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -100.2 | 33.1 | -173 | -55.9 | 177.1 | 0 | 0 | 0 | 112.2 | V1143 W1237 F1252 V1269 H1270 C1271 R1277 L1281 | V1143-L1145 HydrophobicContact CG1-CD2 3.71Å; V1143-L1145 HydrophobicContact CG1-CG 4.23Å; L1145-W1237 HydrophobicContact CB-CE3 4.23Å; L1145-W1237 HydrophobicContact CB-CZ3 4.49Å; L1145-W1237 HydrophobicContact CD1-CH2 4.44Å; L1145-W1237 HydrophobicContact CD1-CZ3 3.99Å; L1145-W1237 HydrophobicContact CD2-CE3 4.04Å; L1145-W1237 HydrophobicContact CD2-CZ3 3.87Å; L1145-W1237 HydrophobicContact CG-CE3 4.5Å; L1145-W1237 HydrophobicContact CG-CZ3 4.34Å; L1145-F1252 HydrophobicContact CD2-CE1 3.82Å; L1145-F1252 HydrophobicContact CD2-CZ 4.21Å; L1145-V1269 HydrophobicContact CD1-CG1 3.91Å; L1145-H1270 PolarHBondContact N-O 2.97Å; L1145-C1271 HydrophobicContact CB-CB 4.27Å; L1145-R1277 HydrophobicContact CB-CB 3.98Å; L1145-R1277 HydrophobicContact CD1-CB 4.06Å; L1145-R1277 WeakPolarHBondContact CD1-O 3.43Å; L1145-R1277 WeakPolarHBondContact O-CD 3.17Å; L1145-R1277 PolarHBondContact O-NH1 2.98Å; L1145-L1281 HydrophobicContact CD1-CB 3.82Å; L1145-L1281 HydrophobicContact CD1-CD2 4.34Å; L1145-L1281 HydrophobicContact CD1-CG 4.47Å; L1145-L1281 HydrophobicContact CD2-CD1 4.26Å | ||
| 1146 | T | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -156.4 | 155.2 | -172.5 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | M1144 E1150 K1155 C1156 Q1233 Y1234 R1277 | M1144-T1146 HydrophobicContact CE-CG2 3.99Å; M1144-T1146 WeakPolarHBondContact CE-O 3.27Å; M1144-T1146 HydrophobicContact CG-CG2 4.22Å; M1144-T1146 PolarHBondContact O-N 3Å; T1146-E1150 WeakPolarHBondContact CA-OE1 3.47Å; T1146-E1150 WeakPolarHBondContact CB-OE1 3.24Å; T1146-E1150 PolarHBondContact OG1-OE1 3.22Å; T1146-K1155 WeakPolarHBondContact OG1-CB 3.25Å; T1146-C1156 HydrophobicContact CG2-CB 4.05Å; T1146-Q1233 PolarHBondContact O-NE2 2.99Å; T1146-Y1234 PolarHBondContact N-O 2.65Å; T1146-R1277 VanDerWaalsContact CA-NH1 3.34Å; T1146-R1277 PolarHBondContact OG1-NH1 3.45Å |
| 1147 | A | 89.5 | Confident | 88.4 | Confident | 18 Ų | 18 | 45 Ų | 45 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | trans | -80 | 168.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111 | S1149 E1150 | A1147-S1149 VanDerWaalsContact C-N 3.34Å; A1147-E1150 HydrophobicContact CB-CG 3.85Å; A1147-E1150 PolarHBondContact N-OE1 3.11Å; A1147-E1150 VanDerWaalsContact N-OE1 3.07Å | ||
| 1148 | I | 87.8 | Confident | 88.3 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -62.2 | -46.1 | 171.4 | -73.3 | 160.2 | 0 | 0 | 0 | 109.7 | K1155 C1156 Q1158 W1160 | I1148-K1155 PolarHBondContact O-N 3.44Å; I1148-C1156 CarbonylContact C-O 3.54Å; I1148-C1156 WeakPolarHBondContact CA-O 3.22Å; I1148-C1156 WeakPolarHBondContact CG2-O 3.38Å; I1148-C1156 PolarHBondContact O-N 3.09Å; I1148-C1156 VanDerWaalsContact O-N 3.08Å; I1148-C1156 VanDerWaalsContact O-O 3.06Å; I1148-Q1158 HydrophobicContact CD1-CB 3.87Å; I1148-Q1158 HydrophobicContact CD1-CG 4.34Å; I1148-Q1158 HydrophobicContact CG1-CB 4.42Å; I1148-W1160 HydrophobicContact CD1-CH2 4.17Å; I1148-W1160 HydrophobicContact CD1-CZ2 4.13Å; I1148-W1160 HydrophobicContact CG1-CH2 4.25Å |
| 1149 | S | 81.3 | Confident | 88.2 | Confident | 73 Ų | 73 | 41.4 Ų | 41.4 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.1 | 175.2 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | A1147 R1153 | A1147-S1149 VanDerWaalsContact C-N 3.34Å; S1149-R1153 CarbonylContact C-O 3.54Å; S1149-R1153 VanDerWaalsContact CA-O 3.26Å; S1149-R1153 WeakPolarHBondContact CA-O 3.29Å |
| 1150 | E | 76 | Confident | 88.1 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.2 | 176.7 | -61.9 | 175.2 | -169.3 | 0 | 0 | 109.3 | T1146 A1147 G1152 R1153 K1155 R1277 | T1146-E1150 WeakPolarHBondContact CA-OE1 3.47Å; T1146-E1150 WeakPolarHBondContact CB-OE1 3.24Å; T1146-E1150 PolarHBondContact OG1-OE1 3.22Å; A1147-E1150 HydrophobicContact CB-CG 3.85Å; A1147-E1150 PolarHBondContact N-OE1 3.11Å; A1147-E1150 VanDerWaalsContact N-OE1 3.07Å; E1150-G1152 PolarHBondContact O-N 3.46Å; E1150-R1153 PolarHBondContact N-O 3.12Å; E1150-R1153 PolarHBondContact O-N 3.41Å; E1150-K1155 HydrophobicContact CB-CG 3.81Å; E1150-K1155 HydrophobicContact CG-CB 4.48Å; E1150-K1155 HydrophobicContact CG-CG 3.87Å; E1150-R1277 IonicContact OE1-CZ 3.93Å; E1150-R1277 IonicContact OE1-NH1 3.18Å; E1150-R1277 PolarHBondContact OE1-NH1 3.39Å; E1150-R1277 IonicContact OE1-NH2 2.75Å; E1150-R1277 PolarHBondContact OE1-NH2 2.9Å; E1150-R1277 IonicContact OE2-CZ 3.24Å; E1150-R1277 IonicContact OE2-NH1 3.55Å; E1150-R1277 IonicContact OE2-NH2 3.74Å; E1150-R1277 PolarHBondContact OE2-NH2 2.88Å |
| 1151 | R | 67 | Low | 88 | Confident | 183 Ų | 183 | 40.6 Ų | 40.6 | 69% | 0.691 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 42.3 | -176.2 | -58 | 178.9 | 173.4 | -150.8 | -3.1 | 113.1 | E60 R1153 | E60-R1151 IonicContact OE1-NH1 2.78Å; E60-R1151 PolarHBondContact OE1-NH1 2.72Å; E60-R1151 IonicContact OE2-CZ 3.42Å; E60-R1151 IonicContact OE2-NH1 3.24Å; E60-R1151 PolarHBondContact OE2-NH1 3.03Å; E60-R1151 IonicContact OE2-NH2 3.45Å; E60-R1151 PolarHBondContact OE2-NH2 3.33Å; R1151-R1153 VanDerWaalsContact C-N 3.27Å; R1151-R1153 PolarHBondContact O-N 2.81Å |
| 1152 | G | 67.1 | Low | 87.7 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 81% | 0.814 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -5.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | E1150 | E1150-G1152 PolarHBondContact O-N 3.46Š|
| 1153 | R | 71.3 | Confident | 87.4 | Confident | 162 Ų | 162 | 48.2 Ų | 48.2 | 61% | 0.611 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.5 | 178.6 | -70.4 | 173.7 | 172.7 | 68.9 | 1.4 | 111.1 | S1149 E1150 R1151 K1155 | S1149-R1153 CarbonylContact C-O 3.54Å; S1149-R1153 VanDerWaalsContact CA-O 3.26Å; S1149-R1153 WeakPolarHBondContact CA-O 3.29Å; E1150-R1153 PolarHBondContact N-O 3.12Å; E1150-R1153 PolarHBondContact O-N 3.41Å; R1151-R1153 VanDerWaalsContact C-N 3.27Å; R1151-R1153 PolarHBondContact O-N 2.81Å; R1153-K1155 PolarHBondContact O-N 2.96Å |
| 1154 | A | 81.5 | Confident | 86.9 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 117.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | R1076 | R1076-A1154 PolarHBondContact NH1-O 3.4Å |
| 1155 | K | 89.4 | Confident | 86.6 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | trans | -102.6 | -26.1 | 177.7 | -65 | -67.6 | -178.2 | 171 | 0 | 112.1 | D969 R1076 T1146 I1148 E1150 R1153 D1239 S1272 | D969-K1155 IonicContact OD2-NZ 3.7Å; R1076-K1155 VanDerWaalsContact CZ-O 3.25Å; R1076-K1155 PolarHBondContact NE-O 3.36Å; T1146-K1155 WeakPolarHBondContact OG1-CB 3.25Å; I1148-K1155 PolarHBondContact O-N 3.44Å; E1150-K1155 HydrophobicContact CB-CG 3.81Å; E1150-K1155 HydrophobicContact CG-CB 4.48Å; E1150-K1155 HydrophobicContact CG-CG 3.87Å; R1153-K1155 PolarHBondContact O-N 2.96Å; K1155-D1239 VanDerWaalsContact CE-OD2 3.32Å; K1155-D1239 WeakPolarHBondContact CE-OD2 3.49Å; K1155-D1239 IonicContact NZ-OD2 3.86Å; K1155-D1239 PolarHBondContact NZ-OD2 2.96Å; K1155-S1272 WeakPolarHBondContact O-CA 3.41Å; K1155-S1272 PolarHBondContact O-OG 2.89Å | ||
| 1156 | C | 91.8 | Very high | 86.3 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -149.9 | 141.5 | 174 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | M1144 T1146 I1148 | M1144-C1156 HydrophobicContact CE-CB 3.61Å; M1144-C1156 VanDerWaalsContact CE-SG 3.59Å; T1146-C1156 HydrophobicContact CG2-CB 4.05Å; I1148-C1156 CarbonylContact C-O 3.54Å; I1148-C1156 WeakPolarHBondContact CA-O 3.22Å; I1148-C1156 WeakPolarHBondContact CG2-O 3.38Å; I1148-C1156 PolarHBondContact O-N 3.09Å; I1148-C1156 VanDerWaalsContact O-N 3.08Å; I1148-C1156 VanDerWaalsContact O-O 3.06Å |
| 1157 | H | 91.4 | Very high | 86.2 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | trans | -73.2 | 149 | 164.7 | -176.1 | 59.3 | 0 | 0 | 0 | 109.8 | P1122 P1124 Y1159 | P1122-H1157 VanDerWaalsContact O-CB 3.25Å; P1122-H1157 WeakPolarHBondContact O-CB 3.33Å; P1122-H1157 PolarHBondContact O-N 2.93Å; P1124-H1157 HydrophobicContact CG-CB 4.47Å; H1157-Y1159 WeakPolarHBondContact O-CD1 3.44Å; H1157-Y1159 PolarHBondContact O-N 2.75Å | ||
| 1158 | Q | 92.8 | Very high | 86 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 33% | 0.327 | 36% | 0.364 | S | S | . | . | trans | -71.1 | 96.9 | 169 | 179.2 | 172.2 | -33.7 | 0 | 0 | 108.3 | I1148 W1160 D1162 | I1148-Q1158 HydrophobicContact CD1-CB 3.87Å; I1148-Q1158 HydrophobicContact CD1-CG 4.34Å; I1148-Q1158 HydrophobicContact CG1-CB 4.42Å; Q1158-W1160 VanDerWaalsContact C-N 3.29Å; Q1158-W1160 HydrophobicContact CG-CD2 3.95Å; Q1158-W1160 HydrophobicContact CG-CE3 4.41Å; Q1158-W1160 HydrophobicContact CG-CG 4.31Å; Q1158-W1160 HydrophobicContact CG-CH2 4.47Å; Q1158-W1160 HydrophobicContact CG-CZ2 4.02Å; Q1158-W1160 WeakPolarHBondContact CG-O 3.36Å; Q1158-W1160 PolarHBondContact NE2-O 2.91Å; Q1158-W1160 PolarHBondContact O-N 2.85Å; Q1158-D1162 PolarHBondContact NE2-OD1 2.86Å | ||
| 1159 | Y | 93.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | trans | -85.3 | 2.1 | -176.6 | 56.8 | -97.5 | 0 | 0 | 0 | 113.8 | P1122 F1130 W1131 I1142 M1144 H1157 Q1231 H1270 | P1122-Y1159 HydrophobicContact CB-CD1 4.13Å; P1122-Y1159 HydrophobicContact CB-CG 4.48Å; P1122-Y1159 HydrophobicContact CG-CD1 3.66Å; P1122-Y1159 HydrophobicContact CG-CE1 4.13Å; P1122-Y1159 HydrophobicContact CG-CG 4.12Å; F1130-Y1159 HydrophobicContact CD1-CD2 4.04Å; F1130-Y1159 HydrophobicContact CD1-CE2 4.22Å; F1130-Y1159 HydrophobicContact CD1-CG 4.43Å; F1130-Y1159 AromaticContact CE1-CD2 3.75Å; F1130-Y1159 HydrophobicContact CE1-CD2 3.75Å; F1130-Y1159 HydrophobicContact CE1-CE1 4.43Å; F1130-Y1159 AromaticContact CE1-CE2 3.45Å; F1130-Y1159 HydrophobicContact CE1-CE2 3.45Å; F1130-Y1159 VanDerWaalsContact CE1-CE2 3.45Å; F1130-Y1159 HydrophobicContact CE1-CG 4.37Å; F1130-Y1159 AromaticContact CE1-CZ 3.82Å; F1130-Y1159 HydrophobicContact CZ-CE1 4.49Å; F1130-Y1159 HydrophobicContact CZ-CE2 4.09Å; F1130-Y1159 AromaticContact CZ-CZ 3.98Å; W1131-Y1159 AromaticContact CE2-CD2 3.85Å; W1131-Y1159 HydrophobicContact CH2-CE2 4.45Å; W1131-Y1159 AromaticContact CZ2-CD2 3.59Å; W1131-Y1159 HydrophobicContact CZ2-CD2 3.59Å; W1131-Y1159 AromaticContact CZ2-CE2 3.89Å; W1131-Y1159 HydrophobicContact CZ2-CE2 3.89Å; W1131-Y1159 AromaticContact NE1-CD2 3.84Å; W1131-Y1159 PolarHBondContact NE1-O 2.89Å; I1142-Y1159 WeakPolarHBondContact CG2-OH 3.49Å; M1144-Y1159 HydrophobicContact SD-CE1 4Å; H1157-Y1159 WeakPolarHBondContact O-CD1 3.44Å; H1157-Y1159 PolarHBondContact O-N 2.75Å; Y1159-Q1231 PolarHBondContact OH-NE2 3.15Å; Y1159-H1270 AromaticContact CE1-CE1 3.72Å; Y1159-H1270 AromaticContact CE1-NE2 3.45Å; Y1159-H1270 WeakPolarHBondContact CE1-NE2 3.35Å; Y1159-H1270 AromaticContact CZ-NE2 3.54Å; Y1159-H1270 PolarHBondContact OH-NE2 3.16Å | ||
| 1160 | W | 94.3 | Very high | 85 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -119.8 | 145.7 | -179.2 | 61 | 89.9 | 0 | 0 | 0 | 111.5 | M1144 I1148 Q1158 F1204 | M1144-W1160 HydrophobicContact CE-CH2 3.88Å; M1144-W1160 HydrophobicContact CE-CZ3 4.05Å; M1144-W1160 HydrophobicContact SD-CH2 3.68Å; M1144-W1160 HydrophobicContact SD-CZ3 3.56Å; M1144-W1160 VanDerWaalsContact SD-CZ3 3.56Å; I1148-W1160 HydrophobicContact CD1-CH2 4.17Å; I1148-W1160 HydrophobicContact CD1-CZ2 4.13Å; I1148-W1160 HydrophobicContact CG1-CH2 4.25Å; Q1158-W1160 VanDerWaalsContact C-N 3.29Å; Q1158-W1160 HydrophobicContact CG-CD2 3.95Å; Q1158-W1160 HydrophobicContact CG-CE3 4.41Å; Q1158-W1160 HydrophobicContact CG-CG 4.31Å; Q1158-W1160 HydrophobicContact CG-CH2 4.47Å; Q1158-W1160 HydrophobicContact CG-CZ2 4.02Å; Q1158-W1160 WeakPolarHBondContact CG-O 3.36Å; Q1158-W1160 PolarHBondContact NE2-O 2.91Å; Q1158-W1160 PolarHBondContact O-N 2.85Å; W1160-F1204 HydrophobicContact CB-CD1 4.37Å; W1160-F1204 HydrophobicContact CB-CE1 3.47Å; W1160-F1204 VanDerWaalsContact CB-CE1 3.47Å; W1160-F1204 HydrophobicContact CB-CZ 3.63Å; W1160-F1204 AromaticContact CG-CE1 3.99Å; W1160-F1204 HydrophobicContact CG-CE1 3.99Å; W1160-F1204 AromaticContact CG-CZ 3.96Å; W1160-F1204 HydrophobicContact CG-CZ 3.96Å |
| 1161 | P | 92.5 | Very high | 84.4 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 8% | 0.078 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 161.5 | 172.4 | 30.9 | -33.6 | 0 | 0 | 0 | 111.4 | H1165 V1167 L1188 T1190 | P1161-H1165 HydrophobicContact CB-CB 3.97Å; P1161-H1165 WeakPolarHBondContact CG-O 3.13Å; P1161-V1167 HydrophobicContact CB-CG2 3.88Å; P1161-V1167 HydrophobicContact CG-CG2 4.48Å; P1161-L1188 HydrophobicContact CG-CD2 4.49Å; P1161-T1190 WeakPolarHBondContact O-CB 3.44Å; P1161-T1190 PolarHBondContact O-OG1 2.86Å |
| 1162 | D | 90.7 | Very high | 83.7 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 164.1 | 175.8 | -50.8 | -44.9 | 0 | 0 | 0 | 111.7 | Q1158 N1164 H1165 | Q1158-D1162 PolarHBondContact NE2-OD1 2.86Å; D1162-N1164 PolarHBondContact O-N 2.94Å; D1162-H1165 WeakPolarHBondContact O-CB 3.35Å; D1162-H1165 PolarHBondContact O-N 3.32Å |
| 1163 | L | 92.9 | Very high | 82.8 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 127.4 | -175.1 | -177.7 | 59.7 | 0 | 0 | 0 | 112.9 | H1165 T1190 E1193 | L1163-H1165 VanDerWaalsContact C-N 3.25Å; L1163-H1165 PolarHBondContact O-N 2.89Å; L1163-T1190 HydrophobicContact CD1-CG2 4.16Å; L1163-E1193 HydrophobicContact CB-CB 4.47Å; L1163-E1193 HydrophobicContact CD1-CB 4.36Å; L1163-E1193 HydrophobicContact CD2-CB 4.47Å |
| 1164 | N | 89 | Confident | 81.3 | Confident | 103 Ų | 103 | 53.3 Ų | 53.3 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -8 | -171 | -61.2 | -69.7 | 0 | 0 | 0 | 117.2 | D1162 K1189 T1190 | D1162-N1164 PolarHBondContact O-N 2.94Å; N1164-K1189 WeakPolarHBondContact O-CE 3.45Å; N1164-T1190 VanDerWaalsContact CA-O 3.24Å; N1164-T1190 WeakPolarHBondContact CA-O 3.48Å; N1164-T1190 PolarHBondContact N-O 3.06Å |
| 1165 | H | 90.5 | Very high | 79.4 | Confident | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | trans | -78.2 | 151.9 | 174.5 | -71.5 | -111.7 | 0 | 0 | 0 | 111.6 | P1161 D1162 L1163 K1189 T1190 | P1161-H1165 HydrophobicContact CB-CB 3.97Å; P1161-H1165 WeakPolarHBondContact CG-O 3.13Å; D1162-H1165 WeakPolarHBondContact O-CB 3.35Å; D1162-H1165 PolarHBondContact O-N 3.32Å; L1163-H1165 VanDerWaalsContact C-N 3.25Å; L1163-H1165 PolarHBondContact O-N 2.89Å; H1165-K1189 WeakPolarHBondContact O-CA 3.33Å; H1165-T1190 PolarHBondContact O-N 2.86Å | ||
| 1166 | T | 90.4 | Very high | 77.4 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.1 | -177.1 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | Q1187 L1188 K1189 | T1166-Q1187 HydrophobicContact CG2-CG 3.41Å; T1166-Q1187 VanDerWaalsContact CG2-CG 3.41Å; T1166-L1188 CarbonylContact C-O 3.41Å; T1166-L1188 VanDerWaalsContact CA-O 3.28Å; T1166-L1188 WeakPolarHBondContact CA-O 3.37Å; T1166-K1189 HydrophobicContact CG2-CB 4.33Å; T1166-K1189 WeakPolarHBondContact OG1-CG 3.33Å |
| 1167 | V | 88.8 | Confident | 75.1 | Confident | 56 Ų | 56 | 72.4 Ų | 72.4 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 145.2 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | P1161 F1169 L1188 | P1161-V1167 HydrophobicContact CB-CG2 3.88Å; P1161-V1167 HydrophobicContact CG-CG2 4.48Å; V1167-F1169 HydrophobicContact CB-CE1 4.05Å; V1167-F1169 HydrophobicContact CB-CZ 4.08Å; V1167-F1169 HydrophobicContact CG1-CD1 4.1Å; V1167-F1169 HydrophobicContact CG1-CE1 3.37Å; V1167-F1169 HydrophobicContact CG1-CZ 3.93Å; V1167-L1188 PolarHBondContact N-O 3.43Å; V1167-L1188 PolarHBondContact O-N 3.22Å |
| 1168 | N | 86.6 | Confident | 72.4 | Confident | 87 Ų | 87 | 74.3 Ų | 74.3 | 47% | 0.465 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 139.4 | 178.2 | -59.5 | -22.5 | 0 | 0 | 0 | 110.4 | L1186 Q1187 | N1168-L1186 CarbonylContact C-O 3.58Å; N1168-L1186 WeakPolarHBondContact CA-O 3.48Å; N1168-Q1187 WeakPolarHBondContact OD1-CB 3.39Å; N1168-Q1187 WeakPolarHBondContact OD1-CG 3.24Å; N1168-Q1187 PolarHBondContact OD1-NE2 3.07Å |
| 1169 | F | 78 | Confident | 70 | Confident | 15 Ų | 15 | 79.3 Ų | 79.3 | 7% | 0.066 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.4 | 177.6 | -45.8 | -56.3 | 0 | 0 | 0 | 110.2 | Y1127 W1131 V1167 V1171 D1185 L1186 L1188 | Y1127-F1169 HydrophobicContact CD2-CE1 4.09Å; Y1127-F1169 HydrophobicContact CD2-CZ 4.3Å; Y1127-F1169 AromaticContact CE2-CD1 3.98Å; Y1127-F1169 HydrophobicContact CE2-CD1 3.98Å; Y1127-F1169 AromaticContact CE2-CE1 3.24Å; Y1127-F1169 HydrophobicContact CE2-CE1 3.24Å; Y1127-F1169 AromaticContact CE2-CZ 3.78Å; Y1127-F1169 HydrophobicContact CE2-CZ 3.78Å; Y1127-F1169 AromaticContact CZ-CE1 3.7Å; W1131-F1169 HydrophobicContact CB-CD2 4.1Å; W1131-F1169 HydrophobicContact CB-CE2 4.27Å; W1131-F1169 AromaticContact CD1-CE2 3.45Å; W1131-F1169 VanDerWaalsContact CD1-CE2 3.45Å; W1131-F1169 HydrophobicContact CG-CD2 4.26Å; W1131-F1169 AromaticContact CG-CE2 3.93Å; W1131-F1169 HydrophobicContact CG-CE2 3.93Å; V1167-F1169 HydrophobicContact CB-CE1 4.05Å; V1167-F1169 HydrophobicContact CB-CZ 4.08Å; V1167-F1169 HydrophobicContact CG1-CD1 4.1Å; V1167-F1169 HydrophobicContact CG1-CE1 3.37Å; V1167-F1169 HydrophobicContact CG1-CZ 3.93Å; F1169-V1171 WeakPolarHBondContact O-CG2 3.42Å; F1169-V1171 PolarHBondContact O-N 2.96Å; F1169-D1185 CarbonylContact O-C 3.56Å; F1169-D1185 WeakPolarHBondContact O-CA 3.37Å; F1169-L1186 PolarHBondContact N-O 3.04Å; F1169-L1186 PolarHBondContact O-N 3.22Å; F1169-L1188 HydrophobicContact CE2-CB 3.69Å; F1169-L1188 HydrophobicContact CE2-CD2 3.82Å; F1169-L1188 HydrophobicContact CE2-CG 4.41Å; F1169-L1188 HydrophobicContact CZ-CB 4.35Å; F1169-L1188 HydrophobicContact CZ-CD2 4.1Å |
| 1170 | S | 69.2 | Low | 67.5 | Low | 96 Ų | 96 | 84 Ų | 84 | 67% | 0.671 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 114.4 | 179.4 | -73.8 | 0 | 0 | 0 | 0 | 112.5 | S1172 D1185 | S1170-S1172 PolarHBondContact O-N 3.34Å; S1170-D1185 WeakPolarHBondContact CA-OD1 3.38Å; S1170-D1185 WeakPolarHBondContact CB-OD1 3.48Å; S1170-D1185 PolarHBondContact OG-OD1 3.19Å |
| 1171 | V | 63.9 | Low | 65.1 | Low | 12 Ų | 12 | 95.9 Ų | 95.9 | 7% | 0.073 | 51% | 0.513 | C | S | . | . | trans | -92.1 | 30.3 | -175.3 | -154.8 | 0 | 0 | 0 | 0 | 111.5 | Q1092 G1093 Q1132 F1169 T1184 L1186 | Q1092-V1171 HydrophobicContact CB-CG1 3.83Å; G1093-V1171 VanDerWaalsContact CA-O 3.29Å; G1093-V1171 WeakPolarHBondContact CA-O 3.29Å; G1093-V1171 PolarHBondContact N-O 2.84Å; Q1132-V1171 HydrophobicContact CB-CG1 3.94Å; Q1132-V1171 HydrophobicContact CG-CG1 3.47Å; Q1132-V1171 VanDerWaalsContact CG-CG1 3.47Å; Q1132-V1171 VanDerWaalsContact OE1-CG1 3.3Å; F1169-V1171 WeakPolarHBondContact O-CG2 3.42Å; F1169-V1171 PolarHBondContact O-N 2.96Å; V1171-T1184 WeakPolarHBondContact CB-O 3.43Å; V1171-T1184 PolarHBondContact N-O 2.94Å; V1171-L1186 HydrophobicContact CG2-CB 4.1Å; V1171-L1186 HydrophobicContact CG2-CD1 3.68Å; V1171-L1186 HydrophobicContact CG2-CG 3.66Å | ||
| 1172 | S | 53.1 | Low | 63 | Low | 35 Ų | 35 | 97.6 Ų | 97.6 | 25% | 0.245 | 53% | 0.532 | C | S | . | . | B | Isolated β-bridge | trans | -127.8 | 112.4 | -159.5 | -168.6 | 0 | 0 | 0 | 0 | 115.4 | S1170 S1183 | S1170-S1172 PolarHBondContact O-N 3.34Å; S1172-S1183 WeakPolarHBondContact CB-OG 3.18Å; S1172-S1183 WeakPolarHBondContact OG-CB 3.4Å; S1172-S1183 PolarHBondContact OG-OG 3.37Å |
| 1173 | S | 48.1 | Very low | 61.3 | Low | 73 Ų | 73 | 95.5 Ų | 95.5 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | trans | 58.8 | 109.6 | 142.5 | 61.2 | 0 | 0 | 0 | 0 | 118.4 | G1093 | G1093-S1173 WeakPolarHBondContact O-CA 3.48Å; G1093-S1173 PolarHBondContact O-N 3.36Å | ||
| 1174 | S | 39.2 | Very low | 60 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | trans | -47.6 | 143.6 | 158.7 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | R1176 | S1174-R1176 PolarHBondContact O-N 2.85Š| ||
| 1175 | P | 42.3 | Very low | 59.6 | Low | 127 Ų | 127 | 89.3 Ų | 89.3 | 83% | 0.825 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -7.5 | -175.6 | -27.1 | 35.3 | 0 | 0 | 0 | 117 | ||
| 1176 | R | 46.3 | Very low | 59.5 | Low | 227 Ų | 227 | 83.8 Ų | 83.8 | 86% | 0.857 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.8 | -168.7 | -59.7 | -174.7 | -176.8 | 175 | 3 | 115.4 | S1174 | S1174-R1176 PolarHBondContact O-N 2.85Š|
| 1177 | I | 43.7 | Very low | 59.6 | Low | 133 Ų | 133 | 83.9 Ų | 83.9 | 68% | 0.682 | 46% | 0.463 | S | S | * | . | trans | -125.9 | 70.4 | 177 | -48.2 | -177.3 | 0 | 0 | 0 | 111.1 | Q1179 | I1177-Q1179 PolarHBondContact O-N 2.86Š| ||
| 1178 | S | 34.9 | Very low | 59.9 | Low | 105 Ų | 105 | 81.2 Ų | 81.2 | 73% | 0.734 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 59.8 | 179.4 | 47.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1179 | Q | 41.5 | Very low | 60.3 | Low | 176 Ų | 176 | 80.6 Ų | 80.6 | 82% | 0.822 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -158.8 | -7.7 | 170.5 | -116.5 | 146 | 103.1 | 0 | 0 | 117.4 | I1177 R1181 | I1177-Q1179 PolarHBondContact O-N 2.86Å; Q1179-R1181 PolarHBondContact O-N 2.89Å |
| 1180 | S | 41.2 | Very low | 61.2 | Low | 101 Ų | 101 | 79.9 Ų | 79.9 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | trans | -74.3 | 112.3 | -179.9 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | G1182 | S1180-G1182 PolarHBondContact O-N 2.76Š| ||
| 1181 | R | 43.6 | Very low | 62.5 | Low | 260 Ų | 260 | 77.1 Ų | 77.1 | 98% | 0.981 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -80.2 | 45.9 | -175.6 | -68.7 | 178.6 | 163.7 | 178 | -5.4 | 113.7 | Q1179 | Q1179-R1181 PolarHBondContact O-N 2.89Š|
| 1182 | G | 49.5 | Very low | 64 | Low | 48 Ų | 48 | 81.1 Ų | 81.1 | 50% | 0.495 | 43% | 0.43 | S | S | . | . | trans | -141.3 | 15.7 | -166 | 0 | 0 | 0 | 0 | 0 | 117.7 | S1180 T1184 | S1180-G1182 PolarHBondContact O-N 2.76Å; G1182-T1184 PolarHBondContact O-N 3.43Å | ||
| 1183 | S | 54.4 | Low | 66 | Low | 45 Ų | 45 | 82 Ų | 82 | 32% | 0.315 | 43% | 0.43 | S | S | . | . | trans | -64.4 | 122 | -175.8 | -177.6 | 0 | 0 | 0 | 0 | 113.4 | S1172 S1211 | S1172-S1183 WeakPolarHBondContact CB-OG 3.18Å; S1172-S1183 WeakPolarHBondContact OG-CB 3.4Å; S1172-S1183 PolarHBondContact OG-OG 3.37Å; S1183-S1211 VanDerWaalsContact CB-OG 3.24Å; S1183-S1211 WeakPolarHBondContact CB-OG 3.47Å; S1183-S1211 WeakPolarHBondContact O-CB 3.24Å; S1183-S1211 PolarHBondContact O-N 3.32Å; S1183-S1211 PolarHBondContact O-OG 3.12Å; S1183-S1211 WeakPolarHBondContact OG-CB 3.14Å; S1183-S1211 PolarHBondContact OG-OG 2.66Å | ||
| 1184 | T | 66.7 | Low | 68.1 | Low | 27 Ų | 27 | 82.3 Ų | 82.3 | 17% | 0.166 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.3 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | V1171 G1182 Q1208 I1209 | V1171-T1184 WeakPolarHBondContact CB-O 3.43Å; V1171-T1184 PolarHBondContact N-O 2.94Å; G1182-T1184 PolarHBondContact O-N 3.43Å; T1184-Q1208 HydrophobicContact CG2-CG 4.06Å; T1184-Q1208 PolarHBondContact OG1-NE2 3.32Å; T1184-I1209 WeakPolarHBondContact CA-O 3.24Å; T1184-I1209 WeakPolarHBondContact CB-O 3.41Å |
| 1185 | D | 80.4 | Confident | 70.5 | Confident | 17 Ų | 17 | 84.6 Ų | 84.6 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 155 | 172.8 | -49.4 | -45.1 | 0 | 0 | 0 | 109.2 | F1169 S1170 I1209 S1211 | F1169-D1185 CarbonylContact O-C 3.56Å; F1169-D1185 WeakPolarHBondContact O-CA 3.37Å; S1170-D1185 WeakPolarHBondContact CA-OD1 3.38Å; S1170-D1185 WeakPolarHBondContact CB-OD1 3.48Å; S1170-D1185 PolarHBondContact OG-OD1 3.19Å; D1185-I1209 HydrophobicContact CB-CD1 4.22Å; D1185-I1209 HydrophobicContact CB-CG1 3.89Å; D1185-I1209 PolarHBondContact N-O 3.3Å; D1185-I1209 WeakPolarHBondContact O-CG1 3.13Å; D1185-I1209 PolarHBondContact O-N 2.97Å; D1185-S1211 VanDerWaalsContact OD2-CA 3.27Å; D1185-S1211 WeakPolarHBondContact OD2-CA 3.4Å; D1185-S1211 WeakPolarHBondContact OD2-CB 3.39Å |
| 1186 | L | 88.6 | Confident | 72.5 | Confident | 3 Ų | 3 | 83.9 Ų | 83.9 | 2% | 0.016 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.5 | 171.9 | -76.5 | 166.2 | 0 | 0 | 0 | 109.6 | Q1132 W1135 N1168 F1169 V1171 I1206 S1207 Q1208 | Q1132-L1186 HydrophobicContact CB-CD1 4.45Å; W1135-L1186 HydrophobicContact CB-CD1 3.79Å; W1135-L1186 HydrophobicContact CB-CD2 4.04Å; W1135-L1186 HydrophobicContact CD2-CD2 3.53Å; W1135-L1186 HydrophobicContact CE3-CD2 3.85Å; W1135-L1186 HydrophobicContact CG-CD1 4.12Å; W1135-L1186 HydrophobicContact CG-CD2 3.59Å; N1168-L1186 CarbonylContact C-O 3.58Å; N1168-L1186 WeakPolarHBondContact CA-O 3.48Å; F1169-L1186 PolarHBondContact N-O 3.04Å; F1169-L1186 PolarHBondContact O-N 3.22Å; V1171-L1186 HydrophobicContact CG2-CB 4.1Å; V1171-L1186 HydrophobicContact CG2-CD1 3.68Å; V1171-L1186 HydrophobicContact CG2-CG 3.66Å; L1186-I1206 HydrophobicContact CB-CD1 4.46Å; L1186-I1206 HydrophobicContact CD1-CD1 4.35Å; L1186-I1206 HydrophobicContact CD2-CD1 4.15Å; L1186-I1206 HydrophobicContact CD2-CG1 4.13Å; L1186-S1207 WeakPolarHBondContact CA-O 3.47Å; L1186-Q1208 HydrophobicContact CD2-CB 4.28Å |
| 1187 | Q | 92.1 | Very high | 74.1 | Confident | 66 Ų | 66 | 79.6 Ų | 79.6 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.1 | 172.6 | 174.5 | 162.4 | 107.1 | 0 | 0 | 109.6 | T1166 N1168 I1206 S1207 I1209 | T1166-Q1187 HydrophobicContact CG2-CG 3.41Å; T1166-Q1187 VanDerWaalsContact CG2-CG 3.41Å; N1168-Q1187 WeakPolarHBondContact OD1-CB 3.39Å; N1168-Q1187 WeakPolarHBondContact OD1-CG 3.24Å; N1168-Q1187 PolarHBondContact OD1-NE2 3.07Å; Q1187-I1206 CarbonylContact O-C 3.58Å; Q1187-I1206 VanDerWaalsContact O-CA 3.32Å; Q1187-I1206 WeakPolarHBondContact O-CA 3.39Å; Q1187-S1207 PolarHBondContact N-O 3.12Å; Q1187-S1207 PolarHBondContact O-N 3.14Å; Q1187-I1209 HydrophobicContact CB-CD1 4.2Å; Q1187-I1209 HydrophobicContact CB-CG1 4.39Å; Q1187-I1209 HydrophobicContact CB-CG2 4Å |
| 1188 | L | 94.6 | Very high | 76 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.8 | 179 | -179 | 76.9 | 0 | 0 | 0 | 110.1 | W1131 P1161 T1166 V1167 F1169 F1204 D1205 I1206 | W1131-L1188 HydrophobicContact CD2-CD1 4.19Å; W1131-L1188 HydrophobicContact CD2-CD2 3.92Å; W1131-L1188 HydrophobicContact CE3-CD1 4.03Å; W1131-L1188 HydrophobicContact CG-CD2 4.36Å; W1131-L1188 HydrophobicContact CH2-CD1 3.92Å; W1131-L1188 HydrophobicContact CH2-CD2 4.19Å; W1131-L1188 HydrophobicContact CZ2-CD1 4.06Å; W1131-L1188 HydrophobicContact CZ2-CD2 3.48Å; W1131-L1188 VanDerWaalsContact CZ2-CD2 3.48Å; W1131-L1188 HydrophobicContact CZ2-CG 4.43Å; W1131-L1188 HydrophobicContact CZ3-CD1 3.9Å; P1161-L1188 HydrophobicContact CG-CD2 4.49Å; T1166-L1188 CarbonylContact C-O 3.41Å; T1166-L1188 VanDerWaalsContact CA-O 3.28Å; T1166-L1188 WeakPolarHBondContact CA-O 3.37Å; V1167-L1188 PolarHBondContact N-O 3.43Å; V1167-L1188 PolarHBondContact O-N 3.22Å; F1169-L1188 HydrophobicContact CE2-CB 3.69Å; F1169-L1188 HydrophobicContact CE2-CD2 3.82Å; F1169-L1188 HydrophobicContact CE2-CG 4.41Å; F1169-L1188 HydrophobicContact CZ-CB 4.35Å; F1169-L1188 HydrophobicContact CZ-CD2 4.1Å; L1188-F1204 HydrophobicContact CD1-CB 3.7Å; L1188-F1204 HydrophobicContact CD1-CG 4.25Å; L1188-D1205 WeakPolarHBondContact CA-O 3.41Å; L1188-I1206 HydrophobicContact CD1-CB 3.99Å; L1188-I1206 HydrophobicContact CD1-CD1 4.48Å; L1188-I1206 HydrophobicContact CD1-CG1 4.38Å |
| 1189 | K | 95.4 | Very high | 78.6 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.3 | 174.3 | -177.9 | -175.5 | 177.8 | -170.8 | 0 | 111 | N1164 H1165 T1166 V1191 F1204 D1205 | N1164-K1189 WeakPolarHBondContact O-CE 3.45Å; H1165-K1189 WeakPolarHBondContact O-CA 3.33Å; T1166-K1189 HydrophobicContact CG2-CB 4.33Å; T1166-K1189 WeakPolarHBondContact OG1-CG 3.33Å; K1189-V1191 HydrophobicContact CB-CG1 4.43Å; K1189-V1191 HydrophobicContact CD-CG1 3.8Å; K1189-V1191 HydrophobicContact CG-CG1 3.89Å; K1189-F1204 CarbonylContact O-C 3.56Å; K1189-F1204 VanDerWaalsContact O-CA 3.24Å; K1189-F1204 WeakPolarHBondContact O-CA 3.11Å; K1189-D1205 PolarHBondContact N-O 2.94Å; K1189-D1205 PolarHBondContact O-N 2.99Å |
| 1190 | T | 96.5 | Very high | 81 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123 | 168.7 | -56.4 | 0 | 0 | 0 | 0 | 109.6 | P1161 L1163 N1164 H1165 F1204 | P1161-T1190 WeakPolarHBondContact O-CB 3.44Å; P1161-T1190 PolarHBondContact O-OG1 2.86Å; L1163-T1190 HydrophobicContact CD1-CG2 4.16Å; N1164-T1190 VanDerWaalsContact CA-O 3.24Å; N1164-T1190 WeakPolarHBondContact CA-O 3.48Å; N1164-T1190 PolarHBondContact N-O 3.06Å; H1165-T1190 PolarHBondContact O-N 2.86Å; T1190-F1204 HydrophobicContact CG2-CD1 4.11Å; T1190-F1204 HydrophobicContact CG2-CE1 3.96Å; T1190-F1204 VanDerWaalsContact OG1-CD1 3.3Å; T1190-F1204 WeakPolarHBondContact OG1-CD1 3.47Å; T1190-F1204 VanDerWaalsContact OG1-CE1 3.31Å; T1190-F1204 WeakPolarHBondContact OG1-CE1 3.33Å |
| 1191 | V | 96.6 | Very high | 83.7 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -12.5 | -172.2 | -68.2 | 0 | 0 | 0 | 0 | 113.5 | K1189 E1203 D1205 | K1189-V1191 HydrophobicContact CB-CG1 4.43Å; K1189-V1191 HydrophobicContact CD-CG1 3.8Å; K1189-V1191 HydrophobicContact CG-CG1 3.89Å; V1191-E1203 HydrophobicContact CG2-CB 3.95Å; V1191-E1203 VanDerWaalsContact CG2-O 3.3Å; V1191-E1203 WeakPolarHBondContact CG2-O 3.34Å; V1191-E1203 PolarHBondContact N-O 2.96Å; V1191-D1205 HydrophobicContact CG1-CB 4.43Å |
| 1192 | R | 96.3 | Very high | 86.2 | Confident | 96 Ų | 96 | 49.4 Ų | 49.4 | 36% | 0.362 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 143 | 169 | -164.3 | 179.2 | 173.9 | -167.4 | -7.5 | 109.8 | E1194 R1202 E1203 | R1192-E1194 IonicContact CZ-OE1 2.81Å; R1192-E1194 IonicContact CZ-OE2 3.73Å; R1192-E1194 VanDerWaalsContact NE-CD 3.34Å; R1192-E1194 IonicContact NE-OE1 2.72Å; R1192-E1194 PolarHBondContact NE-OE1 2.92Å; R1192-E1194 IonicContact NE-OE2 2.88Å; R1192-E1194 IonicContact NH2-OE1 3.09Å; R1192-E1194 PolarHBondContact NH2-OE1 3.26Å; R1192-E1194 IonicContact NH2-OE2 3.84Å; R1192-E1194 PolarHBondContact NH2-OE2 2.88Å; R1192-R1202 CarbonylContact O-C 3.54Å; R1192-R1202 VanDerWaalsContact O-CA 3.28Å; R1192-R1202 WeakPolarHBondContact O-CA 3.46Å; R1192-E1203 HydrophobicContact CB-CB 3.77Å; R1192-E1203 HydrophobicContact CB-CG 4.04Å; R1192-E1203 WeakPolarHBondContact CD-OE1 3.41Å; R1192-E1203 IonicContact CZ-OE1 3.76Å; R1192-E1203 PolarHBondContact N-O 3.1Å; R1192-E1203 IonicContact NE-OE1 2.72Å; R1192-E1203 IonicContact NH1-OE1 3.94Å; R1192-E1203 PolarHBondContact NH1-OE1 2.81Å; R1192-E1203 PolarHBondContact O-N 3.35Å |
| 1193 | E | 93.9 | Very high | 88.5 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 126.6 | 170.1 | 176.1 | 159.8 | -159.1 | 0 | 0 | 108.9 | L1163 I1195 Y1201 R1202 | L1163-E1193 HydrophobicContact CB-CB 4.47Å; L1163-E1193 HydrophobicContact CD1-CB 4.36Å; L1163-E1193 HydrophobicContact CD2-CB 4.47Å; E1193-I1195 HydrophobicContact CG-CG1 4.49Å; E1193-Y1201 WeakPolarHBondContact CA-O 3.35Å; E1193-R1202 HydrophobicContact CB-CG 4.24Å; E1193-R1202 HydrophobicContact CG-CG 4.05Å; E1193-R1202 IonicContact OE1-CZ 2.69Å; E1193-R1202 IonicContact OE1-NE 2.8Å; E1193-R1202 PolarHBondContact OE1-NE 3.06Å; E1193-R1202 IonicContact OE1-NH2 3.17Å; E1193-R1202 PolarHBondContact OE1-NH2 2.96Å; E1193-R1202 IonicContact OE2-NE 2.69Å |
| 1194 | E | 92.6 | Very high | 90.6 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 127 | -179.6 | -72.8 | 171.1 | -170 | 0 | 0 | 108.2 | R1192 A1200 Y1201 | R1192-E1194 IonicContact CZ-OE1 2.81Å; R1192-E1194 IonicContact CZ-OE2 3.73Å; R1192-E1194 VanDerWaalsContact NE-CD 3.34Å; R1192-E1194 IonicContact NE-OE1 2.72Å; R1192-E1194 PolarHBondContact NE-OE1 2.92Å; R1192-E1194 IonicContact NE-OE2 2.88Å; R1192-E1194 IonicContact NH2-OE1 3.09Å; R1192-E1194 PolarHBondContact NH2-OE1 3.26Å; R1192-E1194 IonicContact NH2-OE2 3.84Å; R1192-E1194 PolarHBondContact NH2-OE2 2.88Å; E1194-A1200 CarbonylContact O-C 3.6Å; E1194-A1200 WeakPolarHBondContact O-CA 3.35Å; E1194-Y1201 PolarHBondContact N-O 3.4Å; E1194-Y1201 PolarHBondContact O-N 2.95Å |
| 1195 | I | 89.1 | Confident | 92 | Very high | 100 Ų | 100 | 46.9 Ų | 46.9 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.7 | 178.1 | -49.4 | -173.8 | 0 | 0 | 0 | 108.3 | E1193 A1200 I1235 | E1193-I1195 HydrophobicContact CG-CG1 4.49Å; I1195-A1200 HydrophobicContact CB-CB 4.44Å; I1195-A1200 HydrophobicContact CD1-CB 4.34Å; I1195-A1200 HydrophobicContact CG1-CB 3.84Å; I1195-A1200 HydrophobicContact CG2-CB 4.29Å; I1195-I1235 HydrophobicContact CG2-CD1 4Å |
| 1196 | I | 84.6 | Confident | 92.7 | Very high | 112 Ų | 112 | 46 Ų | 46 | 57% | 0.574 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 109.2 | -176 | -55.9 | 179.2 | 0 | 0 | 0 | 107.8 | D1198 I1199 | I1196-D1198 PolarHBondContact O-N 2.86Å; I1196-I1199 PolarHBondContact N-O 3.1Å; I1196-I1199 PolarHBondContact O-N 3.02Å; I1196-I1199 VanDerWaalsContact O-N 3.09Å |
| 1197 | N | 80 | Confident | 92.8 | Very high | 138 Ų | 138 | 46.5 Ų | 46.5 | 74% | 0.738 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -130.9 | -169.9 | -50.6 | -38.3 | 0 | 0 | 0 | 110 | I1199 | N1197-I1199 VanDerWaalsContact C-N 3.26Å; N1197-I1199 PolarHBondContact O-N 3.36Å |
| 1198 | D | 83.8 | Confident | 92.5 | Very high | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 11.9 | 178.9 | -57.8 | -39 | 0 | 0 | 0 | 114.5 | I1196 I1235 S1236 | I1196-D1198 PolarHBondContact O-N 2.86Å; D1198-I1235 WeakPolarHBondContact O-CB 3.21Å; D1198-I1235 WeakPolarHBondContact O-CG1 3.45Å; D1198-I1235 PolarHBondContact O-N 3.41Å; D1198-S1236 WeakPolarHBondContact CB-OG 3.2Å; D1198-S1236 VanDerWaalsContact OD2-CB 3.27Å; D1198-S1236 WeakPolarHBondContact OD2-CB 3.16Å; D1198-S1236 PolarHBondContact OD2-OG 3.18Å |
| 1199 | I | 89.1 | Confident | 91.8 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.3 | 179.9 | -61.2 | 169.1 | 0 | 0 | 0 | 109.1 | I1196 N1197 Q1233 Q1248 F1252 | I1196-I1199 PolarHBondContact N-O 3.1Å; I1196-I1199 PolarHBondContact O-N 3.02Å; I1196-I1199 VanDerWaalsContact O-N 3.09Å; N1197-I1199 VanDerWaalsContact C-N 3.26Å; N1197-I1199 PolarHBondContact O-N 3.36Å; I1199-Q1233 WeakPolarHBondContact CA-O 3.26Å; I1199-Q1248 HydrophobicContact CD1-CG 4.4Å; I1199-F1252 HydrophobicContact CD1-CB 4.43Å; I1199-F1252 HydrophobicContact CD1-CD2 3.98Å; I1199-F1252 HydrophobicContact CG1-CD2 4Å; I1199-F1252 HydrophobicContact CG2-CD2 4.09Å; I1199-F1252 HydrophobicContact CG2-CE2 4.15Å |
| 1200 | A | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1194 I1195 Q1233 I1235 | E1194-A1200 CarbonylContact O-C 3.6Å; E1194-A1200 WeakPolarHBondContact O-CA 3.35Å; I1195-A1200 HydrophobicContact CB-CB 4.44Å; I1195-A1200 HydrophobicContact CD1-CB 4.34Å; I1195-A1200 HydrophobicContact CG1-CB 3.84Å; I1195-A1200 HydrophobicContact CG2-CB 4.29Å; A1200-Q1233 HydrophobicContact CB-CB 4.19Å; A1200-Q1233 PolarHBondContact N-O 2.58Å; A1200-Q1233 PolarHBondContact O-N 2.9Å; A1200-I1235 HydrophobicContact CB-CD1 4.09Å |
| 1201 | Y | 96.3 | Very high | 89.1 | Confident | 33 Ų | 33 | 47 Ų | 47 | 13% | 0.129 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132 | 172.4 | 174.9 | -110.3 | 0 | 0 | 0 | 109.2 | E1193 E1194 E1203 S1230 Q1231 L1232 I1259 | E1193-Y1201 WeakPolarHBondContact CA-O 3.35Å; E1194-Y1201 PolarHBondContact N-O 3.4Å; E1194-Y1201 PolarHBondContact O-N 2.95Å; Y1201-E1203 HydrophobicContact CE1-CG 3.78Å; Y1201-E1203 WeakPolarHBondContact CE1-OE1 3.34Å; Y1201-E1203 VanDerWaalsContact OH-CD 3.31Å; Y1201-E1203 WeakPolarHBondContact OH-CG 3.39Å; Y1201-E1203 PolarHBondContact OH-OE1 3.47Å; Y1201-S1230 PolarHBondContact OH-OG 3.11Å; Y1201-Q1231 WeakPolarHBondContact CA-O 3.46Å; Y1201-Q1231 WeakPolarHBondContact CD2-O 3.06Å; Y1201-L1232 HydrophobicContact CD2-CD2 3.75Å; Y1201-L1232 HydrophobicContact CD2-CG 4.38Å; Y1201-L1232 HydrophobicContact CG-CD2 4.49Å; Y1201-I1259 HydrophobicContact CD2-CD1 4.33Å; Y1201-I1259 HydrophobicContact CE2-CD1 3.78Å |
| 1202 | R | 97.2 | Very high | 87.2 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150.8 | 175.8 | -57.1 | -173.2 | -178 | 82.3 | 9.3 | 111.2 | R1192 E1193 F1204 S1230 Q1231 | R1192-R1202 CarbonylContact O-C 3.54Å; R1192-R1202 VanDerWaalsContact O-CA 3.28Å; R1192-R1202 WeakPolarHBondContact O-CA 3.46Å; E1193-R1202 HydrophobicContact CB-CG 4.24Å; E1193-R1202 HydrophobicContact CG-CG 4.05Å; E1193-R1202 IonicContact OE1-CZ 2.69Å; E1193-R1202 IonicContact OE1-NE 2.8Å; E1193-R1202 PolarHBondContact OE1-NE 3.06Å; E1193-R1202 IonicContact OE1-NH2 3.17Å; E1193-R1202 PolarHBondContact OE1-NH2 2.96Å; E1193-R1202 IonicContact OE2-NE 2.69Å; R1202-F1204 HydrophobicContact CB-CE1 3.99Å; R1202-F1204 HydrophobicContact CB-CE2 4.24Å; R1202-F1204 HydrophobicContact CB-CZ 3.67Å; R1202-F1204 HydrophobicContact CG-CZ 4.4Å; R1202-S1230 CarbonylContact O-C 3.55Å; R1202-S1230 WeakPolarHBondContact O-CA 3.31Å; R1202-Q1231 HydrophobicContact CB-CB 4.34Å; R1202-Q1231 PolarHBondContact N-O 3Å; R1202-Q1231 PolarHBondContact O-N 3.36Å |
| 1203 | E | 97.7 | Very high | 85.1 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.2 | 167.4 | -66.3 | -178.7 | -145.1 | 0 | 0 | 110.1 | V1191 R1192 Y1201 R1228 | V1191-E1203 HydrophobicContact CG2-CB 3.95Å; V1191-E1203 VanDerWaalsContact CG2-O 3.3Å; V1191-E1203 WeakPolarHBondContact CG2-O 3.34Å; V1191-E1203 PolarHBondContact N-O 2.96Å; R1192-E1203 HydrophobicContact CB-CB 3.77Å; R1192-E1203 HydrophobicContact CB-CG 4.04Å; R1192-E1203 WeakPolarHBondContact CD-OE1 3.41Å; R1192-E1203 IonicContact CZ-OE1 3.76Å; R1192-E1203 PolarHBondContact N-O 3.1Å; R1192-E1203 IonicContact NE-OE1 2.72Å; R1192-E1203 IonicContact NH1-OE1 3.94Å; R1192-E1203 PolarHBondContact NH1-OE1 2.81Å; R1192-E1203 PolarHBondContact O-N 3.35Å; Y1201-E1203 HydrophobicContact CE1-CG 3.78Å; Y1201-E1203 WeakPolarHBondContact CE1-OE1 3.34Å; Y1201-E1203 VanDerWaalsContact OH-CD 3.31Å; Y1201-E1203 WeakPolarHBondContact OH-CG 3.39Å; Y1201-E1203 PolarHBondContact OH-OE1 3.47Å; E1203-R1228 IonicContact OE2-CZ 2.81Å; E1203-R1228 IonicContact OE2-NH1 3.61Å; E1203-R1228 PolarHBondContact OE2-NH1 2.91Å |
| 1204 | F | 97.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.4 | 176.6 | -45.2 | -69.8 | 0 | 0 | 0 | 110.9 | W1131 W1160 L1188 K1189 T1190 R1202 R1228 I1229 Q1231 | W1131-F1204 AromaticContact CH2-CD2 3.6Å; W1131-F1204 HydrophobicContact CH2-CD2 3.6Å; W1131-F1204 AromaticContact CH2-CE2 3.84Å; W1131-F1204 HydrophobicContact CH2-CE2 3.84Å; W1131-F1204 HydrophobicContact CH2-CG 4.15Å; W1131-F1204 HydrophobicContact CZ2-CD2 4.39Å; W1131-F1204 HydrophobicContact CZ2-CE2 4.36Å; W1131-F1204 HydrophobicContact CZ3-CD2 4.44Å; W1160-F1204 HydrophobicContact CB-CD1 4.37Å; W1160-F1204 HydrophobicContact CB-CE1 3.47Å; W1160-F1204 VanDerWaalsContact CB-CE1 3.47Å; W1160-F1204 HydrophobicContact CB-CZ 3.63Å; W1160-F1204 AromaticContact CG-CE1 3.99Å; W1160-F1204 HydrophobicContact CG-CE1 3.99Å; W1160-F1204 AromaticContact CG-CZ 3.96Å; W1160-F1204 HydrophobicContact CG-CZ 3.96Å; L1188-F1204 HydrophobicContact CD1-CB 3.7Å; L1188-F1204 HydrophobicContact CD1-CG 4.25Å; K1189-F1204 CarbonylContact O-C 3.56Å; K1189-F1204 VanDerWaalsContact O-CA 3.24Å; K1189-F1204 WeakPolarHBondContact O-CA 3.11Å; T1190-F1204 HydrophobicContact CG2-CD1 4.11Å; T1190-F1204 HydrophobicContact CG2-CE1 3.96Å; T1190-F1204 VanDerWaalsContact OG1-CD1 3.3Å; T1190-F1204 WeakPolarHBondContact OG1-CD1 3.47Å; T1190-F1204 VanDerWaalsContact OG1-CE1 3.31Å; T1190-F1204 WeakPolarHBondContact OG1-CE1 3.33Å; R1202-F1204 HydrophobicContact CB-CE1 3.99Å; R1202-F1204 HydrophobicContact CB-CE2 4.24Å; R1202-F1204 HydrophobicContact CB-CZ 3.67Å; R1202-F1204 HydrophobicContact CG-CZ 4.4Å; F1204-R1228 CarbonylContact O-C 3.59Å; F1204-R1228 WeakPolarHBondContact O-CA 3.39Å; F1204-I1229 PolarHBondContact N-O 3.23Å; F1204-I1229 PolarHBondContact O-N 2.91Å; F1204-Q1231 HydrophobicContact CE2-CB 3.66Å; F1204-Q1231 HydrophobicContact CZ-CB 4.25Å |
| 1205 | D | 96.3 | Very high | 81.1 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.9 | 159.2 | -75.6 | -36.4 | 0 | 0 | 0 | 108.6 | L1188 K1189 V1191 T1226 R1228 | L1188-D1205 WeakPolarHBondContact CA-O 3.41Å; K1189-D1205 PolarHBondContact N-O 2.94Å; K1189-D1205 PolarHBondContact O-N 2.99Å; V1191-D1205 HydrophobicContact CG1-CB 4.43Å; D1205-T1226 HydrophobicContact CB-CG2 4.18Å; D1205-R1228 IonicContact OD1-CZ 3.02Å; D1205-R1228 VanDerWaalsContact OD1-CZ 3.24Å; D1205-R1228 IonicContact OD1-NE 2.71Å; D1205-R1228 PolarHBondContact OD1-NE 3.03Å; D1205-R1228 IonicContact OD1-NH2 2.63Å; D1205-R1228 PolarHBondContact OD1-NH2 3.15Å; D1205-R1228 IonicContact OD2-CZ 2.69Å; D1205-R1228 IonicContact OD2-NE 3.67Å; D1205-R1228 IonicContact OD2-NH2 2.66Å; D1205-R1228 PolarHBondContact OD2-NH2 2.99Å |
| 1206 | I | 94.5 | Very high | 79.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.1 | 171 | -171.1 | 169.4 | 0 | 0 | 0 | 109.9 | W1131 W1135 L1186 Q1187 L1188 T1226 R1227 I1229 | W1131-I1206 HydrophobicContact CB-CD1 4.35Å; W1131-I1206 HydrophobicContact CE3-CD1 4Å; W1135-I1206 HydrophobicContact CB-CD1 4.45Å; W1135-I1206 HydrophobicContact CE3-CD1 4.3Å; W1135-I1206 HydrophobicContact CE3-CG1 4.09Å; W1135-I1206 HydrophobicContact CE3-CG2 3.91Å; W1135-I1206 HydrophobicContact CZ3-CG2 4.09Å; L1186-I1206 HydrophobicContact CB-CD1 4.46Å; L1186-I1206 HydrophobicContact CD1-CD1 4.35Å; L1186-I1206 HydrophobicContact CD2-CD1 4.15Å; L1186-I1206 HydrophobicContact CD2-CG1 4.13Å; Q1187-I1206 CarbonylContact O-C 3.58Å; Q1187-I1206 VanDerWaalsContact O-CA 3.32Å; Q1187-I1206 WeakPolarHBondContact O-CA 3.39Å; L1188-I1206 HydrophobicContact CD1-CB 3.99Å; L1188-I1206 HydrophobicContact CD1-CD1 4.48Å; L1188-I1206 HydrophobicContact CD1-CG1 4.38Å; I1206-T1226 CarbonylContact O-C 3.53Å; I1206-T1226 WeakPolarHBondContact O-CA 3.33Å; I1206-R1227 HydrophobicContact CG2-CB 4.1Å; I1206-R1227 PolarHBondContact N-O 2.94Å; I1206-R1227 PolarHBondContact O-N 3.34Å; I1206-I1229 HydrophobicContact CG2-CD1 3.59Å; I1206-I1229 HydrophobicContact CG2-CG1 3.99Å |
| 1207 | S | 91.7 | Very high | 77.7 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 150.4 | 179.7 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | L1186 Q1187 E1225 T1226 | L1186-S1207 WeakPolarHBondContact CA-O 3.47Å; Q1187-S1207 PolarHBondContact N-O 3.12Å; Q1187-S1207 PolarHBondContact O-N 3.14Å; S1207-E1225 WeakPolarHBondContact CA-O 3.42Å; S1207-E1225 WeakPolarHBondContact CB-O 3.47Å; S1207-T1226 WeakPolarHBondContact CB-OG1 3.17Å |
| 1208 | Q | 85.5 | Confident | 76.3 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 113.3 | 177 | -171.3 | 176.3 | 16.3 | 0 | 0 | 109.8 | W1135 T1184 L1186 E1225 | W1135-Q1208 HydrophobicContact CH2-CB 4.12Å; W1135-Q1208 HydrophobicContact CZ2-CB 3.6Å; T1184-Q1208 HydrophobicContact CG2-CG 4.06Å; T1184-Q1208 PolarHBondContact OG1-NE2 3.32Å; L1186-Q1208 HydrophobicContact CD2-CB 4.28Å; Q1208-E1225 PolarHBondContact N-O 2.91Å |
| 1209 | I | 80.6 | Confident | 74.8 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 18% | 0.179 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 145.3 | -179.2 | 61.4 | 168.6 | 0 | 0 | 0 | 111.1 | T1184 D1185 Q1187 S1211 | T1184-I1209 WeakPolarHBondContact CA-O 3.24Å; T1184-I1209 WeakPolarHBondContact CB-O 3.41Å; D1185-I1209 HydrophobicContact CB-CD1 4.22Å; D1185-I1209 HydrophobicContact CB-CG1 3.89Å; D1185-I1209 PolarHBondContact N-O 3.3Å; D1185-I1209 WeakPolarHBondContact O-CG1 3.13Å; D1185-I1209 PolarHBondContact O-N 2.97Å; Q1187-I1209 HydrophobicContact CB-CD1 4.2Å; Q1187-I1209 HydrophobicContact CB-CG1 4.39Å; Q1187-I1209 HydrophobicContact CB-CG2 4Å; I1209-S1211 PolarHBondContact O-N 3.11Å |
| 1210 | P | 70.1 | Confident | 73 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 131.1 | 170.3 | -21.5 | 34.2 | 0 | 0 | 0 | 110.2 | A1214 V1219 | P1210-A1214 HydrophobicContact CB-CB 3.87Å; P1210-V1219 HydrophobicContact CB-CG2 4.08Å; P1210-V1219 HydrophobicContact CG-CG1 4.33Å; P1210-V1219 HydrophobicContact CG-CG2 4.14Å |
| 1211 | S | 64.2 | Low | 71.1 | Confident | 9 Ų | 9 | 78.2 Ų | 78.2 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 158.8 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | S1183 D1185 I1209 R1213 A1214 | S1183-S1211 VanDerWaalsContact CB-OG 3.24Å; S1183-S1211 WeakPolarHBondContact CB-OG 3.47Å; S1183-S1211 WeakPolarHBondContact O-CB 3.24Å; S1183-S1211 PolarHBondContact O-N 3.32Å; S1183-S1211 PolarHBondContact O-OG 3.12Å; S1183-S1211 WeakPolarHBondContact OG-CB 3.14Å; S1183-S1211 PolarHBondContact OG-OG 2.66Å; D1185-S1211 VanDerWaalsContact OD2-CA 3.27Å; D1185-S1211 WeakPolarHBondContact OD2-CA 3.4Å; D1185-S1211 WeakPolarHBondContact OD2-CB 3.39Å; I1209-S1211 PolarHBondContact O-N 3.11Å; S1211-R1213 PolarHBondContact O-N 2.9Å; S1211-A1214 WeakPolarHBondContact O-CB 2.97Å; S1211-A1214 PolarHBondContact O-N 3.16Å |
| 1212 | H | 57.7 | Low | 69.2 | Low | 196 Ų | 196 | 85.1 Ų | 85.1 | 91% | 0.907 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 4.2 | -172.3 | -143.8 | -58.6 | 0 | 0 | 0 | 115.9 | ||
| 1213 | R | 52.7 | Low | 67.2 | Low | 244 Ų | 244 | 94 Ų | 94 | 92% | 0.921 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -2.6 | 170.4 | -68.9 | -171.5 | 178.2 | -170.1 | 1.1 | 114.1 | S1211 | S1211-R1213 PolarHBondContact O-N 2.9Š|
| 1214 | A | 51.6 | Low | 65.8 | Low | 37 Ų | 37 | 96.4 Ų | 96.4 | 31% | 0.306 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -70.6 | 133.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1210 S1211 | P1210-A1214 HydrophobicContact CB-CB 3.87Å; S1211-A1214 WeakPolarHBondContact O-CB 2.97Å; S1211-A1214 PolarHBondContact O-N 3.16Å |
| 1215 | S | 50.1 | Low | 65.1 | Low | 78 Ų | 78 | 100.8 Ų | 100.8 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | trans | -71.1 | 147.1 | 175.1 | 62 | 0 | 0 | 0 | 0 | 111.1 | Q1217 S1218 | S1215-Q1217 PolarHBondContact O-N 2.92Å; S1215-S1218 PolarHBondContact O-N 2.95Å; S1215-S1218 PolarHBondContact O-OG 2.78Å; S1215-S1218 VanDerWaalsContact O-OG 3.07Å | ||
| 1216 | L | 52.1 | Low | 64.8 | Low | 142 Ų | 142 | 102.5 Ų | 102.5 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -50.7 | -29.2 | -178.1 | -75.2 | 164.5 | 0 | 0 | 0 | 114 | L1220 | L1216-L1220 WeakPolarHBondContact O-CG 3.28Å |
| 1217 | Q | 50.9 | Low | 64.8 | Low | 165 Ų | 165 | 104.8 Ų | 104.8 | 77% | 0.771 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.3 | -21.7 | 178.4 | -72.1 | 179.9 | -18.4 | 0 | 0 | 114.9 | S1215 | S1215-Q1217 PolarHBondContact O-N 2.92Å |
| 1218 | S | 50.8 | Low | 65 | Low | 60 Ų | 60 | 109.9 Ų | 109.9 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -86.8 | -28.2 | 174.5 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | S1215 | S1215-S1218 PolarHBondContact O-N 2.95Å; S1215-S1218 PolarHBondContact O-OG 2.78Å; S1215-S1218 VanDerWaalsContact O-OG 3.07Å |
| 1219 | V | 51.2 | Low | 65.5 | Low | 65 Ų | 65 | 107.3 Ų | 107.3 | 39% | 0.394 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | P1210 R1221 | P1210-V1219 HydrophobicContact CB-CG2 4.08Å; P1210-V1219 HydrophobicContact CG-CG1 4.33Å; P1210-V1219 HydrophobicContact CG-CG2 4.14Å; V1219-R1221 PolarHBondContact O-N 2.82Å; V1219-R1221 VanDerWaalsContact O-N 3.07Å |
| 1220 | L | 52.6 | Low | 66.4 | Low | 148 Ų | 148 | 106.2 Ų | 106.2 | 78% | 0.775 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 5 | -174.4 | -70.4 | 167.3 | 0 | 0 | 0 | 115.8 | L1216 | L1216-L1220 WeakPolarHBondContact O-CG 3.28Š|
| 1221 | R | 52.3 | Low | 67.7 | Low | 229 Ų | 229 | 103.8 Ų | 103.8 | 86% | 0.864 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | 5.5 | -172.3 | -76.8 | -171.2 | 171.6 | -170 | -1.4 | 116.2 | V1219 | V1219-R1221 PolarHBondContact O-N 2.82Å; V1219-R1221 VanDerWaalsContact O-N 3.07Å |
| 1222 | K | 55.9 | Low | 69.3 | Low | 178 Ų | 178 | 103.3 Ų | 103.3 | 77% | 0.774 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -128 | 122.4 | 172.7 | -75 | -173.1 | 173.6 | -174.8 | 0 | 110.6 | T1224 | K1222-T1224 PolarHBondContact O-N 2.89Š|
| 1223 | Q | 55.8 | Low | 71.1 | Confident | 200 Ų | 200 | 94.4 Ų | 94.4 | 94% | 0.935 | 46% | 0.457 | S | S | * | . | trans | -63.9 | 119.2 | 169.5 | -169 | 172.7 | 15.7 | 0 | 0 | 108.2 | E1225 | Q1223-E1225 PolarHBondContact O-N 3.05Š| ||
| 1224 | T | 68.2 | Low | 73.1 | Confident | 75 Ų | 75 | 82.8 Ų | 82.8 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | trans | -71.5 | 109.4 | -178 | 46.4 | 0 | 0 | 0 | 0 | 110 | K1222 T1226 | K1222-T1224 PolarHBondContact O-N 2.89Å; T1224-T1226 PolarHBondContact O-N 3.02Å; T1224-T1226 PolarHBondContact O-OG1 3.13Å | ||
| 1225 | E | 83.4 | Confident | 74.7 | Confident | 92 Ų | 92 | 83.6 Ų | 83.6 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | trans | -59.7 | 131.2 | 173.2 | -170.5 | -175.3 | -178.4 | 0 | 0 | 109.3 | W1135 S1207 Q1208 Q1223 R1227 | W1135-E1225 HydrophobicContact CH2-CB 3.93Å; W1135-E1225 HydrophobicContact CH2-CG 3.98Å; W1135-E1225 WeakPolarHBondContact CH2-O 3.38Å; W1135-E1225 HydrophobicContact CZ2-CB 4.3Å; S1207-E1225 WeakPolarHBondContact CA-O 3.42Å; S1207-E1225 WeakPolarHBondContact CB-O 3.47Å; Q1208-E1225 PolarHBondContact N-O 2.91Å; Q1223-E1225 PolarHBondContact O-N 3.05Å; E1225-R1227 VanDerWaalsContact CD-NE 3.35Å; E1225-R1227 HydrophobicContact CG-CG 4.41Å; E1225-R1227 IonicContact OE1-CZ 3.24Å; E1225-R1227 VanDerWaalsContact OE1-CZ 3.24Å; E1225-R1227 IonicContact OE1-NE 2.72Å; E1225-R1227 PolarHBondContact OE1-NE 2.97Å; E1225-R1227 IonicContact OE1-NH2 2.96Å; E1225-R1227 PolarHBondContact OE1-NH2 3.12Å; E1225-R1227 IonicContact OE2-CZ 3.61Å; E1225-R1227 IonicContact OE2-NE 3.21Å; E1225-R1227 IonicContact OE2-NH2 3.65Å; E1225-R1227 PolarHBondContact OE2-NH2 3.36Å | ||
| 1226 | T | 89.8 | Confident | 76.1 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.2 | 176.2 | -55.8 | 0 | 0 | 0 | 0 | 108.1 | D1205 I1206 S1207 T1224 | D1205-T1226 HydrophobicContact CB-CG2 4.18Å; I1206-T1226 CarbonylContact O-C 3.53Å; I1206-T1226 WeakPolarHBondContact O-CA 3.33Å; S1207-T1226 WeakPolarHBondContact CB-OG1 3.17Å; T1224-T1226 PolarHBondContact O-N 3.02Å; T1224-T1226 PolarHBondContact O-OG1 3.13Å |
| 1227 | R | 94 | Very high | 77.5 | Confident | 48 Ų | 48 | 75 Ų | 75 | 18% | 0.181 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.1 | -177.6 | -58.2 | -177.3 | -169.9 | 145 | 8.6 | 110.4 | W1135 I1206 E1225 | W1135-R1227 HydrophobicContact CH2-CG 4.33Å; W1135-R1227 HydrophobicContact CZ3-CB 4.36Å; W1135-R1227 HydrophobicContact CZ3-CG 3.88Å; W1135-R1227 PolarHBondContact O-NH1 3.4Å; I1206-R1227 HydrophobicContact CG2-CB 4.1Å; I1206-R1227 PolarHBondContact N-O 2.94Å; I1206-R1227 PolarHBondContact O-N 3.34Å; E1225-R1227 VanDerWaalsContact CD-NE 3.35Å; E1225-R1227 HydrophobicContact CG-CG 4.41Å; E1225-R1227 IonicContact OE1-CZ 3.24Å; E1225-R1227 VanDerWaalsContact OE1-CZ 3.24Å; E1225-R1227 IonicContact OE1-NE 2.72Å; E1225-R1227 PolarHBondContact OE1-NE 2.97Å; E1225-R1227 IonicContact OE1-NH2 2.96Å; E1225-R1227 PolarHBondContact OE1-NH2 3.12Å; E1225-R1227 IonicContact OE2-CZ 3.61Å; E1225-R1227 IonicContact OE2-NE 3.21Å; E1225-R1227 IonicContact OE2-NH2 3.65Å; E1225-R1227 PolarHBondContact OE2-NH2 3.36Å |
| 1228 | R | 95.5 | Very high | 78.4 | Confident | 120 Ų | 120 | 69.4 Ų | 69.4 | 45% | 0.453 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125 | 173.1 | -179 | 59 | 53.9 | 103.9 | -0.3 | 109.2 | E1203 F1204 D1205 | E1203-R1228 IonicContact OE2-CZ 2.81Å; E1203-R1228 IonicContact OE2-NH1 3.61Å; E1203-R1228 PolarHBondContact OE2-NH1 2.91Å; F1204-R1228 CarbonylContact O-C 3.59Å; F1204-R1228 WeakPolarHBondContact O-CA 3.39Å; D1205-R1228 IonicContact OD1-CZ 3.02Å; D1205-R1228 VanDerWaalsContact OD1-CZ 3.24Å; D1205-R1228 IonicContact OD1-NE 2.71Å; D1205-R1228 PolarHBondContact OD1-NE 3.03Å; D1205-R1228 IonicContact OD1-NH2 2.63Å; D1205-R1228 PolarHBondContact OD1-NH2 3.15Å; D1205-R1228 IonicContact OD2-CZ 2.69Å; D1205-R1228 IonicContact OD2-NE 3.67Å; D1205-R1228 IonicContact OD2-NH2 2.66Å; D1205-R1228 PolarHBondContact OD2-NH2 2.99Å |
| 1229 | I | 97 | Very high | 79 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.7 | 176.3 | -56.2 | -172.3 | 0 | 0 | 0 | 108.7 | W1131 C1134 V1139 I1142 F1204 I1206 | W1131-I1229 HydrophobicContact CZ3-CD1 4.1Å; C1134-I1229 HydrophobicContact CB-CD1 4.26Å; V1139-I1229 VanDerWaalsContact O-CD1 3.25Å; V1139-I1229 WeakPolarHBondContact O-CD1 3.31Å; V1139-I1229 VanDerWaalsContact O-CG1 3.3Å; V1139-I1229 WeakPolarHBondContact O-CG1 3.37Å; I1142-I1229 HydrophobicContact CD1-CG2 3.84Å; I1142-I1229 HydrophobicContact CG1-CG2 3.97Å; F1204-I1229 PolarHBondContact N-O 3.23Å; F1204-I1229 PolarHBondContact O-N 2.91Å; I1206-I1229 HydrophobicContact CG2-CD1 3.59Å; I1206-I1229 HydrophobicContact CG2-CG1 3.99Å |
| 1230 | S | 97.6 | Very high | 79.4 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 148.5 | 170.3 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | C1140 L1141 I1142 Y1201 R1202 | C1140-S1230 PolarHBondContact O-N 3.46Å; L1141-S1230 CarbonylContact C-O 3.56Å; L1141-S1230 WeakPolarHBondContact CA-O 3.31Å; I1142-S1230 PolarHBondContact N-O 2.65Å; Y1201-S1230 PolarHBondContact OH-OG 3.11Å; R1202-S1230 CarbonylContact O-C 3.55Å; R1202-S1230 WeakPolarHBondContact O-CA 3.31Å |
| 1231 | Q | 98 | Very high | 80.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.9 | 164.1 | 178.3 | -159.7 | 66.2 | 0 | 0 | 109.9 | I1142 Y1159 Y1201 R1202 F1204 | I1142-Q1231 HydrophobicContact CB-CB 4.3Å; I1142-Q1231 HydrophobicContact CB-CG 4.3Å; I1142-Q1231 HydrophobicContact CG2-CG 4.42Å; I1142-Q1231 CarbonylContact O-C 3.48Å; I1142-Q1231 VanDerWaalsContact O-CA 3.22Å; I1142-Q1231 WeakPolarHBondContact O-CA 3.39Å; Y1159-Q1231 PolarHBondContact OH-NE2 3.15Å; Y1201-Q1231 WeakPolarHBondContact CA-O 3.46Å; Y1201-Q1231 WeakPolarHBondContact CD2-O 3.06Å; R1202-Q1231 HydrophobicContact CB-CB 4.34Å; R1202-Q1231 PolarHBondContact N-O 3Å; R1202-Q1231 PolarHBondContact O-N 3.36Å; F1204-Q1231 HydrophobicContact CE2-CB 3.66Å; F1204-Q1231 HydrophobicContact CZ-CB 4.25Å |
| 1232 | L | 97.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.7 | 166.3 | -74.4 | 172 | 0 | 0 | 0 | 108.8 | L1141 I1142 V1143 M1144 Y1201 F1252 Q1255 V1256 I1259 | L1141-L1232 HydrophobicContact CD1-CD1 4.29Å; L1141-L1232 HydrophobicContact CD1-CG 4.25Å; I1142-L1232 PolarHBondContact O-N 3.35Å; V1143-L1232 CarbonylContact C-O 3.58Å; V1143-L1232 WeakPolarHBondContact CA-O 3.31Å; M1144-L1232 PolarHBondContact N-O 3.31Å; Y1201-L1232 HydrophobicContact CD2-CD2 3.75Å; Y1201-L1232 HydrophobicContact CD2-CG 4.38Å; Y1201-L1232 HydrophobicContact CG-CD2 4.49Å; L1232-F1252 HydrophobicContact CB-CE2 3.9Å; L1232-F1252 HydrophobicContact CB-CZ 3.86Å; L1232-Q1255 HydrophobicContact CD1-CB 4.17Å; L1232-Q1255 HydrophobicContact CD1-CG 3.96Å; L1232-Q1255 VanDerWaalsContact CD2-CD 3.45Å; L1232-Q1255 HydrophobicContact CD2-CG 4.07Å; L1232-V1256 HydrophobicContact CD1-CG2 3.78Å; L1232-I1259 HydrophobicContact CD1-CD1 3.98Å; L1232-I1259 HydrophobicContact CD2-CD1 4.31Å; L1232-I1259 HydrophobicContact CG-CD1 4.17Å |
| 1233 | Q | 96.4 | Very high | 83.2 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.2 | 177.4 | 178.7 | 177.6 | 19 | 0 | 0 | 110.7 | M1144 T1146 I1199 A1200 I1235 | M1144-Q1233 HydrophobicContact CB-CB 4.06Å; M1144-Q1233 HydrophobicContact CB-CG 4.08Å; M1144-Q1233 HydrophobicContact CG-CB 4.43Å; M1144-Q1233 HydrophobicContact CG-CG 3.92Å; M1144-Q1233 CarbonylContact O-C 3.6Å; M1144-Q1233 WeakPolarHBondContact O-CA 3.15Å; M1144-Q1233 HydrophobicContact SD-CG 4.34Å; T1146-Q1233 PolarHBondContact O-NE2 2.99Å; I1199-Q1233 WeakPolarHBondContact CA-O 3.26Å; A1200-Q1233 HydrophobicContact CB-CB 4.19Å; A1200-Q1233 PolarHBondContact N-O 2.58Å; A1200-Q1233 PolarHBondContact O-N 2.9Å; Q1233-I1235 HydrophobicContact CG-CG1 4.02Å |
| 1234 | Y | 94 | Very high | 84.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 110.3 | 166.8 | -157.3 | -57 | 0 | 0 | 0 | 107.8 | M1144 T1146 W1237 Q1248 L1249 F1252 | M1144-Y1234 PolarHBondContact O-N 2.73Å; T1146-Y1234 PolarHBondContact N-O 2.65Å; Y1234-W1237 HydrophobicContact CD1-CB 3.86Å; Y1234-W1237 HydrophobicContact CE1-CB 4.28Å; Y1234-W1237 HydrophobicContact CG-CE3 4.35Å; Y1234-Q1248 HydrophobicContact CE2-CG 4.39Å; Y1234-Q1248 VanDerWaalsContact OH-CD 3.28Å; Y1234-Q1248 PolarHBondContact OH-OE1 3.11Å; Y1234-L1249 HydrophobicContact CD2-CD1 4.3Å; Y1234-L1249 HydrophobicContact CE2-CB 4.43Å; Y1234-L1249 HydrophobicContact CE2-CD1 4.1Å; Y1234-F1252 HydrophobicContact CD2-CB 4.21Å; Y1234-F1252 HydrophobicContact CD2-CD1 4.07Å; Y1234-F1252 AromaticContact CD2-CD2 3.97Å; Y1234-F1252 HydrophobicContact CD2-CD2 3.97Å; Y1234-F1252 HydrophobicContact CD2-CE1 4.41Å; Y1234-F1252 HydrophobicContact CD2-CE2 4.31Å; Y1234-F1252 AromaticContact CD2-CG 3.83Å; Y1234-F1252 HydrophobicContact CD2-CG 3.83Å; Y1234-F1252 HydrophobicContact CE2-CB 4.37Å; Y1234-F1252 HydrophobicContact CE2-CG 4.47Å |
| 1235 | I | 86.8 | Confident | 85.2 | Confident | 53 Ų | 53 | 42.5 Ų | 42.5 | 27% | 0.272 | 23% | 0.226 | S | C | . | . | trans | -82.7 | -44.9 | -167.9 | -57.2 | 170.4 | 0 | 0 | 0 | 111.7 | I1195 D1198 A1200 Q1233 W1237 | I1195-I1235 HydrophobicContact CG2-CD1 4Å; D1198-I1235 WeakPolarHBondContact O-CB 3.21Å; D1198-I1235 WeakPolarHBondContact O-CG1 3.45Å; D1198-I1235 PolarHBondContact O-N 3.41Å; A1200-I1235 HydrophobicContact CB-CD1 4.09Å; Q1233-I1235 HydrophobicContact CG-CG1 4.02Å; I1235-W1237 PolarHBondContact O-N 3.3Å | ||
| 1236 | S | 77.8 | Confident | 85.6 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -89.5 | 4 | -168 | 65.5 | 0 | 0 | 0 | 0 | 116 | D1198 P1238 | D1198-S1236 WeakPolarHBondContact CB-OG 3.2Å; D1198-S1236 VanDerWaalsContact OD2-CB 3.27Å; D1198-S1236 WeakPolarHBondContact OD2-CB 3.16Å; D1198-S1236 PolarHBondContact OD2-OG 3.18Å; S1236-P1238 VanDerWaalsContact O-CD 3.28Å; S1236-P1238 WeakPolarHBondContact O-CD 3.34Å |
| 1237 | W | 82.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 116.6 | -179.6 | -167.1 | -26.7 | 0 | 0 | 0 | 110.1 | L1145 Y1234 I1235 G1241 P1243 L1249 R1277 V1280 | L1145-W1237 HydrophobicContact CB-CE3 4.23Å; L1145-W1237 HydrophobicContact CB-CZ3 4.49Å; L1145-W1237 HydrophobicContact CD1-CH2 4.44Å; L1145-W1237 HydrophobicContact CD1-CZ3 3.99Å; L1145-W1237 HydrophobicContact CD2-CE3 4.04Å; L1145-W1237 HydrophobicContact CD2-CZ3 3.87Å; L1145-W1237 HydrophobicContact CG-CE3 4.5Å; L1145-W1237 HydrophobicContact CG-CZ3 4.34Å; Y1234-W1237 HydrophobicContact CD1-CB 3.86Å; Y1234-W1237 HydrophobicContact CE1-CB 4.28Å; Y1234-W1237 HydrophobicContact CG-CE3 4.35Å; I1235-W1237 PolarHBondContact O-N 3.3Å; W1237-G1241 PolarHBondContact NE1-O 3.06Å; W1237-P1243 HydrophobicContact CD2-CG 3.6Å; W1237-P1243 HydrophobicContact CE3-CG 3.92Å; W1237-P1243 HydrophobicContact CG-CG 3.99Å; W1237-P1243 HydrophobicContact CH2-CG 4.33Å; W1237-P1243 HydrophobicContact CZ2-CG 4.03Å; W1237-P1243 HydrophobicContact CZ3-CG 4.27Å; W1237-L1249 HydrophobicContact CE3-CD1 4.33Å; W1237-L1249 HydrophobicContact CH2-CD1 4.17Å; W1237-L1249 HydrophobicContact CZ3-CD1 3.67Å; W1237-R1277 HydrophobicContact CD2-CB 4.02Å; W1237-R1277 HydrophobicContact CD2-CG 4.05Å; W1237-R1277 HydrophobicContact CE3-CB 4.35Å; W1237-R1277 HydrophobicContact CG-CG 4.18Å; W1237-R1277 HydrophobicContact CH2-CB 4.08Å; W1237-R1277 HydrophobicContact CZ2-CB 3.72Å; W1237-R1277 HydrophobicContact CZ2-CG 4.15Å; W1237-R1277 HydrophobicContact CZ3-CB 4.39Å; W1237-R1277 VanDerWaalsContact O-CZ 3.26Å; W1237-R1277 PolarHBondContact O-NH1 3.47Å; W1237-V1280 HydrophobicContact CH2-CB 3.89Å; W1237-V1280 HydrophobicContact CH2-CG1 3.7Å; W1237-V1280 HydrophobicContact CZ2-CB 3.82Å; W1237-V1280 HydrophobicContact CZ2-CG1 3.68Å; W1237-V1280 HydrophobicContact CZ2-CG2 4.39Å |
| 1238 | P | 69.9 | Low | 85.5 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 31% | 0.312 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -72 | 158.2 | -177.6 | 29.9 | -36.8 | 0 | 0 | 0 | 113.6 | S1236 V1242 R1277 | S1236-P1238 VanDerWaalsContact O-CD 3.28Å; S1236-P1238 WeakPolarHBondContact O-CD 3.34Å; P1238-V1242 WeakPolarHBondContact CD-O 3.37Å; P1238-V1242 VanDerWaalsContact CG-O 3.28Å; P1238-V1242 WeakPolarHBondContact CG-O 3.25Å; P1238-R1277 PolarHBondContact O-NE 3.28Å |
| 1239 | D | 63.9 | Low | 85.4 | Confident | 42 Ų | 42 | 33.9 Ų | 33.9 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -76 | 139.5 | 179.6 | -141.5 | 7.1 | 0 | 0 | 0 | 113.9 | K1155 G1241 R1277 | K1155-D1239 VanDerWaalsContact CE-OD2 3.32Å; K1155-D1239 WeakPolarHBondContact CE-OD2 3.49Å; K1155-D1239 IonicContact NZ-OD2 3.86Å; K1155-D1239 PolarHBondContact NZ-OD2 2.96Å; D1239-G1241 PolarHBondContact O-N 3.36Å; D1239-R1277 IonicContact OD1-CZ 3.18Å; D1239-R1277 IonicContact OD1-NE 2.73Å; D1239-R1277 IonicContact OD1-NH2 2.72Å; D1239-R1277 PolarHBondContact OD1-NH2 3.2Å; D1239-R1277 IonicContact OD2-NH2 2.83Å |
| 1240 | H | 59.7 | Low | 85.3 | Confident | 60 Ų | 60 | 33.9 Ų | 33.9 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 54.6 | -15.2 | -169.5 | -46.9 | -73.2 | 0 | 0 | 0 | 117.1 | D969 Q1315 T1316 Q1319 | D969-H1240 PolarHBondContact O-CE1 2.88Å; H1240-Q1315 PolarHBondContact ND1-OE1 3.29Å; H1240-T1316 HydrophobicContact CB-CG2 4.33Å; H1240-T1316 PolarHBondContact O-OG1 3.29Å; H1240-Q1319 PolarHBondContact O-NE2 3.36Å; H1240-Q1319 VanDerWaalsContact O-NE2 3.09Å |
| 1241 | G | 71.6 | Confident | 85.1 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -83.1 | -160.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | W1237 D1239 Q1319 | W1237-G1241 PolarHBondContact NE1-O 3.06Å; D1239-G1241 PolarHBondContact O-N 3.36Å; G1241-Q1319 PolarHBondContact O-NE2 3.48Å; G1241-Q1319 VanDerWaalsContact O-NE2 3.15Å |
| 1242 | V | 83 | Confident | 85 | Confident | 42 Ų | 42 | 36.3 Ų | 36.3 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | trans | -126.5 | 161.4 | -174.9 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | P1238 Q1319 F1322 | P1238-V1242 WeakPolarHBondContact CD-O 3.37Å; P1238-V1242 VanDerWaalsContact CG-O 3.28Å; P1238-V1242 WeakPolarHBondContact CG-O 3.25Å; V1242-Q1319 HydrophobicContact CG1-CG 4.18Å; V1242-F1322 HydrophobicContact CB-CB 4.22Å; V1242-F1322 HydrophobicContact CB-CD1 4.19Å; V1242-F1322 HydrophobicContact CB-CD2 3.71Å; V1242-F1322 HydrophobicContact CB-CE2 4.08Å; V1242-F1322 HydrophobicContact CB-CG 3.77Å; V1242-F1322 HydrophobicContact CG1-CB 3.59Å; V1242-F1322 HydrophobicContact CG1-CD1 4.14Å; V1242-F1322 HydrophobicContact CG1-CD2 4.07Å; V1242-F1322 HydrophobicContact CG1-CG 3.67Å; V1242-F1322 HydrophobicContact CG2-CD2 3.82Å; V1242-F1322 HydrophobicContact CG2-CE2 4.25Å; V1242-F1322 HydrophobicContact CG2-CG 4.31Å | ||
| 1243 | P | 86.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | trans | -62 | 144 | 174.6 | -25.5 | 38.6 | 0 | 0 | 0 | 112.4 | W1237 D1245 L1249 F1322 | W1237-P1243 HydrophobicContact CD2-CG 3.6Å; W1237-P1243 HydrophobicContact CE3-CG 3.92Å; W1237-P1243 HydrophobicContact CG-CG 3.99Å; W1237-P1243 HydrophobicContact CH2-CG 4.33Å; W1237-P1243 HydrophobicContact CZ2-CG 4.03Å; W1237-P1243 HydrophobicContact CZ3-CG 4.27Å; P1243-D1245 PolarHBondContact O-N 2.9Å; P1243-L1249 HydrophobicContact CB-CB 4.46Å; P1243-L1249 HydrophobicContact CG-CB 4.33Å; P1243-L1249 HydrophobicContact CG-CD1 4.22Å; P1243-L1249 HydrophobicContact CG-CD2 4.09Å; P1243-L1249 HydrophobicContact CG-CG 4.43Å; P1243-F1322 HydrophobicContact CG-CZ 4.3Å | ||
| 1244 | N | 79.8 | Confident | 84.8 | Confident | 142 Ų | 142 | 37.9 Ų | 37.9 | 76% | 0.759 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -69.7 | -19.5 | 180 | -59.5 | -37.6 | 0 | 0 | 0 | 113.1 | ||
| 1245 | D | 85.5 | Confident | 84.9 | Confident | 72 Ų | 72 | 40.4 Ų | 40.4 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | trans | -131.9 | 114.6 | 179.3 | -176.5 | -20.5 | 0 | 0 | 0 | 109.7 | P1243 D1247 Q1248 L1249 | P1243-D1245 PolarHBondContact O-N 2.9Å; D1245-D1247 WeakPolarHBondContact OD1-CA 3.27Å; D1245-D1247 WeakPolarHBondContact OD1-CB 3.45Å; D1245-D1247 PolarHBondContact OD1-N 3.45Å; D1245-Q1248 HydrophobicContact CB-CB 3.77Å; D1245-Q1248 PolarHBondContact OD1-N 2.89Å; D1245-L1249 PolarHBondContact O-N 2.95Å | ||
| 1246 | T | 91.3 | Very high | 85.3 | Confident | 36 Ų | 36 | 37.9 Ų | 37.9 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70 | -32.6 | 177.9 | -38.8 | 0 | 0 | 0 | 0 | 112.4 | L1249 I1250 F1322 T1326 K1329 | T1246-L1249 PolarHBondContact O-N 3.28Å; T1246-I1250 HydrophobicContact CG2-CD1 4.11Å; T1246-I1250 WeakPolarHBondContact O-CD1 3.3Å; T1246-I1250 VanDerWaalsContact O-CG1 3.24Å; T1246-I1250 WeakPolarHBondContact O-CG1 3.2Å; T1246-I1250 PolarHBondContact O-N 3.42Å; T1246-F1322 HydrophobicContact CG2-CE2 4.28Å; T1246-F1322 HydrophobicContact CG2-CZ 4.1Å; T1246-T1326 HydrophobicContact CG2-CG2 3.94Å; T1246-T1326 WeakPolarHBondContact CG2-OG1 3.41Å; T1246-K1329 HydrophobicContact CG2-CD 3.99Å |
| 1247 | D | 91.7 | Very high | 86.1 | Confident | 83 Ų | 83 | 37.6 Ų | 37.6 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75 | -35.8 | -179.5 | -64.9 | -43.6 | 0 | 0 | 0 | 111.1 | D1245 L1249 I1250 S1251 K1329 | D1245-D1247 WeakPolarHBondContact OD1-CA 3.27Å; D1245-D1247 WeakPolarHBondContact OD1-CB 3.45Å; D1245-D1247 PolarHBondContact OD1-N 3.45Å; D1247-L1249 VanDerWaalsContact C-N 3.32Å; D1247-L1249 PolarHBondContact O-N 2.88Å; D1247-I1250 PolarHBondContact O-N 3.13Å; D1247-S1251 WeakPolarHBondContact O-CB 3.47Å; D1247-S1251 PolarHBondContact O-N 3.43Å; D1247-K1329 WeakPolarHBondContact OD1-CE 3.48Å; D1247-K1329 IonicContact OD1-NZ 3.47Å; D1247-K1329 PolarHBondContact OD1-NZ 2.95Å; D1247-K1329 IonicContact OD2-NZ 3.83Å; D1247-K1329 PolarHBondContact OD2-NZ 3.38Å |
| 1248 | Q | 91 | Very high | 86.7 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 168.1 | -169.1 | -177 | 26 | 0 | 0 | 111.4 | I1199 Y1234 D1245 F1252 | I1199-Q1248 HydrophobicContact CD1-CG 4.4Å; Y1234-Q1248 HydrophobicContact CE2-CG 4.39Å; Y1234-Q1248 VanDerWaalsContact OH-CD 3.28Å; Y1234-Q1248 PolarHBondContact OH-OE1 3.11Å; D1245-Q1248 HydrophobicContact CB-CB 3.77Å; D1245-Q1248 PolarHBondContact OD1-N 2.89Å; Q1248-F1252 WeakPolarHBondContact O-CB 3.12Å; Q1248-F1252 PolarHBondContact O-N 3.5Å |
| 1249 | L | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -45.1 | 174.4 | -177.6 | 70 | 0 | 0 | 0 | 112.6 | Y1234 W1237 P1243 D1245 T1246 D1247 S1251 F1252 V1253 I1284 F1322 | Y1234-L1249 HydrophobicContact CD2-CD1 4.3Å; Y1234-L1249 HydrophobicContact CE2-CB 4.43Å; Y1234-L1249 HydrophobicContact CE2-CD1 4.1Å; W1237-L1249 HydrophobicContact CE3-CD1 4.33Å; W1237-L1249 HydrophobicContact CH2-CD1 4.17Å; W1237-L1249 HydrophobicContact CZ3-CD1 3.67Å; P1243-L1249 HydrophobicContact CB-CB 4.46Å; P1243-L1249 HydrophobicContact CG-CB 4.33Å; P1243-L1249 HydrophobicContact CG-CD1 4.22Å; P1243-L1249 HydrophobicContact CG-CD2 4.09Å; P1243-L1249 HydrophobicContact CG-CG 4.43Å; D1245-L1249 PolarHBondContact O-N 2.95Å; T1246-L1249 PolarHBondContact O-N 3.28Å; D1247-L1249 VanDerWaalsContact C-N 3.32Å; D1247-L1249 PolarHBondContact O-N 2.88Å; L1249-S1251 VanDerWaalsContact C-N 3.3Å; L1249-S1251 PolarHBondContact O-N 3.03Å; L1249-F1252 WeakPolarHBondContact O-CB 3.28Å; L1249-F1252 PolarHBondContact O-N 3.38Å; L1249-F1252 VanDerWaalsContact O-N 3.16Å; L1249-V1253 HydrophobicContact CD1-CG2 4.41Å; L1249-V1253 HydrophobicContact CG-CG2 4.38Å; L1249-V1253 WeakPolarHBondContact O-CG2 3.32Å; L1249-V1253 PolarHBondContact O-N 3.08Å; L1249-I1284 HydrophobicContact CD2-CD1 3.67Å; L1249-F1322 HydrophobicContact CD2-CE1 3.47Å; L1249-F1322 VanDerWaalsContact CD2-CE1 3.47Å; L1249-F1322 HydrophobicContact CD2-CZ 3.81Å |
| 1250 | I | 94.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 178.7 | -70.3 | 161.3 | 0 | 0 | 0 | 109.6 | T1246 D1247 F1252 V1253 E1254 T1326 K1329 V1330 | T1246-I1250 HydrophobicContact CG2-CD1 4.11Å; T1246-I1250 WeakPolarHBondContact O-CD1 3.3Å; T1246-I1250 VanDerWaalsContact O-CG1 3.24Å; T1246-I1250 WeakPolarHBondContact O-CG1 3.2Å; T1246-I1250 PolarHBondContact O-N 3.42Å; D1247-I1250 PolarHBondContact O-N 3.13Å; I1250-F1252 VanDerWaalsContact C-N 3.33Å; I1250-F1252 PolarHBondContact O-N 2.98Å; I1250-V1253 PolarHBondContact O-N 3.32Å; I1250-V1253 VanDerWaalsContact O-N 3.17Å; I1250-E1254 WeakPolarHBondContact CG2-OE1 3.3Å; I1250-E1254 WeakPolarHBondContact O-CG 3.25Å; I1250-E1254 PolarHBondContact O-N 3.08Å; I1250-T1326 HydrophobicContact CD1-CG2 4.16Å; I1250-T1326 HydrophobicContact CG1-CG2 3.84Å; I1250-K1329 HydrophobicContact CD1-CD 4.14Å; I1250-K1329 HydrophobicContact CD1-CG 4.48Å; I1250-V1330 HydrophobicContact CD1-CG2 3.63Å; I1250-V1330 HydrophobicContact CG1-CG2 3.72Å; I1250-V1330 HydrophobicContact CG2-CG2 4.01Å |
| 1251 | S | 93.6 | Very high | 90.8 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -34.8 | 177.2 | -161.7 | 0 | 0 | 0 | 0 | 113.1 | D1247 L1249 Q1255 | D1247-S1251 WeakPolarHBondContact O-CB 3.47Å; D1247-S1251 PolarHBondContact O-N 3.43Å; L1249-S1251 VanDerWaalsContact C-N 3.3Å; L1249-S1251 PolarHBondContact O-N 3.03Å; S1251-Q1255 PolarHBondContact O-N 2.98Å |
| 1252 | F | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 172.1 | -177 | -90.9 | 0 | 0 | 0 | 112.3 | V1143 L1145 I1199 L1232 Y1234 Q1248 L1249 I1250 Q1255 V1256 L1281 | V1143-F1252 HydrophobicContact CG1-CE1 3.65Å; V1143-F1252 HydrophobicContact CG1-CZ 3.8Å; L1145-F1252 HydrophobicContact CD2-CE1 3.82Å; L1145-F1252 HydrophobicContact CD2-CZ 4.21Å; I1199-F1252 HydrophobicContact CD1-CB 4.43Å; I1199-F1252 HydrophobicContact CD1-CD2 3.98Å; I1199-F1252 HydrophobicContact CG1-CD2 4Å; I1199-F1252 HydrophobicContact CG2-CD2 4.09Å; I1199-F1252 HydrophobicContact CG2-CE2 4.15Å; L1232-F1252 HydrophobicContact CB-CE2 3.9Å; L1232-F1252 HydrophobicContact CB-CZ 3.86Å; Y1234-F1252 HydrophobicContact CD2-CB 4.21Å; Y1234-F1252 HydrophobicContact CD2-CD1 4.07Å; Y1234-F1252 AromaticContact CD2-CD2 3.97Å; Y1234-F1252 HydrophobicContact CD2-CD2 3.97Å; Y1234-F1252 HydrophobicContact CD2-CE1 4.41Å; Y1234-F1252 HydrophobicContact CD2-CE2 4.31Å; Y1234-F1252 AromaticContact CD2-CG 3.83Å; Y1234-F1252 HydrophobicContact CD2-CG 3.83Å; Y1234-F1252 HydrophobicContact CE2-CB 4.37Å; Y1234-F1252 HydrophobicContact CE2-CG 4.47Å; Q1248-F1252 WeakPolarHBondContact O-CB 3.12Å; Q1248-F1252 PolarHBondContact O-N 3.5Å; L1249-F1252 WeakPolarHBondContact O-CB 3.28Å; L1249-F1252 PolarHBondContact O-N 3.38Å; L1249-F1252 VanDerWaalsContact O-N 3.16Å; I1250-F1252 VanDerWaalsContact C-N 3.33Å; I1250-F1252 PolarHBondContact O-N 2.98Å; F1252-Q1255 WeakPolarHBondContact O-CA 3.21Å; F1252-Q1255 WeakPolarHBondContact O-CB 3.43Å; F1252-Q1255 PolarHBondContact O-N 3.14Å; F1252-Q1255 VanDerWaalsContact O-N 3.15Å; F1252-V1256 HydrophobicContact CD1-CG2 4.33Å; F1252-V1256 HydrophobicContact CE1-CG2 4.12Å; F1252-V1256 WeakPolarHBondContact O-CG2 3.46Å; F1252-V1256 PolarHBondContact O-N 2.71Å; F1252-L1281 HydrophobicContact CD1-CD1 4.05Å; F1252-L1281 HydrophobicContact CE1-CD1 3.99Å |
| 1253 | V | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.3 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | L1249 I1250 Q1255 V1256 Q1257 L1281 I1284 E1285 I1288 | L1249-V1253 HydrophobicContact CD1-CG2 4.41Å; L1249-V1253 HydrophobicContact CG-CG2 4.38Å; L1249-V1253 WeakPolarHBondContact O-CG2 3.32Å; L1249-V1253 PolarHBondContact O-N 3.08Å; I1250-V1253 PolarHBondContact O-N 3.32Å; I1250-V1253 VanDerWaalsContact O-N 3.17Å; V1253-Q1255 PolarHBondContact O-N 3.39Å; V1253-V1256 WeakPolarHBondContact O-CB 3.33Å; V1253-V1256 PolarHBondContact O-N 3.41Å; V1253-V1256 VanDerWaalsContact O-N 3.09Å; V1253-Q1257 PolarHBondContact O-N 2.91Å; V1253-L1281 HydrophobicContact CG2-CD1 3.76Å; V1253-I1284 HydrophobicContact CG1-CG2 4.36Å; V1253-I1284 HydrophobicContact CG2-CG2 4.16Å; V1253-E1285 HydrophobicContact CG1-CB 3.82Å; V1253-E1285 HydrophobicContact CG1-CG 4.14Å; V1253-I1288 HydrophobicContact CG1-CD1 3.89Å |
| 1254 | E | 94.6 | Very high | 91.3 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -34.4 | 170.9 | -70 | 168.1 | -175.5 | 0 | 0 | 111.8 | I1250 R1258 R1333 | I1250-E1254 WeakPolarHBondContact CG2-OE1 3.3Å; I1250-E1254 WeakPolarHBondContact O-CG 3.25Å; I1250-E1254 PolarHBondContact O-N 3.08Å; E1254-R1258 WeakPolarHBondContact O-CB 3.37Å; E1254-R1258 PolarHBondContact O-N 3.38Å; E1254-R1333 IonicContact OE1-CZ 2.94Å; E1254-R1333 IonicContact OE1-NH1 2.72Å; E1254-R1333 PolarHBondContact OE1-NH1 2.96Å; E1254-R1333 IonicContact OE1-NH2 2.73Å; E1254-R1333 PolarHBondContact OE1-NH2 3.42Å |
| 1255 | Q | 94.7 | Very high | 92 | Very high | 53 Ų | 53 | 52 Ų | 52 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 173.6 | -159.6 | -180 | 9.7 | 0 | 0 | 112.1 | L1232 S1251 F1252 V1253 R1258 I1259 | L1232-Q1255 HydrophobicContact CD1-CB 4.17Å; L1232-Q1255 HydrophobicContact CD1-CG 3.96Å; L1232-Q1255 VanDerWaalsContact CD2-CD 3.45Å; L1232-Q1255 HydrophobicContact CD2-CG 4.07Å; S1251-Q1255 PolarHBondContact O-N 2.98Å; F1252-Q1255 WeakPolarHBondContact O-CA 3.21Å; F1252-Q1255 WeakPolarHBondContact O-CB 3.43Å; F1252-Q1255 PolarHBondContact O-N 3.14Å; F1252-Q1255 VanDerWaalsContact O-N 3.15Å; V1253-Q1255 PolarHBondContact O-N 3.39Å; Q1255-R1258 PolarHBondContact O-N 3.49Å; Q1255-I1259 HydrophobicContact CG-CD1 4.36Å; Q1255-I1259 WeakPolarHBondContact O-CG1 3.33Å; Q1255-I1259 PolarHBondContact O-N 3.39Å |
| 1256 | V | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.4 | -50.1 | 171.9 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | L1141 V1143 L1232 F1252 V1253 R1258 I1259 R1260 I1267 E1285 | L1141-V1256 HydrophobicContact CD2-CG1 4.02Å; V1143-V1256 HydrophobicContact CG1-CG2 4.26Å; V1143-V1256 HydrophobicContact CG2-CG1 4.19Å; V1143-V1256 HydrophobicContact CG2-CG2 3.85Å; L1232-V1256 HydrophobicContact CD1-CG2 3.78Å; F1252-V1256 HydrophobicContact CD1-CG2 4.33Å; F1252-V1256 HydrophobicContact CE1-CG2 4.12Å; F1252-V1256 WeakPolarHBondContact O-CG2 3.46Å; F1252-V1256 PolarHBondContact O-N 2.71Å; V1253-V1256 WeakPolarHBondContact O-CB 3.33Å; V1253-V1256 PolarHBondContact O-N 3.41Å; V1253-V1256 VanDerWaalsContact O-N 3.09Å; V1256-R1258 VanDerWaalsContact C-N 3.31Å; V1256-R1258 PolarHBondContact O-N 2.83Å; V1256-I1259 PolarHBondContact O-N 2.94Å; V1256-R1260 WeakPolarHBondContact O-CB 3.41Å; V1256-R1260 PolarHBondContact O-N 2.98Å; V1256-I1267 HydrophobicContact CG1-CD1 3.68Å; V1256-E1285 WeakPolarHBondContact CG1-OE2 3.31Å |
| 1257 | Q | 94.6 | Very high | 92.8 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.5 | -45.7 | 174.7 | -73.3 | 176 | -78.5 | 0 | 0 | 111.3 | V1253 I1259 R1260 G1261 E1285 N1289 E1292 | V1253-Q1257 PolarHBondContact O-N 2.91Å; Q1257-I1259 PolarHBondContact O-N 2.73Å; Q1257-R1260 PolarHBondContact O-N 2.82Å; Q1257-G1261 PolarHBondContact O-N 3.47Å; Q1257-E1285 HydrophobicContact CG-CG 3.95Å; Q1257-N1289 PolarHBondContact NE2-ND2 2.81Å; Q1257-E1292 PolarHBondContact NE2-OE1 3.14Å; Q1257-E1292 PolarHBondContact NE2-OE2 2.77Å |
| 1258 | R | 94.9 | Very high | 93.2 | Very high | 162 Ų | 162 | 43.3 Ų | 43.3 | 61% | 0.611 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.5 | -37.6 | -177.6 | -169.3 | -178.5 | -56 | 109.9 | 8 | 113.3 | E1254 Q1255 V1256 | E1254-R1258 WeakPolarHBondContact O-CB 3.37Å; E1254-R1258 PolarHBondContact O-N 3.38Å; Q1255-R1258 PolarHBondContact O-N 3.49Å; V1256-R1258 VanDerWaalsContact C-N 3.31Å; V1256-R1258 PolarHBondContact O-N 2.83Å |
| 1259 | I | 94.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -82.8 | -33.6 | 178.3 | -62 | -179.6 | 0 | 0 | 0 | 111.7 | L1141 Y1201 L1232 Q1255 V1256 Q1257 G1261 | L1141-I1259 HydrophobicContact CB-CG2 4.4Å; L1141-I1259 HydrophobicContact CD1-CG2 4.01Å; L1141-I1259 HydrophobicContact CD2-CB 4.15Å; L1141-I1259 HydrophobicContact CD2-CG2 4.15Å; L1141-I1259 HydrophobicContact CG-CG2 4.42Å; Y1201-I1259 HydrophobicContact CD2-CD1 4.33Å; Y1201-I1259 HydrophobicContact CE2-CD1 3.78Å; L1232-I1259 HydrophobicContact CD1-CD1 3.98Å; L1232-I1259 HydrophobicContact CD2-CD1 4.31Å; L1232-I1259 HydrophobicContact CG-CD1 4.17Å; Q1255-I1259 HydrophobicContact CG-CD1 4.36Å; Q1255-I1259 WeakPolarHBondContact O-CG1 3.33Å; Q1255-I1259 PolarHBondContact O-N 3.39Å; V1256-I1259 PolarHBondContact O-N 2.94Å; Q1257-I1259 PolarHBondContact O-N 2.73Å; I1259-G1261 VanDerWaalsContact C-N 3.32Å |
| 1260 | R | 94.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 169.2 | -177.4 | -163.2 | -65.6 | -90 | 9.8 | 110.9 | R1115 V1256 Q1257 K1262 S1263 I1267 E1285 | R1115-R1260 PolarHBondContact O-NH1 3.47Å; V1256-R1260 WeakPolarHBondContact O-CB 3.41Å; V1256-R1260 PolarHBondContact O-N 2.98Å; Q1257-R1260 PolarHBondContact O-N 2.82Å; R1260-K1262 PolarHBondContact O-N 3.08Å; R1260-S1263 VanDerWaalsContact O-CB 3.25Å; R1260-S1263 WeakPolarHBondContact O-CB 3.43Å; R1260-S1263 PolarHBondContact O-N 3.36Å; R1260-I1267 HydrophobicContact CG-CG2 4.32Å; R1260-E1285 IonicContact CZ-OE1 3.64Å; R1260-E1285 VanDerWaalsContact CZ-OE1 3.26Å; R1260-E1285 IonicContact CZ-OE2 2.7Å; R1260-E1285 IonicContact NE-OE1 3.76Å; R1260-E1285 PolarHBondContact NE-OE1 3.26Å; R1260-E1285 IonicContact NH2-OE1 2.8Å; R1260-E1285 PolarHBondContact NH2-OE1 2.99Å; R1260-E1285 IonicContact NH2-OE2 3.49Å; R1260-E1285 PolarHBondContact NH2-OE2 2.91Å |
| 1261 | G | 90.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 50% | 0.495 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -135.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1257 I1259 S1263 | Q1257-G1261 PolarHBondContact O-N 3.47Å; I1259-G1261 VanDerWaalsContact C-N 3.32Å; G1261-S1263 VanDerWaalsContact C-N 3.3Å |
| 1262 | K | 85 | Confident | 93.8 | Very high | 203 Ų | 203 | 38.6 Ų | 38.6 | 88% | 0.883 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | 7.9 | 175.9 | -63.4 | -175.3 | 177.7 | -177.4 | 0 | 113.7 | R1260 Q1264 | R1260-K1262 PolarHBondContact O-N 3.08Å; K1262-Q1264 PolarHBondContact O-N 2.67Å; K1262-Q1264 PolarHBondContact O-NE2 2.97Å |
| 1263 | S | 82.7 | Confident | 93.7 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | trans | -63.6 | 129.4 | -176.6 | -169.6 | 0 | 0 | 0 | 0 | 111 | R1260 G1261 T1265 | R1260-S1263 VanDerWaalsContact O-CB 3.25Å; R1260-S1263 WeakPolarHBondContact O-CB 3.43Å; R1260-S1263 PolarHBondContact O-N 3.36Å; G1261-S1263 VanDerWaalsContact C-N 3.3Å; S1263-T1265 VanDerWaalsContact C-N 3.3Å; S1263-T1265 PolarHBondContact OG-N 3.15Å; S1263-T1265 PolarHBondContact OG-OG1 3.01Å | ||
| 1264 | Q | 84.1 | Confident | 93.7 | Very high | 119 Ų | 119 | 39.1 Ų | 39.1 | 56% | 0.556 | 20% | 0.196 | S | C | * | . | trans | -80.7 | -12.2 | 173.9 | -60.7 | -58.6 | -66.2 | 0 | 0 | 112.1 | R1115 K1262 | R1115-Q1264 PolarHBondContact NE-O 3.42Å; R1115-Q1264 PolarHBondContact NH2-O 2.85Å; K1262-Q1264 PolarHBondContact O-N 2.67Å; K1262-Q1264 PolarHBondContact O-NE2 2.97Å | ||
| 1265 | T | 92.9 | Very high | 93.7 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -64.3 | 143.3 | -179.3 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | Q1138 C1140 S1263 | Q1138-T1265 HydrophobicContact CB-CG2 3.93Å; Q1138-T1265 VanDerWaalsContact O-CB 3.29Å; Q1138-T1265 WeakPolarHBondContact O-CB 3.2Å; Q1138-T1265 WeakPolarHBondContact O-CG2 3.47Å; C1140-T1265 PolarHBondContact SG-OG1 3.22Å; C1140-T1265 VanDerWaalsContact SG-OG1 3.38Å; S1263-T1265 VanDerWaalsContact C-N 3.3Å; S1263-T1265 PolarHBondContact OG-N 3.15Å; S1263-T1265 PolarHBondContact OG-OG1 3.01Å |
| 1266 | P | 97.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -65 | 138.7 | 174 | 28.6 | -34.2 | 0 | 0 | 0 | 110.3 | R1115 I1117 Q1137 | R1115-P1266 HydrophobicContact CB-CB 4.18Å; I1117-P1266 HydrophobicContact CD1-CB 3.94Å; I1117-P1266 HydrophobicContact CD1-CG 3.8Å; I1117-P1266 HydrophobicContact CG1-CB 3.98Å; I1117-P1266 HydrophobicContact CG1-CG 4.35Å; Q1137-P1266 HydrophobicContact CB-CG 4.18Å |
| 1267 | I | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 147.4 | 166.9 | 74.7 | 167.6 | 0 | 0 | 0 | 109.4 | R1115 Y1116 I1117 L1141 V1143 V1256 R1260 V1269 | R1115-I1267 PolarHBondContact O-N 3.34Å; Y1116-I1267 CarbonylContact C-O 3.58Å; Y1116-I1267 VanDerWaalsContact CA-O 3.31Å; Y1116-I1267 WeakPolarHBondContact CA-O 3.44Å; Y1116-I1267 HydrophobicContact CD1-CD1 4.2Å; Y1116-I1267 HydrophobicContact CD1-CG1 3.89Å; Y1116-I1267 HydrophobicContact CE1-CD1 4.4Å; I1117-I1267 PolarHBondContact N-O 2.8Å; L1141-I1267 HydrophobicContact CB-CB 4.19Å; L1141-I1267 HydrophobicContact CB-CG2 3.87Å; L1141-I1267 HydrophobicContact CD2-CD1 4.17Å; L1141-I1267 HydrophobicContact CD2-CG2 4.31Å; L1141-I1267 HydrophobicContact CG-CB 4.49Å; L1141-I1267 HydrophobicContact CG-CG2 4.43Å; L1141-I1267 WeakPolarHBondContact O-CA 3.4Å; L1141-I1267 WeakPolarHBondContact O-CB 3.47Å; V1143-I1267 HydrophobicContact CG2-CD1 4.03Å; V1256-I1267 HydrophobicContact CG1-CD1 3.68Å; R1260-I1267 HydrophobicContact CG-CG2 4.32Å; I1267-V1269 HydrophobicContact CD1-CG2 4.09Å; I1267-V1269 HydrophobicContact CG1-CG2 4.08Å |
| 1268 | V | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 135.5 | 172.7 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | I1117 A1119 F1130 M1133 V1139 L1141 I1142 V1143 | I1117-V1268 HydrophobicContact CB-CG2 4.05Å; I1117-V1268 HydrophobicContact CD1-CG2 4.43Å; I1117-V1268 HydrophobicContact CG2-CG2 4.21Å; I1117-V1268 CarbonylContact O-C 3.59Å; I1117-V1268 WeakPolarHBondContact O-CA 3.46Å; A1119-V1268 HydrophobicContact CB-CG1 4.35Å; F1130-V1268 HydrophobicContact CE2-CG1 3.82Å; F1130-V1268 HydrophobicContact CZ-CG1 3.86Å; M1133-V1268 HydrophobicContact CE-CG1 4.32Å; M1133-V1268 HydrophobicContact CE-CG2 3.83Å; V1139-V1268 HydrophobicContact CB-CG2 4.4Å; V1139-V1268 HydrophobicContact CG1-CB 4.3Å; V1139-V1268 HydrophobicContact CG1-CG2 3.8Å; V1139-V1268 HydrophobicContact CG2-CG2 3.76Å; L1141-V1268 PolarHBondContact O-N 2.92Å; I1142-V1268 CarbonylContact C-O 3.56Å; I1142-V1268 WeakPolarHBondContact CA-O 3.42Å; I1142-V1268 HydrophobicContact CG1-CB 4.32Å; I1142-V1268 HydrophobicContact CG2-CB 4.25Å; I1142-V1268 HydrophobicContact CG2-CG1 4.19Å; V1143-V1268 PolarHBondContact N-O 3.36Å |
| 1269 | V | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.5 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | Y1116 I1117 A1118 A1119 V1143 L1145 I1267 T1278 L1281 | Y1116-V1269 HydrophobicContact CD1-CG2 3.87Å; I1117-V1269 PolarHBondContact O-N 2.66Å; A1118-V1269 WeakPolarHBondContact CA-O 3.38Å; A1119-V1269 PolarHBondContact N-O 3.24Å; A1119-V1269 VanDerWaalsContact N-O 3.1Å; V1143-V1269 HydrophobicContact CB-CG1 4.3Å; V1143-V1269 HydrophobicContact CB-CG2 4.24Å; V1143-V1269 HydrophobicContact CG2-CG2 4.46Å; V1143-V1269 WeakPolarHBondContact O-CA 3.35Å; L1145-V1269 HydrophobicContact CD1-CG1 3.91Å; I1267-V1269 HydrophobicContact CD1-CG2 4.09Å; I1267-V1269 HydrophobicContact CG1-CG2 4.08Å; V1269-T1278 HydrophobicContact CB-CG2 4.11Å; V1269-T1278 HydrophobicContact CG1-CG2 3.87Å; V1269-L1281 HydrophobicContact CG1-CD2 3.63Å; V1269-L1281 HydrophobicContact CG2-CD2 4.06Å |
| 1270 | H | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.4 | 179.9 | 79.9 | 94.4 | 0 | 0 | 0 | 112.9 | A1119 V1143 M1144 L1145 Y1159 | A1119-H1270 HydrophobicContact CB-CB 4.31Å; A1119-H1270 WeakPolarHBondContact O-CA 3.48Å; A1119-H1270 WeakPolarHBondContact O-CB 3.45Å; V1143-H1270 PolarHBondContact O-N 3.22Å; M1144-H1270 WeakPolarHBondContact CB-NE2 3.42Å; M1144-H1270 WeakPolarHBondContact CG-CE1 3.39Å; M1144-H1270 WeakPolarHBondContact CG-NE2 3.43Å; L1145-H1270 PolarHBondContact N-O 2.97Å; Y1159-H1270 AromaticContact CE1-CE1 3.72Å; Y1159-H1270 AromaticContact CE1-NE2 3.45Å; Y1159-H1270 WeakPolarHBondContact CE1-NE2 3.35Å; Y1159-H1270 AromaticContact CZ-NE2 3.54Å; Y1159-H1270 PolarHBondContact OH-NE2 3.16Å |
| 1271 | C | 95 | Very high | 94.3 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -123.4 | -142.1 | 159.6 | 64.9 | 0 | 0 | 0 | 0 | 107.4 | G1121 L1145 G1274 R1277 T1278 | G1121-C1271 VanDerWaalsContact CA-O 3.22Å; G1121-C1271 WeakPolarHBondContact CA-O 3.4Å; G1121-C1271 PolarHBondContact N-O 2.72Å; L1145-C1271 HydrophobicContact CB-CB 4.27Å; C1271-G1274 PolarHBondContact SG-N 2.84Å; C1271-R1277 HydrophobicContact CB-CB 4.12Å; C1271-R1277 HydrophobicContact CB-CG 4.36Å; C1271-T1278 PolarHBondContact N-OG1 3.43Å |
| 1272 | S | 93.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -66.2 | -59.1 | 168.3 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | R1076 Y1077 G1121 K1155 | R1076-S1272 WeakPolarHBondContact CD-OG 3.49Å; Y1077-S1272 WeakPolarHBondContact CE2-OG 3.27Å; Y1077-S1272 PolarHBondContact OH-OG 2.8Å; G1121-S1272 PolarHBondContact N-O 2.75Å; K1155-S1272 WeakPolarHBondContact O-CA 3.41Å; K1155-S1272 PolarHBondContact O-OG 2.89Å |
| 1273 | A | 93.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 10.5 Ų | 10.5 | 9% | 0.091 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -94.7 | -12.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1077 I1080 I1275 R1310 | Y1077-A1273 HydrophobicContact CD2-CB 3.78Å; Y1077-A1273 HydrophobicContact CE2-CB 3.74Å; I1080-A1273 HydrophobicContact CG1-CB 4.28Å; I1080-A1273 HydrophobicContact CG2-CB 4.31Å; A1273-I1275 HydrophobicContact CB-CG1 3.99Å; A1273-R1310 PolarHBondContact O-NH2 3.4Å |
| 1274 | G | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | S | Bend | trans | 73.1 | 28 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1119 C1271 T1278 R1310 | A1119-G1274 WeakPolarHBondContact O-CA 3.28Å; C1271-G1274 PolarHBondContact SG-N 2.84Å; G1274-T1278 WeakPolarHBondContact CA-OG1 3.33Å; G1274-R1310 PolarHBondContact O-NE 2.85Å |
| 1275 | I | 96.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 1% | 0.005 | 2% | 0.018 | C | C | . | . | S | Bend | trans | -136.9 | -44.1 | -176.5 | 56.4 | 161.1 | 0 | 0 | 0 | 115.8 | I1080 A1273 G1279 R1310 A1311 M1312 L1313 I1314 Q1315 | I1080-I1275 HydrophobicContact CD1-CD1 3.68Å; I1080-I1275 HydrophobicContact CG1-CD1 4.33Å; I1080-I1275 HydrophobicContact CG2-CD1 3.96Å; I1080-I1275 HydrophobicContact CG2-CG1 4.18Å; I1080-I1275 HydrophobicContact CG2-CG2 4Å; A1273-I1275 HydrophobicContact CB-CG1 3.99Å; I1275-G1279 PolarHBondContact O-N 2.94Å; I1275-R1310 HydrophobicContact CG2-CG 4.27Å; I1275-A1311 VanDerWaalsContact CG2-O 3.28Å; I1275-A1311 WeakPolarHBondContact CG2-O 3.2Å; I1275-M1312 HydrophobicContact CD1-CB 3.77Å; I1275-M1312 HydrophobicContact CD1-CE 4.43Å; I1275-L1313 WeakPolarHBondContact O-CA 3.29Å; I1275-I1314 PolarHBondContact O-N 2.89Å; I1275-Q1315 HydrophobicContact CD1-CG 3.8Å; I1275-Q1315 HydrophobicContact CG1-CG 4.08Å |
| 1276 | G | 94.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 1.4 Ų | 1.4 | 1% | 0.01 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -69.5 | -86.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1278 G1279 V1280 | G1276-T1278 PolarHBondContact O-N 2.85Å; G1276-G1279 PolarHBondContact O-N 2.88Å; G1276-V1280 PolarHBondContact O-N 2.9Å |
| 1277 | R | 95.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -53 | -39.7 | 176.8 | -46.8 | 177.5 | -157.5 | 169.4 | 11.2 | 112.5 | L1145 T1146 E1150 W1237 P1238 D1239 C1271 G1279 V1280 L1281 | L1145-R1277 HydrophobicContact CB-CB 3.98Å; L1145-R1277 HydrophobicContact CD1-CB 4.06Å; L1145-R1277 WeakPolarHBondContact CD1-O 3.43Å; L1145-R1277 WeakPolarHBondContact O-CD 3.17Å; L1145-R1277 PolarHBondContact O-NH1 2.98Å; T1146-R1277 VanDerWaalsContact CA-NH1 3.34Å; T1146-R1277 PolarHBondContact OG1-NH1 3.45Å; E1150-R1277 IonicContact OE1-CZ 3.93Å; E1150-R1277 IonicContact OE1-NH1 3.18Å; E1150-R1277 PolarHBondContact OE1-NH1 3.39Å; E1150-R1277 IonicContact OE1-NH2 2.75Å; E1150-R1277 PolarHBondContact OE1-NH2 2.9Å; E1150-R1277 IonicContact OE2-CZ 3.24Å; E1150-R1277 IonicContact OE2-NH1 3.55Å; E1150-R1277 IonicContact OE2-NH2 3.74Å; E1150-R1277 PolarHBondContact OE2-NH2 2.88Å; W1237-R1277 HydrophobicContact CD2-CB 4.02Å; W1237-R1277 HydrophobicContact CD2-CG 4.05Å; W1237-R1277 HydrophobicContact CE3-CB 4.35Å; W1237-R1277 HydrophobicContact CG-CG 4.18Å; W1237-R1277 HydrophobicContact CH2-CB 4.08Å; W1237-R1277 HydrophobicContact CZ2-CB 3.72Å; W1237-R1277 HydrophobicContact CZ2-CG 4.15Å; W1237-R1277 HydrophobicContact CZ3-CB 4.39Å; W1237-R1277 VanDerWaalsContact O-CZ 3.26Å; W1237-R1277 PolarHBondContact O-NH1 3.47Å; P1238-R1277 PolarHBondContact O-NE 3.28Å; D1239-R1277 IonicContact OD1-CZ 3.18Å; D1239-R1277 IonicContact OD1-NE 2.73Å; D1239-R1277 IonicContact OD1-NH2 2.72Å; D1239-R1277 PolarHBondContact OD1-NH2 3.2Å; D1239-R1277 IonicContact OD2-NH2 2.83Å; C1271-R1277 HydrophobicContact CB-CB 4.12Å; C1271-R1277 HydrophobicContact CB-CG 4.36Å; R1277-G1279 VanDerWaalsContact C-N 3.35Å; R1277-G1279 PolarHBondContact O-N 3.22Å; R1277-V1280 WeakPolarHBondContact O-CB 3.49Å; R1277-V1280 PolarHBondContact O-N 3.45Å; R1277-V1280 VanDerWaalsContact O-N 3.17Å; R1277-L1281 PolarHBondContact O-N 3.4Å |
| 1278 | T | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -54 | -45.7 | 173.4 | -59 | 0 | 0 | 0 | 0 | 112.6 | A1118 V1269 C1271 G1274 G1276 I1282 L1313 | A1118-T1278 HydrophobicContact CB-CG2 3.79Å; V1269-T1278 HydrophobicContact CB-CG2 4.11Å; V1269-T1278 HydrophobicContact CG1-CG2 3.87Å; C1271-T1278 PolarHBondContact N-OG1 3.43Å; G1274-T1278 WeakPolarHBondContact CA-OG1 3.33Å; G1276-T1278 PolarHBondContact O-N 2.85Å; T1278-I1282 HydrophobicContact CG2-CD1 3.91Å; T1278-I1282 WeakPolarHBondContact O-CD1 3.5Å; T1278-I1282 VanDerWaalsContact O-CG1 3.24Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.36Å; T1278-I1282 PolarHBondContact O-N 2.9Å; T1278-L1313 HydrophobicContact CG2-CD2 4.02Å |
| 1279 | G | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -69.7 | -34.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1275 G1276 R1277 A1283 I1314 | I1275-G1279 PolarHBondContact O-N 2.94Å; G1276-G1279 PolarHBondContact O-N 2.88Å; R1277-G1279 VanDerWaalsContact C-N 3.35Å; R1277-G1279 PolarHBondContact O-N 3.22Å; G1279-A1283 VanDerWaalsContact O-CB 3.31Å; G1279-A1283 WeakPolarHBondContact O-CB 3.47Å; G1279-A1283 PolarHBondContact O-N 3.39Å; G1279-I1314 VanDerWaalsContact C-CG1 3.42Å |
| 1280 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | W1237 G1276 R1277 A1283 I1284 I1314 Q1319 F1322 V1323 | W1237-V1280 HydrophobicContact CH2-CB 3.89Å; W1237-V1280 HydrophobicContact CH2-CG1 3.7Å; W1237-V1280 HydrophobicContact CZ2-CB 3.82Å; W1237-V1280 HydrophobicContact CZ2-CG1 3.68Å; W1237-V1280 HydrophobicContact CZ2-CG2 4.39Å; G1276-V1280 PolarHBondContact O-N 2.9Å; R1277-V1280 WeakPolarHBondContact O-CB 3.49Å; R1277-V1280 PolarHBondContact O-N 3.45Å; R1277-V1280 VanDerWaalsContact O-N 3.17Å; V1280-A1283 PolarHBondContact O-N 3.13Å; V1280-I1284 HydrophobicContact CG1-CD1 3.7Å; V1280-I1284 WeakPolarHBondContact O-CG1 3.2Å; V1280-I1284 PolarHBondContact O-N 2.92Å; V1280-I1284 VanDerWaalsContact O-N 3.07Å; V1280-I1314 HydrophobicContact CG2-CD1 4.4Å; V1280-I1314 HydrophobicContact CG2-CG1 4.25Å; V1280-Q1319 HydrophobicContact CG2-CB 3.78Å; V1280-Q1319 HydrophobicContact CG2-CG 4.03Å; V1280-F1322 HydrophobicContact CG1-CD1 4.19Å; V1280-F1322 HydrophobicContact CG1-CE1 4.32Å; V1280-V1323 HydrophobicContact CB-CG2 4.12Å; V1280-V1323 HydrophobicContact CG1-CG2 3.76Å; V1280-V1323 HydrophobicContact CG2-CG2 4.13Å |
| 1281 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.4 | -50.4 | 177 | -171.4 | 94.2 | 0 | 0 | 0 | 111.8 | V1143 L1145 F1252 V1253 V1269 R1277 A1283 I1284 E1285 | V1143-L1281 HydrophobicContact CB-CD2 4.25Å; V1143-L1281 HydrophobicContact CG1-CD2 3.76Å; L1145-L1281 HydrophobicContact CD1-CB 3.82Å; L1145-L1281 HydrophobicContact CD1-CD2 4.34Å; L1145-L1281 HydrophobicContact CD1-CG 4.47Å; L1145-L1281 HydrophobicContact CD2-CD1 4.26Å; F1252-L1281 HydrophobicContact CD1-CD1 4.05Å; F1252-L1281 HydrophobicContact CE1-CD1 3.99Å; V1253-L1281 HydrophobicContact CG2-CD1 3.76Å; V1269-L1281 HydrophobicContact CG1-CD2 3.63Å; V1269-L1281 HydrophobicContact CG2-CD2 4.06Å; R1277-L1281 PolarHBondContact O-N 3.4Å; L1281-A1283 VanDerWaalsContact C-N 3.3Å; L1281-A1283 PolarHBondContact O-N 3.42Å; L1281-I1284 PolarHBondContact O-N 3.43Å; L1281-E1285 PolarHBondContact O-N 2.85Å |
| 1282 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | -178.1 | -66.2 | 169.4 | 0 | 0 | 0 | 110.9 | V1103 M1105 Y1116 A1118 T1278 T1286 M1306 | V1103-I1282 HydrophobicContact CG1-CG2 4.43Å; M1105-I1282 HydrophobicContact CG-CG2 4.02Å; Y1116-I1282 HydrophobicContact CD1-CD1 4.27Å; Y1116-I1282 HydrophobicContact CD1-CG1 3.75Å; Y1116-I1282 HydrophobicContact CD2-CG2 4.11Å; Y1116-I1282 HydrophobicContact CE1-CB 4.31Å; Y1116-I1282 HydrophobicContact CE1-CG1 3.75Å; Y1116-I1282 HydrophobicContact CE1-CG2 4.28Å; Y1116-I1282 HydrophobicContact CE2-CG2 3.75Å; Y1116-I1282 HydrophobicContact CG-CD1 4.24Å; Y1116-I1282 HydrophobicContact CG-CG1 4.12Å; A1118-I1282 HydrophobicContact CB-CD1 4.48Å; T1278-I1282 HydrophobicContact CG2-CD1 3.91Å; T1278-I1282 WeakPolarHBondContact O-CD1 3.5Å; T1278-I1282 VanDerWaalsContact O-CG1 3.24Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.36Å; T1278-I1282 PolarHBondContact O-N 2.9Å; I1282-T1286 WeakPolarHBondContact O-CB 3.45Å; I1282-T1286 PolarHBondContact O-N 3.47Å; I1282-T1286 VanDerWaalsContact O-N 3.08Å; I1282-T1286 PolarHBondContact O-OG1 3Å; I1282-M1306 HydrophobicContact CB-SD 3.74Å; I1282-M1306 HydrophobicContact CG2-CG 4Å; I1282-M1306 HydrophobicContact CG2-SD 3.47Å; I1282-M1306 WeakPolarHBondContact CG2-SD 3.33Å |
| 1283 | A | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1279 V1280 L1281 S1287 M1306 I1314 V1323 | G1279-A1283 VanDerWaalsContact O-CB 3.31Å; G1279-A1283 WeakPolarHBondContact O-CB 3.47Å; G1279-A1283 PolarHBondContact O-N 3.39Å; V1280-A1283 PolarHBondContact O-N 3.13Å; L1281-A1283 VanDerWaalsContact C-N 3.3Å; L1281-A1283 PolarHBondContact O-N 3.42Å; A1283-S1287 WeakPolarHBondContact O-CB 3.32Å; A1283-S1287 PolarHBondContact O-N 3Å; A1283-S1287 PolarHBondContact O-OG 2.94Å; A1283-M1306 HydrophobicContact CB-CE 3.85Å; A1283-M1306 HydrophobicContact CB-SD 4.44Å; A1283-I1314 HydrophobicContact CB-CD1 4.06Å; A1283-V1323 HydrophobicContact CB-CG1 3.81Å; A1283-V1323 HydrophobicContact CB-CG2 4.22Å |
| 1284 | I | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70 | -50.2 | -179.1 | -65.9 | 163.5 | 0 | 0 | 0 | 110.5 | L1249 V1253 V1280 L1281 T1286 S1287 I1288 F1322 V1323 T1326 | L1249-I1284 HydrophobicContact CD2-CD1 3.67Å; V1253-I1284 HydrophobicContact CG1-CG2 4.36Å; V1253-I1284 HydrophobicContact CG2-CG2 4.16Å; V1280-I1284 HydrophobicContact CG1-CD1 3.7Å; V1280-I1284 WeakPolarHBondContact O-CG1 3.2Å; V1280-I1284 PolarHBondContact O-N 2.92Å; V1280-I1284 VanDerWaalsContact O-N 3.07Å; L1281-I1284 PolarHBondContact O-N 3.43Å; I1284-T1286 VanDerWaalsContact C-N 3.3Å; I1284-T1286 PolarHBondContact O-N 2.67Å; I1284-S1287 WeakPolarHBondContact O-CB 3.32Å; I1284-S1287 PolarHBondContact O-N 3.35Å; I1284-I1288 HydrophobicContact CG2-CD1 3.96Å; I1284-I1288 HydrophobicContact CG2-CG1 4.4Å; I1284-I1288 WeakPolarHBondContact O-CG1 3.27Å; I1284-I1288 PolarHBondContact O-N 3.43Å; I1284-F1322 HydrophobicContact CD1-CE1 4.28Å; I1284-V1323 HydrophobicContact CD1-CG2 4.21Å; I1284-V1323 HydrophobicContact CG1-CG1 4.37Å; I1284-V1323 HydrophobicContact CG1-CG2 4.13Å; I1284-T1326 HydrophobicContact CD1-CG2 3.96Å; I1284-T1326 HydrophobicContact CG1-CG2 4.25Å; I1284-T1326 HydrophobicContact CG2-CG2 4.02Å |
| 1285 | E | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 178.2 | -170.8 | -175 | 174.6 | 0 | 0 | 111.3 | L1114 Y1116 V1253 V1256 Q1257 R1260 L1281 S1287 I1288 N1289 | L1114-E1285 HydrophobicContact CD1-CG 4.45Å; Y1116-E1285 VanDerWaalsContact CE1-OE2 3.27Å; Y1116-E1285 WeakPolarHBondContact CE1-OE2 3.44Å; Y1116-E1285 PolarHBondContact OH-OE2 3.24Å; V1253-E1285 HydrophobicContact CG1-CB 3.82Å; V1253-E1285 HydrophobicContact CG1-CG 4.14Å; V1256-E1285 WeakPolarHBondContact CG1-OE2 3.31Å; Q1257-E1285 HydrophobicContact CG-CG 3.95Å; R1260-E1285 IonicContact CZ-OE1 3.64Å; R1260-E1285 VanDerWaalsContact CZ-OE1 3.26Å; R1260-E1285 IonicContact CZ-OE2 2.7Å; R1260-E1285 IonicContact NE-OE1 3.76Å; R1260-E1285 PolarHBondContact NE-OE1 3.26Å; R1260-E1285 IonicContact NH2-OE1 2.8Å; R1260-E1285 PolarHBondContact NH2-OE1 2.99Å; R1260-E1285 IonicContact NH2-OE2 3.49Å; R1260-E1285 PolarHBondContact NH2-OE2 2.91Å; L1281-E1285 PolarHBondContact O-N 2.85Å; E1285-S1287 PolarHBondContact O-N 2.91Å; E1285-I1288 PolarHBondContact O-N 3.18Å; E1285-N1289 PolarHBondContact O-N 2.88Å; E1285-N1289 VanDerWaalsContact O-N 3.13Å; E1285-N1289 PolarHBondContact O-ND2 3.27Å |
| 1286 | T | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.7 | -55 | 0 | 0 | 0 | 0 | 111.6 | M1105 F1107 Y1116 I1282 I1284 I1288 N1289 L1290 L1302 | M1105-T1286 HydrophobicContact CB-CG2 3.98Å; M1105-T1286 HydrophobicContact CE-CG2 3.99Å; M1105-T1286 HydrophobicContact CG-CG2 4.44Å; F1107-T1286 HydrophobicContact CD2-CG2 4.48Å; F1107-T1286 HydrophobicContact CE2-CG2 3.64Å; F1107-T1286 HydrophobicContact CZ-CG2 4.18Å; Y1116-T1286 PolarHBondContact OH-OG1 3.46Å; I1282-T1286 WeakPolarHBondContact O-CB 3.45Å; I1282-T1286 PolarHBondContact O-N 3.47Å; I1282-T1286 VanDerWaalsContact O-N 3.08Å; I1282-T1286 PolarHBondContact O-OG1 3Å; I1284-T1286 VanDerWaalsContact C-N 3.3Å; I1284-T1286 PolarHBondContact O-N 2.67Å; T1286-I1288 PolarHBondContact O-N 3.28Å; T1286-N1289 PolarHBondContact O-N 3.04Å; T1286-L1290 HydrophobicContact CG2-CD1 4.24Å; T1286-L1290 VanDerWaalsContact O-CG 3.3Å; T1286-L1290 WeakPolarHBondContact O-CG 3.49Å; T1286-L1290 PolarHBondContact O-N 2.7Å; T1286-L1302 HydrophobicContact CG2-CD2 4.23Å |
| 1287 | S | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 178.8 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | A1283 I1284 E1285 L1290 M1291 L1302 I1327 | A1283-S1287 WeakPolarHBondContact O-CB 3.32Å; A1283-S1287 PolarHBondContact O-N 3Å; A1283-S1287 PolarHBondContact O-OG 2.94Å; I1284-S1287 WeakPolarHBondContact O-CB 3.32Å; I1284-S1287 PolarHBondContact O-N 3.35Å; E1285-S1287 PolarHBondContact O-N 2.91Å; S1287-L1290 PolarHBondContact O-N 3.49Å; S1287-M1291 WeakPolarHBondContact O-CG 3.1Å; S1287-M1291 PolarHBondContact O-N 3.15Å; S1287-L1302 WeakPolarHBondContact OG-CD1 3.34Å; S1287-I1327 WeakPolarHBondContact OG-CD1 3.38Å |
| 1288 | I | 95.8 | Very high | 96 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.6 | -48 | 177.8 | -63.3 | 176.9 | 0 | 0 | 0 | 110.4 | V1253 I1284 E1285 T1286 L1290 M1291 E1292 V1330 | V1253-I1288 HydrophobicContact CG1-CD1 3.89Å; I1284-I1288 HydrophobicContact CG2-CD1 3.96Å; I1284-I1288 HydrophobicContact CG2-CG1 4.4Å; I1284-I1288 WeakPolarHBondContact O-CG1 3.27Å; I1284-I1288 PolarHBondContact O-N 3.43Å; E1285-I1288 PolarHBondContact O-N 3.18Å; T1286-I1288 PolarHBondContact O-N 3.28Å; I1288-L1290 VanDerWaalsContact C-N 3.26Å; I1288-L1290 PolarHBondContact O-N 3.35Å; I1288-M1291 HydrophobicContact CG1-CE 4.14Å; I1288-M1291 PolarHBondContact O-N 3.12Å; I1288-M1291 VanDerWaalsContact O-N 3.11Å; I1288-E1292 HydrophobicContact CG2-CG 4.44Å; I1288-E1292 WeakPolarHBondContact CG2-OE1 3.16Å; I1288-E1292 WeakPolarHBondContact O-CG 3.2Å; I1288-E1292 PolarHBondContact O-N 3.18Å; I1288-V1330 HydrophobicContact CD1-CG1 4.48Å; I1288-V1330 HydrophobicContact CD1-CG2 4.29Å; I1288-V1330 HydrophobicContact CG1-CG1 4.18Å |
| 1289 | N | 94.7 | Very high | 96 | Very high | 29 Ų | 29 | 22.1 Ų | 22.1 | 16% | 0.155 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59 | -36.2 | 175.6 | -78.1 | -107.8 | 0 | 0 | 0 | 112.4 | V1112 L1114 Q1257 E1285 T1286 C1293 | V1112-N1289 HydrophobicContact CG1-CB 3.86Å; V1112-N1289 HydrophobicContact CG2-CB 4.24Å; L1114-N1289 HydrophobicContact CD1-CB 4.07Å; Q1257-N1289 PolarHBondContact NE2-ND2 2.81Å; E1285-N1289 PolarHBondContact O-N 2.88Å; E1285-N1289 VanDerWaalsContact O-N 3.13Å; E1285-N1289 PolarHBondContact O-ND2 3.27Å; T1286-N1289 PolarHBondContact O-N 3.04Å; N1289-C1293 PolarHBondContact O-N 3.23Å |
| 1290 | L | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.3 | -41.2 | 175.1 | -69 | 176.8 | 0 | 0 | 0 | 112.2 | F1107 C1110 V1112 T1286 S1287 I1288 C1293 N1294 Y1295 V1297 L1302 | F1107-L1290 HydrophobicContact CB-CD2 4Å; F1107-L1290 HydrophobicContact CD1-CD1 4.27Å; F1107-L1290 HydrophobicContact CD1-CD2 3.93Å; F1107-L1290 HydrophobicContact CD2-CD2 3.99Å; F1107-L1290 HydrophobicContact CE1-CD1 3.96Å; F1107-L1290 HydrophobicContact CE1-CD2 4.44Å; F1107-L1290 HydrophobicContact CE2-CD1 4.3Å; F1107-L1290 HydrophobicContact CG-CD2 3.7Å; F1107-L1290 HydrophobicContact CZ-CD1 4Å; C1110-L1290 VanDerWaalsContact SG-CD2 3.56Å; V1112-L1290 HydrophobicContact CB-CD2 4.2Å; V1112-L1290 HydrophobicContact CG1-CD2 4.42Å; V1112-L1290 HydrophobicContact CG2-CD2 4.18Å; T1286-L1290 HydrophobicContact CG2-CD1 4.24Å; T1286-L1290 VanDerWaalsContact O-CG 3.3Å; T1286-L1290 WeakPolarHBondContact O-CG 3.49Å; T1286-L1290 PolarHBondContact O-N 2.7Å; S1287-L1290 PolarHBondContact O-N 3.49Å; I1288-L1290 VanDerWaalsContact C-N 3.26Å; I1288-L1290 PolarHBondContact O-N 3.35Å; L1290-C1293 CarbonylContact O-C 3.51Å; L1290-C1293 PolarHBondContact O-N 2.82Å; L1290-N1294 PolarHBondContact O-N 3.17Å; L1290-Y1295 HydrophobicContact CD2-CD1 3.79Å; L1290-Y1295 HydrophobicContact CD2-CG 4.26Å; L1290-Y1295 WeakPolarHBondContact O-CB 3.1Å; L1290-Y1295 PolarHBondContact O-N 2.88Å; L1290-V1297 HydrophobicContact CB-CG2 3.77Å; L1290-V1297 HydrophobicContact CD1-CG2 4.42Å; L1290-L1302 HydrophobicContact CD1-CD2 4.01Å |
| 1291 | M | 94.5 | Very high | 95.8 | Very high | 16 Ų | 16 | 27.5 Ų | 27.5 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 175 | -71.4 | -174 | -72.5 | 0 | 0 | 112.4 | L1031 M1035 S1287 I1288 C1293 N1294 V1297 I1327 V1330 F1331 | L1031-M1291 HydrophobicContact CD1-CG 3.9Å; L1031-M1291 HydrophobicContact CD2-CB 4.28Å; L1031-M1291 HydrophobicContact CD2-CG 4.24Å; M1035-M1291 HydrophobicContact SD-SD 4.49Å; S1287-M1291 WeakPolarHBondContact O-CG 3.1Å; S1287-M1291 PolarHBondContact O-N 3.15Å; I1288-M1291 HydrophobicContact CG1-CE 4.14Å; I1288-M1291 PolarHBondContact O-N 3.12Å; I1288-M1291 VanDerWaalsContact O-N 3.11Å; M1291-C1293 PolarHBondContact O-N 2.89Å; M1291-N1294 WeakPolarHBondContact O-CA 3.27Å; M1291-N1294 PolarHBondContact O-N 3.2Å; M1291-V1297 HydrophobicContact CG-CG2 3.81Å; M1291-I1327 HydrophobicContact CE-CG2 4.33Å; M1291-I1327 HydrophobicContact SD-CG2 4.31Å; M1291-V1330 HydrophobicContact CE-CB 4.01Å; M1291-V1330 HydrophobicContact CE-CG1 3.79Å; M1291-F1331 HydrophobicContact SD-CB 3.86Å; M1291-F1331 HydrophobicContact SD-CD2 4.36Å |
| 1292 | E | 92.1 | Very high | 95.8 | Very high | 117 Ų | 117 | 27.6 Ų | 27.6 | 55% | 0.547 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -58.7 | -35.6 | 173.5 | -72.9 | 166.3 | -177.6 | 0 | 0 | 112 | Q1257 I1288 N1294 | Q1257-E1292 PolarHBondContact NE2-OE1 3.14Å; Q1257-E1292 PolarHBondContact NE2-OE2 2.77Å; I1288-E1292 HydrophobicContact CG2-CG 4.44Å; I1288-E1292 WeakPolarHBondContact CG2-OE1 3.16Å; I1288-E1292 WeakPolarHBondContact O-CG 3.2Å; I1288-E1292 PolarHBondContact O-N 3.18Å; E1292-N1294 VanDerWaalsContact C-N 3.3Å; E1292-N1294 PolarHBondContact O-N 3.31Å |
| 1293 | C | 92.1 | Very high | 95.8 | Very high | 61 Ų | 61 | 27.7 Ų | 27.7 | 41% | 0.412 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 12.4 | 173.2 | -62.4 | 0 | 0 | 0 | 0 | 114.4 | C1110 V1112 N1289 L1290 M1291 Y1295 | C1110-C1293 HydrophobicContact CB-CB 3.87Å; V1112-C1293 HydrophobicContact CG2-CB 4.46Å; N1289-C1293 PolarHBondContact O-N 3.23Å; L1290-C1293 CarbonylContact O-C 3.51Å; L1290-C1293 PolarHBondContact O-N 2.82Å; M1291-C1293 PolarHBondContact O-N 2.89Å; C1293-Y1295 PolarHBondContact O-N 2.92Å; C1293-Y1295 VanDerWaalsContact O-N 3.13Å |
| 1294 | N | 92.2 | Very high | 95.7 | Very high | 117 Ų | 117 | 31.1 Ų | 31.1 | 63% | 0.626 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 29.8 | -174.3 | -164.3 | 27.3 | 0 | 0 | 0 | 113.9 | L1031 L1290 M1291 E1292 | L1031-N1294 WeakPolarHBondContact CB-OD1 3.46Å; L1290-N1294 PolarHBondContact O-N 3.17Å; M1291-N1294 WeakPolarHBondContact O-CA 3.27Å; M1291-N1294 PolarHBondContact O-N 3.2Å; E1292-N1294 VanDerWaalsContact C-N 3.3Å; E1292-N1294 PolarHBondContact O-N 3.31Å |
| 1295 | Y | 94.1 | Very high | 95.6 | Very high | 38 Ų | 38 | 35 Ų | 35 | 15% | 0.149 | 17% | 0.172 | C | C | . | . | trans | -95.9 | 140.3 | -174.5 | -167 | -91.6 | 0 | 0 | 0 | 111.3 | F1026 F1107 K1109 C1110 L1290 C1293 V1297 | F1026-Y1295 WeakPolarHBondContact CE2-OH 3.29Å; F1026-Y1295 HydrophobicContact CZ-CE2 4.39Å; F1107-Y1295 HydrophobicContact CD1-CE1 4.21Å; K1109-Y1295 HydrophobicContact CB-CE2 3.69Å; K1109-Y1295 HydrophobicContact CD-CE2 4.25Å; C1110-Y1295 HydrophobicContact CB-CD2 3.69Å; C1110-Y1295 HydrophobicContact CB-CE2 4.42Å; C1110-Y1295 HydrophobicContact CB-CG 3.98Å; L1290-Y1295 HydrophobicContact CD2-CD1 3.79Å; L1290-Y1295 HydrophobicContact CD2-CG 4.26Å; L1290-Y1295 WeakPolarHBondContact O-CB 3.1Å; L1290-Y1295 PolarHBondContact O-N 2.88Å; C1293-Y1295 PolarHBondContact O-N 2.92Å; C1293-Y1295 VanDerWaalsContact O-N 3.13Å; Y1295-V1297 PolarHBondContact O-N 3.29Å | ||
| 1296 | P | 94.9 | Very high | 95.7 | Very high | 18 Ų | 18 | 35 Ų | 35 | 12% | 0.117 | 17% | 0.172 | C | C | . | . | trans | -56.5 | 131.2 | -179.2 | -27.3 | 36 | 0 | 0 | 0 | 113.8 | S1029 S1034 | S1029-P1296 WeakPolarHBondContact O-CG 3.42Å; S1034-P1296 WeakPolarHBondContact OG-CA 3.43Å | ||
| 1297 | V | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -105.9 | 117.7 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | L1031 S1034 M1035 L1290 M1291 Y1295 L1302 I1327 | L1031-V1297 HydrophobicContact CD1-CG2 4.31Å; S1034-V1297 PolarHBondContact OG-N 3.44Å; S1034-V1297 VanDerWaalsContact OG-N 3.15Å; M1035-V1297 HydrophobicContact CE-CB 3.79Å; M1035-V1297 HydrophobicContact CE-CG1 4.46Å; L1290-V1297 HydrophobicContact CB-CG2 3.77Å; L1290-V1297 HydrophobicContact CD1-CG2 4.42Å; M1291-V1297 HydrophobicContact CG-CG2 3.81Å; Y1295-V1297 PolarHBondContact O-N 3.29Å; V1297-L1302 HydrophobicContact CG1-CD1 4.18Å; V1297-I1327 HydrophobicContact CG1-CD1 4.11Å; V1297-I1327 HydrophobicContact CG1-CG2 4Å | ||
| 1298 | K | 96.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | trans | -123.1 | 94 | -179.9 | -62.5 | -164.6 | 179.9 | -131 | 0 | 110.2 | E1037 L1300 E1301 L1302 | E1037-K1298 IonicContact OE1-NZ 2.76Å; E1037-K1298 IonicContact OE2-NZ 3.29Å; E1037-K1298 PolarHBondContact OE2-NZ 3.45Å; K1298-L1300 VanDerWaalsContact C-N 3.31Å; K1298-L1300 PolarHBondContact O-N 3.23Å; K1298-L1300 VanDerWaalsContact O-N 3.16Å; K1298-E1301 HydrophobicContact CB-CB 4.4Å; K1298-E1301 HydrophobicContact CB-CG 4.02Å; K1298-E1301 PolarHBondContact O-N 3.09Å; K1298-L1302 PolarHBondContact O-N 3.48Å | ||
| 1299 | P | 96.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.6 | -37.7 | -168.4 | -31.4 | 38.2 | 0 | 0 | 0 | 114.9 | L1038 E1301 L1302 V1303 F1320 I1327 | L1038-P1299 HydrophobicContact CD1-CG 3.79Å; L1038-P1299 HydrophobicContact CD2-CG 4.17Å; P1299-E1301 VanDerWaalsContact C-N 3.35Å; P1299-E1301 PolarHBondContact O-N 3.31Å; P1299-L1302 WeakPolarHBondContact O-CB 3.49Å; P1299-L1302 PolarHBondContact O-N 3.32Å; P1299-L1302 VanDerWaalsContact O-N 3.13Å; P1299-V1303 WeakPolarHBondContact O-CG2 3.48Å; P1299-V1303 PolarHBondContact O-N 3.4Å; P1299-F1320 HydrophobicContact CB-CE2 3.79Å; P1299-F1320 HydrophobicContact CB-CZ 4.03Å; P1299-I1327 HydrophobicContact CB-CD1 4.48Å; P1299-I1327 HydrophobicContact CG-CD1 3.81Å |
| 1300 | L | 96.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 15% | 0.152 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.7 | -70.9 | 171.1 | 0 | 0 | 0 | 112.7 | L1047 Q1050 F1051 K1298 L1302 V1303 Q1304 F1320 | L1047-L1300 HydrophobicContact CD1-CD1 3.67Å; L1047-L1300 HydrophobicContact CD1-CG 3.97Å; L1047-L1300 HydrophobicContact CG-CD1 4.35Å; L1047-L1300 HydrophobicContact CG-CG 4.41Å; Q1050-L1300 HydrophobicContact CB-CD1 3.56Å; Q1050-L1300 HydrophobicContact CB-CD2 4.2Å; Q1050-L1300 HydrophobicContact CG-CD1 4.32Å; F1051-L1300 HydrophobicContact CB-CD2 3.77Å; K1298-L1300 VanDerWaalsContact C-N 3.31Å; K1298-L1300 PolarHBondContact O-N 3.23Å; K1298-L1300 VanDerWaalsContact O-N 3.16Å; L1300-L1302 VanDerWaalsContact C-N 3.33Å; L1300-V1303 PolarHBondContact O-N 3.13Å; L1300-Q1304 PolarHBondContact O-N 3.09Å; L1300-F1320 HydrophobicContact CD2-CE1 4.19Å; L1300-F1320 HydrophobicContact CD2-CE2 4.24Å; L1300-F1320 HydrophobicContact CD2-CZ 3.64Å; L1300-F1320 HydrophobicContact CG-CZ 3.96Å |
| 1301 | E | 96 | Very high | 95.7 | Very high | 83 Ų | 83 | 39.4 Ų | 39.4 | 39% | 0.388 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69 | -32.7 | 175.5 | -58.7 | -172.1 | -161.3 | 0 | 0 | 112.1 | K1298 P1299 Q1304 R1305 | K1298-E1301 HydrophobicContact CB-CB 4.4Å; K1298-E1301 HydrophobicContact CB-CG 4.02Å; K1298-E1301 PolarHBondContact O-N 3.09Å; P1299-E1301 VanDerWaalsContact C-N 3.35Å; P1299-E1301 PolarHBondContact O-N 3.31Å; E1301-Q1304 PolarHBondContact O-N 2.62Å; E1301-R1305 WeakPolarHBondContact O-CB 3.29Å; E1301-R1305 WeakPolarHBondContact O-CG 3.36Å; E1301-R1305 PolarHBondContact O-N 3.29Å; E1301-R1305 IonicContact OE2-CZ 2.73Å; E1301-R1305 VanDerWaalsContact OE2-CZ 3.29Å; E1301-R1305 IonicContact OE2-NH1 2.7Å; E1301-R1305 PolarHBondContact OE2-NH1 2.79Å; E1301-R1305 IonicContact OE2-NH2 2.76Å; E1301-R1305 PolarHBondContact OE2-NH2 3.28Å |
| 1302 | L | 97.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -46.5 | 174.7 | -57.6 | -173.3 | 0 | 0 | 0 | 110.5 | M1105 F1107 T1286 S1287 L1290 V1297 K1298 P1299 L1300 Q1304 R1305 M1306 | M1105-L1302 HydrophobicContact CE-CB 4.39Å; M1105-L1302 HydrophobicContact CE-CD2 4.23Å; F1107-L1302 HydrophobicContact CE1-CD2 4.08Å; F1107-L1302 HydrophobicContact CE2-CD2 4.42Å; F1107-L1302 HydrophobicContact CZ-CD2 3.48Å; F1107-L1302 VanDerWaalsContact CZ-CD2 3.48Å; T1286-L1302 HydrophobicContact CG2-CD2 4.23Å; S1287-L1302 WeakPolarHBondContact OG-CD1 3.34Å; L1290-L1302 HydrophobicContact CD1-CD2 4.01Å; V1297-L1302 HydrophobicContact CG1-CD1 4.18Å; K1298-L1302 PolarHBondContact O-N 3.48Å; P1299-L1302 WeakPolarHBondContact O-CB 3.49Å; P1299-L1302 PolarHBondContact O-N 3.32Å; P1299-L1302 VanDerWaalsContact O-N 3.13Å; L1300-L1302 VanDerWaalsContact C-N 3.33Å; L1302-Q1304 VanDerWaalsContact C-N 3.3Å; L1302-Q1304 PolarHBondContact O-N 3.23Å; L1302-R1305 PolarHBondContact O-N 3.29Å; L1302-M1306 WeakPolarHBondContact O-CB 3.41Å; L1302-M1306 WeakPolarHBondContact O-CG 3.42Å; L1302-M1306 PolarHBondContact O-N 2.85Å |
| 1303 | V | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | F1051 L1054 P1299 L1300 M1306 R1307 I1314 F1320 | F1051-V1303 HydrophobicContact CD2-CG1 4.26Å; F1051-V1303 HydrophobicContact CD2-CG2 4.47Å; F1051-V1303 HydrophobicContact CE2-CG1 4Å; F1051-V1303 HydrophobicContact CE2-CG2 4.47Å; L1054-V1303 HydrophobicContact CD2-CB 3.65Å; L1054-V1303 HydrophobicContact CD2-CG1 3.47Å; L1054-V1303 VanDerWaalsContact CD2-CG1 3.47Å; P1299-V1303 WeakPolarHBondContact O-CG2 3.48Å; P1299-V1303 PolarHBondContact O-N 3.4Å; L1300-V1303 PolarHBondContact O-N 3.13Å; V1303-M1306 HydrophobicContact CB-CE 4.42Å; V1303-M1306 HydrophobicContact CG2-CE 4.11Å; V1303-R1307 HydrophobicContact CG1-CG 4.17Å; V1303-R1307 WeakPolarHBondContact O-CB 3.32Å; V1303-R1307 WeakPolarHBondContact O-CG 3.35Å; V1303-R1307 PolarHBondContact O-N 2.72Å; V1303-I1314 HydrophobicContact CG2-CD1 4.01Å; V1303-F1320 HydrophobicContact CG2-CD2 3.82Å; V1303-F1320 HydrophobicContact CG2-CE2 3.84Å |
| 1304 | Q | 96.6 | Very high | 96 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 35% | 0.346 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.5 | -55.2 | 175.7 | -166.1 | -176.1 | -54.5 | 0 | 0 | 111 | L1054 L1300 E1301 L1302 M1306 R1307 E1308 | L1054-Q1304 HydrophobicContact CD1-CB 4.1Å; L1054-Q1304 HydrophobicContact CD1-CG 4.25Å; L1054-Q1304 HydrophobicContact CD2-CB 4.48Å; L1300-Q1304 PolarHBondContact O-N 3.09Å; E1301-Q1304 PolarHBondContact O-N 2.62Å; L1302-Q1304 VanDerWaalsContact C-N 3.3Å; L1302-Q1304 PolarHBondContact O-N 3.23Å; Q1304-M1306 VanDerWaalsContact C-N 3.29Å; Q1304-M1306 PolarHBondContact O-N 3.27Å; Q1304-R1307 CarbonylContact O-C 3.58Å; Q1304-R1307 PolarHBondContact O-N 3.36Å; Q1304-E1308 PolarHBondContact NE2-OE1 2.79Å; Q1304-E1308 VanDerWaalsContact NE2-OE1 3.09Å; Q1304-E1308 WeakPolarHBondContact O-CG 3.44Å; Q1304-E1308 PolarHBondContact O-N 3.29Å |
| 1305 | R | 96.6 | Very high | 95.7 | Very high | 82 Ų | 82 | 26.2 Ų | 26.2 | 31% | 0.309 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -53.2 | -46.2 | 177.4 | -72.9 | 179 | -177.6 | 95.1 | 5.8 | 111.2 | M1105 E1301 L1302 E1308 H1309 | M1105-R1305 HydrophobicContact CE-CB 4.06Å; M1105-R1305 HydrophobicContact SD-CB 4.25Å; E1301-R1305 WeakPolarHBondContact O-CB 3.29Å; E1301-R1305 WeakPolarHBondContact O-CG 3.36Å; E1301-R1305 PolarHBondContact O-N 3.29Å; E1301-R1305 IonicContact OE2-CZ 2.73Å; E1301-R1305 VanDerWaalsContact OE2-CZ 3.29Å; E1301-R1305 IonicContact OE2-NH1 2.7Å; E1301-R1305 PolarHBondContact OE2-NH1 2.79Å; E1301-R1305 IonicContact OE2-NH2 2.76Å; E1301-R1305 PolarHBondContact OE2-NH2 3.28Å; L1302-R1305 PolarHBondContact O-N 3.29Å; R1305-E1308 WeakPolarHBondContact O-CB 3.41Å; R1305-E1308 PolarHBondContact O-N 3.35Å; R1305-H1309 PolarHBondContact O-CD2 2.86Å |
| 1306 | M | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -49.7 | 173.7 | -78.6 | -163.9 | -58.3 | 0 | 0 | 113.2 | V1103 M1105 I1282 A1283 L1302 V1303 Q1304 E1308 H1309 R1310 L1313 I1314 | V1103-M1306 HydrophobicContact CG1-CG 4.3Å; M1105-M1306 HydrophobicContact CE-CG 3.98Å; M1105-M1306 HydrophobicContact SD-CG 3.68Å; I1282-M1306 HydrophobicContact CB-SD 3.74Å; I1282-M1306 HydrophobicContact CG2-CG 4Å; I1282-M1306 HydrophobicContact CG2-SD 3.47Å; I1282-M1306 WeakPolarHBondContact CG2-SD 3.33Å; A1283-M1306 HydrophobicContact CB-CE 3.85Å; A1283-M1306 HydrophobicContact CB-SD 4.44Å; L1302-M1306 WeakPolarHBondContact O-CB 3.41Å; L1302-M1306 WeakPolarHBondContact O-CG 3.42Å; L1302-M1306 PolarHBondContact O-N 2.85Å; V1303-M1306 HydrophobicContact CB-CE 4.42Å; V1303-M1306 HydrophobicContact CG2-CE 4.11Å; Q1304-M1306 VanDerWaalsContact C-N 3.29Å; Q1304-M1306 PolarHBondContact O-N 3.27Å; M1306-E1308 PolarHBondContact O-N 3.03Å; M1306-H1309 WeakPolarHBondContact O-CA 3.3Å; M1306-H1309 WeakPolarHBondContact O-CB 3.03Å; M1306-H1309 PolarHBondContact O-N 3.38Å; M1306-R1310 PolarHBondContact O-N 2.8Å; M1306-L1313 HydrophobicContact CB-CB 4.17Å; M1306-L1313 HydrophobicContact CB-CD1 3.79Å; M1306-L1313 HydrophobicContact CG-CD1 4.36Å; M1306-L1313 HydrophobicContact SD-CD1 4.47Å; M1306-I1314 HydrophobicContact CE-CD1 3.98Å; M1306-I1314 HydrophobicContact CE-CG1 4.13Å |
| 1307 | R | 97.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 5% | 0.045 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.1 | -15.4 | -179 | -72.2 | -177.6 | -178.2 | 170.9 | 2.8 | 113.7 | L1054 P1055 V1303 Q1304 H1309 R1310 L1313 I1314 | L1054-R1307 PolarHBondContact O-NH1 3.27Å; P1055-R1307 VanDerWaalsContact O-CD 3.32Å; P1055-R1307 WeakPolarHBondContact O-CD 3.29Å; V1303-R1307 HydrophobicContact CG1-CG 4.17Å; V1303-R1307 WeakPolarHBondContact O-CB 3.32Å; V1303-R1307 WeakPolarHBondContact O-CG 3.35Å; V1303-R1307 PolarHBondContact O-N 2.72Å; Q1304-R1307 CarbonylContact O-C 3.58Å; Q1304-R1307 PolarHBondContact O-N 3.36Å; R1307-H1309 VanDerWaalsContact C-N 3.27Å; R1307-R1310 WeakPolarHBondContact CA-O 3.44Å; R1307-L1313 HydrophobicContact CG-CB 4.38Å; R1307-L1313 PolarHBondContact NE-O 3.07Å; R1307-L1313 PolarHBondContact NH2-O 2.82Å; R1307-I1314 PolarHBondContact NH2-O 3.41Å |
| 1308 | E | 96.1 | Very high | 94.9 | Very high | 61 Ų | 61 | 29.2 Ų | 29.2 | 29% | 0.285 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -71.9 | -22.1 | 167.1 | -70.5 | -174.3 | -141.8 | 0 | 0 | 113.2 | K1058 Q1304 R1305 M1306 | K1058-E1308 HydrophobicContact CD-CB 3.81Å; K1058-E1308 HydrophobicContact CD-CG 3.76Å; K1058-E1308 WeakPolarHBondContact CE-OE2 3.5Å; K1058-E1308 HydrophobicContact CG-CG 4.14Å; K1058-E1308 IonicContact NZ-OE2 2.66Å; K1058-E1308 PolarHBondContact NZ-OE2 2.97Å; Q1304-E1308 PolarHBondContact NE2-OE1 2.79Å; Q1304-E1308 VanDerWaalsContact NE2-OE1 3.09Å; Q1304-E1308 WeakPolarHBondContact O-CG 3.44Å; Q1304-E1308 PolarHBondContact O-N 3.29Å; R1305-E1308 WeakPolarHBondContact O-CB 3.41Å; R1305-E1308 PolarHBondContact O-N 3.35Å; M1306-E1308 PolarHBondContact O-N 3.03Å |
| 1309 | H | 97.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 26.6 Ų | 26.6 | 24% | 0.241 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -100.4 | -41.6 | 179.7 | -82.7 | -86 | 0 | 0 | 0 | 114.1 | T1086 F1102 V1103 R1305 M1306 R1307 | T1086-H1309 WeakPolarHBondContact CB-O 3.47Å; T1086-H1309 PolarHBondContact OG1-O 2.91Å; F1102-H1309 WeakPolarHBondContact O-CB 3.28Å; F1102-H1309 PolarHBondContact O-ND1 3.27Å; V1103-H1309 HydrophobicContact CB-CB 4.09Å; V1103-H1309 HydrophobicContact CG1-CB 4.07Å; V1103-H1309 HydrophobicContact CG2-CB 3.91Å; R1305-H1309 PolarHBondContact O-CD2 2.86Å; M1306-H1309 WeakPolarHBondContact O-CA 3.3Å; M1306-H1309 WeakPolarHBondContact O-CB 3.03Å; M1306-H1309 PolarHBondContact O-N 3.38Å; R1307-H1309 VanDerWaalsContact C-N 3.27Å |
| 1310 | R | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -140.3 | 128.7 | 173.1 | -172.7 | 174.5 | 171.8 | 82.9 | -2.8 | 110.5 | N1099 S1101 V1103 A1118 A1273 G1274 I1275 M1306 R1307 L1313 | N1099-R1310 PolarHBondContact OD1-NH1 3.34Å; N1099-R1310 VanDerWaalsContact OD1-NH1 3.15Å; N1099-R1310 PolarHBondContact OD1-NH2 2.9Å; S1101-R1310 PolarHBondContact OG-NH1 2.76Å; S1101-R1310 VanDerWaalsContact OG-NH1 3.12Å; V1103-R1310 HydrophobicContact CG2-CB 4.17Å; A1118-R1310 VanDerWaalsContact CB-CD 3.49Å; A1118-R1310 WeakPolarHBondContact O-CD 3.42Å; A1118-R1310 PolarHBondContact O-NE 3.08Å; A1118-R1310 PolarHBondContact O-NH1 3.49Å; A1273-R1310 PolarHBondContact O-NH2 3.4Å; G1274-R1310 PolarHBondContact O-NE 2.85Å; I1275-R1310 HydrophobicContact CG2-CG 4.27Å; M1306-R1310 PolarHBondContact O-N 2.8Å; R1307-R1310 WeakPolarHBondContact CA-O 3.44Å; R1310-L1313 HydrophobicContact CB-CD1 3.8Å; R1310-L1313 HydrophobicContact CB-CG 4.2Å |
| 1311 | A | 94.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 140.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1057 Y1083 I1275 L1313 | R1057-A1311 HydrophobicContact CG-CB 3.89Å; Y1083-A1311 HydrophobicContact CE1-CB 4.38Å; Y1083-A1311 HydrophobicContact CE2-CB 4.3Å; I1275-A1311 VanDerWaalsContact CG2-O 3.28Å; I1275-A1311 WeakPolarHBondContact CG2-O 3.2Å; A1311-L1313 PolarHBondContact O-N 3.36Å; A1311-L1313 VanDerWaalsContact O-N 3.1Å |
| 1312 | M | 93.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 19.6 | 166 | -54.7 | 174.3 | -67.7 | 0 | 0 | 116.5 | R1056 I1080 I1275 I1314 | R1056-M1312 HydrophobicContact CB-CG 4.07Å; R1056-M1312 VanDerWaalsContact O-CG 3.31Å; R1056-M1312 WeakPolarHBondContact O-CG 3.44Å; R1056-M1312 PolarHBondContact O-N 3Å; I1080-M1312 HydrophobicContact CD1-CE 3.49Å; I1080-M1312 VanDerWaalsContact CD1-CE 3.49Å; I1080-M1312 HydrophobicContact CD1-SD 4.48Å; I1275-M1312 HydrophobicContact CD1-CB 3.77Å; I1275-M1312 HydrophobicContact CD1-CE 4.43Å; M1312-I1314 PolarHBondContact O-N 3.45Å |
| 1313 | L | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -55 | 130.9 | 167.8 | -80.6 | 166.7 | 0 | 0 | 0 | 110.3 | V1103 I1275 T1278 M1306 R1307 R1310 A1311 | V1103-L1313 HydrophobicContact CG1-CD1 4.41Å; V1103-L1313 HydrophobicContact CG2-CD1 3.92Å; I1275-L1313 WeakPolarHBondContact O-CA 3.29Å; T1278-L1313 HydrophobicContact CG2-CD2 4.02Å; M1306-L1313 HydrophobicContact CB-CB 4.17Å; M1306-L1313 HydrophobicContact CB-CD1 3.79Å; M1306-L1313 HydrophobicContact CG-CD1 4.36Å; M1306-L1313 HydrophobicContact SD-CD1 4.47Å; R1307-L1313 HydrophobicContact CG-CB 4.38Å; R1307-L1313 PolarHBondContact NE-O 3.07Å; R1307-L1313 PolarHBondContact NH2-O 2.82Å; R1310-L1313 HydrophobicContact CB-CD1 3.8Å; R1310-L1313 HydrophobicContact CB-CG 4.2Å; A1311-L1313 PolarHBondContact O-N 3.36Å; A1311-L1313 VanDerWaalsContact O-N 3.1Å |
| 1314 | I | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 58.2 | 111.4 | -162 | -54.8 | -171 | 0 | 0 | 0 | 111.6 | F1051 I1275 G1279 V1280 A1283 V1303 M1306 R1307 M1312 Q1319 F1320 V1323 | F1051-I1314 HydrophobicContact CE2-CB 4.2Å; F1051-I1314 HydrophobicContact CE2-CG2 3.82Å; F1051-I1314 HydrophobicContact CZ-CB 4.37Å; F1051-I1314 HydrophobicContact CZ-CG2 3.73Å; I1275-I1314 PolarHBondContact O-N 2.89Å; G1279-I1314 VanDerWaalsContact C-CG1 3.42Å; V1280-I1314 HydrophobicContact CG2-CD1 4.4Å; V1280-I1314 HydrophobicContact CG2-CG1 4.25Å; A1283-I1314 HydrophobicContact CB-CD1 4.06Å; V1303-I1314 HydrophobicContact CG2-CD1 4.01Å; M1306-I1314 HydrophobicContact CE-CD1 3.98Å; M1306-I1314 HydrophobicContact CE-CG1 4.13Å; R1307-I1314 PolarHBondContact NH2-O 3.41Å; M1312-I1314 PolarHBondContact O-N 3.45Å; I1314-Q1319 HydrophobicContact CG2-CB 3.78Å; I1314-F1320 HydrophobicContact CG2-CB 4.02Å; I1314-V1323 HydrophobicContact CD1-CG2 3.88Å |
| 1315 | Q | 86 | Confident | 94.7 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 14% | 0.136 | 13% | 0.13 | C | C | . | . | trans | -92.1 | -36.5 | -168.5 | -76.7 | 179.1 | -53.4 | 0 | 0 | 114.5 | H1240 I1275 Q1319 | H1240-Q1315 PolarHBondContact ND1-OE1 3.29Å; I1275-Q1315 HydrophobicContact CD1-CG 3.8Å; I1275-Q1315 HydrophobicContact CG1-CG 4.08Å; Q1315-Q1319 VanDerWaalsContact N-OE1 3.11Å | ||
| 1316 | T | 87.5 | Confident | 94.7 | Very high | 45 Ų | 45 | 21.4 Ų | 21.4 | 28% | 0.276 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -122.2 | 153.7 | -169.4 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | H1240 G1318 Q1319 F1320 | H1240-T1316 HydrophobicContact CB-CG2 4.33Å; H1240-T1316 PolarHBondContact O-OG1 3.29Å; T1316-G1318 VanDerWaalsContact C-N 3.27Å; T1316-G1318 PolarHBondContact O-N 2.87Å; T1316-Q1319 PolarHBondContact O-N 2.76Å; T1316-Q1319 VanDerWaalsContact O-N 3.15Å; T1316-Q1319 WeakPolarHBondContact OG1-CB 3.45Å; T1316-Q1319 VanDerWaalsContact OG1-CG 3.27Å; T1316-Q1319 WeakPolarHBondContact OG1-CG 3.49Å; T1316-Q1319 PolarHBondContact OG1-N 3.01Å; T1316-F1320 PolarHBondContact O-N 2.77Å; T1316-F1320 VanDerWaalsContact O-N 3.15Å |
| 1317 | T | 90.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 21.5 Ų | 21.5 | 22% | 0.221 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 176.7 | -45.2 | 0 | 0 | 0 | 0 | 111.2 | L1048 E1052 Q1319 F1320 Q1321 | L1048-T1317 HydrophobicContact CB-CG2 3.95Å; L1048-T1317 HydrophobicContact CD2-CG2 4.39Å; E1052-T1317 HydrophobicContact CG-CG2 4.22Å; E1052-T1317 WeakPolarHBondContact CG-OG1 3.36Å; E1052-T1317 WeakPolarHBondContact OE1-CB 3.35Å; E1052-T1317 WeakPolarHBondContact OE1-CG2 3.45Å; E1052-T1317 PolarHBondContact OE1-OG1 2.92Å; T1317-Q1319 PolarHBondContact O-N 3.39Å; T1317-F1320 PolarHBondContact O-N 3.07Å; T1317-F1320 VanDerWaalsContact O-N 3.13Å; T1317-Q1321 WeakPolarHBondContact O-CB 3.32Å; T1317-Q1321 PolarHBondContact O-N 3.25Å |
| 1318 | G | 89.5 | Confident | 94.6 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 41% | 0.412 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62 | -38.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1316 F1320 F1322 | T1316-G1318 VanDerWaalsContact C-N 3.27Å; T1316-G1318 PolarHBondContact O-N 2.87Å; G1318-F1320 VanDerWaalsContact C-N 3.32Å; G1318-F1320 PolarHBondContact O-N 2.81Å; G1318-F1322 VanDerWaalsContact O-CB 3.29Å; G1318-F1322 WeakPolarHBondContact O-CB 3.24Å; G1318-F1322 PolarHBondContact O-N 2.88Å |
| 1319 | Q | 93.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -35.8 | 172.5 | -79.3 | 177.1 | -8.8 | 0 | 0 | 112.2 | H1240 G1241 V1242 V1280 I1314 Q1315 T1316 T1317 V1323 | H1240-Q1319 PolarHBondContact O-NE2 3.36Å; H1240-Q1319 VanDerWaalsContact O-NE2 3.09Å; G1241-Q1319 PolarHBondContact O-NE2 3.48Å; G1241-Q1319 VanDerWaalsContact O-NE2 3.15Å; V1242-Q1319 HydrophobicContact CG1-CG 4.18Å; V1280-Q1319 HydrophobicContact CG2-CB 3.78Å; V1280-Q1319 HydrophobicContact CG2-CG 4.03Å; I1314-Q1319 HydrophobicContact CG2-CB 3.78Å; Q1315-Q1319 VanDerWaalsContact N-OE1 3.11Å; T1316-Q1319 PolarHBondContact O-N 2.76Å; T1316-Q1319 VanDerWaalsContact O-N 3.15Å; T1316-Q1319 WeakPolarHBondContact OG1-CB 3.45Å; T1316-Q1319 VanDerWaalsContact OG1-CG 3.27Å; T1316-Q1319 WeakPolarHBondContact OG1-CG 3.49Å; T1316-Q1319 PolarHBondContact OG1-N 3.01Å; T1317-Q1319 PolarHBondContact O-N 3.39Å; Q1319-V1323 WeakPolarHBondContact O-CG2 3.46Å; Q1319-V1323 PolarHBondContact O-N 2.98Å |
| 1320 | F | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.9 | -42 | 176.8 | 177.1 | -106.2 | 0 | 0 | 0 | 112.9 | L1047 L1048 F1051 P1299 L1300 V1303 I1314 T1316 T1317 G1318 F1322 V1323 C1324 | L1047-F1320 HydrophobicContact CD2-CE1 4.01Å; L1047-F1320 HydrophobicContact CD2-CZ 4.06Å; L1047-F1320 HydrophobicContact CG-CE1 3.89Å; L1047-F1320 HydrophobicContact CG-CZ 3.99Å; L1048-F1320 HydrophobicContact CD2-CD1 3.84Å; L1048-F1320 HydrophobicContact CD2-CE1 4.19Å; F1051-F1320 HydrophobicContact CB-CD1 3.38Å; F1051-F1320 HydrophobicContact CB-CD2 4.34Å; F1051-F1320 HydrophobicContact CB-CE1 3.49Å; F1051-F1320 VanDerWaalsContact CB-CE1 3.49Å; F1051-F1320 HydrophobicContact CB-CE2 4.42Å; F1051-F1320 HydrophobicContact CB-CG 3.84Å; F1051-F1320 HydrophobicContact CB-CZ 4.03Å; F1051-F1320 HydrophobicContact CD1-CB 3.83Å; F1051-F1320 HydrophobicContact CD1-CD1 4.08Å; F1051-F1320 HydrophobicContact CD1-CG 4.02Å; F1051-F1320 HydrophobicContact CD2-CB 3.65Å; F1051-F1320 AromaticContact CD2-CD1 3.85Å; F1051-F1320 HydrophobicContact CD2-CD1 3.85Å; F1051-F1320 AromaticContact CD2-CD2 3.41Å; F1051-F1320 HydrophobicContact CD2-CD2 3.41Å; F1051-F1320 VanDerWaalsContact CD2-CD2 3.41Å; F1051-F1320 HydrophobicContact CD2-CE1 4.39Å; F1051-F1320 AromaticContact CD2-CE2 3.99Å; F1051-F1320 HydrophobicContact CD2-CE2 3.99Å; F1051-F1320 AromaticContact CD2-CG 3.32Å; F1051-F1320 HydrophobicContact CD2-CG 3.32Å; F1051-F1320 HydrophobicContact CD2-CZ 4.45Å; F1051-F1320 HydrophobicContact CE1-CB 3.85Å; F1051-F1320 HydrophobicContact CE1-CG 4.46Å; F1051-F1320 HydrophobicContact CE2-CB 3.63Å; F1051-F1320 AromaticContact CE2-CD2 3.88Å; F1051-F1320 HydrophobicContact CE2-CD2 3.88Å; F1051-F1320 AromaticContact CE2-CG 3.81Å; F1051-F1320 HydrophobicContact CE2-CG 3.81Å; F1051-F1320 HydrophobicContact CG-CB 3.74Å; F1051-F1320 AromaticContact CG-CD1 3.5Å; F1051-F1320 HydrophobicContact CG-CD1 3.5Å; F1051-F1320 VanDerWaalsContact CG-CD1 3.5Å; F1051-F1320 AromaticContact CG-CD2 3.98Å; F1051-F1320 HydrophobicContact CG-CD2 3.98Å; F1051-F1320 HydrophobicContact CG-CE1 4.08Å; F1051-F1320 HydrophobicContact CG-CE2 4.49Å; F1051-F1320 AromaticContact CG-CG 3.43Å; F1051-F1320 HydrophobicContact CG-CG 3.43Å; F1051-F1320 VanDerWaalsContact CG-CG 3.43Å; F1051-F1320 HydrophobicContact CZ-CB 3.74Å; F1051-F1320 HydrophobicContact CZ-CG 4.36Å; P1299-F1320 HydrophobicContact CB-CE2 3.79Å; P1299-F1320 HydrophobicContact CB-CZ 4.03Å; L1300-F1320 HydrophobicContact CD2-CE1 4.19Å; L1300-F1320 HydrophobicContact CD2-CE2 4.24Å; L1300-F1320 HydrophobicContact CD2-CZ 3.64Å; L1300-F1320 HydrophobicContact CG-CZ 3.96Å; V1303-F1320 HydrophobicContact CG2-CD2 3.82Å; V1303-F1320 HydrophobicContact CG2-CE2 3.84Å; I1314-F1320 HydrophobicContact CG2-CB 4.02Å; T1316-F1320 PolarHBondContact O-N 2.77Å; T1316-F1320 VanDerWaalsContact O-N 3.15Å; T1317-F1320 PolarHBondContact O-N 3.07Å; T1317-F1320 VanDerWaalsContact O-N 3.13Å; G1318-F1320 VanDerWaalsContact C-N 3.32Å; G1318-F1320 PolarHBondContact O-N 2.81Å; F1320-F1322 PolarHBondContact O-N 2.63Å; F1320-V1323 WeakPolarHBondContact O-CB 3.34Å; F1320-V1323 PolarHBondContact O-N 2.85Å; F1320-C1324 PolarHBondContact O-N 3.09Å; F1320-C1324 VanDerWaalsContact O-N 3.1Å; F1320-C1324 PolarHBondContact O-SG 3.05Å |
| 1321 | Q | 94.9 | Very high | 94.4 | Very high | 69 Ų | 69 | 21.1 Ų | 21.1 | 32% | 0.322 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -55.1 | -51.4 | 172.2 | 174.5 | 173.4 | -11.1 | 0 | 0 | 110.6 | L1042 L1048 T1317 V1323 C1324 E1325 | L1042-Q1321 HydrophobicContact CD1-CG 4.37Å; L1048-Q1321 HydrophobicContact CD2-CB 3.75Å; L1048-Q1321 HydrophobicContact CD2-CG 4.39Å; T1317-Q1321 WeakPolarHBondContact O-CB 3.32Å; T1317-Q1321 PolarHBondContact O-N 3.25Å; Q1321-V1323 VanDerWaalsContact C-N 3.3Å; Q1321-V1323 PolarHBondContact O-N 2.92Å; Q1321-C1324 WeakPolarHBondContact O-CA 3.46Å; Q1321-C1324 WeakPolarHBondContact O-CB 3.39Å; Q1321-C1324 PolarHBondContact O-N 2.71Å; Q1321-E1325 HydrophobicContact CG-CG 4.3Å; Q1321-E1325 VanDerWaalsContact CG-OE1 3.26Å; Q1321-E1325 WeakPolarHBondContact CG-OE1 3.41Å; Q1321-E1325 PolarHBondContact NE2-OE1 3.45Å; Q1321-E1325 WeakPolarHBondContact O-CG 3.31Å; Q1321-E1325 PolarHBondContact O-N 2.86Å |
| 1322 | F | 95.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.057 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -34.5 | 179.1 | 175.8 | -85.2 | 0 | 0 | 0 | 113.2 | V1242 P1243 T1246 L1249 V1280 I1284 G1318 F1320 T1326 | V1242-F1322 HydrophobicContact CB-CB 4.22Å; V1242-F1322 HydrophobicContact CB-CD1 4.19Å; V1242-F1322 HydrophobicContact CB-CD2 3.71Å; V1242-F1322 HydrophobicContact CB-CE2 4.08Å; V1242-F1322 HydrophobicContact CB-CG 3.77Å; V1242-F1322 HydrophobicContact CG1-CB 3.59Å; V1242-F1322 HydrophobicContact CG1-CD1 4.14Å; V1242-F1322 HydrophobicContact CG1-CD2 4.07Å; V1242-F1322 HydrophobicContact CG1-CG 3.67Å; V1242-F1322 HydrophobicContact CG2-CD2 3.82Å; V1242-F1322 HydrophobicContact CG2-CE2 4.25Å; V1242-F1322 HydrophobicContact CG2-CG 4.31Å; P1243-F1322 HydrophobicContact CG-CZ 4.3Å; T1246-F1322 HydrophobicContact CG2-CE2 4.28Å; T1246-F1322 HydrophobicContact CG2-CZ 4.1Å; L1249-F1322 HydrophobicContact CD2-CE1 3.47Å; L1249-F1322 VanDerWaalsContact CD2-CE1 3.47Å; L1249-F1322 HydrophobicContact CD2-CZ 3.81Å; V1280-F1322 HydrophobicContact CG1-CD1 4.19Å; V1280-F1322 HydrophobicContact CG1-CE1 4.32Å; I1284-F1322 HydrophobicContact CD1-CE1 4.28Å; G1318-F1322 VanDerWaalsContact O-CB 3.29Å; G1318-F1322 WeakPolarHBondContact O-CB 3.24Å; G1318-F1322 PolarHBondContact O-N 2.88Å; F1320-F1322 PolarHBondContact O-N 2.63Å; F1322-T1326 WeakPolarHBondContact CE1-OG1 3.2Å; F1322-T1326 VanDerWaalsContact O-CB 3.27Å; F1322-T1326 WeakPolarHBondContact O-CB 3.1Å; F1322-T1326 PolarHBondContact O-N 2.9Å; F1322-T1326 PolarHBondContact O-OG1 3.24Å |
| 1323 | V | 97.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 170.1 | 165.3 | 0 | 0 | 0 | 0 | 110.7 | V1280 A1283 I1284 I1314 Q1319 F1320 Q1321 T1326 I1327 | V1280-V1323 HydrophobicContact CB-CG2 4.12Å; V1280-V1323 HydrophobicContact CG1-CG2 3.76Å; V1280-V1323 HydrophobicContact CG2-CG2 4.13Å; A1283-V1323 HydrophobicContact CB-CG1 3.81Å; A1283-V1323 HydrophobicContact CB-CG2 4.22Å; I1284-V1323 HydrophobicContact CD1-CG2 4.21Å; I1284-V1323 HydrophobicContact CG1-CG1 4.37Å; I1284-V1323 HydrophobicContact CG1-CG2 4.13Å; I1314-V1323 HydrophobicContact CD1-CG2 3.88Å; Q1319-V1323 WeakPolarHBondContact O-CG2 3.46Å; Q1319-V1323 PolarHBondContact O-N 2.98Å; F1320-V1323 WeakPolarHBondContact O-CB 3.34Å; F1320-V1323 PolarHBondContact O-N 2.85Å; Q1321-V1323 VanDerWaalsContact C-N 3.3Å; Q1321-V1323 PolarHBondContact O-N 2.92Å; V1323-T1326 PolarHBondContact O-N 3.26Å; V1323-I1327 HydrophobicContact CG1-CD1 3.71Å; V1323-I1327 WeakPolarHBondContact O-CD1 3.34Å; V1323-I1327 WeakPolarHBondContact O-CG1 3.29Å; V1323-I1327 PolarHBondContact O-N 2.76Å |
| 1324 | C | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 179.8 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | L1038 L1042 L1047 F1320 Q1321 I1327 L1328 | L1038-C1324 HydrophobicContact CD1-CB 3.89Å; L1042-C1324 HydrophobicContact CD1-CB 4.11Å; L1042-C1324 HydrophobicContact CD2-CB 4.06Å; L1047-C1324 HydrophobicContact CD2-CB 4.32Å; L1047-C1324 VanDerWaalsContact CD2-SG 3.53Å; F1320-C1324 PolarHBondContact O-N 3.09Å; F1320-C1324 VanDerWaalsContact O-N 3.1Å; F1320-C1324 PolarHBondContact O-SG 3.05Å; Q1321-C1324 WeakPolarHBondContact O-CA 3.46Å; Q1321-C1324 WeakPolarHBondContact O-CB 3.39Å; Q1321-C1324 PolarHBondContact O-N 2.71Å; C1324-I1327 PolarHBondContact O-N 2.82Å; C1324-L1328 WeakPolarHBondContact O-CG 3.38Å; C1324-L1328 PolarHBondContact O-N 3.1Å; C1324-L1328 VanDerWaalsContact O-N 3.1Å |
| 1325 | E | 96.5 | Very high | 92.9 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 39% | 0.388 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.7 | -67.9 | 171.9 | 173 | 0 | 0 | 112 | L1042 Q1321 L1328 K1329 | L1042-E1325 HydrophobicContact CD2-CG 3.92Å; Q1321-E1325 HydrophobicContact CG-CG 4.3Å; Q1321-E1325 VanDerWaalsContact CG-OE1 3.26Å; Q1321-E1325 WeakPolarHBondContact CG-OE1 3.41Å; Q1321-E1325 PolarHBondContact NE2-OE1 3.45Å; Q1321-E1325 WeakPolarHBondContact O-CG 3.31Å; Q1321-E1325 PolarHBondContact O-N 2.86Å; E1325-L1328 PolarHBondContact O-N 3.15Å; E1325-K1329 WeakPolarHBondContact O-CB 3.4Å; E1325-K1329 PolarHBondContact O-N 3.4Å |
| 1326 | T | 97.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | T1246 I1250 I1284 F1322 V1323 K1329 V1330 | T1246-T1326 HydrophobicContact CG2-CG2 3.94Å; T1246-T1326 WeakPolarHBondContact CG2-OG1 3.41Å; I1250-T1326 HydrophobicContact CD1-CG2 4.16Å; I1250-T1326 HydrophobicContact CG1-CG2 3.84Å; I1284-T1326 HydrophobicContact CD1-CG2 3.96Å; I1284-T1326 HydrophobicContact CG1-CG2 4.25Å; I1284-T1326 HydrophobicContact CG2-CG2 4.02Å; F1322-T1326 WeakPolarHBondContact CE1-OG1 3.2Å; F1322-T1326 VanDerWaalsContact O-CB 3.27Å; F1322-T1326 WeakPolarHBondContact O-CB 3.1Å; F1322-T1326 PolarHBondContact O-N 2.9Å; F1322-T1326 PolarHBondContact O-OG1 3.24Å; V1323-T1326 PolarHBondContact O-N 3.26Å; T1326-K1329 PolarHBondContact O-N 2.91Å; T1326-V1330 WeakPolarHBondContact O-CG2 3.35Å; T1326-V1330 PolarHBondContact O-N 3.39Å |
| 1327 | I | 97.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -49.2 | 176.4 | -69.3 | 163.1 | 0 | 0 | 0 | 110.5 | M1035 L1038 S1287 M1291 V1297 P1299 V1323 C1324 K1329 V1330 F1331 | M1035-I1327 HydrophobicContact CE-CG2 3.89Å; M1035-I1327 HydrophobicContact SD-CG2 4.01Å; L1038-I1327 HydrophobicContact CD2-CB 4.18Å; L1038-I1327 HydrophobicContact CD2-CG2 3.72Å; S1287-I1327 WeakPolarHBondContact OG-CD1 3.38Å; M1291-I1327 HydrophobicContact CE-CG2 4.33Å; M1291-I1327 HydrophobicContact SD-CG2 4.31Å; V1297-I1327 HydrophobicContact CG1-CD1 4.11Å; V1297-I1327 HydrophobicContact CG1-CG2 4Å; P1299-I1327 HydrophobicContact CB-CD1 4.48Å; P1299-I1327 HydrophobicContact CG-CD1 3.81Å; V1323-I1327 HydrophobicContact CG1-CD1 3.71Å; V1323-I1327 WeakPolarHBondContact O-CD1 3.34Å; V1323-I1327 WeakPolarHBondContact O-CG1 3.29Å; V1323-I1327 PolarHBondContact O-N 2.76Å; C1324-I1327 PolarHBondContact O-N 2.82Å; I1327-K1329 VanDerWaalsContact C-N 3.34Å; I1327-K1329 PolarHBondContact O-N 2.87Å; I1327-V1330 PolarHBondContact O-N 2.86Å; I1327-F1331 WeakPolarHBondContact O-CB 3.22Å; I1327-F1331 PolarHBondContact O-N 3.44Å |
| 1328 | L | 96.6 | Very high | 90.7 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.2 | -68.7 | 171.5 | 0 | 0 | 0 | 111.3 | M1035 L1038 E1039 L1042 C1324 E1325 V1330 F1331 H1332 | M1035-L1328 HydrophobicContact SD-CD2 4.26Å; L1038-L1328 HydrophobicContact CB-CD2 4.29Å; L1038-L1328 HydrophobicContact CD2-CD2 3.93Å; L1038-L1328 HydrophobicContact CD2-CG 3.91Å; L1038-L1328 HydrophobicContact CG-CD1 4.25Å; L1038-L1328 HydrophobicContact CG-CD2 3.99Å; L1038-L1328 HydrophobicContact CG-CG 4.03Å; E1039-L1328 HydrophobicContact CB-CD1 4.25Å; E1039-L1328 HydrophobicContact CB-CD2 4.19Å; L1042-L1328 HydrophobicContact CD2-CD1 4.04Å; C1324-L1328 WeakPolarHBondContact O-CG 3.38Å; C1324-L1328 PolarHBondContact O-N 3.1Å; C1324-L1328 VanDerWaalsContact O-N 3.1Å; E1325-L1328 PolarHBondContact O-N 3.15Å; L1328-V1330 PolarHBondContact O-N 3.18Å; L1328-F1331 PolarHBondContact O-N 2.93Å; L1328-H1332 PolarHBondContact O-CD2 2.86Å; L1328-H1332 VanDerWaalsContact O-CG 3.29Å; L1328-H1332 PolarHBondContact O-N 3.29Å |
| 1329 | K | 95.8 | Very high | 89.6 | Confident | 76 Ų | 76 | 43.2 Ų | 43.2 | 33% | 0.33 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 178.3 | -166.4 | -179.2 | -172.7 | -169.2 | 0 | 112.5 | T1246 D1247 I1250 E1325 T1326 I1327 R1333 | T1246-K1329 HydrophobicContact CG2-CD 3.99Å; D1247-K1329 WeakPolarHBondContact OD1-CE 3.48Å; D1247-K1329 IonicContact OD1-NZ 3.47Å; D1247-K1329 PolarHBondContact OD1-NZ 2.95Å; D1247-K1329 IonicContact OD2-NZ 3.83Å; D1247-K1329 PolarHBondContact OD2-NZ 3.38Å; I1250-K1329 HydrophobicContact CD1-CD 4.14Å; I1250-K1329 HydrophobicContact CD1-CG 4.48Å; E1325-K1329 WeakPolarHBondContact O-CB 3.4Å; E1325-K1329 PolarHBondContact O-N 3.4Å; T1326-K1329 PolarHBondContact O-N 2.91Å; I1327-K1329 VanDerWaalsContact C-N 3.34Å; I1327-K1329 PolarHBondContact O-N 2.87Å; K1329-R1333 WeakPolarHBondContact O-CB 3.44Å; K1329-R1333 PolarHBondContact O-N 3.19Å |
| 1330 | V | 95.2 | Very high | 88 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 176.2 | 175 | 0 | 0 | 0 | 0 | 111.2 | I1250 I1288 M1291 T1326 I1327 L1328 H1332 R1333 N1334 | I1250-V1330 HydrophobicContact CD1-CG2 3.63Å; I1250-V1330 HydrophobicContact CG1-CG2 3.72Å; I1250-V1330 HydrophobicContact CG2-CG2 4.01Å; I1288-V1330 HydrophobicContact CD1-CG1 4.48Å; I1288-V1330 HydrophobicContact CD1-CG2 4.29Å; I1288-V1330 HydrophobicContact CG1-CG1 4.18Å; M1291-V1330 HydrophobicContact CE-CB 4.01Å; M1291-V1330 HydrophobicContact CE-CG1 3.79Å; T1326-V1330 WeakPolarHBondContact O-CG2 3.35Å; T1326-V1330 PolarHBondContact O-N 3.39Å; I1327-V1330 PolarHBondContact O-N 2.86Å; L1328-V1330 PolarHBondContact O-N 3.18Å; V1330-H1332 PolarHBondContact O-N 3.2Å; V1330-R1333 PolarHBondContact O-N 3.42Å; V1330-N1334 WeakPolarHBondContact O-CB 3.4Å; V1330-N1334 PolarHBondContact O-N 2.72Å; V1330-N1334 PolarHBondContact O-OD1 2.87Å |
| 1331 | F | 94.5 | Very high | 86.4 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 176.2 | 178.1 | -107 | 0 | 0 | 0 | 111.8 | L1031 L1032 M1035 M1291 I1327 L1328 R1333 N1334 H1335 | L1031-F1331 HydrophobicContact CD2-CD2 4.23Å; L1031-F1331 HydrophobicContact CD2-CE2 3.99Å; L1031-F1331 HydrophobicContact CG-CD2 4.34Å; L1031-F1331 HydrophobicContact CG-CE2 3.97Å; L1032-F1331 HydrophobicContact CD1-CE1 4.28Å; L1032-F1331 HydrophobicContact CD1-CZ 3.97Å; M1035-F1331 HydrophobicContact CB-CD1 3.91Å; M1035-F1331 HydrophobicContact CB-CE1 3.83Å; M1035-F1331 HydrophobicContact CB-CG 4.37Å; M1035-F1331 HydrophobicContact CB-CZ 4.24Å; M1035-F1331 HydrophobicContact CG-CB 4.28Å; M1035-F1331 HydrophobicContact CG-CD1 3.65Å; M1035-F1331 HydrophobicContact CG-CD2 3.71Å; M1035-F1331 HydrophobicContact CG-CE1 3.81Å; M1035-F1331 HydrophobicContact CG-CE2 3.88Å; M1035-F1331 HydrophobicContact CG-CG 3.59Å; M1035-F1331 HydrophobicContact CG-CZ 3.92Å; M1035-F1331 HydrophobicContact SD-CB 3.79Å; M1035-F1331 HydrophobicContact SD-CD1 4.2Å; M1035-F1331 HydrophobicContact SD-CD2 4.18Å; M1035-F1331 HydrophobicContact SD-CG 3.8Å; M1291-F1331 HydrophobicContact SD-CB 3.86Å; M1291-F1331 HydrophobicContact SD-CD2 4.36Å; I1327-F1331 WeakPolarHBondContact O-CB 3.22Å; I1327-F1331 PolarHBondContact O-N 3.44Å; L1328-F1331 PolarHBondContact O-N 2.93Å; F1331-R1333 PolarHBondContact O-N 3.07Å; F1331-N1334 PolarHBondContact O-N 2.72Å; F1331-H1335 AromaticContact CZ-CD2 3.88Å; F1331-H1335 VanDerWaalsContact O-CB 3.29Å; F1331-H1335 WeakPolarHBondContact O-CB 3.28Å; F1331-H1335 PolarHBondContact O-N 2.82Å |
| 1332 | H | 92.1 | Very high | 84.8 | Confident | 93 Ų | 93 | 57.3 Ų | 57.3 | 43% | 0.431 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 178.6 | -63 | -50.4 | 0 | 0 | 0 | 112.6 | L1328 V1330 A1336 | L1328-H1332 PolarHBondContact O-CD2 2.86Å; L1328-H1332 VanDerWaalsContact O-CG 3.29Å; L1328-H1332 PolarHBondContact O-N 3.29Å; V1330-H1332 PolarHBondContact O-N 3.2Å; H1332-A1336 VanDerWaalsContact O-CB 3.29Å; H1332-A1336 WeakPolarHBondContact O-CB 3.44Å; H1332-A1336 PolarHBondContact O-N 3.45Å |
| 1333 | R | 90.6 | Very high | 82.8 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.7 | -54.4 | 174.3 | -175 | -169.8 | 70.1 | 171 | 3.9 | 110.9 | E1254 K1329 V1330 F1331 H1335 A1336 E1337 | E1254-R1333 IonicContact OE1-CZ 2.94Å; E1254-R1333 IonicContact OE1-NH1 2.72Å; E1254-R1333 PolarHBondContact OE1-NH1 2.96Å; E1254-R1333 IonicContact OE1-NH2 2.73Å; E1254-R1333 PolarHBondContact OE1-NH2 3.42Å; K1329-R1333 WeakPolarHBondContact O-CB 3.44Å; K1329-R1333 PolarHBondContact O-N 3.19Å; V1330-R1333 PolarHBondContact O-N 3.42Å; F1331-R1333 PolarHBondContact O-N 3.07Å; R1333-H1335 VanDerWaalsContact C-N 3.31Å; R1333-H1335 PolarHBondContact O-N 3.2Å; R1333-A1336 PolarHBondContact O-N 2.98Å; R1333-E1337 IonicContact NE-OE1 3.26Å; R1333-E1337 PolarHBondContact O-N 3.07Å |
| 1334 | N | 85.5 | Confident | 80.4 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -37.1 | -177.1 | -63.7 | 5.1 | 0 | 0 | 0 | 111.4 | V1330 F1331 E1337 N1338 | V1330-N1334 WeakPolarHBondContact O-CB 3.4Å; V1330-N1334 PolarHBondContact O-N 2.72Å; V1330-N1334 PolarHBondContact O-OD1 2.87Å; F1331-N1334 PolarHBondContact O-N 2.72Å; N1334-E1337 PolarHBondContact O-N 3.06Å; N1334-N1338 PolarHBondContact O-N 2.94Å; N1334-N1338 VanDerWaalsContact O-N 3.12Å |
| 1335 | H | 79.7 | Confident | 77.8 | Confident | 82 Ų | 82 | 71 Ų | 71 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.3 | -36 | 176.1 | -163.7 | -41.4 | 0 | 0 | 0 | 112.5 | F1331 R1333 N1338 L1339 | F1331-H1335 AromaticContact CZ-CD2 3.88Å; F1331-H1335 VanDerWaalsContact O-CB 3.29Å; F1331-H1335 WeakPolarHBondContact O-CB 3.28Å; F1331-H1335 PolarHBondContact O-N 2.82Å; R1333-H1335 VanDerWaalsContact C-N 3.31Å; R1333-H1335 PolarHBondContact O-N 3.2Å; H1335-N1338 PolarHBondContact O-N 3.07Å; H1335-L1339 WeakPolarHBondContact O-CG 3.4Å; H1335-L1339 PolarHBondContact O-N 2.91Å; H1335-L1339 VanDerWaalsContact O-N 3.11Å |
| 1336 | A | 73.2 | Confident | 75.2 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1332 R1333 N1338 L1339 L1340 | H1332-A1336 VanDerWaalsContact O-CB 3.29Å; H1332-A1336 WeakPolarHBondContact O-CB 3.44Å; H1332-A1336 PolarHBondContact O-N 3.45Å; R1333-A1336 PolarHBondContact O-N 2.98Å; A1336-N1338 VanDerWaalsContact C-N 3.31Å; A1336-N1338 PolarHBondContact O-N 2.9Å; A1336-L1339 PolarHBondContact O-N 3.5Å; A1336-L1340 WeakPolarHBondContact O-CG 3.42Å; A1336-L1340 PolarHBondContact O-N 2.87Å |
| 1337 | E | 74 | Confident | 72.5 | Confident | 84 Ų | 84 | 81.2 Ų | 81.2 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 174.1 | -75.1 | 179.5 | -151.7 | 0 | 0 | 113 | R1333 N1334 L1340 K1341 | R1333-E1337 IonicContact NE-OE1 3.26Å; R1333-E1337 PolarHBondContact O-N 3.07Å; N1334-E1337 PolarHBondContact O-N 3.06Å; E1337-L1340 PolarHBondContact O-N 2.99Å; E1337-K1341 WeakPolarHBondContact O-CD 3.36Å; E1337-K1341 WeakPolarHBondContact O-CE 3.37Å; E1337-K1341 VanDerWaalsContact O-CG 3.31Å; E1337-K1341 WeakPolarHBondContact O-CG 3.49Å; E1337-K1341 PolarHBondContact O-N 2.66Å; E1337-K1341 VanDerWaalsContact O-N 3.16Å; E1337-K1341 IonicContact OE2-NZ 2.83Å |
| 1338 | N | 71.7 | Confident | 69.7 | Low | 81 Ų | 81 | 86.2 Ų | 86.2 | 43% | 0.433 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72 | -44.3 | 177.2 | -69.3 | -11 | 0 | 0 | 0 | 111.6 | N1334 H1335 A1336 L1340 K1341 D1342 | N1334-N1338 PolarHBondContact O-N 2.94Å; N1334-N1338 VanDerWaalsContact O-N 3.12Å; H1335-N1338 PolarHBondContact O-N 3.07Å; A1336-N1338 VanDerWaalsContact C-N 3.31Å; A1336-N1338 PolarHBondContact O-N 2.9Å; N1338-L1340 PolarHBondContact O-N 2.85Å; N1338-K1341 WeakPolarHBondContact O-CB 3.43Å; N1338-K1341 PolarHBondContact O-N 2.9Å; N1338-K1341 PolarHBondContact OD1-NZ 2.87Å; N1338-D1342 VanDerWaalsContact O-CG 3.31Å; N1338-D1342 PolarHBondContact O-N 2.58Å |
| 1339 | L | 65.5 | Low | 66.8 | Low | 101 Ų | 101 | 93.5 Ų | 93.5 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.7 | -31.7 | 171.9 | -70.5 | 168.8 | 0 | 0 | 0 | 112.8 | H1335 A1336 S1343 | H1335-L1339 WeakPolarHBondContact O-CG 3.4Å; H1335-L1339 PolarHBondContact O-N 2.91Å; H1335-L1339 VanDerWaalsContact O-N 3.11Å; A1336-L1339 PolarHBondContact O-N 3.5Å; L1339-S1343 VanDerWaalsContact O-CB 3.3Å; L1339-S1343 WeakPolarHBondContact O-CB 3.33Å; L1339-S1343 PolarHBondContact O-N 2.82Å; L1339-S1343 PolarHBondContact O-OG 3.12Å |
| 1340 | L | 60.7 | Low | 63.8 | Low | 119 Ų | 119 | 98.5 Ų | 98.5 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.8 | -24.6 | 174 | -74.4 | 169.4 | 0 | 0 | 0 | 114 | A1336 E1337 N1338 | A1336-L1340 WeakPolarHBondContact O-CG 3.42Å; A1336-L1340 PolarHBondContact O-N 2.87Å; E1337-L1340 PolarHBondContact O-N 2.99Å; N1338-L1340 PolarHBondContact O-N 2.85Å |
| 1341 | K | 64 | Low | 62.2 | Low | 113 Ų | 113 | 103.4 Ų | 103.4 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -78.8 | -46.7 | 172.5 | -66.6 | 158.6 | -157.9 | 159.1 | 0 | 110.4 | E1337 N1338 S1343 I1344 | E1337-K1341 WeakPolarHBondContact O-CD 3.36Å; E1337-K1341 WeakPolarHBondContact O-CE 3.37Å; E1337-K1341 VanDerWaalsContact O-CG 3.31Å; E1337-K1341 WeakPolarHBondContact O-CG 3.49Å; E1337-K1341 PolarHBondContact O-N 2.66Å; E1337-K1341 VanDerWaalsContact O-N 3.16Å; E1337-K1341 IonicContact OE2-NZ 2.83Å; N1338-K1341 WeakPolarHBondContact O-CB 3.43Å; N1338-K1341 PolarHBondContact O-N 2.9Å; N1338-K1341 PolarHBondContact OD1-NZ 2.87Å; K1341-S1343 PolarHBondContact O-N 2.71Å; K1341-I1344 PolarHBondContact O-N 3.42Å |
| 1342 | D | 59.3 | Low | 60.5 | Low | 134 Ų | 134 | 107.5 Ų | 107.5 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.1 | -19.4 | -176.9 | -59.8 | -25.5 | 0 | 0 | 0 | 113.3 | N1338 | N1338-D1342 VanDerWaalsContact O-CG 3.31Å; N1338-D1342 PolarHBondContact O-N 2.58Å |
| 1343 | S | 54.3 | Low | 58.7 | Low | 79 Ų | 79 | 108.3 Ų | 108.3 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 4.5 | 177.9 | 54 | 0 | 0 | 0 | 0 | 114.9 | L1339 K1341 P1345 | L1339-S1343 VanDerWaalsContact O-CB 3.3Å; L1339-S1343 WeakPolarHBondContact O-CB 3.33Å; L1339-S1343 PolarHBondContact O-N 2.82Å; L1339-S1343 PolarHBondContact O-OG 3.12Å; K1341-S1343 PolarHBondContact O-N 2.71Å; S1343-P1345 WeakPolarHBondContact O-CD 3.12Å |
| 1344 | I | 46.6 | Very low | 56.9 | Low | 124 Ų | 124 | 109.7 Ų | 109.7 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -88.3 | 114.5 | 171.2 | -60.8 | 171.9 | 0 | 0 | 0 | 108.6 | K1341 M1346 | K1341-I1344 PolarHBondContact O-N 3.42Å; I1344-M1346 PolarHBondContact O-N 2.89Å |
| 1345 | P | 43.8 | Very low | 55.1 | Low | 97 Ų | 97 | 113.8 Ų | 113.8 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | trans | -68.7 | 125.4 | 179.8 | -18.2 | 32.4 | 0 | 0 | 0 | 111.4 | S1343 T1347 | S1343-P1345 WeakPolarHBondContact O-CD 3.12Å; P1345-T1347 PolarHBondContact O-N 3.25Å; P1345-T1347 PolarHBondContact O-OG1 3.41Å | ||
| 1346 | M | 41.4 | Very low | 53.4 | Low | 193 Ų | 193 | 115.9 Ų | 115.9 | 95% | 0.951 | 66% | 0.655 | S | S | * | * | trans | -56.1 | 95.8 | 171.5 | -81.8 | -72.3 | -157.3 | 0 | 0 | 110.7 | I1344 | I1344-M1346 PolarHBondContact O-N 2.89Š| ||
| 1347 | T | 39.8 | Very low | 52 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 66% | 0.656 | 67% | 0.672 | S | S | * | * | trans | -146.6 | 131.5 | -179.9 | 43.9 | 0 | 0 | 0 | 0 | 108.5 | P1345 | P1345-T1347 PolarHBondContact O-N 3.25Å; P1345-T1347 PolarHBondContact O-OG1 3.41Å | ||
| 1348 | S | 38.9 | Very low | 50.3 | Low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | trans | 62.7 | 138.7 | -157.1 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1349 | Q | 36.7 | Very low | 48.6 | Very low | 171 Ų | 171 | 127 Ų | 127 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | cis | -152.6 | 134.5 | -9.7 | -104.5 | 157.7 | -9.9 | 0 | 0 | 104 | ||||
| 1350 | S | 31.8 | Very low | 47 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 100% | 1.259 | 73% | 0.732 | S | S | * | * | 48.9 | 0 | 74.2 | 83.2 | 0 | 0 | 0 | 0 | 114 |
Retrieved 1,350 of 1,350 residues in 304.7 ms
(Link to these results)