| 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 | 46.4 | Very low | 48.7 | Very low | 234 Ų | 234 | 159.7 Ų | 159.7 | 100% | 1.153 | 86% | 0.862 | S | S | * | * | 0 | 101.5 | 0 | -51.5 | 173.9 | -174.4 | 0 | 0 | 103.3 | |||||
| 2 | E | 46.4 | Very low | 47.9 | Very low | 191 Ų | 191 | 158 Ų | 158 | 89% | 0.893 | 85% | 0.852 | S | S | * | * | cis | -141.9 | 129.8 | 33.5 | -68.8 | 139.2 | 126.5 | 0 | 0 | 109.2 | ||||
| 3 | S | 53.6 | Low | 48 | Very low | 119 Ų | 119 | 155.8 Ų | 155.8 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | trans | -93.4 | 117.3 | -179.6 | -59.3 | 0 | 0 | 0 | 0 | 109.8 | S5 | S3-S5 PolarHBondContact O-N 3.45Š| ||
| 4 | T | 45.4 | Very low | 47.3 | Very low | 147 Ų | 147 | 157.9 Ų | 157.9 | 90% | 0.902 | 85% | 0.852 | S | S | * | * | trans | -58.4 | 119.7 | 166.2 | 45.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | S | 53.6 | Low | 47.1 | Very low | 116 Ų | 116 | 162.7 Ų | 162.7 | 81% | 0.811 | 85% | 0.853 | S | S | * | * | trans | -121.7 | 120 | 166.9 | 47.9 | 0 | 0 | 0 | 0 | 110.6 | S3 | S3-S5 PolarHBondContact O-N 3.45Š| ||
| 6 | N | 49.1 | Very low | 47.6 | Very low | 163 Ų | 163 | 160 Ų | 160 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | trans | -60.5 | 138.6 | -177.3 | -102.6 | -45.8 | 0 | 0 | 0 | 112.7 | ||||
| 7 | V | 48.5 | Very low | 47 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 75% | 0.752 | 84% | 0.842 | S | S | * | * | trans | -56 | 128.8 | 167.4 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | T | 48.5 | Very low | 46.6 | Very low | 129 Ų | 129 | 151.4 Ų | 151.4 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | trans | -115 | 112.4 | 157.5 | -51 | 0 | 0 | 0 | 0 | 106.9 | Q10 | T8-Q10 PolarHBondContact O-N 3.02Š| ||
| 9 | P | 46.5 | Very low | 46.3 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 69% | 0.688 | 82% | 0.823 | S | S | * | * | trans | -69.7 | 126.6 | 176.9 | 5.9 | 6 | 0 | 0 | 0 | 108.8 | R11 | P9-R11 PolarHBondContact O-N 2.78Š| ||
| 10 | Q | 49.2 | Very low | 46.4 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -56.4 | 131.9 | 168.7 | -87.5 | 174.4 | -104.4 | 0 | 0 | 109.4 | T8 D12 | T8-Q10 PolarHBondContact O-N 3.02Å; Q10-D12 PolarHBondContact O-N 2.96Å; Q10-D12 VanDerWaalsContact O-N 3.17Å | ||
| 11 | R | 48.7 | Very low | 46.6 | Very low | 241 Ų | 241 | 144.6 Ų | 144.6 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -54.2 | 113.1 | 177.7 | -68.1 | 173.5 | 174.1 | -179.6 | -2.3 | 111 | P9 | P9-R11 PolarHBondContact O-N 2.78Š| ||
| 12 | D | 39.5 | Very low | 47.1 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -57.3 | 130.6 | 159.6 | -72.8 | -60.5 | 0 | 0 | 0 | 110.3 | Q10 E14 | Q10-D12 PolarHBondContact O-N 2.96Å; Q10-D12 VanDerWaalsContact O-N 3.17Å; D12-E14 PolarHBondContact O-N 3.34Å; D12-E14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | P | 48.4 | Very low | 48.3 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -85.3 | 61 | 168 | 36.6 | -31.3 | 0 | 0 | 0 | 109.4 | ||||
| 14 | E | 39.1 | Very low | 49.7 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -108.6 | 87.2 | 164.5 | -78.6 | -161.6 | 126 | 0 | 0 | 109.1 | D12 | D12-E14 PolarHBondContact O-N 3.34Å; D12-E14 VanDerWaalsContact O-N 3.14Å | ||
| 15 | R | 44.2 | Very low | 51.6 | Low | 231 Ų | 231 | 125.8 Ų | 125.8 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | trans | -133.1 | 90.8 | 161.6 | -160.2 | 170 | -165.7 | 128.7 | 1 | 110.3 | ||||
| 16 | T | 54.9 | Low | 53.3 | Low | 119 Ų | 119 | 122.6 Ų | 122.6 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | trans | 80.5 | 89.7 | 146 | -36.9 | 0 | 0 | 0 | 0 | 116.8 | G18 | T16-G18 PolarHBondContact O-N 3.32Š| ||
| 17 | A | 36.4 | Very low | 55.1 | Low | 96 Ų | 96 | 115.1 Ų | 115.1 | 79% | 0.793 | 67% | 0.669 | S | S | * | * | trans | 5.9 | 99.7 | 130.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 18 | G | 41.3 | Very low | 57.1 | Low | 69 Ų | 69 | 112 Ų | 112 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | trans | -93.1 | 89 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | T16 D20 | T16-G18 PolarHBondContact O-N 3.32Å; G18-D20 PolarHBondContact O-N 3.11Å | ||
| 19 | G | 40.1 | Very low | 59 | Low | 59 Ų | 59 | 108.3 Ų | 108.3 | 61% | 0.608 | 63% | 0.628 | S | S | * | * | trans | -55.8 | 128 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | G21 | G19-G21 PolarHBondContact O-N 2.74Š| ||
| 20 | D | 48.3 | Very low | 60.9 | Low | 181 Ų | 181 | 106.4 Ų | 106.4 | 97% | 0.968 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 45.3 | 174.3 | -68 | -51.5 | 0 | 0 | 0 | 112.6 | G18 | G18-D20 PolarHBondContact O-N 3.11Š|
| 21 | G | 50.4 | Low | 62.4 | Low | 72 Ų | 72 | 99 Ų | 99 | 74% | 0.742 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.1 | 13 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G19 | G19-G21 PolarHBondContact O-N 2.74Š|
| 22 | A | 57.4 | Low | 64.2 | Low | 64 Ų | 64 | 91.5 Ų | 91.5 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | trans | -80.4 | 120.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | F24 | A22-F24 WeakPolarHBondContact O-CD1 3.39Å; A22-F24 PolarHBondContact O-N 2.98Å | ||
| 23 | D | 72.3 | Confident | 66.6 | Low | 134 Ų | 134 | 85.2 Ų | 85.2 | 72% | 0.717 | 54% | 0.538 | S | S | * | . | trans | -57.9 | 95.2 | 170.9 | -87.6 | -27.2 | 0 | 0 | 0 | 110.4 | ||||
| 24 | F | 82.4 | Confident | 68.6 | Low | 81 Ų | 81 | 87.3 Ų | 87.3 | 36% | 0.355 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 149.9 | 173.6 | 65.1 | -93.7 | 0 | 0 | 0 | 111.1 | A22 D58 R60 L69 | A22-F24 WeakPolarHBondContact O-CD1 3.39Å; A22-F24 PolarHBondContact O-N 2.98Å; F24-D58 CarbonylContact C-O 3.59Å; F24-D58 WeakPolarHBondContact CA-O 3.26Å; F24-D58 HydrophobicContact CB-CB 4.28Å; F24-R60 HydrophobicContact CB-CG 4.26Å; F24-R60 HydrophobicContact CD2-CB 3.98Å; F24-R60 HydrophobicContact CD2-CG 3.89Å; F24-R60 HydrophobicContact CE2-CB 4.43Å; F24-R60 HydrophobicContact CE2-CG 4.49Å; F24-R60 HydrophobicContact CG-CG 4.08Å; F24-L69 HydrophobicContact CE2-CD1 4.46Å; F24-L69 HydrophobicContact CE2-CD2 4.43Å |
| 25 | V | 85.3 | Confident | 70.9 | Confident | 16 Ų | 16 | 79 Ų | 79 | 10% | 0.097 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.1 | 170.6 | 172.6 | 0 | 0 | 0 | 0 | 108.9 | P36 M52 K57 D58 V59 R60 | V25-P36 HydrophobicContact CB-CG 4.3Å; V25-P36 HydrophobicContact CG1-CG 3.6Å; V25-P36 HydrophobicContact CG2-CG 3.67Å; V25-M52 HydrophobicContact CB-CE 3.86Å; V25-M52 HydrophobicContact CG1-CE 4.18Å; V25-M52 HydrophobicContact CG2-CE 3.53Å; V25-K57 HydrophobicContact CG2-CB 4.16Å; V25-K57 HydrophobicContact CG2-CD 3.57Å; V25-D58 PolarHBondContact N-O 3.33Å; V25-V59 WeakPolarHBondContact O-CA 3.27Å; V25-R60 PolarHBondContact O-N 3.28Å |
| 26 | A | 88.8 | Confident | 72.8 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | R60 L62 L69 | A26-R60 CarbonylContact C-O 3.46Å; A26-R60 VanDerWaalsContact CA-O 3.31Å; A26-R60 WeakPolarHBondContact CA-O 3.45Å; A26-L62 HydrophobicContact CB-CD1 3.62Å; A26-L62 HydrophobicContact CB-CG 4.07Å; A26-L69 HydrophobicContact CB-CD2 4.19Å |
| 27 | A | 88 | Confident | 74.3 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 5% | 0.05 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F33 F48 V59 R60 F61 L62 | A27-F33 HydrophobicContact CB-CD1 4.01Å; A27-F48 HydrophobicContact CB-CD1 4.44Å; A27-F48 HydrophobicContact CB-CE1 3.53Å; A27-F48 HydrophobicContact CB-CZ 3.99Å; A27-V59 HydrophobicContact CB-CG1 4.19Å; A27-R60 PolarHBondContact N-O 2.91Å; A27-F61 HydrophobicContact CB-CD1 4.5Å; A27-F61 CarbonylContact O-C 3.55Å; A27-F61 VanDerWaalsContact O-CA 3.29Å; A27-F61 WeakPolarHBondContact O-CA 3.31Å; A27-L62 PolarHBondContact O-N 2.9Å |
| 28 | A | 89.7 | Confident | 76.8 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 49% | 0.488 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 137.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F33 | A28-F33 VanDerWaalsContact O-CE1 3.27Å; A28-F33 WeakPolarHBondContact O-CE1 3.48Å |
| 29 | Y | 88.5 | Confident | 78.9 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 20% | 0.2 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.5 | 175.2 | -179.5 | -84.8 | 0 | 0 | 0 | 110 | F33 L62 G64 I73 V76 A77 Y80 | Y29-F33 HydrophobicContact CD2-CE1 4.46Å; Y29-F33 HydrophobicContact CD2-CZ 4.12Å; Y29-L62 PolarHBondContact N-O 3.36Å; Y29-G64 PolarHBondContact O-N 3.15Å; Y29-I73 HydrophobicContact CD2-CD1 4.22Å; Y29-I73 HydrophobicContact CD2-CG1 4.31Å; Y29-I73 HydrophobicContact CE2-CD1 3.94Å; Y29-I73 HydrophobicContact CE2-CG1 4.08Å; Y29-V76 HydrophobicContact CD1-CG1 4.11Å; Y29-V76 HydrophobicContact CD1-CG2 4.04Å; Y29-V76 HydrophobicContact CD2-CG1 3.8Å; Y29-V76 HydrophobicContact CE2-CG1 4.39Å; Y29-V76 HydrophobicContact CG-CB 4.5Å; Y29-V76 HydrophobicContact CG-CG1 3.65Å; Y29-V76 HydrophobicContact CG-CG2 4.04Å; Y29-A77 HydrophobicContact CE1-CB 4.29Å; Y29-A77 HydrophobicContact CE2-CB 4.33Å; Y29-A77 WeakPolarHBondContact OH-CB 3.47Å; Y29-Y80 HydrophobicContact CD1-CD1 4.42Å; Y29-Y80 HydrophobicContact CD1-CD2 4.01Å; Y29-Y80 AromaticContact CD1-CG 3.83Å; Y29-Y80 HydrophobicContact CD1-CG 3.83Å; Y29-Y80 AromaticContact CE1-CD1 3.94Å; Y29-Y80 HydrophobicContact CE1-CD1 3.94Å; Y29-Y80 HydrophobicContact CE1-CD2 4.34Å; Y29-Y80 AromaticContact CE1-CG 3.72Å; Y29-Y80 HydrophobicContact CE1-CG 3.72Å |
| 30 | P | 86.6 | Confident | 81.2 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | S | Bend | cis | -73.5 | 159.3 | -1 | 29.7 | -35.4 | 0 | 0 | 0 | 112.7 | Y80 | P30-Y80 WeakPolarHBondContact CD-OH 3.31Å; P30-Y80 HydrophobicContact CG-CE1 4.29Å; P30-Y80 HydrophobicContact CG-CE2 4.38Å |
| 31 | G | 81.1 | Confident | 83.1 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -58.6 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 32 | P | 85.3 | Confident | 84.9 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | cis | -83.1 | 138.7 | 28.3 | 29.5 | -35.6 | 0 | 0 | 0 | 114.9 | I41 | P32-I41 HydrophobicContact CB-CG2 3.73Š|
| 33 | F | 90.2 | Very high | 86.4 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 114.4 | 177.9 | -51.4 | -75.9 | 0 | 0 | 0 | 109.9 | A27 A28 Y29 V42 A45 F48 F61 | A27-F33 HydrophobicContact CB-CD1 4.01Å; A28-F33 VanDerWaalsContact O-CE1 3.27Å; A28-F33 WeakPolarHBondContact O-CE1 3.48Å; Y29-F33 HydrophobicContact CD2-CE1 4.46Å; Y29-F33 HydrophobicContact CD2-CZ 4.12Å; F33-V42 WeakPolarHBondContact CB-O 3.4Å; F33-V42 WeakPolarHBondContact CD2-O 3.36Å; F33-V42 PolarHBondContact N-O 3.41Å; F33-V42 PolarHBondContact O-N 2.95Å; F33-A45 HydrophobicContact CD2-CB 4.14Å; F33-A45 HydrophobicContact CE1-CB 4.5Å; F33-A45 VanDerWaalsContact CE2-CA 3.46Å; F33-A45 HydrophobicContact CE2-CB 3.43Å; F33-A45 VanDerWaalsContact CE2-CB 3.43Å; F33-A45 HydrophobicContact CZ-CB 3.63Å; F33-F48 HydrophobicContact CB-CB 3.85Å; F33-F48 HydrophobicContact CB-CD1 3.68Å; F33-F48 HydrophobicContact CB-CD2 3.43Å; F33-F48 VanDerWaalsContact CB-CD2 3.43Å; F33-F48 HydrophobicContact CB-CE1 4.03Å; F33-F48 HydrophobicContact CB-CE2 3.82Å; F33-F48 HydrophobicContact CB-CG 3.35Å; F33-F48 HydrophobicContact CB-CZ 4.1Å; F33-F48 HydrophobicContact CD1-CD1 4.27Å; F33-F48 HydrophobicContact CD2-CB 4.18Å; F33-F48 HydrophobicContact CD2-CG 4.49Å; F33-F48 HydrophobicContact CG-CB 4.13Å; F33-F48 AromaticContact CG-CD1 3.99Å; F33-F48 HydrophobicContact CG-CD1 3.99Å; F33-F48 HydrophobicContact CG-CD2 4.49Å; F33-F48 AromaticContact CG-CG 3.95Å; F33-F48 HydrophobicContact CG-CG 3.95Å; F33-F61 HydrophobicContact CD1-CE1 4.22Å; F33-F61 AromaticContact CE1-CD1 3.93Å; F33-F61 HydrophobicContact CE1-CD1 3.93Å; F33-F61 AromaticContact CE1-CE1 3.79Å; F33-F61 HydrophobicContact CE1-CE1 3.79Å; F33-F61 HydrophobicContact CZ-CE1 4.35Å |
| 34 | R | 89.4 | Confident | 87.3 | Confident | 173 Ų | 173 | 63.9 Ų | 63.9 | 65% | 0.653 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130 | 178.3 | -59.3 | -174.7 | 179.3 | -130.5 | 0.6 | 109.4 | I41 | R34-I41 HydrophobicContact CG-CD1 4.32Å; R34-I41 HydrophobicContact CG-CG1 4.11Å; R34-I41 HydrophobicContact CG-CG2 4.24Å |
| 35 | C | 88.3 | Confident | 87.6 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | trans | -74 | 134.1 | 170.6 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | L37 C38 T40 F48 H51 M52 | C35-L37 VanDerWaalsContact C-N 3.3Å; C35-L37 PolarHBondContact SG-N 3.26Å; C35-C38 VanDerWaalsContact CB-SG 3.57Å; C35-T40 PolarHBondContact N-O 3.31Å; C35-T40 VanDerWaalsContact N-O 3.07Å; C35-F48 HydrophobicContact CB-CE2 4.4Å; C35-H51 VanDerWaalsContact CB-NE2 3.28Å; C35-H51 WeakPolarHBondContact CB-NE2 3.5Å; C35-H51 PolarHBondContact SG-NE2 3.05Å; C35-M52 HydrophobicContact CB-SD 4.2Å | ||
| 36 | P | 84.3 | Confident | 87.8 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -80.2 | -12.3 | 173.4 | 32.2 | -35.8 | 0 | 0 | 0 | 113.2 | V25 | V25-P36 HydrophobicContact CB-CG 4.3Å; V25-P36 HydrophobicContact CG1-CG 3.6Å; V25-P36 HydrophobicContact CG2-CG 3.67Å |
| 37 | L | 85.9 | Confident | 87.9 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -99.2 | -16.9 | -176.8 | -64.5 | 175.6 | 0 | 0 | 0 | 113.6 | C35 H55 K57 | C35-L37 VanDerWaalsContact C-N 3.3Å; C35-L37 PolarHBondContact SG-N 3.26Å; L37-H55 HydrophobicContact CD1-CB 3.39Å; L37-K57 HydrophobicContact CD1-CD 3.7Å; L37-K57 HydrophobicContact CD1-CG 4.15Å; L37-K57 HydrophobicContact CG-CD 4.39Å |
| 38 | C | 88.7 | Confident | 88 | Confident | 43 Ų | 43 | 65 Ų | 65 | 29% | 0.291 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -149.8 | 171.9 | 177.1 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | C35 T40 H51 | C35-C38 VanDerWaalsContact CB-SG 3.57Å; C38-T40 PolarHBondContact O-N 3.21Å; C38-T40 VanDerWaalsContact O-N 3.14Å; C38-T40 VanDerWaalsContact SG-CG2 3.55Å; C38-T40 PolarHBondContact SG-OG1 2.8Å; C38-H51 PolarHBondContact SG-CE1 3.01Å; C38-H51 PolarHBondContact SG-NE2 3.47Å |
| 39 | V | 87.1 | Confident | 88 | Confident | 145 Ų | 145 | 64.1 Ų | 64.1 | 88% | 0.879 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -79.1 | 8.1 | -176.5 | -157.9 | 0 | 0 | 0 | 0 | 112.5 | I41 | V39-I41 PolarHBondContact O-N 2.9Š|
| 40 | T | 86.5 | Confident | 88.1 | Confident | 56 Ų | 56 | 66 Ų | 66 | 34% | 0.344 | 38% | 0.377 | S | S | . | . | trans | -72.5 | 130.9 | -177.1 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | C35 C38 H51 | C35-T40 PolarHBondContact N-O 3.31Å; C35-T40 VanDerWaalsContact N-O 3.07Å; C38-T40 PolarHBondContact O-N 3.21Å; C38-T40 VanDerWaalsContact O-N 3.14Å; C38-T40 VanDerWaalsContact SG-CG2 3.55Å; C38-T40 PolarHBondContact SG-OG1 2.8Å; T40-H51 PolarHBondContact OG1-CD2 3.12Å; T40-H51 PolarHBondContact OG1-CE1 3.32Å; T40-H51 PolarHBondContact OG1-NE2 3.27Å; T40-H51 VanDerWaalsContact OG1-NE2 3.08Å | ||
| 41 | I | 89.3 | Confident | 88.3 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.4 | 173.6 | -53.8 | -177.8 | 0 | 0 | 0 | 106.8 | P32 R34 V39 | P32-I41 HydrophobicContact CB-CG2 3.73Å; R34-I41 HydrophobicContact CG-CD1 4.32Å; R34-I41 HydrophobicContact CG-CG1 4.11Å; R34-I41 HydrophobicContact CG-CG2 4.24Å; V39-I41 PolarHBondContact O-N 2.9Å |
| 42 | V | 88.7 | Confident | 88.7 | Confident | 29 Ų | 29 | 63 Ų | 63 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.6 | -174.1 | -174 | 0 | 0 | 0 | 0 | 108.4 | F33 V44 T47 F48 | F33-V42 WeakPolarHBondContact CB-O 3.4Å; F33-V42 WeakPolarHBondContact CD2-O 3.36Å; F33-V42 PolarHBondContact N-O 3.41Å; F33-V42 PolarHBondContact O-N 2.95Å; V42-V44 WeakPolarHBondContact CG1-O 3.5Å; V42-T47 WeakPolarHBondContact CG1-OG1 3.48Å; V42-F48 HydrophobicContact CB-CB 4.22Å; V42-F48 HydrophobicContact CG1-CB 4.32Å |
| 43 | S | 88.9 | Confident | 88.9 | Confident | 98 Ų | 98 | 66.3 Ų | 66.3 | 69% | 0.685 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -81.7 | -31.1 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 44 | V | 90.4 | Very high | 88.9 | Confident | 79 Ų | 79 | 70.3 Ų | 70.3 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -92.8 | 125.4 | -179.7 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | V42 H46 T47 F48 | V42-V44 WeakPolarHBondContact CG1-O 3.5Å; V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 HydrophobicContact CG1-CB 4.26Å; V44-H46 PolarHBondContact O-N 2.97Å; V44-T47 WeakPolarHBondContact CB-OG1 3.45Å; V44-T47 PolarHBondContact O-N 2.73Å; V44-T47 PolarHBondContact O-OG1 3.26Å; V44-F48 PolarHBondContact O-N 3.46Å; V44-F48 VanDerWaalsContact O-N 3.09Å |
| 45 | A | 88 | Confident | 88.8 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.3 | -29.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F33 F48 L49 F61 I73 | F33-A45 HydrophobicContact CD2-CB 4.14Å; F33-A45 HydrophobicContact CE1-CB 4.5Å; F33-A45 VanDerWaalsContact CE2-CA 3.46Å; F33-A45 HydrophobicContact CE2-CB 3.43Å; F33-A45 VanDerWaalsContact CE2-CB 3.43Å; F33-A45 HydrophobicContact CZ-CB 3.63Å; A45-F48 WeakPolarHBondContact O-CB 3.45Å; A45-F48 PolarHBondContact O-N 3.43Å; A45-L49 WeakPolarHBondContact O-CG 3.18Å; A45-L49 PolarHBondContact O-N 3.29Å; A45-F61 HydrophobicContact CB-CE1 4.42Å; A45-I73 HydrophobicContact CB-CD1 2.91Å; A45-I73 HydrophobicContact CB-CG1 4.25Å |
| 46 | H | 89.4 | Confident | 88.8 | Confident | 111 Ų | 111 | 68.2 Ų | 68.2 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 176.9 | -177.5 | -88 | 0 | 0 | 0 | 110.6 | V44 F48 L49 E50 | V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 HydrophobicContact CG1-CB 4.26Å; V44-H46 PolarHBondContact O-N 2.97Å; H46-F48 VanDerWaalsContact C-N 3.26Å; H46-F48 PolarHBondContact O-N 2.99Å; H46-L49 WeakPolarHBondContact O-CB 3.49Å; H46-L49 PolarHBondContact O-N 3Å; H46-L49 VanDerWaalsContact O-N 3.13Å; H46-E50 IonicContact CE1-OE1 3.35Å; H46-E50 PolarHBondContact CE1-OE1 3.44Å; H46-E50 IonicContact CE1-OE2 3.93Å; H46-E50 IonicContact ND1-OE1 3.79Å; H46-E50 IonicContact ND1-OE2 4Å; H46-E50 PolarHBondContact ND1-OE2 3.29Å; H46-E50 WeakPolarHBondContact O-CG 3.15Å; H46-E50 PolarHBondContact O-N 3.03Å |
| 47 | T | 91.1 | Very high | 88.8 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 36% | 0.356 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -31.3 | 175.6 | 44.7 | 0 | 0 | 0 | 0 | 111.8 | V42 V44 E50 H51 | V42-T47 WeakPolarHBondContact CG1-OG1 3.48Å; V44-T47 WeakPolarHBondContact CB-OG1 3.45Å; V44-T47 PolarHBondContact O-N 2.73Å; V44-T47 PolarHBondContact O-OG1 3.26Å; T47-E50 PolarHBondContact O-N 3.45Å; T47-H51 VanDerWaalsContact O-CB 3.28Å; T47-H51 WeakPolarHBondContact O-CB 3.38Å; T47-H51 PolarHBondContact O-N 3.11Å |
| 48 | F | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 171.5 | -178.8 | -108.6 | 0 | 0 | 0 | 112.3 | A27 F33 C35 V42 V44 A45 H46 E50 H51 M52 V59 | A27-F48 HydrophobicContact CB-CD1 4.44Å; A27-F48 HydrophobicContact CB-CE1 3.53Å; A27-F48 HydrophobicContact CB-CZ 3.99Å; F33-F48 HydrophobicContact CB-CB 3.85Å; F33-F48 HydrophobicContact CB-CD1 3.68Å; F33-F48 HydrophobicContact CB-CD2 3.43Å; F33-F48 VanDerWaalsContact CB-CD2 3.43Å; F33-F48 HydrophobicContact CB-CE1 4.03Å; F33-F48 HydrophobicContact CB-CE2 3.82Å; F33-F48 HydrophobicContact CB-CG 3.35Å; F33-F48 HydrophobicContact CB-CZ 4.1Å; F33-F48 HydrophobicContact CD1-CD1 4.27Å; F33-F48 HydrophobicContact CD2-CB 4.18Å; F33-F48 HydrophobicContact CD2-CG 4.49Å; F33-F48 HydrophobicContact CG-CB 4.13Å; F33-F48 AromaticContact CG-CD1 3.99Å; F33-F48 HydrophobicContact CG-CD1 3.99Å; F33-F48 HydrophobicContact CG-CD2 4.49Å; F33-F48 AromaticContact CG-CG 3.95Å; F33-F48 HydrophobicContact CG-CG 3.95Å; C35-F48 HydrophobicContact CB-CE2 4.4Å; V42-F48 HydrophobicContact CB-CB 4.22Å; V42-F48 HydrophobicContact CG1-CB 4.32Å; V44-F48 PolarHBondContact O-N 3.46Å; V44-F48 VanDerWaalsContact O-N 3.09Å; A45-F48 WeakPolarHBondContact O-CB 3.45Å; A45-F48 PolarHBondContact O-N 3.43Å; H46-F48 VanDerWaalsContact C-N 3.26Å; H46-F48 PolarHBondContact O-N 2.99Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 3.46Å; F48-H51 WeakPolarHBondContact O-CB 3.47Å; F48-H51 PolarHBondContact O-N 3.09Å; F48-M52 HydrophobicContact CD1-CG 4.19Å; F48-M52 HydrophobicContact CD2-CG 4.21Å; F48-M52 HydrophobicContact CE1-CG 3.77Å; F48-M52 HydrophobicContact CE2-CG 3.79Å; F48-M52 HydrophobicContact CE2-SD 3.87Å; F48-M52 HydrophobicContact CG-CG 4.4Å; F48-M52 HydrophobicContact CZ-CG 3.55Å; F48-M52 HydrophobicContact CZ-SD 3.81Å; F48-M52 VanDerWaalsContact O-CG 3.3Å; F48-M52 WeakPolarHBondContact O-CG 3.43Å; F48-M52 PolarHBondContact O-N 3.32Å; F48-V59 HydrophobicContact CD1-CG1 4.27Å; F48-V59 HydrophobicContact CE1-CG1 3.7Å; F48-V59 HydrophobicContact CE1-CG2 4.19Å |
| 49 | L | 89.7 | Confident | 88.8 | Confident | 42 Ų | 42 | 66 Ų | 66 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 175.4 | -72.8 | 172.5 | 0 | 0 | 0 | 112.3 | A45 H46 R53 V59 F61 | A45-L49 WeakPolarHBondContact O-CG 3.18Å; A45-L49 PolarHBondContact O-N 3.29Å; H46-L49 WeakPolarHBondContact O-CB 3.49Å; H46-L49 PolarHBondContact O-N 3Å; H46-L49 VanDerWaalsContact O-N 3.13Å; L49-R53 WeakPolarHBondContact O-CB 3.42Å; L49-R53 WeakPolarHBondContact O-CG 3.46Å; L49-R53 PolarHBondContact O-N 3.38Å; L49-R53 PolarHBondContact O-NE 2.98Å; L49-V59 HydrophobicContact CD2-CB 3.71Å; L49-V59 HydrophobicContact CD2-CG1 4.07Å; L49-V59 HydrophobicContact CD2-CG2 4.11Å; L49-F61 HydrophobicContact CD1-CE2 4.31Å; L49-F61 HydrophobicContact CD1-CZ 4.09Å; L49-F61 HydrophobicContact CD2-CE2 3.91Å; L49-F61 HydrophobicContact CD2-CZ 3.72Å; L49-F61 HydrophobicContact CG-CE2 4.4Å; L49-F61 HydrophobicContact CG-CZ 3.91Å |
| 50 | E | 90.3 | Very high | 89 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 172.8 | -70.4 | 177 | 143.7 | 0 | 0 | 111.5 | H46 T47 F48 R53 S54 | H46-E50 IonicContact CE1-OE1 3.35Å; H46-E50 PolarHBondContact CE1-OE1 3.44Å; H46-E50 IonicContact CE1-OE2 3.93Å; H46-E50 IonicContact ND1-OE1 3.79Å; H46-E50 IonicContact ND1-OE2 4Å; H46-E50 PolarHBondContact ND1-OE2 3.29Å; H46-E50 WeakPolarHBondContact O-CG 3.15Å; H46-E50 PolarHBondContact O-N 3.03Å; T47-E50 PolarHBondContact O-N 3.45Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 3.46Å; E50-R53 VanDerWaalsContact CG-NH2 3.31Å; E50-R53 WeakPolarHBondContact O-CB 3.33Å; E50-R53 PolarHBondContact O-N 2.91Å; E50-S54 PolarHBondContact O-N 3.29Å |
| 51 | H | 90.8 | Very high | 89.2 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 175.3 | 172.8 | 63.6 | 0 | 0 | 0 | 111.9 | C35 C38 T40 T47 F48 R53 S54 H55 | C35-H51 VanDerWaalsContact CB-NE2 3.28Å; C35-H51 WeakPolarHBondContact CB-NE2 3.5Å; C35-H51 PolarHBondContact SG-NE2 3.05Å; C38-H51 PolarHBondContact SG-CE1 3.01Å; C38-H51 PolarHBondContact SG-NE2 3.47Å; T40-H51 PolarHBondContact OG1-CD2 3.12Å; T40-H51 PolarHBondContact OG1-CE1 3.32Å; T40-H51 PolarHBondContact OG1-NE2 3.27Å; T40-H51 VanDerWaalsContact OG1-NE2 3.08Å; T47-H51 VanDerWaalsContact O-CB 3.28Å; T47-H51 WeakPolarHBondContact O-CB 3.38Å; T47-H51 PolarHBondContact O-N 3.11Å; F48-H51 WeakPolarHBondContact O-CB 3.47Å; F48-H51 PolarHBondContact O-N 3.09Å; H51-R53 VanDerWaalsContact C-N 3.29Å; H51-R53 PolarHBondContact O-N 3.21Å; H51-S54 WeakPolarHBondContact O-CB 3.29Å; H51-S54 PolarHBondContact O-N 3.1Å; H51-S54 PolarHBondContact O-OG 2.86Å; H51-H55 AromaticContact CE1-CD2 3.66Å; H51-H55 AromaticContact CE1-NE2 3.24Å; H51-H55 PolarHBondContact CE1-NE2 3.5Å; H51-H55 AromaticContact NE2-CD2 3.47Å; H51-H55 PolarHBondContact NE2-CD2 3.02Å; H51-H55 AromaticContact NE2-NE2 3.29Å; H51-H55 PolarHBondContact NE2-NE2 3.32Å |
| 52 | M | 89.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.2 | -29.1 | 179.5 | -67.5 | -56.5 | -51.5 | 0 | 0 | 112.9 | V25 C35 F48 S54 H55 G56 K57 V59 | V25-M52 HydrophobicContact CB-CE 3.86Å; V25-M52 HydrophobicContact CG1-CE 4.18Å; V25-M52 HydrophobicContact CG2-CE 3.53Å; C35-M52 HydrophobicContact CB-SD 4.2Å; F48-M52 HydrophobicContact CD1-CG 4.19Å; F48-M52 HydrophobicContact CD2-CG 4.21Å; F48-M52 HydrophobicContact CE1-CG 3.77Å; F48-M52 HydrophobicContact CE2-CG 3.79Å; F48-M52 HydrophobicContact CE2-SD 3.87Å; F48-M52 HydrophobicContact CG-CG 4.4Å; F48-M52 HydrophobicContact CZ-CG 3.55Å; F48-M52 HydrophobicContact CZ-SD 3.81Å; F48-M52 VanDerWaalsContact O-CG 3.3Å; F48-M52 WeakPolarHBondContact O-CG 3.43Å; F48-M52 PolarHBondContact O-N 3.32Å; M52-S54 VanDerWaalsContact C-N 3.28Å; M52-S54 PolarHBondContact O-N 3.24Å; M52-H55 WeakPolarHBondContact O-CB 3.28Å; M52-H55 PolarHBondContact O-N 3.39Å; M52-H55 VanDerWaalsContact O-N 3.09Å; M52-G56 PolarHBondContact O-N 3.09Å; M52-K57 HydrophobicContact CE-CB 3.88Å; M52-K57 HydrophobicContact CE-CD 4.48Å; M52-K57 PolarHBondContact O-N 3.18Å; M52-V59 HydrophobicContact CB-CG2 3.29Å; M52-V59 HydrophobicContact CE-CG2 4.47Å; M52-V59 HydrophobicContact CG-CG2 3.42Å; M52-V59 VanDerWaalsContact CG-CG2 3.42Å |
| 53 | R | 89.8 | Confident | 89.4 | Confident | 152 Ų | 152 | 57.4 Ų | 57.4 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.3 | -34.2 | 168.9 | -87.4 | 178.2 | -91 | 143.5 | -9 | 112.7 | L49 E50 H51 H55 G56 | L49-R53 WeakPolarHBondContact O-CB 3.42Å; L49-R53 WeakPolarHBondContact O-CG 3.46Å; L49-R53 PolarHBondContact O-N 3.38Å; L49-R53 PolarHBondContact O-NE 2.98Å; E50-R53 VanDerWaalsContact CG-NH2 3.31Å; E50-R53 WeakPolarHBondContact O-CB 3.33Å; E50-R53 PolarHBondContact O-N 2.91Å; H51-R53 VanDerWaalsContact C-N 3.29Å; H51-R53 PolarHBondContact O-N 3.21Å; R53-H55 PolarHBondContact O-N 2.85Å; R53-G56 PolarHBondContact O-N 3.32Å |
| 54 | S | 89.1 | Confident | 89.3 | Confident | 90 Ų | 90 | 55.2 Ų | 55.2 | 63% | 0.629 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64 | -23.9 | 174.7 | 78.6 | 0 | 0 | 0 | 0 | 113.1 | E50 H51 M52 | E50-S54 PolarHBondContact O-N 3.29Å; H51-S54 WeakPolarHBondContact O-CB 3.29Å; H51-S54 PolarHBondContact O-N 3.1Å; H51-S54 PolarHBondContact O-OG 2.86Å; M52-S54 VanDerWaalsContact C-N 3.28Å; M52-S54 PolarHBondContact O-N 3.24Å |
| 55 | H | 88.3 | Confident | 89.2 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.2 | 174.4 | -70.8 | -59.6 | 0 | 0 | 0 | 113.8 | L37 H51 M52 R53 K57 | L37-H55 HydrophobicContact CD1-CB 3.39Å; H51-H55 AromaticContact CE1-CD2 3.66Å; H51-H55 AromaticContact CE1-NE2 3.24Å; H51-H55 PolarHBondContact CE1-NE2 3.5Å; H51-H55 AromaticContact NE2-CD2 3.47Å; H51-H55 PolarHBondContact NE2-CD2 3.02Å; H51-H55 AromaticContact NE2-NE2 3.29Å; H51-H55 PolarHBondContact NE2-NE2 3.32Å; M52-H55 WeakPolarHBondContact O-CB 3.28Å; M52-H55 PolarHBondContact O-N 3.39Å; M52-H55 VanDerWaalsContact O-N 3.09Å; R53-H55 PolarHBondContact O-N 2.85Å; H55-K57 PolarHBondContact O-N 3.47Å |
| 56 | G | 87.4 | Confident | 89.2 | Confident | 72 Ų | 72 | 58.6 Ų | 58.6 | 74% | 0.742 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 19 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | M52 R53 | M52-G56 PolarHBondContact O-N 3.09Å; R53-G56 PolarHBondContact O-N 3.32Å |
| 57 | K | 84.8 | Confident | 89.1 | Confident | 65 Ų | 65 | 59 Ų | 59 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | trans | -101.7 | 139.1 | 177.5 | -65.4 | -160.1 | 173 | -176.6 | 0 | 111.3 | V25 L37 M52 H55 | V25-K57 HydrophobicContact CG2-CB 4.16Å; V25-K57 HydrophobicContact CG2-CD 3.57Å; L37-K57 HydrophobicContact CD1-CD 3.7Å; L37-K57 HydrophobicContact CD1-CG 4.15Å; L37-K57 HydrophobicContact CG-CD 4.39Å; M52-K57 HydrophobicContact CE-CB 3.88Å; M52-K57 HydrophobicContact CE-CD 4.48Å; M52-K57 PolarHBondContact O-N 3.18Å; H55-K57 PolarHBondContact O-N 3.47Å | ||
| 58 | D | 86.9 | Confident | 88.9 | Confident | 91 Ų | 91 | 63.9 Ų | 63.9 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 151.7 | 171 | -165.2 | 15.5 | 0 | 0 | 0 | 110.1 | F24 V25 | F24-D58 CarbonylContact C-O 3.59Å; F24-D58 WeakPolarHBondContact CA-O 3.26Å; F24-D58 HydrophobicContact CB-CB 4.28Å; V25-D58 PolarHBondContact N-O 3.33Å |
| 59 | V | 87.9 | Confident | 88.9 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.4 | -176.1 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | V25 A27 F48 L49 M52 F61 | V25-V59 WeakPolarHBondContact O-CA 3.27Å; A27-V59 HydrophobicContact CB-CG1 4.19Å; F48-V59 HydrophobicContact CD1-CG1 4.27Å; F48-V59 HydrophobicContact CE1-CG1 3.7Å; F48-V59 HydrophobicContact CE1-CG2 4.19Å; L49-V59 HydrophobicContact CD2-CB 3.71Å; L49-V59 HydrophobicContact CD2-CG1 4.07Å; L49-V59 HydrophobicContact CD2-CG2 4.11Å; M52-V59 HydrophobicContact CB-CG2 3.29Å; M52-V59 HydrophobicContact CE-CG2 4.47Å; M52-V59 HydrophobicContact CG-CG2 3.42Å; M52-V59 VanDerWaalsContact CG-CG2 3.42Å; V59-F61 HydrophobicContact CG1-CE1 4.29Å; V59-F61 HydrophobicContact CG1-CE2 4.2Å; V59-F61 HydrophobicContact CG1-CZ 4.03Å |
| 60 | R | 91.1 | Very high | 88.9 | Confident | 98 Ų | 98 | 69 Ų | 69 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.4 | 169.2 | -64.1 | -172.5 | 176.6 | 169.1 | -2.8 | 109.7 | F24 V25 A26 A27 L69 W70 | F24-R60 HydrophobicContact CB-CG 4.26Å; F24-R60 HydrophobicContact CD2-CB 3.98Å; F24-R60 HydrophobicContact CD2-CG 3.89Å; F24-R60 HydrophobicContact CE2-CB 4.43Å; F24-R60 HydrophobicContact CE2-CG 4.49Å; F24-R60 HydrophobicContact CG-CG 4.08Å; V25-R60 PolarHBondContact O-N 3.28Å; A26-R60 CarbonylContact C-O 3.46Å; A26-R60 VanDerWaalsContact CA-O 3.31Å; A26-R60 WeakPolarHBondContact CA-O 3.45Å; A27-R60 PolarHBondContact N-O 2.91Å; R60-L69 HydrophobicContact CB-CD2 3.83Å; R60-W70 WeakPolarHBondContact CA-O 3.5Å |
| 61 | F | 90.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.8 | -177.7 | -63.9 | -86.8 | 0 | 0 | 0 | 111.2 | A27 F33 A45 L49 V59 L69 W70 I73 V76 | A27-F61 HydrophobicContact CB-CD1 4.5Å; A27-F61 CarbonylContact O-C 3.55Å; A27-F61 VanDerWaalsContact O-CA 3.29Å; A27-F61 WeakPolarHBondContact O-CA 3.31Å; F33-F61 HydrophobicContact CD1-CE1 4.22Å; F33-F61 AromaticContact CE1-CD1 3.93Å; F33-F61 HydrophobicContact CE1-CD1 3.93Å; F33-F61 AromaticContact CE1-CE1 3.79Å; F33-F61 HydrophobicContact CE1-CE1 3.79Å; F33-F61 HydrophobicContact CZ-CE1 4.35Å; A45-F61 HydrophobicContact CB-CE1 4.42Å; L49-F61 HydrophobicContact CD1-CE2 4.31Å; L49-F61 HydrophobicContact CD1-CZ 4.09Å; L49-F61 HydrophobicContact CD2-CE2 3.91Å; L49-F61 HydrophobicContact CD2-CZ 3.72Å; L49-F61 HydrophobicContact CG-CE2 4.4Å; L49-F61 HydrophobicContact CG-CZ 3.91Å; V59-F61 HydrophobicContact CG1-CE1 4.29Å; V59-F61 HydrophobicContact CG1-CE2 4.2Å; V59-F61 HydrophobicContact CG1-CZ 4.03Å; F61-L69 CarbonylContact O-C 3Å; F61-L69 WeakPolarHBondContact O-CA 3.47Å; F61-W70 PolarHBondContact N-O 3.44Å; F61-W70 PolarHBondContact O-N 3.35Å; F61-I73 HydrophobicContact CD2-CB 4.3Å; F61-I73 HydrophobicContact CE1-CB 4.45Å; F61-I73 HydrophobicContact CE2-CB 3.87Å; F61-I73 HydrophobicContact CZ-CB 3.95Å; F61-V76 HydrophobicContact CB-CB 3.86Å; F61-V76 HydrophobicContact CB-CG1 3.53Å; F61-V76 HydrophobicContact CB-CG2 4.18Å; F61-V76 HydrophobicContact CG-CG1 3.99Å |
| 62 | L | 91.3 | Very high | 88.7 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 23% | 0.225 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 133.4 | 174.4 | -72.5 | 166.8 | 0 | 0 | 0 | 110.1 | A26 A27 Y29 G64 D67 R68 L69 | A26-L62 HydrophobicContact CB-CD1 3.62Å; A26-L62 HydrophobicContact CB-CG 4.07Å; A27-L62 PolarHBondContact O-N 2.9Å; Y29-L62 PolarHBondContact N-O 3.36Å; L62-G64 PolarHBondContact O-N 3.21Å; L62-D67 VanDerWaalsContact CD2-O 3.23Å; L62-D67 WeakPolarHBondContact CD2-O 3.42Å; L62-R68 WeakPolarHBondContact CA-O 3.38Å; L62-L69 HydrophobicContact CD2-CD2 3.32Å; L62-L69 HydrophobicContact CD2-CG 3.5Å; L62-L69 HydrophobicContact CG-CD2 3.68Å; L62-L69 HydrophobicContact CG-CG 4.39Å |
| 63 | C | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 114.9 | 172.1 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | K65 C66 D67 R68 V76 H79 | C63-K65 PolarHBondContact O-N 3.07Å; C63-C66 PolarHBondContact O-N 2.9Å; C63-C66 VanDerWaalsContact O-N 3.1Å; C63-D67 WeakPolarHBondContact O-CA 3.39Å; C63-D67 PolarHBondContact O-N 2.92Å; C63-R68 PolarHBondContact N-O 3.08Å; C63-V76 HydrophobicContact CB-CG2 4.22Å; C63-H79 PolarHBondContact SG-CD2 2.96Å; C63-H79 PolarHBondContact SG-NE2 3.38Å; C63-H79 VanDerWaalsContact SG-NE2 3.44Å |
| 64 | G | 87.5 | Confident | 88.8 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 1.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y29 L62 | Y29-G64 PolarHBondContact O-N 3.15Å; L62-G64 PolarHBondContact O-N 3.21Å |
| 65 | K | 87.3 | Confident | 88.9 | Confident | 109 Ų | 109 | 69.6 Ų | 69.6 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -25.5 | 174.7 | -69.9 | 176.3 | 178.8 | 177.3 | 0 | 114.2 | C63 Y80 C83 | C63-K65 PolarHBondContact O-N 3.07Å; K65-Y80 HydrophobicContact CD-CD2 4.29Å; K65-Y80 HydrophobicContact CD-CE2 4.03Å; K65-Y80 HydrophobicContact CG-CD2 4.38Å; K65-Y80 HydrophobicContact CG-CE2 3.88Å; K65-Y80 PolarHBondContact NZ-O 3.42Å; K65-C83 HydrophobicContact CB-CB 4.29Å; K65-C83 WeakPolarHBondContact CB-SG 3.1Å; K65-C83 HydrophobicContact CD-CB 3.93Å; K65-C83 WeakPolarHBondContact CD-O 3.44Å; K65-C83 PolarHBondContact NZ-O 3.14Å |
| 66 | C | 88.1 | Confident | 89.1 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 32% | 0.324 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.4 | 7 | -175.5 | 72.3 | 0 | 0 | 0 | 0 | 114.5 | C63 R68 H79 C83 | C63-C66 PolarHBondContact O-N 2.9Å; C63-C66 VanDerWaalsContact O-N 3.1Å; C66-R68 PolarHBondContact O-N 3.11Å; C66-H79 PolarHBondContact SG-NE2 3.27Å; C66-C83 PolarHBondContact SG-SG 2.91Å |
| 67 | D | 87 | Confident | 89.3 | Confident | 119 Ų | 119 | 64.2 Ų | 64.2 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | trans | 54.5 | 20 | 176.2 | -53.9 | -41.8 | 0 | 0 | 0 | 115.4 | L62 C63 | L62-D67 VanDerWaalsContact CD2-O 3.23Å; L62-D67 WeakPolarHBondContact CD2-O 3.42Å; C63-D67 WeakPolarHBondContact O-CA 3.39Å; C63-D67 PolarHBondContact O-N 2.92Å | ||
| 68 | R | 87 | Confident | 89.5 | Confident | 161 Ų | 161 | 63.7 Ų | 63.7 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | trans | -72.5 | 136.7 | 172.6 | -72.5 | -178.2 | -174.2 | -154.5 | 0.1 | 111 | L62 C63 C66 | L62-R68 WeakPolarHBondContact CA-O 3.38Å; C63-R68 PolarHBondContact N-O 3.08Å; C66-R68 PolarHBondContact O-N 3.11Å | ||
| 69 | L | 91.2 | Very high | 89.6 | Confident | 81 Ų | 81 | 60.9 Ų | 60.9 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 138.3 | 175.8 | -74.7 | 162.1 | 0 | 0 | 0 | 111.5 | F24 A26 R60 F61 L62 | F24-L69 HydrophobicContact CE2-CD1 4.46Å; F24-L69 HydrophobicContact CE2-CD2 4.43Å; A26-L69 HydrophobicContact CB-CD2 4.19Å; R60-L69 HydrophobicContact CB-CD2 3.83Å; F61-L69 CarbonylContact O-C 3Å; F61-L69 WeakPolarHBondContact O-CA 3.47Å; L62-L69 HydrophobicContact CD2-CD2 3.32Å; L62-L69 HydrophobicContact CD2-CG 3.5Å; L62-L69 HydrophobicContact CG-CD2 3.68Å; L62-L69 HydrophobicContact CG-CG 4.39Å |
| 70 | W | 89.4 | Confident | 89.7 | Confident | 68 Ų | 68 | 64 Ų | 64 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.4 | 179.4 | -65.8 | 88.9 | 0 | 0 | 0 | 109.8 | R60 F61 T72 S75 V76 H79 | R60-W70 WeakPolarHBondContact CA-O 3.5Å; F61-W70 PolarHBondContact N-O 3.44Å; F61-W70 PolarHBondContact O-N 3.35Å; W70-T72 VanDerWaalsContact C-N 3.33Å; W70-T72 PolarHBondContact O-N 3.44Å; W70-S75 WeakPolarHBondContact CB-OG 3.37Å; W70-V76 HydrophobicContact CB-CB 3.83Å; W70-V76 HydrophobicContact CG-CB 3.84Å; W70-V76 HydrophobicContact CG-CG2 4.23Å; W70-H79 HydrophobicContact CD2-CB 4.35Å; W70-H79 AromaticContact CE2-CD2 3.81Å; W70-H79 AromaticContact CE2-CG 3.56Å; W70-H79 HydrophobicContact CH2-CB 3.86Å; W70-H79 HydrophobicContact CZ2-CB 3.36Å; W70-H79 AromaticContact CZ2-CD2 3.83Å; W70-H79 AromaticContact CZ2-CG 3.2Å; W70-H79 AromaticContact CZ2-ND1 3.4Å; W70-H79 WeakPolarHBondContact CZ2-ND1 3.32Å; W70-H79 AromaticContact NE1-CD2 3.43Å; W70-H79 PolarHBondContact NE1-CD2 3.48Å; W70-H79 AromaticContact NE1-CG 3.69Å |
| 71 | P | 89.1 | Confident | 89.5 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 60% | 0.597 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -74.2 | -23.2 | -175.8 | 29.2 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 72 | T | 89.6 | Confident | 89.3 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -132.2 | 151.9 | -177 | 65.9 | 0 | 0 | 0 | 0 | 111.5 | W70 H74 S75 V76 | W70-T72 VanDerWaalsContact C-N 3.33Å; W70-T72 PolarHBondContact O-N 3.44Å; T72-H74 VanDerWaalsContact C-N 3.26Å; T72-H74 PolarHBondContact O-N 3.03Å; T72-S75 PolarHBondContact N-OG 3.1Å; T72-S75 PolarHBondContact O-N 3.38Å; T72-S75 PolarHBondContact O-OG 3.42Å; T72-S75 WeakPolarHBondContact OG1-CB 3.26Å; T72-S75 PolarHBondContact OG1-N 3.4Å; T72-S75 PolarHBondContact OG1-OG 3.07Å; T72-V76 PolarHBondContact O-N 3.02Å |
| 73 | I | 90.1 | Very high | 89 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 176.4 | -177.8 | 158.2 | 0 | 0 | 0 | 112.4 | Y29 A45 F61 S75 V76 A77 | Y29-I73 HydrophobicContact CD2-CD1 4.22Å; Y29-I73 HydrophobicContact CD2-CG1 4.31Å; Y29-I73 HydrophobicContact CE2-CD1 3.94Å; Y29-I73 HydrophobicContact CE2-CG1 4.08Å; A45-I73 HydrophobicContact CB-CD1 2.91Å; A45-I73 HydrophobicContact CB-CG1 4.25Å; F61-I73 HydrophobicContact CD2-CB 4.3Å; F61-I73 HydrophobicContact CE1-CB 4.45Å; F61-I73 HydrophobicContact CE2-CB 3.87Å; F61-I73 HydrophobicContact CZ-CB 3.95Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 PolarHBondContact O-N 2.92Å; I73-V76 HydrophobicContact CG1-CG1 4.31Å; I73-V76 WeakPolarHBondContact O-CG1 3.3Å; I73-V76 PolarHBondContact O-N 3.1Å; I73-A77 VanDerWaalsContact O-CB 3.3Å; I73-A77 WeakPolarHBondContact O-CB 3.28Å; I73-A77 PolarHBondContact O-N 3.33Å |
| 74 | H | 90.3 | Very high | 88.4 | Confident | 139 Ų | 139 | 71.3 Ų | 71.3 | 64% | 0.644 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.5 | -43.2 | -179.1 | -175.3 | 70.6 | 0 | 0 | 0 | 110.8 | T72 A77 C78 | T72-H74 VanDerWaalsContact C-N 3.26Å; T72-H74 PolarHBondContact O-N 3.03Å; H74-A77 PolarHBondContact O-N 3.2Å; H74-C78 WeakPolarHBondContact O-CB 3.35Å; H74-C78 PolarHBondContact O-N 2.98Å; H74-C78 PolarHBondContact O-SG 3.16Å; H74-C78 VanDerWaalsContact O-SG 3.36Å |
| 75 | S | 91.4 | Very high | 87.4 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 16% | 0.161 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | -179.9 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | W70 T72 I73 H79 | W70-S75 WeakPolarHBondContact CB-OG 3.37Å; T72-S75 PolarHBondContact N-OG 3.1Å; T72-S75 PolarHBondContact O-N 3.38Å; T72-S75 PolarHBondContact O-OG 3.42Å; T72-S75 WeakPolarHBondContact OG1-CB 3.26Å; T72-S75 PolarHBondContact OG1-N 3.4Å; T72-S75 PolarHBondContact OG1-OG 3.07Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 PolarHBondContact O-N 2.92Å; S75-H79 WeakPolarHBondContact O-CB 3.32Å; S75-H79 PolarHBondContact O-N 2.94Å |
| 76 | V | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 173.9 | 71.5 | 0 | 0 | 0 | 0 | 112 | Y29 F61 C63 W70 T72 I73 H79 Y80 | Y29-V76 HydrophobicContact CD1-CG1 4.11Å; Y29-V76 HydrophobicContact CD1-CG2 4.04Å; Y29-V76 HydrophobicContact CD2-CG1 3.8Å; Y29-V76 HydrophobicContact CE2-CG1 4.39Å; Y29-V76 HydrophobicContact CG-CB 4.5Å; Y29-V76 HydrophobicContact CG-CG1 3.65Å; Y29-V76 HydrophobicContact CG-CG2 4.04Å; F61-V76 HydrophobicContact CB-CB 3.86Å; F61-V76 HydrophobicContact CB-CG1 3.53Å; F61-V76 HydrophobicContact CB-CG2 4.18Å; F61-V76 HydrophobicContact CG-CG1 3.99Å; C63-V76 HydrophobicContact CB-CG2 4.22Å; W70-V76 HydrophobicContact CB-CB 3.83Å; W70-V76 HydrophobicContact CG-CB 3.84Å; W70-V76 HydrophobicContact CG-CG2 4.23Å; T72-V76 PolarHBondContact O-N 3.02Å; I73-V76 HydrophobicContact CG1-CG1 4.31Å; I73-V76 WeakPolarHBondContact O-CG1 3.3Å; I73-V76 PolarHBondContact O-N 3.1Å; V76-H79 CarbonylContact O-C 3.55Å; V76-H79 PolarHBondContact O-N 2.9Å; V76-Y80 VanDerWaalsContact O-CB 3.23Å; V76-Y80 WeakPolarHBondContact O-CB 2.94Å; V76-Y80 PolarHBondContact O-N 3Å |
| 77 | A | 91.1 | Very high | 84.4 | Confident | 28 Ų | 28 | 86.3 Ų | 86.3 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67 | -45.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y29 I73 H74 H79 Y80 S81 | Y29-A77 HydrophobicContact CE1-CB 4.29Å; Y29-A77 HydrophobicContact CE2-CB 4.33Å; Y29-A77 WeakPolarHBondContact OH-CB 3.47Å; I73-A77 VanDerWaalsContact O-CB 3.3Å; I73-A77 WeakPolarHBondContact O-CB 3.28Å; I73-A77 PolarHBondContact O-N 3.33Å; H74-A77 PolarHBondContact O-N 3.2Å; A77-H79 VanDerWaalsContact C-N 3.27Å; A77-H79 PolarHBondContact O-N 3.43Å; A77-Y80 PolarHBondContact O-N 3.1Å; A77-S81 PolarHBondContact O-N 3.25Å |
| 78 | C | 89.9 | Confident | 82.7 | Confident | 55 Ų | 55 | 86.4 Ų | 86.4 | 37% | 0.372 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 173 | -72.5 | 0 | 0 | 0 | 0 | 111.6 | H74 S81 | H74-C78 WeakPolarHBondContact O-CB 3.35Å; H74-C78 PolarHBondContact O-N 2.98Å; H74-C78 PolarHBondContact O-SG 3.16Å; H74-C78 VanDerWaalsContact O-SG 3.36Å; C78-S81 PolarHBondContact O-OG 3.4Å |
| 79 | H | 90 | Very high | 81 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 15% | 0.148 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -69.5 | -48.9 | 176.3 | 170.4 | 73.6 | 0 | 0 | 0 | 112.6 | C63 C66 W70 S75 V76 A77 S81 K82 C83 | C63-H79 PolarHBondContact SG-CD2 2.96Å; C63-H79 PolarHBondContact SG-NE2 3.38Å; C63-H79 VanDerWaalsContact SG-NE2 3.44Å; C66-H79 PolarHBondContact SG-NE2 3.27Å; W70-H79 HydrophobicContact CD2-CB 4.35Å; W70-H79 AromaticContact CE2-CD2 3.81Å; W70-H79 AromaticContact CE2-CG 3.56Å; W70-H79 HydrophobicContact CH2-CB 3.86Å; W70-H79 HydrophobicContact CZ2-CB 3.36Å; W70-H79 AromaticContact CZ2-CD2 3.83Å; W70-H79 AromaticContact CZ2-CG 3.2Å; W70-H79 AromaticContact CZ2-ND1 3.4Å; W70-H79 WeakPolarHBondContact CZ2-ND1 3.32Å; W70-H79 AromaticContact NE1-CD2 3.43Å; W70-H79 PolarHBondContact NE1-CD2 3.48Å; W70-H79 AromaticContact NE1-CG 3.69Å; S75-H79 WeakPolarHBondContact O-CB 3.32Å; S75-H79 PolarHBondContact O-N 2.94Å; V76-H79 CarbonylContact O-C 3.55Å; V76-H79 PolarHBondContact O-N 2.9Å; A77-H79 VanDerWaalsContact C-N 3.27Å; A77-H79 PolarHBondContact O-N 3.43Å; H79-S81 PolarHBondContact O-N 3.09Å; H79-K82 CarbonylContact O-C 3.41Å; H79-K82 WeakPolarHBondContact O-CA 3.33Å; H79-K82 PolarHBondContact O-N 2.58Å; H79-C83 WeakPolarHBondContact NE2-CB 3.35Å; H79-C83 PolarHBondContact NE2-SG 3.3Å; H79-C83 VanDerWaalsContact NE2-SG 3.36Å; H79-C83 WeakPolarHBondContact O-CB 3.38Å; H79-C83 PolarHBondContact O-N 3.26Å |
| 80 | Y | 88.9 | Confident | 79.1 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 28% | 0.278 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -55.7 | -37.8 | -174.8 | -177 | -96.1 | 0 | 0 | 0 | 112.7 | Y29 P30 K65 V76 A77 K82 C83 | Y29-Y80 HydrophobicContact CD1-CD1 4.42Å; Y29-Y80 HydrophobicContact CD1-CD2 4.01Å; Y29-Y80 AromaticContact CD1-CG 3.83Å; Y29-Y80 HydrophobicContact CD1-CG 3.83Å; Y29-Y80 AromaticContact CE1-CD1 3.94Å; Y29-Y80 HydrophobicContact CE1-CD1 3.94Å; Y29-Y80 HydrophobicContact CE1-CD2 4.34Å; Y29-Y80 AromaticContact CE1-CG 3.72Å; Y29-Y80 HydrophobicContact CE1-CG 3.72Å; P30-Y80 WeakPolarHBondContact CD-OH 3.31Å; P30-Y80 HydrophobicContact CG-CE1 4.29Å; P30-Y80 HydrophobicContact CG-CE2 4.38Å; K65-Y80 HydrophobicContact CD-CD2 4.29Å; K65-Y80 HydrophobicContact CD-CE2 4.03Å; K65-Y80 HydrophobicContact CG-CD2 4.38Å; K65-Y80 HydrophobicContact CG-CE2 3.88Å; K65-Y80 PolarHBondContact NZ-O 3.42Å; V76-Y80 VanDerWaalsContact O-CB 3.23Å; V76-Y80 WeakPolarHBondContact O-CB 2.94Å; V76-Y80 PolarHBondContact O-N 3Å; A77-Y80 PolarHBondContact O-N 3.1Å; Y80-K82 VanDerWaalsContact C-N 3.28Å; Y80-K82 PolarHBondContact O-N 3.3Å; Y80-C83 PolarHBondContact O-N 3.47Å |
| 81 | S | 87.4 | Confident | 77.4 | Confident | 67 Ų | 67 | 87.9 Ų | 87.9 | 47% | 0.469 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.9 | -28 | 174.7 | 70.4 | 0 | 0 | 0 | 0 | 113.3 | A77 C78 H79 R85 | A77-S81 PolarHBondContact O-N 3.25Å; C78-S81 PolarHBondContact O-OG 3.4Å; H79-S81 PolarHBondContact O-N 3.09Å; S81-R85 PolarHBondContact O-NH2 2.86Å |
| 82 | K | 86.2 | Confident | 75.7 | Confident | 138 Ų | 138 | 92.9 Ų | 92.9 | 60% | 0.6 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -102.9 | -11.1 | 179 | -62 | 173.6 | -174.6 | 177.9 | 0 | 112.6 | H79 Y80 G84 R85 | H79-K82 CarbonylContact O-C 3.41Å; H79-K82 WeakPolarHBondContact O-CA 3.33Å; H79-K82 PolarHBondContact O-N 2.58Å; Y80-K82 VanDerWaalsContact C-N 3.28Å; Y80-K82 PolarHBondContact O-N 3.3Å; K82-G84 PolarHBondContact O-N 3.38Å; K82-R85 WeakPolarHBondContact O-CB 3.19Å; K82-R85 PolarHBondContact O-N 3.04Å; K82-R85 VanDerWaalsContact O-N 3.15Å |
| 83 | C | 84.9 | Confident | 74.3 | Confident | 14 Ų | 14 | 95.8 Ų | 95.8 | 10% | 0.095 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 127 | -176.5 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | K65 C66 H79 Y80 R85 | K65-C83 HydrophobicContact CB-CB 4.29Å; K65-C83 WeakPolarHBondContact CB-SG 3.1Å; K65-C83 HydrophobicContact CD-CB 3.93Å; K65-C83 WeakPolarHBondContact CD-O 3.44Å; K65-C83 PolarHBondContact NZ-O 3.14Å; C66-C83 PolarHBondContact SG-SG 2.91Å; H79-C83 WeakPolarHBondContact NE2-CB 3.35Å; H79-C83 PolarHBondContact NE2-SG 3.3Å; H79-C83 VanDerWaalsContact NE2-SG 3.36Å; H79-C83 WeakPolarHBondContact O-CB 3.38Å; H79-C83 PolarHBondContact O-N 3.26Å; Y80-C83 PolarHBondContact O-N 3.47Å; C83-R85 VanDerWaalsContact C-N 3.34Å |
| 84 | G | 77.2 | Confident | 72.6 | Confident | 76 Ų | 76 | 98 Ų | 98 | 78% | 0.784 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K82 R86 | K82-G84 PolarHBondContact O-N 3.38Å; G84-R86 PolarHBondContact O-N 3.42Å |
| 85 | R | 68.4 | Low | 71 | Confident | 166 Ų | 166 | 97.5 Ų | 97.5 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | trans | -67.6 | 111.8 | 165.1 | -85.9 | -169.4 | -86.3 | -121.5 | -1.7 | 107.3 | S81 K82 C83 V87 | S81-R85 PolarHBondContact O-NH2 2.86Å; K82-R85 WeakPolarHBondContact O-CB 3.19Å; K82-R85 PolarHBondContact O-N 3.04Å; K82-R85 VanDerWaalsContact O-N 3.15Å; C83-R85 VanDerWaalsContact C-N 3.34Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.72Å | ||
| 86 | R | 56.3 | Low | 69.3 | Low | 235 Ų | 235 | 102.4 Ų | 102.4 | 89% | 0.887 | 55% | 0.548 | S | S | * | . | trans | -52.3 | 111 | 156.5 | -74 | -175.4 | 179.2 | -116.9 | 0.5 | 104.8 | G84 T88 | G84-R86 PolarHBondContact O-N 3.42Å; R86-T88 PolarHBondContact O-N 2.69Å | ||
| 87 | V | 56 | Low | 67.3 | Low | 122 Ų | 122 | 106.8 Ų | 106.8 | 74% | 0.739 | 59% | 0.585 | S | S | * | * | trans | -64.5 | 87.8 | 163.2 | -178.2 | 0 | 0 | 0 | 0 | 103.2 | R85 R89 | R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.72Å; V87-R89 HydrophobicContact CG1-CG 4.03Å; V87-R89 PolarHBondContact O-N 2.94Å | ||
| 88 | T | 50.1 | Low | 65.5 | Low | 122 Ų | 122 | 110.4 Ų | 110.4 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | trans | -57.2 | 99.8 | 146 | 47.8 | 0 | 0 | 0 | 0 | 101.3 | R86 S90 | R86-T88 PolarHBondContact O-N 2.69Å; T88-S90 PolarHBondContact O-N 2.84Å | ||
| 89 | R | 52.6 | Low | 63.9 | Low | 158 Ų | 158 | 116.1 Ų | 116.1 | 60% | 0.596 | 62% | 0.62 | S | S | * | * | trans | -54.3 | 100.6 | 157.8 | -73.5 | 175.9 | 64.9 | 131.4 | 11.3 | 100.8 | V87 A91 R92 | V87-R89 HydrophobicContact CG1-CG 4.03Å; V87-R89 PolarHBondContact O-N 2.94Å; R89-A91 VanDerWaalsContact C-N 3.3Å; R89-A91 PolarHBondContact O-N 3.47Å; R89-R92 VanDerWaalsContact NH2-CG 3.27Å | ||
| 90 | S | 50.6 | Low | 62 | Low | 106 Ų | 106 | 122.7 Ų | 122.7 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | trans | -41.8 | 115.7 | 157.5 | -175.2 | 0 | 0 | 0 | 0 | 102.3 | T88 R92 | T88-S90 PolarHBondContact O-N 2.84Å; S90-R92 PolarHBondContact O-N 3.24Å | ||
| 91 | A | 53.7 | Low | 60.4 | Low | 76 Ų | 76 | 128.9 Ų | 128.9 | 63% | 0.628 | 68% | 0.679 | S | S | * | * | trans | -38.5 | 136.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | R89 L93 | R89-A91 VanDerWaalsContact C-N 3.3Å; R89-A91 PolarHBondContact O-N 3.47Å; A91-L93 PolarHBondContact O-N 3.37Å | ||
| 92 | R | 53.4 | Low | 59 | Low | 198 Ų | 198 | 129.9 Ų | 129.9 | 75% | 0.747 | 68% | 0.684 | S | S | * | * | trans | -49.1 | 105.9 | 171.5 | -71.1 | -171.5 | -152.6 | -148 | 1.1 | 103.8 | R89 S90 | R89-R92 VanDerWaalsContact NH2-CG 3.27Å; S90-R92 PolarHBondContact O-N 3.24Å | ||
| 93 | L | 60 | Low | 58.2 | Low | 132 Ų | 132 | 129.8 Ų | 129.8 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | trans | -55.3 | 131.7 | 168.8 | -77 | 164.8 | 0 | 0 | 0 | 102.1 | A91 | A91-L93 PolarHBondContact O-N 3.37Š| ||
| 94 | P | 54.3 | Low | 57.9 | Low | 99 Ų | 99 | 131.2 Ų | 131.2 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | trans | -47.2 | 141.9 | 169.5 | -1.1 | 5.9 | 0 | 0 | 0 | 105.9 | I96 | P94-I96 VanDerWaalsContact C-N 3.3Å; P94-I96 PolarHBondContact O-N 3.09Å | ||
| 95 | P | 56 | Low | 58.1 | Low | 130 Ų | 130 | 130.9 Ų | 130.9 | 84% | 0.844 | 68% | 0.676 | S | S | * | * | trans | -47.1 | 108.1 | 174 | -20.3 | 29.7 | 0 | 0 | 0 | 105.8 | A97 | P95-A97 PolarHBondContact O-N 3.49Š| ||
| 96 | I | 56.8 | Low | 59.1 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 65% | 0.646 | 67% | 0.666 | S | S | * | * | trans | -56.2 | 123.3 | 167.1 | -61.7 | 167.5 | 0 | 0 | 0 | 100.6 | P94 I98 | P94-I96 VanDerWaalsContact C-N 3.3Å; P94-I96 PolarHBondContact O-N 3.09Å; I96-I98 PolarHBondContact O-N 2.75Å | ||
| 97 | A | 49.3 | Very low | 60.7 | Low | 92 Ų | 92 | 114.4 Ų | 114.4 | 76% | 0.76 | 63% | 0.625 | S | S | * | * | trans | -60 | 87.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | P95 E99 | P95-A97 PolarHBondContact O-N 3.49Å; A97-E99 PolarHBondContact O-N 3.25Å | ||
| 98 | I | 53.8 | Low | 62.2 | Low | 104 Ų | 104 | 114 Ų | 114 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | trans | -71 | 93.6 | 168.2 | -59.2 | 164.7 | 0 | 0 | 0 | 100.3 | I96 D100 | I96-I98 PolarHBondContact O-N 2.75Å; I98-D100 PolarHBondContact O-N 3.35Å | ||
| 99 | E | 56.3 | Low | 64 | Low | 174 Ų | 174 | 111.3 Ų | 111.3 | 81% | 0.813 | 61% | 0.605 | S | S | * | * | trans | -40.3 | 136.5 | 161.7 | -71.9 | -162.1 | 149.4 | 0 | 0 | 107.3 | A97 R101 | A97-E99 PolarHBondContact O-N 3.25Å; E99-R101 PolarHBondContact O-N 3.06Å | ||
| 100 | D | 49.7 | Very low | 65.7 | Low | 170 Ų | 170 | 106.7 Ų | 106.7 | 91% | 0.909 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -48.5 | 71.7 | -176.4 | -70 | -56.5 | 0 | 0 | 0 | 112.9 | I98 | I98-D100 PolarHBondContact O-N 3.35Š|
| 101 | R | 55.9 | Low | 67.5 | Low | 202 Ų | 202 | 103.8 Ų | 103.8 | 76% | 0.762 | 58% | 0.583 | S | S | * | * | trans | -83.4 | 124.4 | 162.8 | -177 | 172 | -85 | -149.8 | -3.2 | 103.6 | E99 H103 | E99-R101 PolarHBondContact O-N 3.06Å; R101-H103 PolarHBondContact O-N 3.42Å; R101-H103 PolarHBondContact O-ND1 3.44Å | ||
| 102 | P | 58.3 | Low | 69.1 | Low | 88 Ų | 88 | 105.2 Ų | 105.2 | 57% | 0.571 | 58% | 0.576 | S | S | * | * | trans | -51.7 | 117.2 | 174.5 | -21.9 | 32 | 0 | 0 | 0 | 107 | T104 | P102-T104 WeakPolarHBondContact CB-OG1 3.49Å; P102-T104 PolarHBondContact O-N 2.57Å | ||
| 103 | H | 67.7 | Low | 70.8 | Confident | 136 Ų | 136 | 102 Ų | 102 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -72.1 | 38 | 173.2 | -74.3 | 76.7 | 0 | 0 | 0 | 109.9 | R101 | R101-H103 PolarHBondContact O-N 3.42Å; R101-H103 PolarHBondContact O-ND1 3.44Å |
| 104 | T | 79.6 | Confident | 72.2 | Confident | 44 Ų | 44 | 97.7 Ų | 97.7 | 27% | 0.27 | 55% | 0.546 | S | S | . | . | trans | -122.6 | 124.5 | -174.8 | 53.1 | 0 | 0 | 0 | 0 | 107.7 | P102 Q113 F114 T115 | P102-T104 WeakPolarHBondContact CB-OG1 3.49Å; P102-T104 PolarHBondContact O-N 2.57Å; T104-Q113 HydrophobicContact CG2-CB 4.44Å; T104-Q113 PolarHBondContact OG1-OE1 2.87Å; T104-F114 CarbonylContact C-O 3.57Å; T104-F114 WeakPolarHBondContact CA-O 3.4Å; T104-T115 HydrophobicContact CG2-CG2 4.39Å | ||
| 105 | V | 81.7 | Confident | 73.7 | Confident | 68 Ų | 68 | 98.7 Ų | 98.7 | 41% | 0.412 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 119.3 | 173.2 | -160.5 | 0 | 0 | 0 | 0 | 106.7 | F114 L120 | V105-F114 PolarHBondContact N-O 2.94Å; V105-F114 PolarHBondContact O-N 3.2Å; V105-L120 HydrophobicContact CB-CD2 3.87Å; V105-L120 HydrophobicContact CG1-CD2 3.34Å |
| 106 | A | 89.5 | Confident | 75.2 | Confident | 51 Ų | 51 | 96 Ų | 96 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 145.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E112 Q113 | A106-E112 CarbonylContact C-O 3.59Å; A106-E112 VanDerWaalsContact CA-O 3.26Å; A106-E112 WeakPolarHBondContact CA-O 3.33Å; A106-Q113 HydrophobicContact CB-CG 4.4Å |
| 107 | C | 89.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 93.3 Ų | 93.3 | 3% | 0.027 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -71 | 130.7 | 168.7 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | D109 C110 G111 E112 F114 L120 H123 | C107-D109 PolarHBondContact O-N 3.3Å; C107-D109 PolarHBondContact SG-N 3.42Å; C107-D109 VanDerWaalsContact SG-N 3.35Å; C107-C110 VanDerWaalsContact CB-SG 3.59Å; C107-G111 WeakPolarHBondContact O-CA 3.38Å; C107-G111 PolarHBondContact O-N 2.95Å; C107-E112 PolarHBondContact N-O 3.29Å; C107-F114 HydrophobicContact CB-CE2 4.38Å; C107-L120 VanDerWaalsContact CA-CD1 3.43Å; C107-L120 HydrophobicContact CB-CD1 3.58Å; C107-H123 PolarHBondContact SG-NE2 3.37Å; C107-H123 VanDerWaalsContact SG-NE2 3.42Å |
| 108 | T | 87.9 | Confident | 78.6 | Confident | 115 Ų | 115 | 94.3 Ų | 94.3 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22.6 | 175.9 | 51.2 | 0 | 0 | 0 | 0 | 113 | ||
| 109 | D | 87 | Confident | 80.3 | Confident | 64 Ų | 64 | 90.3 Ų | 90.3 | 34% | 0.342 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -30.1 | -170.6 | -50.5 | -45.3 | 0 | 0 | 0 | 112 | C107 R124 H128 | C107-D109 PolarHBondContact O-N 3.3Å; C107-D109 PolarHBondContact SG-N 3.42Å; C107-D109 VanDerWaalsContact SG-N 3.35Å; D109-R124 IonicContact OD1-NH2 3.02Å; D109-R124 IonicContact OD2-CZ 2.96Å; D109-R124 IonicContact OD2-NE 3.56Å; D109-R124 PolarHBondContact OD2-NE 2.86Å; D109-R124 IonicContact OD2-NH2 2.7Å; D109-R124 PolarHBondContact OD2-NH2 2.84Å; D109-H128 HydrophobicContact CB-CB 4.13Å; D109-H128 VanDerWaalsContact CB-CG 3.47Å; D109-H128 IonicContact OD2-CD2 2.76Å; D109-H128 IonicContact OD2-CG 3.17Å |
| 110 | C | 89.6 | Confident | 81.9 | Confident | 61 Ų | 61 | 83.1 Ų | 83.1 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | -8.7 | 178.9 | 66.3 | 0 | 0 | 0 | 0 | 115.8 | C107 E112 H123 H128 | C107-C110 VanDerWaalsContact CB-SG 3.59Å; C110-E112 VanDerWaalsContact C-N 3.32Å; C110-E112 PolarHBondContact O-N 3.07Å; C110-H123 PolarHBondContact SG-CE1 3.33Å; C110-H123 PolarHBondContact SG-NE2 3.04Å; C110-H128 VanDerWaalsContact CB-NE2 3.33Å; C110-H128 WeakPolarHBondContact CB-NE2 3.44Å; C110-H128 PolarHBondContact SG-NE2 3.01Å |
| 111 | G | 87.1 | Confident | 83.8 | Confident | 45 Ų | 45 | 80.6 Ų | 80.6 | 46% | 0.464 | 46% | 0.459 | S | S | . | . | trans | 79.7 | 1.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | C107 | C107-G111 WeakPolarHBondContact O-CA 3.38Å; C107-G111 PolarHBondContact O-N 2.95Å | ||
| 112 | E | 87.7 | Confident | 85.4 | Confident | 106 Ų | 106 | 75.4 Ų | 75.4 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | trans | -61 | 137.9 | 176.3 | -75.8 | -168.7 | 169.1 | 0 | 0 | 112 | A106 C107 C110 F114 H123 | A106-E112 CarbonylContact C-O 3.59Å; A106-E112 VanDerWaalsContact CA-O 3.26Å; A106-E112 WeakPolarHBondContact CA-O 3.33Å; C107-E112 PolarHBondContact N-O 3.29Å; C110-E112 VanDerWaalsContact C-N 3.32Å; C110-E112 PolarHBondContact O-N 3.07Å; E112-F114 HydrophobicContact CB-CE2 3.63Å; E112-F114 HydrophobicContact CB-CZ 3.84Å; E112-F114 WeakPolarHBondContact O-CD2 3.39Å; E112-F114 WeakPolarHBondContact O-CE2 3.31Å; E112-H123 IonicContact OE2-CE1 3.64Å; E112-H123 PolarHBondContact OE2-CE1 3.06Å; E112-H123 IonicContact OE2-CG 2.68Å; E112-H123 IonicContact OE2-ND1 2.64Å; E112-H123 PolarHBondContact OE2-ND1 3.26Å | ||
| 113 | Q | 89.9 | Confident | 87.1 | Confident | 132 Ų | 132 | 72 Ų | 72 | 62% | 0.617 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.6 | -173.5 | -68.7 | -178 | 58.9 | 0 | 0 | 111.4 | T104 A106 | T104-Q113 HydrophobicContact CG2-CB 4.44Å; T104-Q113 PolarHBondContact OG1-OE1 2.87Å; A106-Q113 HydrophobicContact CB-CG 4.4Å |
| 114 | F | 88.6 | Confident | 88.2 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 18% | 0.18 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.5 | -178 | -63.1 | -85.3 | 0 | 0 | 0 | 111.9 | T104 V105 C107 E112 T116 L120 H123 | T104-F114 CarbonylContact C-O 3.57Å; T104-F114 WeakPolarHBondContact CA-O 3.4Å; V105-F114 PolarHBondContact N-O 2.94Å; V105-F114 PolarHBondContact O-N 3.2Å; C107-F114 HydrophobicContact CB-CE2 4.38Å; E112-F114 HydrophobicContact CB-CE2 3.63Å; E112-F114 HydrophobicContact CB-CZ 3.84Å; E112-F114 WeakPolarHBondContact O-CD2 3.39Å; E112-F114 WeakPolarHBondContact O-CE2 3.31Å; F114-T116 PolarHBondContact O-N 3.38Å; F114-L120 HydrophobicContact CB-CB 4.06Å; F114-L120 HydrophobicContact CD2-CB 3.84Å; F114-L120 HydrophobicContact CD2-CD1 3.7Å; F114-L120 HydrophobicContact CD2-CG 4.38Å; F114-L120 HydrophobicContact CE2-CD1 3.95Å; F114-L120 HydrophobicContact CG-CB 4.05Å; F114-H123 HydrophobicContact CE1-CB 3.64Å; F114-H123 HydrophobicContact CE2-CB 3.76Å; F114-H123 AromaticContact CE2-CD2 3.78Å; F114-H123 AromaticContact CE2-CG 3.57Å; F114-H123 HydrophobicContact CZ-CB 3.21Å; F114-H123 AromaticContact CZ-CD2 3.87Å; F114-H123 AromaticContact CZ-CG 3.19Å; F114-H123 AromaticContact CZ-ND1 3.42Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.43Å |
| 115 | T | 86.4 | Confident | 88.7 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 73% | 0.73 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -68.7 | -11.1 | 177.7 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | T104 | T104-T115 HydrophobicContact CG2-CG2 4.39Š|
| 116 | T | 87.5 | Confident | 89.2 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 45% | 0.454 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -141.1 | 147.3 | 180 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | F114 T118 G119 L120 | F114-T116 PolarHBondContact O-N 3.38Å; T116-T118 VanDerWaalsContact C-N 3.27Å; T116-T118 PolarHBondContact O-N 2.92Å; T116-G119 PolarHBondContact O-N 3.03Å; T116-G119 VanDerWaalsContact O-N 3.15Å; T116-G119 PolarHBondContact OG1-N 3.3Å; T116-L120 PolarHBondContact O-N 3.4Å; T116-L120 VanDerWaalsContact O-N 3.14Å |
| 117 | A | 87.5 | Confident | 89.3 | Confident | 69 Ų | 69 | 73.5 Ų | 73.5 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.1 | -36.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G119 L120 Q121 | A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 2.8Å; A117-L120 PolarHBondContact O-N 3.21Å; A117-Q121 WeakPolarHBondContact O-CB 3.35Å; A117-Q121 PolarHBondContact O-N 2.92Å |
| 118 | T | 89 | Confident | 89.3 | Confident | 113 Ų | 113 | 75.4 Ų | 75.4 | 69% | 0.693 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 175 | -46.2 | 0 | 0 | 0 | 0 | 111.7 | T116 Q121 L122 | T116-T118 VanDerWaalsContact C-N 3.27Å; T116-T118 PolarHBondContact O-N 2.92Å; T118-Q121 PolarHBondContact O-N 3.26Å; T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 PolarHBondContact O-N 3.32Å |
| 119 | G | 89.6 | Confident | 89.3 | Confident | 21 Ų | 21 | 73 Ų | 73 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T116 A117 Q121 L122 H123 | T116-G119 PolarHBondContact O-N 3.03Å; T116-G119 VanDerWaalsContact O-N 3.15Å; T116-G119 PolarHBondContact OG1-N 3.3Å; A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 2.8Å; G119-Q121 VanDerWaalsContact C-N 3.34Å; G119-Q121 PolarHBondContact O-N 2.88Å; G119-L122 PolarHBondContact O-N 2.94Å; G119-H123 PolarHBondContact O-N 2.85Å |
| 120 | L | 91 | Very high | 89.3 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 12% | 0.12 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.4 | 171.9 | 60.9 | 0 | 0 | 0 | 111.8 | V105 C107 F114 T116 A117 L122 H123 R124 | V105-L120 HydrophobicContact CB-CD2 3.87Å; V105-L120 HydrophobicContact CG1-CD2 3.34Å; C107-L120 VanDerWaalsContact CA-CD1 3.43Å; C107-L120 HydrophobicContact CB-CD1 3.58Å; F114-L120 HydrophobicContact CB-CB 4.06Å; F114-L120 HydrophobicContact CD2-CB 3.84Å; F114-L120 HydrophobicContact CD2-CD1 3.7Å; F114-L120 HydrophobicContact CD2-CG 4.38Å; F114-L120 HydrophobicContact CE2-CD1 3.95Å; F114-L120 HydrophobicContact CG-CB 4.05Å; T116-L120 PolarHBondContact O-N 3.4Å; T116-L120 VanDerWaalsContact O-N 3.14Å; A117-L120 PolarHBondContact O-N 3.21Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 3.01Å; L120-H123 PolarHBondContact O-N 3.42Å; L120-R124 HydrophobicContact CD1-CG 3.95Å; L120-R124 HydrophobicContact CG-CG 4.45Å; L120-R124 WeakPolarHBondContact O-CG 3.46Å; L120-R124 PolarHBondContact O-N 3.44Å |
| 121 | Q | 88.9 | Confident | 89.2 | Confident | 117 Ų | 117 | 76.6 Ų | 76.6 | 55% | 0.547 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | -179.7 | -175.9 | 158.9 | -1.8 | 0 | 0 | 112.3 | A117 T118 G119 R125 F132 | A117-Q121 WeakPolarHBondContact O-CB 3.35Å; A117-Q121 PolarHBondContact O-N 2.92Å; T118-Q121 PolarHBondContact O-N 3.26Å; G119-Q121 VanDerWaalsContact C-N 3.34Å; G119-Q121 PolarHBondContact O-N 2.88Å; Q121-R125 WeakPolarHBondContact O-CB 3.32Å; Q121-R125 PolarHBondContact O-N 3.08Å; Q121-R125 VanDerWaalsContact O-N 3.09Å; Q121-F132 HydrophobicContact CG-CE2 3.86Å; Q121-F132 HydrophobicContact CG-CZ 4.3Å |
| 122 | L | 90.9 | Very high | 89.3 | Confident | 93 Ų | 93 | 76.3 Ų | 76.3 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 173.6 | -179.9 | 61.4 | 0 | 0 | 0 | 111.2 | T118 G119 L120 R125 S126 | T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 PolarHBondContact O-N 3.32Å; G119-L122 PolarHBondContact O-N 2.94Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 3.01Å; L122-R125 PolarHBondContact O-N 3.3Å; L122-S126 PolarHBondContact O-N 2.78Å; L122-S126 VanDerWaalsContact O-N 3.11Å; L122-S126 PolarHBondContact O-OG 2.86Å |
| 123 | H | 92 | Very high | 89.2 | Confident | 17 Ų | 17 | 76 Ų | 76 | 8% | 0.079 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 176.1 | 162 | 92 | 0 | 0 | 0 | 111.6 | C107 C110 E112 F114 G119 L120 R125 S126 A127 H128 | C107-H123 PolarHBondContact SG-NE2 3.37Å; C107-H123 VanDerWaalsContact SG-NE2 3.42Å; C110-H123 PolarHBondContact SG-CE1 3.33Å; C110-H123 PolarHBondContact SG-NE2 3.04Å; E112-H123 IonicContact OE2-CE1 3.64Å; E112-H123 PolarHBondContact OE2-CE1 3.06Å; E112-H123 IonicContact OE2-CG 2.68Å; E112-H123 IonicContact OE2-ND1 2.64Å; E112-H123 PolarHBondContact OE2-ND1 3.26Å; F114-H123 HydrophobicContact CE1-CB 3.64Å; F114-H123 HydrophobicContact CE2-CB 3.76Å; F114-H123 AromaticContact CE2-CD2 3.78Å; F114-H123 AromaticContact CE2-CG 3.57Å; F114-H123 HydrophobicContact CZ-CB 3.21Å; F114-H123 AromaticContact CZ-CD2 3.87Å; F114-H123 AromaticContact CZ-CG 3.19Å; F114-H123 AromaticContact CZ-ND1 3.42Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.43Å; G119-H123 PolarHBondContact O-N 2.85Å; L120-H123 PolarHBondContact O-N 3.42Å; H123-R125 PolarHBondContact O-N 3.26Å; H123-S126 PolarHBondContact O-N 2.99Å; H123-S126 PolarHBondContact O-OG 3.47Å; H123-S126 VanDerWaalsContact O-OG 3.1Å; H123-A127 WeakPolarHBondContact O-CB 3.49Å; H123-A127 PolarHBondContact O-N 3.42Å; H123-H128 AromaticContact CE1-NE2 3.96Å; H123-H128 AromaticContact NE2-CD2 3.34Å; H123-H128 PolarHBondContact NE2-CD2 3.17Å; H123-H128 VanDerWaalsContact NE2-CD2 3.34Å; H123-H128 AromaticContact NE2-NE2 3.39Å; H123-H128 PolarHBondContact NE2-NE2 2.92Å |
| 124 | R | 91.8 | Very high | 89 | Confident | 36 Ų | 36 | 73.5 Ų | 73.5 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.7 | -39 | 179.3 | -69.3 | -168.2 | 78.1 | -157.5 | -2.3 | 111.4 | D109 L120 S126 H128 F132 D135 | D109-R124 IonicContact OD1-NH2 3.02Å; D109-R124 IonicContact OD2-CZ 2.96Å; D109-R124 IonicContact OD2-NE 3.56Å; D109-R124 PolarHBondContact OD2-NE 2.86Å; D109-R124 IonicContact OD2-NH2 2.7Å; D109-R124 PolarHBondContact OD2-NH2 2.84Å; L120-R124 HydrophobicContact CD1-CG 3.95Å; L120-R124 HydrophobicContact CG-CG 4.45Å; L120-R124 WeakPolarHBondContact O-CG 3.46Å; L120-R124 PolarHBondContact O-N 3.44Å; R124-S126 VanDerWaalsContact C-N 3.32Å; R124-S126 PolarHBondContact O-N 3.13Å; R124-H128 CarbonylContact O-C 3.46Å; R124-H128 WeakPolarHBondContact O-CA 3.49Å; R124-H128 PolarHBondContact O-N 2.64Å; R124-F132 HydrophobicContact CB-CB 4.28Å; R124-F132 HydrophobicContact CB-CD2 3.86Å; R124-F132 HydrophobicContact CB-CG 4.43Å; R124-D135 IonicContact CZ-OD2 2.88Å; R124-D135 IonicContact NH1-OD2 3.17Å; R124-D135 PolarHBondContact NH1-OD2 3.31Å; R124-D135 IonicContact NH2-OD2 2.93Å; R124-D135 PolarHBondContact NH2-OD2 3.03Å |
| 125 | R | 90.7 | Very high | 88.7 | Confident | 153 Ų | 153 | 76.4 Ų | 76.4 | 58% | 0.577 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.4 | -33.9 | 176.9 | -172.4 | 177.1 | 67.5 | -177.8 | 3.6 | 113.1 | Q121 L122 H123 F132 | Q121-R125 WeakPolarHBondContact O-CB 3.32Å; Q121-R125 PolarHBondContact O-N 3.08Å; Q121-R125 VanDerWaalsContact O-N 3.09Å; L122-R125 PolarHBondContact O-N 3.3Å; H123-R125 PolarHBondContact O-N 3.26Å; R125-F132 HydrophobicContact CB-CD1 4.14Å; R125-F132 HydrophobicContact CB-CE1 4.12Å; R125-F132 HydrophobicContact CB-CG 4.39Å; R125-F132 HydrophobicContact CB-CZ 4.38Å; R125-F132 HydrophobicContact CG-CD1 4.19Å; R125-F132 HydrophobicContact CG-CE1 4.03Å |
| 126 | S | 92.4 | Very high | 88.4 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -91.9 | -45.3 | -178.4 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | L122 H123 R124 | L122-S126 PolarHBondContact O-N 2.78Å; L122-S126 VanDerWaalsContact O-N 3.11Å; L122-S126 PolarHBondContact O-OG 2.86Å; H123-S126 PolarHBondContact O-N 2.99Å; H123-S126 PolarHBondContact O-OG 3.47Å; H123-S126 VanDerWaalsContact O-OG 3.1Å; R124-S126 VanDerWaalsContact C-N 3.32Å; R124-S126 PolarHBondContact O-N 3.13Å |
| 127 | A | 89.9 | Confident | 87.7 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -89.1 | -29.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | H123 P129 | H123-A127 WeakPolarHBondContact O-CB 3.49Å; H123-A127 PolarHBondContact O-N 3.42Å; A127-P129 VanDerWaalsContact C-CD 3.42Å |
| 128 | H | 89.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 88.1 Ų | 88.1 | 20% | 0.204 | 46% | 0.46 | C | S | . | . | trans | -129.4 | 56.1 | -176.5 | -55.4 | -66.2 | 0 | 0 | 0 | 112.1 | D109 C110 H123 R124 E130 A131 F132 | D109-H128 HydrophobicContact CB-CB 4.13Å; D109-H128 VanDerWaalsContact CB-CG 3.47Å; D109-H128 IonicContact OD2-CD2 2.76Å; D109-H128 IonicContact OD2-CG 3.17Å; C110-H128 VanDerWaalsContact CB-NE2 3.33Å; C110-H128 WeakPolarHBondContact CB-NE2 3.44Å; C110-H128 PolarHBondContact SG-NE2 3.01Å; H123-H128 AromaticContact CE1-NE2 3.96Å; H123-H128 AromaticContact NE2-CD2 3.34Å; H123-H128 PolarHBondContact NE2-CD2 3.17Å; H123-H128 VanDerWaalsContact NE2-CD2 3.34Å; H123-H128 AromaticContact NE2-NE2 3.39Å; H123-H128 PolarHBondContact NE2-NE2 2.92Å; R124-H128 CarbonylContact O-C 3.46Å; R124-H128 WeakPolarHBondContact O-CA 3.49Å; R124-H128 PolarHBondContact O-N 2.64Å; H128-E130 VanDerWaalsContact C-N 3.25Å; H128-E130 PolarHBondContact O-N 3.37Å; H128-A131 HydrophobicContact CB-CB 4.22Å; H128-A131 PolarHBondContact O-N 2.68Å; H128-F132 VanDerWaalsContact O-CB 3.26Å; H128-F132 WeakPolarHBondContact O-CB 3.45Å; H128-F132 PolarHBondContact O-N 3.4Å | ||
| 129 | P | 88.1 | Confident | 86 | Confident | 64 Ų | 64 | 89.9 Ų | 89.9 | 42% | 0.416 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.9 | -34.7 | -173.2 | 25.2 | -34.9 | 0 | 0 | 0 | 112.8 | A127 N133 | A127-P129 VanDerWaalsContact C-CD 3.42Å; P129-N133 WeakPolarHBondContact O-CB 3.48Å; P129-N133 PolarHBondContact O-N 2.88Å; P129-N133 PolarHBondContact O-ND2 3.49Å |
| 130 | E | 87.4 | Confident | 85.2 | Confident | 172 Ų | 172 | 98.4 Ų | 98.4 | 80% | 0.804 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.6 | -51.7 | 178.2 | -65.2 | -175.1 | 174.3 | 0 | 0 | 112 | H128 F132 N133 A134 | H128-E130 VanDerWaalsContact C-N 3.25Å; H128-E130 PolarHBondContact O-N 3.37Å; E130-F132 PolarHBondContact O-N 2.93Å; E130-N133 PolarHBondContact O-N 3.1Å; E130-A134 WeakPolarHBondContact O-CB 3.48Å; E130-A134 PolarHBondContact O-N 3.33Å |
| 131 | A | 87.7 | Confident | 84.4 | Confident | 29 Ų | 29 | 105.7 Ų | 105.7 | 24% | 0.24 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H128 N133 A134 D135 | H128-A131 HydrophobicContact CB-CB 4.22Å; H128-A131 PolarHBondContact O-N 2.68Å; A131-N133 VanDerWaalsContact C-N 3.3Å; A131-N133 PolarHBondContact O-N 3.11Å; A131-A134 PolarHBondContact O-N 3.15Å; A131-D135 PolarHBondContact O-N 3.33Å |
| 132 | F | 87.7 | Confident | 84 | Confident | 40 Ų | 40 | 104.7 Ų | 104.7 | 18% | 0.175 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -59.3 | -40 | 175.9 | -179.1 | -101.4 | 0 | 0 | 0 | 112.6 | Q121 R124 R125 H128 E130 R136 | Q121-F132 HydrophobicContact CG-CE2 3.86Å; Q121-F132 HydrophobicContact CG-CZ 4.3Å; R124-F132 HydrophobicContact CB-CB 4.28Å; R124-F132 HydrophobicContact CB-CD2 3.86Å; R124-F132 HydrophobicContact CB-CG 4.43Å; R125-F132 HydrophobicContact CB-CD1 4.14Å; R125-F132 HydrophobicContact CB-CE1 4.12Å; R125-F132 HydrophobicContact CB-CG 4.39Å; R125-F132 HydrophobicContact CB-CZ 4.38Å; R125-F132 HydrophobicContact CG-CD1 4.19Å; R125-F132 HydrophobicContact CG-CE1 4.03Å; H128-F132 VanDerWaalsContact O-CB 3.26Å; H128-F132 WeakPolarHBondContact O-CB 3.45Å; H128-F132 PolarHBondContact O-N 3.4Å; E130-F132 PolarHBondContact O-N 2.93Å; F132-R136 PolarHBondContact O-N 3.01Å |
| 133 | N | 86.7 | Confident | 83.7 | Confident | 99 Ų | 99 | 108.4 Ų | 108.4 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.3 | -31.3 | 177.5 | -73.8 | -28.1 | 0 | 0 | 0 | 112.9 | P129 E130 A131 | P129-N133 WeakPolarHBondContact O-CB 3.48Å; P129-N133 PolarHBondContact O-N 2.88Å; P129-N133 PolarHBondContact O-ND2 3.49Å; E130-N133 PolarHBondContact O-N 3.1Å; A131-N133 VanDerWaalsContact C-N 3.3Å; A131-N133 PolarHBondContact O-N 3.11Å |
| 134 | A | 86 | Confident | 83.5 | Confident | 80 Ų | 80 | 108.4 Ų | 108.4 | 66% | 0.661 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E130 A131 R136 | E130-A134 WeakPolarHBondContact O-CB 3.48Å; E130-A134 PolarHBondContact O-N 3.33Å; A131-A134 PolarHBondContact O-N 3.15Å; A134-R136 PolarHBondContact O-N 3.27Å |
| 135 | D | 82.6 | Confident | 83.5 | Confident | 101 Ų | 101 | 109.2 Ų | 109.2 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.1 | -18.5 | 178.7 | -76.8 | -7.1 | 0 | 0 | 0 | 113.3 | R124 A131 P137 | R124-D135 IonicContact CZ-OD2 2.88Å; R124-D135 IonicContact NH1-OD2 3.17Å; R124-D135 PolarHBondContact NH1-OD2 3.31Å; R124-D135 IonicContact NH2-OD2 2.93Å; R124-D135 PolarHBondContact NH2-OD2 3.03Å; A131-D135 PolarHBondContact O-N 3.33Å; D135-P137 VanDerWaalsContact O-CD 3.27Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å |
| 136 | R | 80.1 | Confident | 83.5 | Confident | 179 Ų | 179 | 109.5 Ų | 109.5 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -68.5 | 119.6 | -179.4 | -166.8 | 173.6 | -172.7 | -129.1 | -0.6 | 109.3 | F132 A134 R138 | F132-R136 PolarHBondContact O-N 3.01Å; A134-R136 PolarHBondContact O-N 3.27Å; R136-R138 PolarHBondContact O-N 3.05Å |
| 137 | P | 72.1 | Confident | 83.5 | Confident | 103 Ų | 103 | 111 Ų | 111 | 67% | 0.669 | 55% | 0.55 | S | S | * | * | trans | -58.6 | 116.3 | 175 | 22 | -30.6 | 0 | 0 | 0 | 108.6 | D135 E139 | D135-P137 VanDerWaalsContact O-CD 3.27Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-E139 VanDerWaalsContact C-N 3.25Å; P137-E139 PolarHBondContact O-N 3.45Å | ||
| 138 | R | 71 | Confident | 83.7 | Confident | 226 Ų | 226 | 109.6 Ų | 109.6 | 85% | 0.853 | 54% | 0.535 | S | S | * | . | trans | -73.1 | 87.7 | 173.1 | -72.7 | -175.1 | 173.8 | -155 | -0.1 | 107.7 | R136 K140 | R136-R138 PolarHBondContact O-N 3.05Å; R138-K140 PolarHBondContact O-N 2.95Å | ||
| 139 | E | 70.5 | Confident | 83.8 | Confident | 151 Ų | 151 | 109 Ų | 109 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | trans | -58.4 | 100.2 | 167.4 | -71 | 179.8 | -172.3 | 0 | 0 | 108.7 | P137 K141 | P137-E139 VanDerWaalsContact C-N 3.25Å; P137-E139 PolarHBondContact O-N 3.45Å; E139-K141 PolarHBondContact O-N 2.97Å | ||
| 140 | K | 72.3 | Confident | 84.1 | Confident | 200 Ų | 200 | 109.1 Ų | 109.1 | 87% | 0.87 | 53% | 0.531 | S | S | * | . | trans | -74 | 82.5 | 170.4 | -69.1 | 179.8 | -176.3 | 173.9 | 0 | 107.5 | R138 S142 | R138-K140 PolarHBondContact O-N 2.95Å; K140-S142 PolarHBondContact O-N 2.86Å | ||
| 141 | K | 73.6 | Confident | 84.3 | Confident | 176 Ų | 176 | 101.2 Ų | 101.2 | 77% | 0.765 | 50% | 0.495 | S | S | * | . | trans | -58.3 | 114.8 | 171.1 | -66 | -178.2 | -179.8 | -177.3 | 0 | 107.8 | E139 R143 | E139-K141 PolarHBondContact O-N 2.97Å; K141-R143 PolarHBondContact O-N 2.79Å | ||
| 142 | S | 80 | Confident | 84.6 | Confident | 96 Ų | 96 | 99.9 Ų | 99.9 | 67% | 0.671 | 48% | 0.484 | S | S | * | . | trans | -56.4 | 127.3 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 108.5 | K140 W144 | K140-S142 PolarHBondContact O-N 2.86Å; S142-W144 WeakPolarHBondContact CB-O 3.39Å; S142-W144 PolarHBondContact O-N 3.41Å; S142-W144 VanDerWaalsContact O-N 3.13Å; S142-W144 PolarHBondContact OG-N 3.01Å; S142-W144 PolarHBondContact OG-O 2.85Å | ||
| 143 | R | 85.3 | Confident | 84.8 | Confident | 171 Ų | 171 | 98 Ų | 98 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -60.3 | -24.1 | -179.8 | -176 | 172.2 | -176.7 | 84.2 | 2.8 | 112.6 | K141 R182 M186 | K141-R143 PolarHBondContact O-N 2.79Å; R143-R182 PolarHBondContact O-NH2 3.26Å; R143-M186 HydrophobicContact CG-CE 3.97Å; R143-M186 PolarHBondContact NE-SD 3.3Å; R143-M186 PolarHBondContact NH2-SD 2.63Å |
| 144 | W | 88.4 | Confident | 85.2 | Confident | 17 Ų | 17 | 95.7 Ų | 95.7 | 6% | 0.064 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -116.9 | 128.8 | 177.2 | -72.2 | 77.2 | 0 | 0 | 0 | 109.4 | S142 E148 V149 L152 R182 M186 I187 Q190 | S142-W144 WeakPolarHBondContact CB-O 3.39Å; S142-W144 PolarHBondContact O-N 3.41Å; S142-W144 VanDerWaalsContact O-N 3.13Å; S142-W144 PolarHBondContact OG-N 3.01Å; S142-W144 PolarHBondContact OG-O 2.85Å; W144-E148 WeakPolarHBondContact CA-OE2 3.47Å; W144-E148 HydrophobicContact CE3-CB 3.69Å; W144-E148 HydrophobicContact CZ3-CB 4.19Å; W144-V149 HydrophobicContact CB-CG2 3.77Å; W144-V149 HydrophobicContact CE3-CG2 4.26Å; W144-V149 HydrophobicContact CG-CG2 4.48Å; W144-L152 HydrophobicContact CH2-CD2 3.83Å; W144-L152 HydrophobicContact CZ3-CB 4.28Å; W144-L152 HydrophobicContact CZ3-CD2 3.89Å; W144-R182 HydrophobicContact CH2-CB 4.09Å; W144-R182 HydrophobicContact CH2-CG 3.91Å; W144-R182 HydrophobicContact CZ2-CB 4.32Å; W144-R182 HydrophobicContact CZ2-CG 4.25Å; W144-R182 HydrophobicContact CZ3-CG 4.33Å; W144-M186 HydrophobicContact CZ2-CB 4.06Å; W144-M186 HydrophobicContact CZ2-CE 4.29Å; W144-I187 HydrophobicContact CH2-CG1 4.01Å; W144-I187 HydrophobicContact CZ2-CG1 4.4Å; W144-Q190 HydrophobicContact CD2-CG 3.58Å; W144-Q190 HydrophobicContact CE3-CG 4.09Å; W144-Q190 HydrophobicContact CG-CG 3.98Å; W144-Q190 HydrophobicContact CH2-CG 4.13Å; W144-Q190 HydrophobicContact CZ2-CB 4.39Å; W144-Q190 HydrophobicContact CZ2-CG 3.59Å; W144-Q190 HydrophobicContact CZ3-CG 4.35Å |
| 145 | S | 90.4 | Very high | 85.4 | Confident | 53 Ų | 53 | 92 Ų | 92 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | trans | -73.2 | 157.1 | 169 | 77.3 | 0 | 0 | 0 | 0 | 109.8 | F147 E148 V149 | S145-F147 PolarHBondContact O-N 2.79Å; S145-E148 PolarHBondContact N-OE2 2.96Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 VanDerWaalsContact O-N 3.15Å; S145-E148 WeakPolarHBondContact OG-CG 3.39Å; S145-E148 PolarHBondContact OG-N 2.83Å; S145-E148 VanDerWaalsContact OG-N 3.1Å; S145-V149 WeakPolarHBondContact O-CG2 3.38Å; S145-V149 PolarHBondContact O-N 3.19Å; S145-V149 VanDerWaalsContact O-N 3.11Å | ||
| 146 | Q | 91.5 | Very high | 85.7 | Confident | 158 Ų | 158 | 88.7 Ų | 88.7 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.3 | -40.4 | 175.4 | -177 | 178.9 | -2.8 | 0 | 0 | 111.4 | E148 V149 L150 | Q146-E148 PolarHBondContact O-N 3.2Å; Q146-V149 PolarHBondContact O-N 3.09Å; Q146-L150 HydrophobicContact CG-CD1 4.04Å; Q146-L150 WeakPolarHBondContact O-CG 3.2Å; Q146-L150 PolarHBondContact O-N 3.1Å |
| 147 | F | 93.1 | Very high | 86.2 | Confident | 121 Ų | 121 | 81.1 Ų | 81.1 | 53% | 0.531 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 175 | 175.1 | -100.2 | 0 | 0 | 0 | 112.2 | S145 V149 L150 A151 H178 L180 | S145-F147 PolarHBondContact O-N 2.79Å; F147-V149 VanDerWaalsContact C-N 3.33Å; F147-V149 PolarHBondContact O-N 3.09Å; F147-L150 PolarHBondContact O-N 3.45Å; F147-A151 WeakPolarHBondContact O-CB 3.45Å; F147-A151 PolarHBondContact O-N 2.85Å; F147-H178 AromaticContact CZ-ND1 3.69Å; F147-L180 HydrophobicContact CD1-CD1 4.43Å; F147-L180 HydrophobicContact CE1-CD1 4.11Å |
| 148 | E | 92.9 | Very high | 86.9 | Confident | 21 Ų | 21 | 80.9 Ų | 80.9 | 10% | 0.098 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 179.7 | -70.8 | 173.1 | -179.7 | 0 | 0 | 112.7 | W144 S145 Q146 L152 L180 R182 | W144-E148 WeakPolarHBondContact CA-OE2 3.47Å; W144-E148 HydrophobicContact CE3-CB 3.69Å; W144-E148 HydrophobicContact CZ3-CB 4.19Å; S145-E148 PolarHBondContact N-OE2 2.96Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 VanDerWaalsContact O-N 3.15Å; S145-E148 WeakPolarHBondContact OG-CG 3.39Å; S145-E148 PolarHBondContact OG-N 2.83Å; S145-E148 VanDerWaalsContact OG-N 3.1Å; Q146-E148 PolarHBondContact O-N 3.2Å; E148-L152 WeakPolarHBondContact O-CB 3.49Å; E148-L152 PolarHBondContact O-N 2.96Å; E148-L180 HydrophobicContact CB-CD1 4.42Å; E148-L180 HydrophobicContact CG-CD1 3.74Å; E148-L180 HydrophobicContact CG-CD2 4.08Å; E148-R182 IonicContact OE1-CZ 3.37Å; E148-R182 IonicContact OE1-NE 3.04Å; E148-R182 IonicContact OE1-NH2 3.44Å; E148-R182 PolarHBondContact OE1-NH2 2.9Å; E148-R182 IonicContact OE2-CZ 3.67Å; E148-R182 VanDerWaalsContact OE2-CZ 3.29Å; E148-R182 IonicContact OE2-NE 3.61Å; E148-R182 PolarHBondContact OE2-NE 3.32Å; E148-R182 IonicContact OE2-NH2 3.29Å; E148-R182 PolarHBondContact OE2-NH2 2.86Å |
| 149 | V | 93.3 | Very high | 87.6 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 176.7 | 177 | 0 | 0 | 0 | 0 | 110.4 | W144 S145 Q146 F147 A153 Y196 L199 | W144-V149 HydrophobicContact CB-CG2 3.77Å; W144-V149 HydrophobicContact CE3-CG2 4.26Å; W144-V149 HydrophobicContact CG-CG2 4.48Å; S145-V149 WeakPolarHBondContact O-CG2 3.38Å; S145-V149 PolarHBondContact O-N 3.19Å; S145-V149 VanDerWaalsContact O-N 3.11Å; Q146-V149 PolarHBondContact O-N 3.09Å; F147-V149 VanDerWaalsContact C-N 3.33Å; F147-V149 PolarHBondContact O-N 3.09Å; V149-A153 WeakPolarHBondContact O-CB 3.4Å; V149-A153 PolarHBondContact O-N 3.15Å; V149-Y196 HydrophobicContact CG1-CD2 4.04Å; V149-L199 HydrophobicContact CG1-CD2 3.9Å |
| 150 | L | 93.7 | Very high | 88 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.5 | -49.6 | 177.4 | -75.1 | 166 | 0 | 0 | 0 | 111.5 | Q146 F147 L152 A153 T154 L199 | Q146-L150 HydrophobicContact CG-CD1 4.04Å; Q146-L150 WeakPolarHBondContact O-CG 3.2Å; Q146-L150 PolarHBondContact O-N 3.1Å; F147-L150 PolarHBondContact O-N 3.45Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.18Å; L150-A153 PolarHBondContact O-N 2.87Å; L150-A153 VanDerWaalsContact O-N 3.07Å; L150-T154 PolarHBondContact O-N 2.72Å; L150-T154 PolarHBondContact O-OG1 3.24Å; L150-T154 VanDerWaalsContact O-OG1 3.1Å; L150-L199 HydrophobicContact CD2-CD1 3.81Å; L150-L199 HydrophobicContact CD2-CD2 3.9Å; L150-L199 HydrophobicContact CD2-CG 4.3Å |
| 151 | A | 92.5 | Very high | 88.1 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.8 | -47.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F147 A153 T154 L155 L174 | F147-A151 WeakPolarHBondContact O-CB 3.45Å; F147-A151 PolarHBondContact O-N 2.85Å; A151-A153 VanDerWaalsContact C-N 3.34Å; A151-A153 PolarHBondContact O-N 3.46Å; A151-T154 PolarHBondContact O-N 3.13Å; A151-L155 VanDerWaalsContact O-CG 3.26Å; A151-L155 WeakPolarHBondContact O-CG 3.26Å; A151-L155 PolarHBondContact O-N 3.21Å; A151-L155 VanDerWaalsContact O-N 3.1Å; A151-L174 HydrophobicContact CB-CD2 4.05Å |
| 152 | L | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 176.7 | -176.9 | 72.7 | 0 | 0 | 0 | 111.7 | W144 E148 L150 L155 E156 L170 L174 I187 Q190 Y196 | W144-L152 HydrophobicContact CH2-CD2 3.83Å; W144-L152 HydrophobicContact CZ3-CB 4.28Å; W144-L152 HydrophobicContact CZ3-CD2 3.89Å; E148-L152 WeakPolarHBondContact O-CB 3.49Å; E148-L152 PolarHBondContact O-N 2.96Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.18Å; L152-L155 PolarHBondContact O-N 2.85Å; L152-E156 PolarHBondContact O-N 3.31Å; L152-L170 HydrophobicContact CD1-CB 3.85Å; L152-L170 HydrophobicContact CD1-CD1 4.08Å; L152-L170 HydrophobicContact CD1-CD2 4.17Å; L152-L170 HydrophobicContact CD1-CG 4.26Å; L152-L174 HydrophobicContact CB-CD1 4.24Å; L152-L174 HydrophobicContact CB-CD2 4.31Å; L152-L174 HydrophobicContact CD1-CD1 3.43Å; L152-L174 VanDerWaalsContact CD1-CD1 3.43Å; L152-L174 HydrophobicContact CD1-CG 4.03Å; L152-L174 HydrophobicContact CG-CD1 4.36Å; L152-I187 HydrophobicContact CD1-CG1 4.22Å; L152-I187 HydrophobicContact CD1-CG2 3.79Å; L152-I187 HydrophobicContact CD2-CG2 4.17Å; L152-Q190 HydrophobicContact CD2-CB 4.03Å; L152-Y196 HydrophobicContact CB-CE2 4.16Å; L152-Y196 HydrophobicContact CD2-CE2 3.67Å; L152-Y196 HydrophobicContact CG-CE2 3.91Å; L152-Y196 WeakPolarHBondContact CG-OH 3.21Å; L152-Y196 PolarHBondContact O-OH 3.22Å |
| 153 | A | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V149 L150 A151 E156 A157 Y196 L199 V200 I203 | V149-A153 WeakPolarHBondContact O-CB 3.4Å; V149-A153 PolarHBondContact O-N 3.15Å; L150-A153 PolarHBondContact O-N 2.87Å; L150-A153 VanDerWaalsContact O-N 3.07Å; A151-A153 VanDerWaalsContact C-N 3.34Å; A151-A153 PolarHBondContact O-N 3.46Å; A153-E156 PolarHBondContact O-N 3.33Å; A153-A157 WeakPolarHBondContact O-CB 3.4Å; A153-A157 PolarHBondContact O-N 3.03Å; A153-Y196 HydrophobicContact CB-CD2 4.34Å; A153-Y196 HydrophobicContact CB-CE2 3.74Å; A153-L199 HydrophobicContact CB-CD2 3.71Å; A153-L199 HydrophobicContact CB-CG 3.91Å; A153-V200 HydrophobicContact CB-CG2 3.78Å; A153-I203 HydrophobicContact CB-CD1 3.77Å |
| 154 | T | 93.1 | Very high | 87.9 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 175.1 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | L150 A151 E156 A157 E158 | L150-T154 PolarHBondContact O-N 2.72Å; L150-T154 PolarHBondContact O-OG1 3.24Å; L150-T154 VanDerWaalsContact O-OG1 3.1Å; A151-T154 PolarHBondContact O-N 3.13Å; T154-E156 VanDerWaalsContact C-N 3.32Å; T154-E156 PolarHBondContact O-N 3.33Å; T154-A157 WeakPolarHBondContact O-CB 3.43Å; T154-A157 PolarHBondContact O-N 2.94Å; T154-A157 VanDerWaalsContact O-N 3.16Å; T154-E158 WeakPolarHBondContact O-CG 3.39Å; T154-E158 PolarHBondContact O-N 2.73Å |
| 155 | L | 90.5 | Very high | 87.8 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 177 | -63.7 | 173.4 | 0 | 0 | 0 | 112.2 | A151 L152 A157 E158 L159 L170 Q173 L174 K177 | A151-L155 VanDerWaalsContact O-CG 3.26Å; A151-L155 WeakPolarHBondContact O-CG 3.26Å; A151-L155 PolarHBondContact O-N 3.21Å; A151-L155 VanDerWaalsContact O-N 3.1Å; L152-L155 PolarHBondContact O-N 2.85Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-E158 PolarHBondContact O-N 2.9Å; L155-L159 VanDerWaalsContact O-CD1 3.29Å; L155-L159 WeakPolarHBondContact O-CD1 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.4Å; L155-L170 HydrophobicContact CB-CD2 3.72Å; L155-Q173 HydrophobicContact CD1-CB 3.87Å; L155-Q173 HydrophobicContact CD2-CB 4.35Å; L155-L174 HydrophobicContact CD1-CD2 3.83Å; L155-L174 HydrophobicContact CD1-CG 3.95Å; L155-K177 HydrophobicContact CD2-CD 3.42Å; L155-K177 VanDerWaalsContact CD2-CD 3.42Å |
| 156 | E | 90.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 67.9 Ų | 67.9 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.3 | -34.5 | 174.4 | -173 | 166.3 | 177.6 | 0 | 0 | 113 | L152 A153 T154 L159 L170 R191 Y196 V200 | L152-E156 PolarHBondContact O-N 3.31Å; A153-E156 PolarHBondContact O-N 3.33Å; T154-E156 VanDerWaalsContact C-N 3.32Å; T154-E156 PolarHBondContact O-N 3.33Å; E156-L159 PolarHBondContact O-N 3.3Å; E156-L170 HydrophobicContact CB-CD1 4.27Å; E156-L170 HydrophobicContact CB-CD2 4.09Å; E156-L170 HydrophobicContact CG-CD1 4.49Å; E156-R191 IonicContact OE1-CZ 3.22Å; E156-R191 IonicContact OE1-NE 2.94Å; E156-R191 PolarHBondContact OE1-NE 2.89Å; E156-R191 IonicContact OE1-NH2 2.69Å; E156-R191 PolarHBondContact OE1-NH2 2.92Å; E156-R191 WeakPolarHBondContact OE2-CD 3.37Å; E156-R191 WeakPolarHBondContact OE2-CG 3.4Å; E156-R191 IonicContact OE2-CZ 3.82Å; E156-R191 IonicContact OE2-NE 2.86Å; E156-R191 PolarHBondContact OE2-NE 3.29Å; E156-Y196 WeakPolarHBondContact OE2-CE1 3.35Å; E156-Y196 VanDerWaalsContact OE2-CZ 3.25Å; E156-Y196 PolarHBondContact OE2-OH 3.28Å; E156-V200 HydrophobicContact CB-CG2 4.24Å; E156-V200 HydrophobicContact CG-CG1 4.2Å; E156-V200 HydrophobicContact CG-CG2 4.38Å |
| 157 | A | 89.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 62 Ų | 62 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69 | -34 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A153 T154 L155 L159 V200 I203 Q204 | A153-A157 WeakPolarHBondContact O-CB 3.4Å; A153-A157 PolarHBondContact O-N 3.03Å; T154-A157 WeakPolarHBondContact O-CB 3.43Å; T154-A157 PolarHBondContact O-N 2.94Å; T154-A157 VanDerWaalsContact O-N 3.16Å; L155-A157 VanDerWaalsContact C-N 3.34Å; A157-L159 VanDerWaalsContact C-N 3.33Å; A157-V200 HydrophobicContact CB-CG1 4.5Å; A157-I203 HydrophobicContact CB-CB 4.01Å; A157-I203 HydrophobicContact CB-CG2 3.51Å; A157-Q204 HydrophobicContact CB-CG 3.68Å |
| 158 | E | 86.9 | Confident | 87.3 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.1 | -22 | 176.4 | -72.1 | 174.2 | -170.4 | 0 | 0 | 113.3 | T154 L155 P160 K177 | T154-E158 WeakPolarHBondContact O-CG 3.39Å; T154-E158 PolarHBondContact O-N 2.73Å; L155-E158 PolarHBondContact O-N 2.9Å; E158-P160 WeakPolarHBondContact O-CD 3.31Å; E158-K177 IonicContact OE1-NZ 3.9Å; E158-K177 IonicContact OE2-NZ 2.73Å; E158-K177 PolarHBondContact OE2-NZ 2.81Å |
| 159 | L | 85.3 | Confident | 87.2 | Confident | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -75.9 | 131.3 | -174.8 | -81.6 | 157.7 | 0 | 0 | 0 | 112.2 | L155 E156 A157 R161 I163 V169 L170 | L155-L159 VanDerWaalsContact O-CD1 3.29Å; L155-L159 WeakPolarHBondContact O-CD1 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.4Å; E156-L159 PolarHBondContact O-N 3.3Å; A157-L159 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.17Å; L159-I163 HydrophobicContact CB-CD1 4.12Å; L159-I163 HydrophobicContact CD2-CD1 3.29Å; L159-I163 HydrophobicContact CG-CD1 4.32Å; L159-V169 HydrophobicContact CD1-CG1 4.35Å; L159-V169 HydrophobicContact CD2-CG1 3.68Å; L159-L170 HydrophobicContact CD1-CD2 3.48Å; L159-L170 VanDerWaalsContact CD1-CD2 3.48Å; L159-L170 HydrophobicContact CD1-CG 3.89Å |
| 160 | P | 78.7 | Confident | 87 | Confident | 90 Ų | 90 | 59.6 Ų | 59.6 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | trans | -51.7 | 136.7 | 169.4 | -27 | 28.1 | 0 | 0 | 0 | 112.9 | E158 N162 I163 | E158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-N162 PolarHBondContact O-N 3.35Å; P160-I163 HydrophobicContact CB-CD1 3.98Å; P160-I163 HydrophobicContact CB-CG1 4.18Å; P160-I163 VanDerWaalsContact CD-CD1 3.5Å; P160-I163 HydrophobicContact CG-CD1 3.94Å; P160-I163 WeakPolarHBondContact O-CG1 3.29Å; P160-I163 PolarHBondContact O-N 3.4Å | ||
| 161 | R | 74.6 | Confident | 86.9 | Confident | 239 Ų | 239 | 57.8 Ų | 57.8 | 90% | 0.902 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.7 | -176 | -64.5 | -178.7 | -177.6 | 179.6 | 1.4 | 114.4 | L159 | L159-R161 PolarHBondContact O-N 3.17Š|
| 162 | N | 77.1 | Confident | 86.8 | Confident | 157 Ų | 157 | 65.1 Ų | 65.1 | 84% | 0.84 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 29.5 | -172.8 | -159.1 | 9.8 | 0 | 0 | 0 | 114.2 | P160 | P160-N162 PolarHBondContact O-N 3.35Š|
| 163 | I | 78.1 | Confident | 86.7 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | trans | -89.9 | 126.4 | -177.3 | -70.7 | 173.6 | 0 | 0 | 0 | 111.4 | L159 P160 V166 V169 | L159-I163 HydrophobicContact CB-CD1 4.12Å; L159-I163 HydrophobicContact CD2-CD1 3.29Å; L159-I163 HydrophobicContact CG-CD1 4.32Å; P160-I163 HydrophobicContact CB-CD1 3.98Å; P160-I163 HydrophobicContact CB-CG1 4.18Å; P160-I163 VanDerWaalsContact CD-CD1 3.5Å; P160-I163 HydrophobicContact CG-CD1 3.94Å; P160-I163 WeakPolarHBondContact O-CG1 3.29Å; P160-I163 PolarHBondContact O-N 3.4Å; I163-V166 HydrophobicContact CB-CG2 4.45Å; I163-V166 HydrophobicContact CG2-CG2 4.38Å; I163-V166 WeakPolarHBondContact O-CG2 3.27Å; I163-V169 HydrophobicContact CG2-CG2 4.09Å | ||
| 164 | V | 80.5 | Confident | 86.6 | Confident | 118 Ų | 118 | 67.7 Ų | 67.7 | 72% | 0.715 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 146.3 | 167.3 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | V166 | V164-V166 PolarHBondContact O-N 3.1Š|
| 165 | N | 84.8 | Confident | 86.6 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 39.4 | 176.9 | -61 | -29.8 | 0 | 0 | 0 | 115.4 | N167 Q168 V169 | N165-N167 PolarHBondContact O-N 3.43Å; N165-Q168 HydrophobicContact CB-CB 4.42Å; N165-Q168 HydrophobicContact CB-CG 4.5Å; N165-Q168 PolarHBondContact O-N 3.36Å; N165-V169 PolarHBondContact O-N 3.42Å |
| 166 | V | 87.2 | Confident | 86.6 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -43.9 | -41.3 | -179.7 | -174.1 | 0 | 0 | 0 | 0 | 113.7 | I163 V164 Q168 V169 L170 | I163-V166 HydrophobicContact CB-CG2 4.45Å; I163-V166 HydrophobicContact CG2-CG2 4.38Å; I163-V166 WeakPolarHBondContact O-CG2 3.27Å; V164-V166 PolarHBondContact O-N 3.1Å; V166-Q168 PolarHBondContact O-N 3Å; V166-V169 PolarHBondContact O-N 3.37Å; V166-L170 HydrophobicContact CG1-CD1 3.81Å; V166-L170 HydrophobicContact CG1-CG 4.23Å; V166-L170 WeakPolarHBondContact O-CB 3.23Å; V166-L170 WeakPolarHBondContact O-CG 3.45Å; V166-L170 PolarHBondContact O-N 3.23Å |
| 167 | N | 88.6 | Confident | 86.5 | Confident | 34 Ų | 34 | 81 Ų | 81 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66 | -35.1 | -178.7 | -61.1 | -32.2 | 0 | 0 | 0 | 113.6 | N165 S171 V184 R191 | N165-N167 PolarHBondContact O-N 3.43Å; N167-S171 WeakPolarHBondContact O-CB 3.5Å; N167-S171 PolarHBondContact O-N 3.44Å; N167-S171 VanDerWaalsContact O-N 3.1Å; N167-V184 HydrophobicContact CB-CG1 3.56Å; N167-R191 WeakPolarHBondContact OD1-CD 3.47Å; N167-R191 PolarHBondContact OD1-NH1 3.21Å |
| 168 | Q | 90.1 | Very high | 86.5 | Confident | 86 Ų | 86 | 83.5 Ų | 83.5 | 40% | 0.402 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -73 | -38.7 | 177.6 | -66.6 | 178.6 | 5.1 | 0 | 0 | 110.5 | N165 V166 S171 R172 V184 | N165-Q168 HydrophobicContact CB-CB 4.42Å; N165-Q168 HydrophobicContact CB-CG 4.5Å; N165-Q168 PolarHBondContact O-N 3.36Å; V166-Q168 PolarHBondContact O-N 3Å; Q168-S171 WeakPolarHBondContact O-CB 3.46Å; Q168-S171 PolarHBondContact O-N 3.44Å; Q168-R172 PolarHBondContact O-N 2.77Å; Q168-R172 VanDerWaalsContact O-N 3.1Å; Q168-V184 HydrophobicContact CG-CG1 4.36Å; Q168-V184 HydrophobicContact CG-CG2 4.26Å |
| 169 | V | 89.9 | Confident | 86.5 | Confident | 36 Ų | 36 | 81.5 Ų | 81.5 | 22% | 0.218 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | L159 I163 N165 V166 S171 R172 Q173 | L159-V169 HydrophobicContact CD1-CG1 4.35Å; L159-V169 HydrophobicContact CD2-CG1 3.68Å; I163-V169 HydrophobicContact CG2-CG2 4.09Å; N165-V169 PolarHBondContact O-N 3.42Å; V166-V169 PolarHBondContact O-N 3.37Å; V169-S171 VanDerWaalsContact C-N 3.3Å; V169-S171 PolarHBondContact O-N 2.78Å; V169-R172 PolarHBondContact O-N 3.06Å; V169-Q173 HydrophobicContact CG1-CG 4.38Å; V169-Q173 WeakPolarHBondContact O-CG 3.42Å; V169-Q173 PolarHBondContact O-N 3.01Å |
| 170 | L | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 176.2 | -73.5 | 171.3 | 0 | 0 | 0 | 112.7 | L152 L155 E156 L159 V166 L174 I187 | L152-L170 HydrophobicContact CD1-CB 3.85Å; L152-L170 HydrophobicContact CD1-CD1 4.08Å; L152-L170 HydrophobicContact CD1-CD2 4.17Å; L152-L170 HydrophobicContact CD1-CG 4.26Å; L155-L170 HydrophobicContact CB-CD2 3.72Å; E156-L170 HydrophobicContact CB-CD1 4.27Å; E156-L170 HydrophobicContact CB-CD2 4.09Å; E156-L170 HydrophobicContact CG-CD1 4.49Å; L159-L170 HydrophobicContact CD1-CD2 3.48Å; L159-L170 VanDerWaalsContact CD1-CD2 3.48Å; L159-L170 HydrophobicContact CD1-CG 3.89Å; V166-L170 HydrophobicContact CG1-CD1 3.81Å; V166-L170 HydrophobicContact CG1-CG 4.23Å; V166-L170 WeakPolarHBondContact O-CB 3.23Å; V166-L170 WeakPolarHBondContact O-CG 3.45Å; V166-L170 PolarHBondContact O-N 3.23Å; L170-L174 VanDerWaalsContact O-CB 3.26Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 3.37Å; L170-I187 HydrophobicContact CB-CG2 4.17Å; L170-I187 HydrophobicContact CD1-CG2 4.15Å |
| 171 | S | 90.6 | Very high | 87.1 | Confident | 30 Ų | 30 | 82.4 Ų | 82.4 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.9 | -173 | 0 | 0 | 0 | 0 | 111.8 | N167 Q168 V169 F175 R182 I187 | N167-S171 WeakPolarHBondContact O-CB 3.5Å; N167-S171 PolarHBondContact O-N 3.44Å; N167-S171 VanDerWaalsContact O-N 3.1Å; Q168-S171 WeakPolarHBondContact O-CB 3.46Å; Q168-S171 PolarHBondContact O-N 3.44Å; V169-S171 VanDerWaalsContact C-N 3.3Å; V169-S171 PolarHBondContact O-N 2.78Å; S171-F175 PolarHBondContact O-N 3.36Å; S171-R182 PolarHBondContact OG-O 3.05Å; S171-I187 VanDerWaalsContact CA-CD1 3.47Å |
| 172 | R | 91.2 | Very high | 87.8 | Confident | 161 Ų | 161 | 73.8 Ų | 73.8 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67 | -50.1 | 175.9 | -67.2 | 179.3 | -166.2 | 157.8 | 4 | 111.5 | Q168 V169 L174 F175 D176 | Q168-R172 PolarHBondContact O-N 2.77Å; Q168-R172 VanDerWaalsContact O-N 3.1Å; V169-R172 PolarHBondContact O-N 3.06Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 3.46Å; R172-F175 WeakPolarHBondContact O-CA 3.45Å; R172-F175 WeakPolarHBondContact O-CB 3.46Å; R172-F175 PolarHBondContact O-N 3.43Å; R172-D176 PolarHBondContact O-N 3.15Å |
| 173 | Q | 90.4 | Very high | 88.4 | Confident | 53 Ų | 53 | 70.8 Ų | 70.8 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.1 | -35 | -178.7 | -70.8 | -173.1 | 1.1 | 0 | 0 | 113.3 | L155 V169 F175 D176 K177 | L155-Q173 HydrophobicContact CD1-CB 3.87Å; L155-Q173 HydrophobicContact CD2-CB 4.35Å; V169-Q173 HydrophobicContact CG1-CG 4.38Å; V169-Q173 WeakPolarHBondContact O-CG 3.42Å; V169-Q173 PolarHBondContact O-N 3.01Å; Q173-F175 VanDerWaalsContact C-N 3.28Å; Q173-F175 PolarHBondContact O-N 3.46Å; Q173-D176 PolarHBondContact O-N 3.42Å; Q173-K177 WeakPolarHBondContact O-CB 3.44Å; Q173-K177 PolarHBondContact O-N 3.33Å |
| 174 | L | 91.7 | Very high | 89 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 172.6 | -86.6 | 178.8 | 0 | 0 | 0 | 112.1 | A151 L152 L155 L170 R172 H178 G179 L180 I187 | A151-L174 HydrophobicContact CB-CD2 4.05Å; L152-L174 HydrophobicContact CB-CD1 4.24Å; L152-L174 HydrophobicContact CB-CD2 4.31Å; L152-L174 HydrophobicContact CD1-CD1 3.43Å; L152-L174 VanDerWaalsContact CD1-CD1 3.43Å; L152-L174 HydrophobicContact CD1-CG 4.03Å; L152-L174 HydrophobicContact CG-CD1 4.36Å; L155-L174 HydrophobicContact CD1-CD2 3.83Å; L155-L174 HydrophobicContact CD1-CG 3.95Å; L170-L174 VanDerWaalsContact O-CB 3.26Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 3.37Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 3.46Å; L174-H178 CarbonylContact O-C 3.58Å; L174-H178 WeakPolarHBondContact O-CB 3.49Å; L174-H178 PolarHBondContact O-N 3.31Å; L174-G179 PolarHBondContact O-N 2.96Å; L174-L180 CarbonylContact C-O 3.35Å; L174-L180 HydrophobicContact CB-CB 4.48Å; L174-L180 HydrophobicContact CD2-CD1 4.31Å; L174-L180 PolarHBondContact O-N 3.05Å; L174-L180 VanDerWaalsContact O-N 3.09Å; L174-I187 HydrophobicContact CD1-CD1 4.17Å; L174-I187 HydrophobicContact CD1-CG1 4.44Å |
| 175 | F | 91.5 | Very high | 89.4 | Confident | 123 Ų | 123 | 72.6 Ų | 72.6 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.6 | -47.2 | 175 | -177.6 | -100.7 | 0 | 0 | 0 | 111 | S171 R172 Q173 G179 L180 | S171-F175 PolarHBondContact O-N 3.36Å; R172-F175 WeakPolarHBondContact O-CA 3.45Å; R172-F175 WeakPolarHBondContact O-CB 3.46Å; R172-F175 PolarHBondContact O-N 3.43Å; Q173-F175 VanDerWaalsContact C-N 3.28Å; Q173-F175 PolarHBondContact O-N 3.46Å; F175-G179 WeakPolarHBondContact O-CA 3.3Å; F175-G179 PolarHBondContact O-N 2.7Å; F175-L180 PolarHBondContact N-O 2.92Å |
| 176 | D | 90.3 | Very high | 89.7 | Confident | 121 Ų | 121 | 69 Ų | 69 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.1 | -43.8 | -174.3 | -61.8 | -22.8 | 0 | 0 | 0 | 112.7 | R172 Q173 | R172-D176 PolarHBondContact O-N 3.15Å; Q173-D176 PolarHBondContact O-N 3.42Å |
| 177 | K | 89.7 | Confident | 89.9 | Confident | 119 Ų | 119 | 67.4 Ų | 67.4 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -86.7 | -31.8 | -177.3 | -77.1 | -179.7 | 168 | -171.1 | 0 | 113.8 | L155 E158 Q173 | L155-K177 HydrophobicContact CD2-CD 3.42Å; L155-K177 VanDerWaalsContact CD2-CD 3.42Å; E158-K177 IonicContact OE1-NZ 3.9Å; E158-K177 IonicContact OE2-NZ 2.73Å; E158-K177 PolarHBondContact OE2-NZ 2.81Å; Q173-K177 WeakPolarHBondContact O-CB 3.44Å; Q173-K177 PolarHBondContact O-N 3.33Å |
| 178 | H | 88 | Confident | 90 | Very high | 74 Ų | 74 | 71.1 Ų | 71.1 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -124.1 | -2.9 | -171.6 | -60.8 | -69.8 | 0 | 0 | 0 | 114.5 | F147 L174 L180 | F147-H178 AromaticContact CZ-ND1 3.69Å; L174-H178 CarbonylContact O-C 3.58Å; L174-H178 WeakPolarHBondContact O-CB 3.49Å; L174-H178 PolarHBondContact O-N 3.31Å; H178-L180 HydrophobicContact CB-CB 4.43Å; H178-L180 HydrophobicContact CB-CD1 3.68Å; H178-L180 HydrophobicContact CB-CG 3.84Å; H178-L180 PolarHBondContact O-N 2.79Å |
| 179 | G | 88.4 | Confident | 90.1 | Very high | 57 Ų | 57 | 68.7 Ų | 68.7 | 59% | 0.588 | 36% | 0.359 | S | S | * | . | trans | 66.9 | 18.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L174 F175 | L174-G179 PolarHBondContact O-N 2.96Å; F175-G179 WeakPolarHBondContact O-CA 3.3Å; F175-G179 PolarHBondContact O-N 2.7Å | ||
| 180 | L | 87.6 | Confident | 90.2 | Very high | 31 Ų | 31 | 67.5 Ų | 67.5 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | trans | -97.6 | 109.1 | -172.5 | -66.6 | 170.7 | 0 | 0 | 0 | 111.5 | F147 E148 L174 F175 H178 R182 | F147-L180 HydrophobicContact CD1-CD1 4.43Å; F147-L180 HydrophobicContact CE1-CD1 4.11Å; E148-L180 HydrophobicContact CB-CD1 4.42Å; E148-L180 HydrophobicContact CG-CD1 3.74Å; E148-L180 HydrophobicContact CG-CD2 4.08Å; L174-L180 CarbonylContact C-O 3.35Å; L174-L180 HydrophobicContact CB-CB 4.48Å; L174-L180 HydrophobicContact CD2-CD1 4.31Å; L174-L180 PolarHBondContact O-N 3.05Å; L174-L180 VanDerWaalsContact O-N 3.09Å; F175-L180 PolarHBondContact N-O 2.92Å; H178-L180 HydrophobicContact CB-CB 4.43Å; H178-L180 HydrophobicContact CB-CD1 3.68Å; H178-L180 HydrophobicContact CB-CG 3.84Å; H178-L180 PolarHBondContact O-N 2.79Å; L180-R182 PolarHBondContact O-N 2.91Å | ||
| 181 | S | 88.5 | Confident | 90.2 | Very high | 99 Ų | 99 | 70.2 Ų | 70.2 | 69% | 0.692 | 36% | 0.361 | S | S | * | . | trans | -87.2 | 104.4 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 182 | R | 88.4 | Confident | 90.2 | Very high | 58 Ų | 58 | 75.7 Ų | 75.7 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | trans | -123.9 | 135 | 174.8 | -60.9 | -59.4 | -171.5 | -165.8 | 5.8 | 110.2 | R143 W144 E148 S171 L180 I187 | R143-R182 PolarHBondContact O-NH2 3.26Å; W144-R182 HydrophobicContact CH2-CB 4.09Å; W144-R182 HydrophobicContact CH2-CG 3.91Å; W144-R182 HydrophobicContact CZ2-CB 4.32Å; W144-R182 HydrophobicContact CZ2-CG 4.25Å; W144-R182 HydrophobicContact CZ3-CG 4.33Å; E148-R182 IonicContact OE1-CZ 3.37Å; E148-R182 IonicContact OE1-NE 3.04Å; E148-R182 IonicContact OE1-NH2 3.44Å; E148-R182 PolarHBondContact OE1-NH2 2.9Å; E148-R182 IonicContact OE2-CZ 3.67Å; E148-R182 VanDerWaalsContact OE2-CZ 3.29Å; E148-R182 IonicContact OE2-NE 3.61Å; E148-R182 PolarHBondContact OE2-NE 3.32Å; E148-R182 IonicContact OE2-NH2 3.29Å; E148-R182 PolarHBondContact OE2-NH2 2.86Å; S171-R182 PolarHBondContact OG-O 3.05Å; L180-R182 PolarHBondContact O-N 2.91Å; R182-I187 HydrophobicContact CB-CD1 4.35Å; R182-I187 HydrophobicContact CB-CG1 4.21Å | ||
| 183 | N | 90.2 | Very high | 90.3 | Very high | 93 Ų | 93 | 73.1 Ų | 73.1 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -67.5 | 146 | 179.5 | -176.4 | -70.4 | 0 | 0 | 0 | 111.2 | E185 M186 I187 | N183-E185 PolarHBondContact O-N 2.96Å; N183-E185 WeakPolarHBondContact OD1-CB 3.23Å; N183-E185 PolarHBondContact OD1-N 2.87Å; N183-M186 HydrophobicContact CB-CG 4.17Å; N183-M186 HydrophobicContact CB-SD 4.23Å; N183-M186 WeakPolarHBondContact O-CA 3.41Å; N183-M186 WeakPolarHBondContact O-CB 3.18Å; N183-M186 PolarHBondContact O-N 2.97Å; N183-I187 PolarHBondContact O-N 2.75Å; N183-I187 VanDerWaalsContact O-N 3.08Å | ||
| 184 | V | 90.5 | Very high | 90.4 | Very high | 52 Ų | 52 | 76.3 Ų | 76.3 | 32% | 0.315 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -52.4 | -39 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | N167 Q168 I187 K188 | N167-V184 HydrophobicContact CB-CG1 3.56Å; Q168-V184 HydrophobicContact CG-CG1 4.36Å; Q168-V184 HydrophobicContact CG-CG2 4.26Å; V184-I187 PolarHBondContact O-N 2.84Å; V184-K188 WeakPolarHBondContact O-CB 3.47Å; V184-K188 PolarHBondContact O-N 2.9Å |
| 185 | E | 90.4 | Very high | 90.4 | Very high | 155 Ų | 155 | 83.6 Ų | 83.6 | 72% | 0.724 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68 | -35.1 | 177.2 | -67.1 | -178 | 179.1 | 0 | 0 | 112.6 | N183 K188 G189 | N183-E185 PolarHBondContact O-N 2.96Å; N183-E185 WeakPolarHBondContact OD1-CB 3.23Å; N183-E185 PolarHBondContact OD1-N 2.87Å; E185-K188 WeakPolarHBondContact O-CB 3.44Å; E185-K188 PolarHBondContact O-N 2.72Å; E185-G189 PolarHBondContact O-N 3.14Å |
| 186 | M | 91.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 78 Ų | 78 | 16% | 0.163 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 176.5 | -64.5 | 178.8 | 49.7 | 0 | 0 | 111.4 | R143 W144 N183 K188 G189 Q190 | R143-M186 HydrophobicContact CG-CE 3.97Å; R143-M186 PolarHBondContact NE-SD 3.3Å; R143-M186 PolarHBondContact NH2-SD 2.63Å; W144-M186 HydrophobicContact CZ2-CB 4.06Å; W144-M186 HydrophobicContact CZ2-CE 4.29Å; N183-M186 HydrophobicContact CB-CG 4.17Å; N183-M186 HydrophobicContact CB-SD 4.23Å; N183-M186 WeakPolarHBondContact O-CA 3.41Å; N183-M186 WeakPolarHBondContact O-CB 3.18Å; N183-M186 PolarHBondContact O-N 2.97Å; M186-K188 VanDerWaalsContact C-N 3.35Å; M186-G189 WeakPolarHBondContact O-CA 3.36Å; M186-G189 PolarHBondContact O-N 3.45Å; M186-Q190 PolarHBondContact O-N 3.35Å |
| 187 | I | 90.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 174.9 | -67.6 | 168 | 0 | 0 | 0 | 109.2 | W144 L152 L170 S171 L174 R182 N183 V184 G189 Q190 R191 | W144-I187 HydrophobicContact CH2-CG1 4.01Å; W144-I187 HydrophobicContact CZ2-CG1 4.4Å; L152-I187 HydrophobicContact CD1-CG1 4.22Å; L152-I187 HydrophobicContact CD1-CG2 3.79Å; L152-I187 HydrophobicContact CD2-CG2 4.17Å; L170-I187 HydrophobicContact CB-CG2 4.17Å; L170-I187 HydrophobicContact CD1-CG2 4.15Å; S171-I187 VanDerWaalsContact CA-CD1 3.47Å; L174-I187 HydrophobicContact CD1-CD1 4.17Å; L174-I187 HydrophobicContact CD1-CG1 4.44Å; R182-I187 HydrophobicContact CB-CD1 4.35Å; R182-I187 HydrophobicContact CB-CG1 4.21Å; N183-I187 PolarHBondContact O-N 2.75Å; N183-I187 VanDerWaalsContact O-N 3.08Å; V184-I187 PolarHBondContact O-N 2.84Å; I187-G189 PolarHBondContact O-N 3.17Å; I187-Q190 PolarHBondContact O-N 3.06Å; I187-R191 HydrophobicContact CG2-CG 4.31Å; I187-R191 WeakPolarHBondContact O-CG 3.45Å; I187-R191 PolarHBondContact O-N 3.42Å |
| 188 | K | 91.5 | Very high | 90.7 | Very high | 112 Ų | 112 | 78 Ų | 78 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -54.9 | -41.3 | 173.6 | -174.7 | -178.5 | -178 | 180 | 0 | 111.6 | V184 E185 M186 K192 | V184-K188 WeakPolarHBondContact O-CB 3.47Å; V184-K188 PolarHBondContact O-N 2.9Å; E185-K188 WeakPolarHBondContact O-CB 3.44Å; E185-K188 PolarHBondContact O-N 2.72Å; M186-K188 VanDerWaalsContact C-N 3.35Å; K188-K192 WeakPolarHBondContact O-CG 3.48Å; K188-K192 PolarHBondContact O-N 3.11Å |
| 189 | G | 91.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 76.8 Ų | 76.8 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E185 M186 I187 | E185-G189 PolarHBondContact O-N 3.14Å; M186-G189 WeakPolarHBondContact O-CA 3.36Å; M186-G189 PolarHBondContact O-N 3.45Å; I187-G189 PolarHBondContact O-N 3.17Å |
| 190 | Q | 91 | Very high | 91 | Very high | 10 Ų | 10 | 74.5 Ų | 74.5 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 176.1 | -78.8 | -66.5 | 35.2 | 0 | 0 | 113 | W144 L152 M186 I187 K192 K193 Y196 | W144-Q190 HydrophobicContact CD2-CG 3.58Å; W144-Q190 HydrophobicContact CE3-CG 4.09Å; W144-Q190 HydrophobicContact CG-CG 3.98Å; W144-Q190 HydrophobicContact CH2-CG 4.13Å; W144-Q190 HydrophobicContact CZ2-CB 4.39Å; W144-Q190 HydrophobicContact CZ2-CG 3.59Å; W144-Q190 HydrophobicContact CZ3-CG 4.35Å; L152-Q190 HydrophobicContact CD2-CB 4.03Å; M186-Q190 PolarHBondContact O-N 3.35Å; I187-Q190 PolarHBondContact O-N 3.06Å; Q190-K192 PolarHBondContact O-N 3.24Å; Q190-K192 VanDerWaalsContact O-N 3.09Å; Q190-K193 WeakPolarHBondContact O-CB 3.4Å; Q190-K193 PolarHBondContact O-N 3.5Å; Q190-Y196 WeakPolarHBondContact O-CB 3.38Å |
| 191 | R | 91.2 | Very high | 91.2 | Very high | 58 Ų | 58 | 76.1 Ų | 76.1 | 22% | 0.219 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.2 | -21.5 | 179.6 | -65.7 | -179.1 | 69.2 | -145.2 | -1.3 | 114 | E156 N167 I187 Y196 K197 | E156-R191 IonicContact OE1-CZ 3.22Å; E156-R191 IonicContact OE1-NE 2.94Å; E156-R191 PolarHBondContact OE1-NE 2.89Å; E156-R191 IonicContact OE1-NH2 2.69Å; E156-R191 PolarHBondContact OE1-NH2 2.92Å; E156-R191 WeakPolarHBondContact OE2-CD 3.37Å; E156-R191 WeakPolarHBondContact OE2-CG 3.4Å; E156-R191 IonicContact OE2-CZ 3.82Å; E156-R191 IonicContact OE2-NE 2.86Å; E156-R191 PolarHBondContact OE2-NE 3.29Å; N167-R191 WeakPolarHBondContact OD1-CD 3.47Å; N167-R191 PolarHBondContact OD1-NH1 3.21Å; I187-R191 HydrophobicContact CG2-CG 4.31Å; I187-R191 WeakPolarHBondContact O-CG 3.45Å; I187-R191 PolarHBondContact O-N 3.42Å; R191-Y196 HydrophobicContact CB-CD1 4.36Å; R191-Y196 HydrophobicContact CB-CE1 4.08Å; R191-Y196 HydrophobicContact CG-CD1 4.32Å; R191-Y196 HydrophobicContact CG-CE1 3.62Å; R191-K197 VanDerWaalsContact O-CE 3.26Å; R191-K197 WeakPolarHBondContact O-CE 3.27Å |
| 192 | K | 91 | Very high | 91.4 | Very high | 144 Ų | 144 | 75.2 Ų | 75.2 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -26.6 | 174.3 | -76.7 | 177.6 | 177.6 | -169.5 | 0 | 113.4 | K188 Q190 | K188-K192 WeakPolarHBondContact O-CG 3.48Å; K188-K192 PolarHBondContact O-N 3.11Å; Q190-K192 PolarHBondContact O-N 3.24Å; Q190-K192 VanDerWaalsContact O-N 3.09Å |
| 193 | K | 92 | Very high | 91.5 | Very high | 107 Ų | 107 | 74.5 Ų | 74.5 | 47% | 0.465 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -69.9 | 138.6 | -175.2 | -63.5 | -171.3 | -171.8 | 162.6 | 0 | 111.1 | Q190 Y196 K197 | Q190-K193 WeakPolarHBondContact O-CB 3.4Å; Q190-K193 PolarHBondContact O-N 3.5Å; K193-Y196 PolarHBondContact O-N 3.01Å; K193-K197 PolarHBondContact O-N 3.43Å |
| 194 | I | 92.2 | Very high | 91.5 | Very high | 121 Ų | 121 | 73.3 Ų | 73.3 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.8 | -48.6 | -179.5 | -62.6 | 167.7 | 0 | 0 | 0 | 110.5 | Y196 K197 E198 | I194-Y196 PolarHBondContact O-N 2.96Å; I194-Y196 VanDerWaalsContact O-N 3.15Å; I194-K197 WeakPolarHBondContact O-CB 3.22Å; I194-K197 PolarHBondContact O-N 3.24Å; I194-E198 HydrophobicContact CG2-CG 4.35Å; I194-E198 WeakPolarHBondContact CG2-OE1 3.46Å; I194-E198 PolarHBondContact O-N 3.29Å |
| 195 | Q | 91.8 | Very high | 91.4 | Very high | 153 Ų | 153 | 73.6 Ų | 73.6 | 72% | 0.715 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -53.9 | -37.3 | 177.2 | -67 | 178 | -19.6 | 0 | 0 | 113.2 | L199 | Q195-L199 WeakPolarHBondContact O-CB 3.26Å; Q195-L199 PolarHBondContact O-N 3.43Å |
| 196 | Y | 92.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.6 | -40 | 178 | 175 | -86.1 | 0 | 0 | 0 | 111.5 | V149 L152 A153 E156 Q190 R191 K193 I194 L199 V200 | V149-Y196 HydrophobicContact CG1-CD2 4.04Å; L152-Y196 HydrophobicContact CB-CE2 4.16Å; L152-Y196 HydrophobicContact CD2-CE2 3.67Å; L152-Y196 HydrophobicContact CG-CE2 3.91Å; L152-Y196 WeakPolarHBondContact CG-OH 3.21Å; L152-Y196 PolarHBondContact O-OH 3.22Å; A153-Y196 HydrophobicContact CB-CD2 4.34Å; A153-Y196 HydrophobicContact CB-CE2 3.74Å; E156-Y196 WeakPolarHBondContact OE2-CE1 3.35Å; E156-Y196 VanDerWaalsContact OE2-CZ 3.25Å; E156-Y196 PolarHBondContact OE2-OH 3.28Å; Q190-Y196 WeakPolarHBondContact O-CB 3.38Å; R191-Y196 HydrophobicContact CB-CD1 4.36Å; R191-Y196 HydrophobicContact CB-CE1 4.08Å; R191-Y196 HydrophobicContact CG-CD1 4.32Å; R191-Y196 HydrophobicContact CG-CE1 3.62Å; K193-Y196 PolarHBondContact O-N 3.01Å; I194-Y196 PolarHBondContact O-N 2.96Å; I194-Y196 VanDerWaalsContact O-N 3.15Å; Y196-L199 WeakPolarHBondContact O-CB 3.45Å; Y196-L199 PolarHBondContact O-N 2.98Å; Y196-V200 HydrophobicContact CD1-CG2 4.1Å; Y196-V200 HydrophobicContact CE1-CG2 3.52Å; Y196-V200 HydrophobicContact CE2-CG2 4.38Å; Y196-V200 WeakPolarHBondContact O-CG2 3.4Å; Y196-V200 PolarHBondContact O-N 3.28Å |
| 197 | K | 92 | Very high | 90.8 | Very high | 120 Ų | 120 | 72.5 Ų | 72.5 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.3 | -65.8 | 178.1 | -179.2 | -178.8 | 0 | 111.8 | R191 K193 I194 L199 V200 S201 | R191-K197 VanDerWaalsContact O-CE 3.26Å; R191-K197 WeakPolarHBondContact O-CE 3.27Å; K193-K197 PolarHBondContact O-N 3.43Å; I194-K197 WeakPolarHBondContact O-CB 3.22Å; I194-K197 PolarHBondContact O-N 3.24Å; K197-L199 VanDerWaalsContact C-N 3.28Å; K197-L199 PolarHBondContact O-N 3.09Å; K197-V200 PolarHBondContact O-N 3Å; K197-S201 PolarHBondContact O-N 3.15Å; K197-S201 PolarHBondContact O-OG 3.41Å |
| 198 | E | 93.5 | Very high | 90.2 | Very high | 122 Ų | 122 | 75.4 Ų | 75.4 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.4 | -41.7 | 173.7 | -70.4 | 170 | 172.6 | 0 | 0 | 111.2 | I194 S201 S202 | I194-E198 HydrophobicContact CG2-CG 4.35Å; I194-E198 WeakPolarHBondContact CG2-OE1 3.46Å; I194-E198 PolarHBondContact O-N 3.29Å; E198-S201 PolarHBondContact O-N 3.47Å; E198-S202 WeakPolarHBondContact O-CB 3.45Å; E198-S202 PolarHBondContact O-N 3.38Å |
| 199 | L | 92.3 | Very high | 89.8 | Confident | 47 Ų | 47 | 79 Ų | 79 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.8 | -173.9 | 66.5 | 0 | 0 | 0 | 112 | V149 L150 A153 Q195 Y196 K197 S202 I203 | V149-L199 HydrophobicContact CG1-CD2 3.9Å; L150-L199 HydrophobicContact CD2-CD1 3.81Å; L150-L199 HydrophobicContact CD2-CD2 3.9Å; L150-L199 HydrophobicContact CD2-CG 4.3Å; A153-L199 HydrophobicContact CB-CD2 3.71Å; A153-L199 HydrophobicContact CB-CG 3.91Å; Q195-L199 WeakPolarHBondContact O-CB 3.26Å; Q195-L199 PolarHBondContact O-N 3.43Å; Y196-L199 WeakPolarHBondContact O-CB 3.45Å; Y196-L199 PolarHBondContact O-N 2.98Å; K197-L199 VanDerWaalsContact C-N 3.28Å; K197-L199 PolarHBondContact O-N 3.09Å; L199-S202 WeakPolarHBondContact O-CB 3.48Å; L199-S202 PolarHBondContact O-N 2.87Å; L199-I203 HydrophobicContact CG-CD1 4.22Å; L199-I203 VanDerWaalsContact O-CG1 3.31Å; L199-I203 WeakPolarHBondContact O-CG1 3.43Å; L199-I203 PolarHBondContact O-N 3.14Å |
| 200 | V | 91.7 | Very high | 89.1 | Confident | 9 Ų | 9 | 79.9 Ų | 79.9 | 6% | 0.055 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | A153 E156 A157 Y196 K197 S202 I203 Q204 | A153-V200 HydrophobicContact CB-CG2 3.78Å; E156-V200 HydrophobicContact CB-CG2 4.24Å; E156-V200 HydrophobicContact CG-CG1 4.2Å; E156-V200 HydrophobicContact CG-CG2 4.38Å; A157-V200 HydrophobicContact CB-CG1 4.5Å; Y196-V200 HydrophobicContact CD1-CG2 4.1Å; Y196-V200 HydrophobicContact CE1-CG2 3.52Å; Y196-V200 HydrophobicContact CE2-CG2 4.38Å; Y196-V200 WeakPolarHBondContact O-CG2 3.4Å; Y196-V200 PolarHBondContact O-N 3.28Å; K197-V200 PolarHBondContact O-N 3Å; V200-S202 VanDerWaalsContact C-N 3.31Å; V200-S202 PolarHBondContact O-N 3.18Å; V200-I203 PolarHBondContact O-N 3.35Å; V200-Q204 HydrophobicContact CG1-CG 4.39Å; V200-Q204 WeakPolarHBondContact O-CG 3.42Å; V200-Q204 PolarHBondContact O-N 3.18Å |
| 201 | S | 90.5 | Very high | 88.5 | Confident | 65 Ų | 65 | 83.1 Ų | 83.1 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 177.5 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | K197 E198 Q204 S205 | K197-S201 PolarHBondContact O-N 3.15Å; K197-S201 PolarHBondContact O-OG 3.41Å; E198-S201 PolarHBondContact O-N 3.47Å; S201-Q204 PolarHBondContact O-N 2.76Å; S201-S205 WeakPolarHBondContact O-CB 3.32Å; S201-S205 PolarHBondContact O-N 2.69Å; S201-S205 PolarHBondContact O-OG 2.78Å |
| 202 | S | 92.7 | Very high | 87.6 | Confident | 80 Ų | 80 | 84.2 Ų | 84.2 | 56% | 0.559 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | E198 L199 V200 S205 G206 | E198-S202 WeakPolarHBondContact O-CB 3.45Å; E198-S202 PolarHBondContact O-N 3.38Å; L199-S202 WeakPolarHBondContact O-CB 3.48Å; L199-S202 PolarHBondContact O-N 2.87Å; V200-S202 VanDerWaalsContact C-N 3.31Å; V200-S202 PolarHBondContact O-N 3.18Å; S202-S205 PolarHBondContact O-N 3.41Å; S202-G206 PolarHBondContact O-N 3.1Å |
| 203 | I | 91.1 | Very high | 87 | Confident | 44 Ų | 44 | 80 Ų | 80 | 23% | 0.226 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 177.3 | -64.1 | 165.8 | 0 | 0 | 0 | 110.9 | A153 A157 L199 V200 S205 G206 F207 | A153-I203 HydrophobicContact CB-CD1 3.77Å; A157-I203 HydrophobicContact CB-CB 4.01Å; A157-I203 HydrophobicContact CB-CG2 3.51Å; L199-I203 HydrophobicContact CG-CD1 4.22Å; L199-I203 VanDerWaalsContact O-CG1 3.31Å; L199-I203 WeakPolarHBondContact O-CG1 3.43Å; L199-I203 PolarHBondContact O-N 3.14Å; V200-I203 PolarHBondContact O-N 3.35Å; I203-S205 VanDerWaalsContact C-N 3.34Å; I203-S205 PolarHBondContact O-N 2.93Å; I203-G206 PolarHBondContact O-N 3.38Å; I203-F207 PolarHBondContact O-N 3.09Å |
| 204 | Q | 89.6 | Confident | 86.1 | Confident | 67 Ų | 67 | 80.7 Ų | 80.7 | 31% | 0.313 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 177 | -73.6 | 179 | -9.9 | 0 | 0 | 112.3 | A157 V200 S201 G206 F207 S208 | A157-Q204 HydrophobicContact CB-CG 3.68Å; V200-Q204 HydrophobicContact CG1-CG 4.39Å; V200-Q204 WeakPolarHBondContact O-CG 3.42Å; V200-Q204 PolarHBondContact O-N 3.18Å; S201-Q204 PolarHBondContact O-N 2.76Å; Q204-G206 VanDerWaalsContact C-N 3.34Å; Q204-F207 PolarHBondContact O-N 3.39Å; Q204-S208 PolarHBondContact O-N 3.02Å |
| 205 | S | 88.3 | Confident | 85 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | S201 S202 I203 S208 R209 | S201-S205 WeakPolarHBondContact O-CB 3.32Å; S201-S205 PolarHBondContact O-N 2.69Å; S201-S205 PolarHBondContact O-OG 2.78Å; S202-S205 PolarHBondContact O-N 3.41Å; I203-S205 VanDerWaalsContact C-N 3.34Å; I203-S205 PolarHBondContact O-N 2.93Å; S205-S208 PolarHBondContact O-N 3.35Å; S205-R209 WeakPolarHBondContact O-CG 3.35Å; S205-R209 PolarHBondContact O-N 2.93Å; S205-R209 VanDerWaalsContact O-N 3.09Å |
| 206 | G | 87 | Confident | 83.6 | Confident | 37 Ų | 37 | 77.4 Ų | 77.4 | 38% | 0.381 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | S202 I203 Q204 R209 A210 | S202-G206 PolarHBondContact O-N 3.1Å; I203-G206 PolarHBondContact O-N 3.38Å; Q204-G206 VanDerWaalsContact C-N 3.34Å; G206-R209 PolarHBondContact O-N 3.18Å; G206-A210 WeakPolarHBondContact O-CB 3.41Å; G206-A210 PolarHBondContact O-N 3.03Å |
| 207 | F | 82.5 | Confident | 82 | Confident | 128 Ų | 128 | 80.4 Ų | 80.4 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66 | -41.1 | 176.6 | -159.4 | -105.8 | 0 | 0 | 0 | 111.9 | I203 Q204 A210 I211 | I203-F207 PolarHBondContact O-N 3.09Å; Q204-F207 PolarHBondContact O-N 3.39Å; F207-A210 PolarHBondContact O-N 3.34Å; F207-I211 HydrophobicContact CD1-CD1 3.62Å; F207-I211 HydrophobicContact CD1-CG1 4.39Å; F207-I211 HydrophobicContact CE1-CD1 3.55Å; F207-I211 HydrophobicContact CE1-CG1 4.33Å; F207-I211 HydrophobicContact CZ-CD1 4.45Å; F207-I211 WeakPolarHBondContact O-CG1 3.12Å; F207-I211 PolarHBondContact O-N 3.42Å |
| 208 | S | 79.2 | Confident | 80.4 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 43% | 0.427 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 174.1 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | Q204 S205 A210 I211 D212 | Q204-S208 PolarHBondContact O-N 3.02Å; S205-S208 PolarHBondContact O-N 3.35Å; S208-A210 VanDerWaalsContact C-N 3.27Å; S208-A210 PolarHBondContact O-N 2.96Å; S208-I211 PolarHBondContact O-N 2.7Å; S208-I211 VanDerWaalsContact O-N 3.12Å; S208-D212 PolarHBondContact O-N 2.77Å; S208-D212 VanDerWaalsContact O-OD2 3.13Å |
| 209 | R | 81.6 | Confident | 78.5 | Confident | 188 Ų | 188 | 79.8 Ų | 79.8 | 71% | 0.709 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.3 | -36.1 | 178.1 | -70.3 | 178 | -168 | 166.5 | 3.5 | 112.9 | S205 G206 A213 | S205-R209 WeakPolarHBondContact O-CG 3.35Å; S205-R209 PolarHBondContact O-N 2.93Å; S205-R209 VanDerWaalsContact O-N 3.09Å; G206-R209 PolarHBondContact O-N 3.18Å; R209-A213 WeakPolarHBondContact O-CB 3.42Å; R209-A213 PolarHBondContact O-N 2.88Å; R209-A213 VanDerWaalsContact O-N 3.11Å |
| 210 | A | 77.8 | Confident | 76.7 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.9 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G206 F207 S208 L214 | G206-A210 WeakPolarHBondContact O-CB 3.41Å; G206-A210 PolarHBondContact O-N 3.03Å; F207-A210 PolarHBondContact O-N 3.34Å; S208-A210 VanDerWaalsContact C-N 3.27Å; S208-A210 PolarHBondContact O-N 2.96Å; A210-L214 VanDerWaalsContact O-CG 3.31Å; A210-L214 WeakPolarHBondContact O-CG 3.18Å; A210-L214 PolarHBondContact O-N 3.35Å |
| 211 | I | 77.3 | Confident | 74.7 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 173.3 | -68.7 | 169.3 | 0 | 0 | 0 | 110.3 | F207 S208 A213 L214 T215 | F207-I211 HydrophobicContact CD1-CD1 3.62Å; F207-I211 HydrophobicContact CD1-CG1 4.39Å; F207-I211 HydrophobicContact CE1-CD1 3.55Å; F207-I211 HydrophobicContact CE1-CG1 4.33Å; F207-I211 HydrophobicContact CZ-CD1 4.45Å; F207-I211 WeakPolarHBondContact O-CG1 3.12Å; F207-I211 PolarHBondContact O-N 3.42Å; S208-I211 PolarHBondContact O-N 2.7Å; S208-I211 VanDerWaalsContact O-N 3.12Å; I211-A213 VanDerWaalsContact C-N 3.28Å; I211-A213 PolarHBondContact O-N 3.17Å; I211-L214 WeakPolarHBondContact O-CB 3.26Å; I211-L214 PolarHBondContact O-N 2.65Å; I211-T215 PolarHBondContact O-N 2.94Å; I211-T215 PolarHBondContact O-OG1 2.85Å |
| 212 | D | 73.8 | Confident | 72.6 | Confident | 81 Ų | 81 | 92.5 Ų | 92.5 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.7 | -40.3 | -178.5 | -61.9 | -29.4 | 0 | 0 | 0 | 111.4 | S208 L214 T215 E216 | S208-D212 PolarHBondContact O-N 2.77Å; S208-D212 VanDerWaalsContact O-OD2 3.13Å; D212-L214 PolarHBondContact O-N 3.03Å; D212-T215 VanDerWaalsContact CA-OG1 3.31Å; D212-T215 WeakPolarHBondContact CA-OG1 3.12Å; D212-T215 PolarHBondContact O-N 2.8Å; D212-T215 PolarHBondContact O-OG1 3.37Å; D212-E216 PolarHBondContact O-N 3.15Å |
| 213 | A | 77 | Confident | 70.2 | Confident | 56 Ų | 56 | 100.5 Ų | 100.5 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67 | -32.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R209 I211 S217 | R209-A213 WeakPolarHBondContact O-CB 3.42Å; R209-A213 PolarHBondContact O-N 2.88Å; R209-A213 VanDerWaalsContact O-N 3.11Å; I211-A213 VanDerWaalsContact C-N 3.28Å; I211-A213 PolarHBondContact O-N 3.17Å; A213-S217 PolarHBondContact O-N 3.24Å; A213-S217 PolarHBondContact O-OG 2.56Å |
| 214 | L | 73.9 | Confident | 67.9 | Low | 121 Ų | 121 | 101.2 Ų | 101.2 | 63% | 0.634 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.6 | -33.5 | 175.4 | -70 | 170.5 | 0 | 0 | 0 | 111.7 | A210 I211 D212 S217 S218 | A210-L214 VanDerWaalsContact O-CG 3.31Å; A210-L214 WeakPolarHBondContact O-CG 3.18Å; A210-L214 PolarHBondContact O-N 3.35Å; I211-L214 WeakPolarHBondContact O-CB 3.26Å; I211-L214 PolarHBondContact O-N 2.65Å; D212-L214 PolarHBondContact O-N 3.03Å; L214-S217 WeakPolarHBondContact CA-OG 3.33Å; L214-S217 PolarHBondContact O-OG 3.37Å; L214-S217 VanDerWaalsContact O-OG 3.11Å; L214-S218 PolarHBondContact O-N 3.32Å |
| 215 | T | 70.2 | Confident | 65.9 | Low | 62 Ų | 62 | 103.9 Ų | 103.9 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.3 | -44.2 | 175.4 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | I211 D212 S217 S218 E219 | I211-T215 PolarHBondContact O-N 2.94Å; I211-T215 PolarHBondContact O-OG1 2.85Å; D212-T215 VanDerWaalsContact CA-OG1 3.31Å; D212-T215 WeakPolarHBondContact CA-OG1 3.12Å; D212-T215 PolarHBondContact O-N 2.8Å; D212-T215 PolarHBondContact O-OG1 3.37Å; T215-S217 VanDerWaalsContact C-N 3.26Å; T215-S217 PolarHBondContact O-N 2.91Å; T215-S218 PolarHBondContact O-N 2.93Å; T215-S218 PolarHBondContact O-OG 3.44Å; T215-E219 PolarHBondContact O-N 3.35Å |
| 216 | E | 61.5 | Low | 63.6 | Low | 143 Ų | 143 | 105.6 Ų | 105.6 | 67% | 0.668 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.4 | -31.4 | 178.5 | -75.4 | -178.6 | 164.7 | 0 | 0 | 113 | D212 S218 S220 | D212-E216 PolarHBondContact O-N 3.15Å; E216-S218 VanDerWaalsContact C-N 3.34Å; E216-S220 PolarHBondContact O-OG 2.77Å |
| 217 | S | 59.6 | Low | 61.9 | Low | 67 Ų | 67 | 110.9 Ų | 110.9 | 47% | 0.469 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -77.2 | -17.8 | 174.4 | 42.3 | 0 | 0 | 0 | 0 | 113.6 | A213 L214 T215 | A213-S217 PolarHBondContact O-N 3.24Å; A213-S217 PolarHBondContact O-OG 2.56Å; L214-S217 WeakPolarHBondContact CA-OG 3.33Å; L214-S217 PolarHBondContact O-OG 3.37Å; L214-S217 VanDerWaalsContact O-OG 3.11Å; T215-S217 VanDerWaalsContact C-N 3.26Å; T215-S217 PolarHBondContact O-N 2.91Å |
| 218 | S | 57.2 | Low | 60 | Low | 68 Ų | 68 | 110.6 Ų | 110.6 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -91.9 | -28.9 | 175.6 | 71.9 | 0 | 0 | 0 | 0 | 114 | L214 T215 E216 S220 | L214-S218 PolarHBondContact O-N 3.32Å; T215-S218 PolarHBondContact O-N 2.93Å; T215-S218 PolarHBondContact O-OG 3.44Å; E216-S218 VanDerWaalsContact C-N 3.34Å; S218-S220 VanDerWaalsContact C-N 3.32Å; S218-S220 PolarHBondContact O-N 3.44Å |
| 219 | E | 53.9 | Low | 58.4 | Low | 162 Ų | 162 | 112 Ų | 112 | 76% | 0.757 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.4 | -14.3 | -178.6 | -73 | -173.9 | 124.1 | 0 | 0 | 113.7 | T215 | T215-E219 PolarHBondContact O-N 3.35Å |
| 220 | S | 53.6 | Low | 56.6 | Low | 96 Ų | 96 | 109.6 Ų | 109.6 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 7.3 | 179.4 | 35.2 | 0 | 0 | 0 | 0 | 114.5 | E216 S218 | E216-S220 PolarHBondContact O-OG 2.77Å; S218-S220 VanDerWaalsContact C-N 3.32Å; S218-S220 PolarHBondContact O-N 3.44Å |
| 221 | Q | 50.8 | Low | 55 | Low | 169 Ų | 169 | 112.9 Ų | 112.9 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -125.6 | 4.2 | -174.7 | -98 | -174.6 | -15.3 | 0 | 0 | 118.1 | ||
| 222 | V | 46.4 | Very low | 53.3 | Low | 122 Ų | 122 | 113 Ų | 113 | 74% | 0.739 | 69% | 0.691 | S | S | * | * | trans | -130.5 | 73.2 | -172.2 | -164.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 223 | Y | 42.1 | Very low | 51.7 | Low | 248 Ų | 248 | 114.5 Ų | 114.5 | 97% | 0.973 | 71% | 0.708 | S | S | * | * | trans | -124.6 | 84.8 | 149.9 | -136.3 | -89.9 | 0 | 0 | 0 | 106.4 | ||||
| 224 | G | 42.7 | Very low | 50.2 | Low | 59 Ų | 59 | 119.7 Ų | 119.7 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 172.1 | 92.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 225 | S | 48.2 | Very low | 48.5 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | 63.3 | 114 | 146.8 | -57.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 226 | A | 39.9 | Very low | 47.3 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -46.9 | 137.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 227 | T | 50.7 | Low | 46.6 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | trans | -167.9 | 143.5 | 131.3 | 30.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 228 | S | 43.6 | Very low | 46.1 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -73.1 | 125.2 | -175 | 166.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 229 | A | 45.1 | Very low | 45.2 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -163.8 | 114.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 230 | V | 42.6 | Very low | 44.8 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -76.8 | 137.8 | 164.3 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 231 | P | 45.2 | Very low | 44.1 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -136.6 | 148.3 | 135 | 26.5 | -7.7 | 0 | 0 | 0 | 113.6 | ||||
| 232 | A | 41.1 | Very low | 43.8 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | -74.3 | 148.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 233 | S | 40.2 | Very low | 43.7 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | 47.7 | 108.2 | 142.7 | -46.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 234 | L | 45.2 | Very low | 44.2 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -129.6 | 106.4 | 157.7 | -86.1 | 169.1 | 0 | 0 | 0 | 110.5 | ||||
| 235 | D | 38.1 | Very low | 44.2 | Very low | 164 Ų | 164 | 136 Ų | 136 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -68.6 | 115.4 | 155.5 | -77 | -59.2 | 0 | 0 | 0 | 109 | ||||
| 236 | V | 46.1 | Very low | 43.7 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | -146.1 | 108.2 | 163.4 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 237 | L | 45.4 | Very low | 44 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -70.3 | 146.9 | 161 | -70.3 | 165.2 | 0 | 0 | 0 | 109.9 | ||||
| 238 | P | 50.3 | Low | 44.2 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -115.2 | 122.8 | 156.9 | 24.4 | -7.8 | 0 | 0 | 0 | 112.3 | ||||
| 239 | D | 37.2 | Very low | 44.8 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -48.1 | 129.3 | 157 | -86.4 | -55.8 | 0 | 0 | 0 | 111.1 | ||||
| 240 | N | 46.1 | Very low | 44.7 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -121.6 | 85.3 | 166.3 | -93.2 | -30.7 | 0 | 0 | 0 | 109.7 | ||||
| 241 | N | 38.8 | Very low | 45.1 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -86.5 | 103.3 | 156 | -165.2 | 12.5 | 0 | 0 | 0 | 107.1 | ||||
| 242 | R | 44 | Very low | 45.1 | Very low | 227 Ų | 227 | 138 Ų | 138 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -126.1 | 98 | 175.5 | -137.2 | 174.2 | -179.1 | 169.8 | -0.5 | 111 | ||||
| 243 | T | 45.7 | Very low | 45.8 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -36 | 130.6 | 161.7 | -31.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 244 | L | 51.3 | Low | 46.6 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -73.7 | 133.6 | 170.2 | -74.7 | 165 | 0 | 0 | 0 | 110.5 | ||||
| 245 | P | 44 | Very low | 46.8 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | -87.3 | 135.3 | 164.5 | 6.9 | 11.4 | 0 | 0 | 0 | 111 | ||||
| 246 | S | 36.6 | Very low | 47.8 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -90.5 | 112.9 | 170.2 | 155.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 247 | E | 47.1 | Very low | 48.8 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -140.1 | 120.7 | 158.4 | -73.2 | -166.4 | 113 | 0 | 0 | 109.5 | ||||
| 248 | A | 55.2 | Low | 49.6 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -108.8 | 130.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 249 | P | 54.9 | Low | 49.8 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | trans | -92.8 | 131.7 | 166.9 | 32 | -24.8 | 0 | 0 | 0 | 110.2 | ||||
| 250 | A | 43 | Very low | 50.9 | Low | 100 Ų | 100 | 134.1 Ų | 134.1 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -69.7 | 131.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 251 | T | 51.1 | Low | 51.2 | Low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 85% | 0.852 | S | S | * | * | trans | -134.5 | 116.2 | 161.2 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 252 | S | 45.6 | Very low | 51.9 | Low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 85% | 0.854 | S | S | * | * | trans | -56.3 | 136.1 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 253 | S | 55.4 | Low | 52.3 | Low | 125 Ų | 125 | 129.5 Ų | 129.5 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | trans | -131.7 | 121.8 | 161.2 | -114.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 254 | A | 56.9 | Low | 52.6 | Low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 86% | 0.859 | S | S | * | * | trans | -67 | 143 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 255 | A | 49.1 | Very low | 52.7 | Low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 86% | 0.858 | S | S | * | * | trans | -91.7 | 119.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 256 | V | 58.9 | Low | 53.3 | Low | 128 Ų | 128 | 128.4 Ų | 128.4 | 78% | 0.776 | 86% | 0.864 | S | S | * | * | trans | -145.3 | 112.7 | 158.4 | 178.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 257 | L | 68.1 | Low | 54.4 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 90% | 0.895 | 87% | 0.867 | S | S | * | * | trans | -140.2 | 147.5 | 152.8 | -75.5 | -178.1 | 0 | 0 | 0 | 108.5 | ||||
| 258 | P | 62.5 | Low | 54.9 | Low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 87% | 0.865 | S | S | * | * | trans | -92.9 | 166.8 | -158.1 | 9.7 | 11.1 | 0 | 0 | 0 | 113 | ||||
| 259 | A | 53.3 | Low | 54.9 | Low | 98 Ų | 98 | 126.8 Ų | 126.8 | 81% | 0.81 | 87% | 0.87 | S | S | * | * | trans | -72 | 137.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 260 | D | 61.9 | Low | 54.9 | Low | 169 Ų | 169 | 127.5 Ų | 127.5 | 90% | 0.904 | 88% | 0.879 | S | S | * | * | trans | -114 | 129.9 | 157.3 | -89.4 | -45.8 | 0 | 0 | 0 | 108.5 | ||||
| 261 | A | 52.8 | Low | 56 | Low | 173 Ų | 173 | 130 Ų | 130 | 100% | 1.43 | 88% | 0.883 | S | S | * | * | trans | -104.6 | 0 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 261 of 261 residues in 240.5 ms
(Link to these results)