| 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 | 37 | Very low | 34.3 | Very low | 238 Ų | 238 | 141.7 Ų | 141.7 | 100% | 1.172 | 82% | 0.823 | S | S | * | * | 0 | 133 | 0 | -74.5 | 167.8 | 79.7 | 0 | 0 | 107.8 | |||||
| 2 | S | 34.5 | Very low | 34.1 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | 78.4 | 102 | 172.2 | -55.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 3 | A | 35.6 | Very low | 33.9 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -57.3 | 173 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 4 | A | 36.8 | Very low | 33.5 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 81% | 0.812 | S | S | * | * | cis | -169.4 | 176.7 | 9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 5 | W | 27.6 | Very low | 33.2 | Very low | 253 Ų | 253 | 136.1 Ų | 136.1 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | trans | 135.7 | 109.5 | 141.2 | -75.2 | 75.7 | 0 | 0 | 0 | 114.2 | ||||
| 6 | I | 32.9 | Very low | 33.1 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -90.3 | 175 | 167.8 | -70.3 | 168.5 | 0 | 0 | 0 | 107.1 | ||||
| 7 | P | 47.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | cis | -130.4 | 179.8 | -2.1 | 20.6 | 5.9 | 0 | 0 | 0 | 114 | ||||
| 8 | A | 29.4 | Very low | 32.7 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | 136.1 | 150.9 | 103.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 9 | L | 30.9 | Very low | 32.7 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | cis | -163.7 | 141.9 | 8.9 | -141.6 | 90.4 | 0 | 0 | 0 | 105.7 | L11 | L9-L11 HydrophobicContact CD2-CD1 4.06Š| ||
| 10 | S | 33.8 | Very low | 32.5 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -76.8 | 135.3 | 161 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | L | 31.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -161.2 | 128.3 | 151.5 | -107.4 | 150.6 | 0 | 0 | 0 | 109.5 | L9 | L9-L11 HydrophobicContact CD2-CD1 4.06Š| ||
| 12 | G | 31.8 | Very low | 32.3 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -70 | 156.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 13 | V | 32 | Very low | 32.2 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -122.7 | 116 | 161 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | L15 | V13-L15 PolarHBondContact O-N 3.35Š| ||
| 14 | C | 28.3 | Very low | 32 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -57.7 | 110.3 | 168.9 | -158.3 | 0 | 0 | 0 | 0 | 108.8 | L16 | C14-L16 PolarHBondContact O-N 3.01Å; C14-L16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | L | 29.3 | Very low | 32.2 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -76.4 | 97.1 | 167.3 | -112.9 | 92.5 | 0 | 0 | 0 | 107.9 | V13 L17 | V13-L15 PolarHBondContact O-N 3.35Å; L15-L17 PolarHBondContact O-N 3.48Å; L15-L17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | L | 30.9 | Very low | 33.1 | Very low | 150 Ų | 150 | 121.3 Ų | 121.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -58.1 | 112.8 | 164.5 | -78.5 | 155.8 | 0 | 0 | 0 | 108.7 | C14 L18 | C14-L16 PolarHBondContact O-N 3.01Å; C14-L16 VanDerWaalsContact O-N 3.12Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.34Å | ||
| 17 | L | 30.1 | Very low | 34.3 | Very low | 174 Ų | 174 | 118 Ų | 118 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | -62.2 | 92.9 | 162.2 | -78.4 | 159.6 | 0 | 0 | 0 | 108.2 | L15 | L15-L17 PolarHBondContact O-N 3.48Å; L15-L17 VanDerWaalsContact O-N 3.15Å | ||
| 18 | L | 29.2 | Very low | 35.3 | Very low | 151 Ų | 151 | 116.3 Ų | 116.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -73.3 | 127.5 | 159.1 | -70.9 | 169.3 | 0 | 0 | 0 | 107.4 | L16 G20 | L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.34Å; L18-G20 PolarHBondContact O-N 3.42Å | ||
| 19 | P | 32.8 | Very low | 37.7 | Very low | 123 Ų | 123 | 114.2 Ų | 114.2 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -61 | 111.5 | 162.8 | -10.7 | 24.9 | 0 | 0 | 0 | 106.7 | ||||
| 20 | G | 28.9 | Very low | 40.3 | Very low | 60 Ų | 60 | 110.7 Ų | 110.7 | 62% | 0.619 | 73% | 0.725 | S | S | * | * | trans | -54.1 | 143.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | L18 A22 | L18-G20 PolarHBondContact O-N 3.42Å; G20-A22 PolarHBondContact O-N 3.21Å | ||
| 21 | P | 31.9 | Very low | 43 | Very low | 125 Ų | 125 | 109.3 Ų | 109.3 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -58 | 128.5 | -176.2 | 26 | -32.2 | 0 | 0 | 0 | 108.2 | G23 | P21-G23 VanDerWaalsContact C-N 3.29Å; P21-G23 PolarHBondContact O-N 2.89Å | ||
| 22 | A | 33.7 | Very low | 45.7 | Very low | 104 Ų | 104 | 102.9 Ų | 102.9 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -53.7 | 100.2 | 165 | 0 | 0 | 0 | 0 | 0 | 107.3 | G20 S24 | G20-A22 PolarHBondContact O-N 3.21Å; A22-S24 PolarHBondContact O-N 3.03Å | ||
| 23 | G | 30.8 | Very low | 48.4 | Very low | 68 Ų | 68 | 103.3 Ų | 103.3 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | trans | -61.5 | 119.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P21 E25 | P21-G23 VanDerWaalsContact C-N 3.29Å; P21-G23 PolarHBondContact O-N 2.89Å; G23-E25 PolarHBondContact O-N 3.44Å; G23-E25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | S | 31.9 | Very low | 50.9 | Low | 110 Ų | 110 | 97.8 Ų | 97.8 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | trans | -47.6 | 112.2 | -177.5 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | A22 G26 | A22-S24 PolarHBondContact O-N 3.03Å; S24-G26 VanDerWaalsContact C-N 3.27Å; S24-G26 PolarHBondContact O-N 2.96Å | ||
| 25 | E | 41.6 | Very low | 53.5 | Low | 173 Ų | 173 | 96.6 Ų | 96.6 | 81% | 0.808 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -68 | 88.7 | 157.5 | -80.6 | -156.5 | 144.4 | 0 | 0 | 108.5 | G23 | G23-E25 PolarHBondContact O-N 3.44Å; G23-E25 VanDerWaalsContact O-N 3.11Å |
| 26 | G | 45.8 | Very low | 56.1 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | trans | -175.5 | 39.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S24 A28 | S24-G26 VanDerWaalsContact C-N 3.27Å; S24-G26 PolarHBondContact O-N 2.96Å; G26-A28 PolarHBondContact O-N 3.37Å | ||
| 27 | A | 58.4 | Low | 58.8 | Low | 82 Ų | 82 | 85.3 Ų | 85.3 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 123 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 28 | A | 67.6 | Low | 61.5 | Low | 78 Ų | 78 | 77.2 Ų | 77.2 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 141.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G26 I30 | G26-A28 PolarHBondContact O-N 3.37Å; A28-I30 PolarHBondContact O-N 3.13Å |
| 29 | P | 80.7 | Confident | 64.1 | Low | 39 Ų | 39 | 73.3 Ų | 73.3 | 25% | 0.253 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 137.9 | 180 | 23.3 | -31.4 | 0 | 0 | 0 | 111.1 | A31 D47 L49 | P29-A31 PolarHBondContact O-N 3.08Å; P29-D47 CarbonylContact C-O 3.58Å; P29-D47 WeakPolarHBondContact CA-O 3.35Å; P29-D47 HydrophobicContact CB-CB 4.07Å; P29-L49 HydrophobicContact CB-CB 4.28Å |
| 30 | I | 86.4 | Confident | 66.5 | Low | 74 Ų | 74 | 71 Ų | 71 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 117 | 178.9 | -58.1 | 169.8 | 0 | 0 | 0 | 108.2 | A28 I32 D47 V48 L49 | A28-I30 PolarHBondContact O-N 3.13Å; I30-I32 HydrophobicContact CG2-CG2 4.21Å; I30-I32 PolarHBondContact O-N 2.88Å; I30-D47 PolarHBondContact N-O 2.71Å; I30-V48 HydrophobicContact CB-CG1 4.42Å; I30-V48 CarbonylContact O-C 3.59Å; I30-V48 WeakPolarHBondContact O-CA 3.23Å; I30-L49 PolarHBondContact O-N 2.62Å |
| 31 | A | 89 | Confident | 69.1 | Low | 84 Ų | 84 | 69.2 Ų | 69.2 | 69% | 0.694 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 125.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | P29 | P29-A31 PolarHBondContact O-N 3.08Å |
| 32 | I | 88.9 | Confident | 71.2 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 10% | 0.103 | 46% | 0.464 | C | S | . | . | trans | -121.4 | 170.2 | -178.6 | 59.9 | 164.1 | 0 | 0 | 0 | 110.9 | I30 T36 V48 L49 P51 I73 C74 | I30-I32 HydrophobicContact CG2-CG2 4.21Å; I30-I32 PolarHBondContact O-N 2.88Å; I32-T36 HydrophobicContact CB-CG2 4.01Å; I32-T36 HydrophobicContact CG2-CG2 3.89Å; I32-V48 HydrophobicContact CD1-CB 3.84Å; I32-V48 HydrophobicContact CD1-CG1 4.5Å; I32-V48 HydrophobicContact CD1-CG2 3.57Å; I32-V48 HydrophobicContact CG1-CB 4.03Å; I32-V48 HydrophobicContact CG1-CG2 4.22Å; I32-V48 HydrophobicContact CG2-CB 3.94Å; I32-V48 HydrophobicContact CG2-CG1 4Å; I32-L49 WeakPolarHBondContact CG1-O 2.99Å; I32-L49 PolarHBondContact N-O 3.32Å; I32-L49 VanDerWaalsContact N-O 3.12Å; I32-P51 VanDerWaalsContact O-CD 3.31Å; I32-P51 WeakPolarHBondContact O-CD 3.4Å; I32-I73 HydrophobicContact CD1-CB 4.1Å; I32-I73 HydrophobicContact CD1-CD1 4.48Å; I32-I73 HydrophobicContact CD1-CG2 4.1Å; I32-C74 VanDerWaalsContact CD1-SG 3.52Å | ||
| 33 | T | 88.1 | Confident | 73.5 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | trans | -94.6 | 162.5 | 172.3 | 68.4 | 0 | 0 | 0 | 0 | 110.4 | F35 T36 | T33-F35 PolarHBondContact O-N 3.14Å; T33-F35 PolarHBondContact OG1-N 3.02Å; T33-T36 PolarHBondContact N-OG1 3.39Å; T33-T36 PolarHBondContact O-N 3.45Å; T33-T36 PolarHBondContact O-OG1 3.02Å; T33-T36 PolarHBondContact OG1-N 2.95Å; T33-T36 PolarHBondContact OG1-OG1 3.08Å | ||
| 34 | C | 85.2 | Confident | 76.2 | Confident | 17 Ų | 17 | 81 Ų | 81 | 12% | 0.115 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -26.4 | 172.9 | -66.6 | 0 | 0 | 0 | 0 | 113.5 | C54 F59 S72 | C34-C54 VanDerWaalsContact CA-SG 3.57Å; C34-C54 HydrophobicContact CB-CB 3.73Å; C34-C54 WeakPolarHBondContact CB-SG 3.45Å; C34-C54 WeakPolarHBondContact SG-CA 3.17Å; C34-C54 WeakPolarHBondContact SG-CB 3.42Å; C34-C54 CovalentContact SG-SG 2.04Å; C34-C54 PolarHBondContact SG-SG 3.32Å; C34-F59 HydrophobicContact CB-CE1 3.98Å; C34-F59 WeakPolarHBondContact O-CE1 3.43Å; C34-S72 PolarHBondContact O-OG 3.1Å |
| 35 | F | 81.9 | Confident | 79.1 | Confident | 86 Ų | 86 | 80.3 Ų | 80.3 | 38% | 0.377 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 6.4 | -174.2 | -50.4 | -71.5 | 0 | 0 | 0 | 113.8 | T33 R37 P55 E58 | T33-F35 PolarHBondContact O-N 3.14Å; T33-F35 PolarHBondContact OG1-N 3.02Å; F35-R37 PolarHBondContact O-N 3.36Å; F35-P55 HydrophobicContact CE1-CG 4.19Å; F35-P55 HydrophobicContact CZ-CG 3.67Å; F35-E58 HydrophobicContact CE1-CB 3.95Å; F35-E58 HydrophobicContact CZ-CB 4.46Å; F35-E58 WeakPolarHBondContact CZ-OE2 3.26Å |
| 36 | T | 84.3 | Confident | 81.5 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | trans | -66.4 | 125.7 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 109.6 | I32 T33 D40 I73 | I32-T36 HydrophobicContact CB-CG2 4.01Å; I32-T36 HydrophobicContact CG2-CG2 3.89Å; T33-T36 PolarHBondContact N-OG1 3.39Å; T33-T36 PolarHBondContact O-N 3.45Å; T33-T36 PolarHBondContact O-OG1 3.02Å; T33-T36 PolarHBondContact OG1-N 2.95Å; T33-T36 PolarHBondContact OG1-OG1 3.08Å; T36-D40 HydrophobicContact CG2-CB 4.01Å; T36-I73 HydrophobicContact CG2-CD1 4.27Å; T36-I73 PolarHBondContact O-N 3.17Å | ||
| 37 | R | 88.3 | Confident | 83.7 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 21% | 0.211 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -95.8 | 161.4 | -173.9 | -59.6 | 175.5 | -66 | -175.7 | -1.8 | 111.8 | F35 L39 D40 S69 V70 S71 I73 | F35-R37 PolarHBondContact O-N 3.36Å; R37-L39 HydrophobicContact CB-CD2 4.47Å; R37-L39 HydrophobicContact CB-CG 4.05Å; R37-L39 PolarHBondContact O-N 2.84Å; R37-D40 WeakPolarHBondContact CB-OD2 3.42Å; R37-D40 PolarHBondContact N-OD2 2.94Å; R37-D40 IonicContact NE-OD2 2.84Å; R37-D40 IonicContact NH2-OD1 3.86Å; R37-D40 WeakPolarHBondContact O-CB 3.03Å; R37-D40 PolarHBondContact O-N 3.45Å; R37-S69 WeakPolarHBondContact CB-O 3.03Å; R37-V70 WeakPolarHBondContact CD-O 3.44Å; R37-V70 WeakPolarHBondContact CG-O 3.45Å; R37-S71 WeakPolarHBondContact CA-O 3.02Å; R37-I73 WeakPolarHBondContact O-CD1 3.32Å |
| 38 | G | 85.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -53.5 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D40 I41 S69 S71 | G38-D40 PolarHBondContact O-N 2.96Å; G38-I41 PolarHBondContact O-N 2.04Å; G38-S69 CarbonylContact C-O 3.55Å; G38-S69 WeakPolarHBondContact CA-O 3.45Å; G38-S69 PolarHBondContact N-O 3.08Å; G38-S69 VanDerWaalsContact N-O 3.08Å; G38-S71 PolarHBondContact N-O 3.08Å; G38-S71 VanDerWaalsContact N-O 3.16Å |
| 39 | L | 84.9 | Confident | 86.7 | Confident | 69 Ų | 69 | 67 Ų | 67 | 36% | 0.361 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -69.9 | -19.6 | 179.7 | 71 | 87.9 | 0 | 0 | 0 | 113.7 | R37 I41 S69 V70 | R37-L39 HydrophobicContact CB-CD2 4.47Å; R37-L39 HydrophobicContact CB-CG 4.05Å; R37-L39 PolarHBondContact O-N 2.84Å; L39-I41 PolarHBondContact O-N 3.01Å; L39-S69 WeakPolarHBondContact CB-O 3.48Å; L39-S69 PolarHBondContact N-O 3.06Å; L39-V70 HydrophobicContact CD2-CB 4.3Å; L39-V70 HydrophobicContact CD2-CG2 4.48Å |
| 40 | D | 83.1 | Confident | 87.3 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -77 | -13.8 | 178.2 | -57.9 | -43.1 | 0 | 0 | 0 | 111 | T36 R37 G38 | T36-D40 HydrophobicContact CG2-CB 4.01Å; R37-D40 WeakPolarHBondContact CB-OD2 3.42Å; R37-D40 PolarHBondContact N-OD2 2.94Å; R37-D40 IonicContact NE-OD2 2.84Å; R37-D40 IonicContact NH2-OD1 3.86Å; R37-D40 WeakPolarHBondContact O-CB 3.03Å; R37-D40 PolarHBondContact O-N 3.45Å; G38-D40 PolarHBondContact O-N 2.96Å |
| 41 | I | 83.6 | Confident | 87.6 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | trans | -96.4 | 106.1 | 177.6 | -56.4 | -59.2 | 0 | 0 | 0 | 110 | G38 L39 K43 A46 V48 I73 | G38-I41 PolarHBondContact O-N 2.04Å; L39-I41 PolarHBondContact O-N 3.01Å; I41-K43 VanDerWaalsContact C-N 3.27Å; I41-K43 HydrophobicContact CG2-CB 4.43Å; I41-K43 PolarHBondContact O-N 3.33Å; I41-A46 HydrophobicContact CG2-CB 3.48Å; I41-A46 VanDerWaalsContact CG2-CB 3.48Å; I41-V48 HydrophobicContact CD1-CG1 4.02Å; I41-I73 HydrophobicContact CD1-CD1 4.25Å; I41-I73 HydrophobicContact CG1-CD1 3.5Å; I41-I73 VanDerWaalsContact CG1-CD1 3.5Å | ||
| 42 | R | 75.6 | Confident | 87.7 | Confident | 249 Ų | 249 | 62.5 Ų | 62.5 | 94% | 0.94 | 31% | 0.311 | S | S | * | . | trans | -80.7 | -0.4 | -178.6 | -60.9 | -174.1 | 179.8 | -161.4 | -3.1 | 114.9 | ||||
| 43 | K | 82.1 | Confident | 87.6 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -96.5 | 145.9 | -178.9 | -62.4 | -176.9 | 179.5 | -179.1 | 0 | 109.5 | I41 K45 A46 S94 | I41-K43 VanDerWaalsContact C-N 3.27Å; I41-K43 HydrophobicContact CG2-CB 4.43Å; I41-K43 PolarHBondContact O-N 3.33Å; K43-K45 WeakPolarHBondContact CB-O 3.47Å; K43-K45 PolarHBondContact O-N 3.12Å; K43-A46 HydrophobicContact CB-CB 4.45Å; K43-S94 PolarHBondContact O-OG 2.82Å |
| 44 | E | 86.1 | Confident | 87.5 | Confident | 169 Ų | 169 | 60.9 Ų | 60.9 | 79% | 0.79 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -61.7 | -32.8 | 172.5 | -68.1 | -177.2 | 172.9 | 0 | 0 | 111.9 | S94 | E44-S94 PolarHBondContact O-N 2.82Š|
| 45 | K | 92.7 | Very high | 87.4 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 130.9 | 176 | -177.3 | -175.6 | 176.7 | -170.3 | 0 | 109.6 | K43 V92 Y93 | K43-K45 WeakPolarHBondContact CB-O 3.47Å; K43-K45 PolarHBondContact O-N 3.12Å; K45-V92 WeakPolarHBondContact CA-O 3.3Å; K45-Y93 HydrophobicContact CD-CE1 4.01Å; K45-Y93 HydrophobicContact CG-CD1 4.25Å; K45-Y93 HydrophobicContact CG-CE1 4.02Å |
| 46 | A | 92 | Very high | 87.1 | Confident | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 142.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | I41 K43 V48 R91 V92 | I41-A46 HydrophobicContact CG2-CB 3.48Å; I41-A46 VanDerWaalsContact CG2-CB 3.48Å; K43-A46 HydrophobicContact CB-CB 4.45Å; A46-V48 HydrophobicContact CB-CG1 4.43Å; A46-R91 WeakPolarHBondContact O-CA 3.42Å; A46-V92 PolarHBondContact N-O 3.37Å; A46-V92 PolarHBondContact O-N 2.98Å |
| 47 | D | 92.3 | Very high | 86.5 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127 | 163.6 | -73.7 | -62.3 | 0 | 0 | 0 | 108.8 | P29 I30 R91 | P29-D47 CarbonylContact C-O 3.58Å; P29-D47 WeakPolarHBondContact CA-O 3.35Å; P29-D47 HydrophobicContact CB-CB 4.07Å; I30-D47 PolarHBondContact N-O 2.71Å; D47-R91 IonicContact OD1-CZ 3.06Å; D47-R91 IonicContact OD1-NE 2.66Å; D47-R91 PolarHBondContact OD1-NE 2.83Å; D47-R91 IonicContact OD1-NH2 2.71Å; D47-R91 PolarHBondContact OD1-NH2 3.01Å; D47-R91 IonicContact OD2-CZ 3.29Å; D47-R91 VanDerWaalsContact OD2-CZ 3.29Å; D47-R91 IonicContact OD2-NE 3.35Å; D47-R91 PolarHBondContact OD2-NE 2.76Å; D47-R91 IonicContact OD2-NH2 2.62Å; D47-R91 PolarHBondContact OD2-NH2 3.35Å |
| 48 | V | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 156.5 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | I30 I32 I41 A46 I73 P89 V90 V92 | I30-V48 HydrophobicContact CB-CG1 4.42Å; I30-V48 CarbonylContact O-C 3.59Å; I30-V48 WeakPolarHBondContact O-CA 3.23Å; I32-V48 HydrophobicContact CD1-CB 3.84Å; I32-V48 HydrophobicContact CD1-CG1 4.5Å; I32-V48 HydrophobicContact CD1-CG2 3.57Å; I32-V48 HydrophobicContact CG1-CB 4.03Å; I32-V48 HydrophobicContact CG1-CG2 4.22Å; I32-V48 HydrophobicContact CG2-CB 3.94Å; I32-V48 HydrophobicContact CG2-CG1 4Å; I41-V48 HydrophobicContact CD1-CG1 4.02Å; A46-V48 HydrophobicContact CB-CG1 4.43Å; V48-I73 HydrophobicContact CG2-CG2 3.89Å; V48-P89 CarbonylContact O-C 3.56Å; V48-P89 WeakPolarHBondContact O-CA 3.26Å; V48-V90 HydrophobicContact CG2-CB 3.88Å; V48-V90 HydrophobicContact CG2-CG1 4.45Å; V48-V90 WeakPolarHBondContact CG2-O 3.31Å; V48-V90 PolarHBondContact N-O 3.43Å; V48-V90 PolarHBondContact O-N 3.35Å; V48-V92 HydrophobicContact CG1-CG2 4.35Å; V48-V92 HydrophobicContact CG2-CG2 3.93Å |
| 49 | L | 95.3 | Very high | 85.3 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 111.3 | 176.7 | -173.3 | 67.6 | 0 | 0 | 0 | 109.4 | P29 I30 I32 P89 | P29-L49 HydrophobicContact CB-CB 4.28Å; I30-L49 PolarHBondContact O-N 2.62Å; I32-L49 WeakPolarHBondContact CG1-O 2.99Å; I32-L49 PolarHBondContact N-O 3.32Å; I32-L49 VanDerWaalsContact N-O 3.12Å; L49-P89 HydrophobicContact CD1-CB 4.25Å |
| 50 | C | 94.4 | Very high | 85.2 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.4 | 175.9 | -77.4 | 0 | 0 | 0 | 0 | 110.8 | C74 I83 G87 G88 | C50-C74 VanDerWaalsContact CA-SG 3.56Å; C50-C74 HydrophobicContact CB-CB 3.88Å; C50-C74 WeakPolarHBondContact CB-SG 3.33Å; C50-C74 WeakPolarHBondContact SG-CA 3.25Å; C50-C74 WeakPolarHBondContact SG-CB 3.38Å; C50-C74 CovalentContact SG-SG 2.05Å; C50-C74 PolarHBondContact SG-SG 3.29Å; C50-I83 HydrophobicContact CB-CD1 3.59Å; C50-G87 WeakPolarHBondContact O-CA 3.36Å; C50-G88 PolarHBondContact N-O 2.68Å; C50-G88 PolarHBondContact O-N 3.35Å |
| 51 | P | 92.4 | Very high | 85.7 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 156.9 | 174.3 | 30.9 | -33.3 | 0 | 0 | 0 | 110.6 | I32 C54 G87 | I32-P51 VanDerWaalsContact O-CD 3.31Å; I32-P51 WeakPolarHBondContact O-CD 3.4Å; P51-C54 PolarHBondContact O-SG 2.84Å; P51-G87 WeakPolarHBondContact O-CA 3.48Å |
| 52 | G | 90.4 | Very high | 86.2 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -82.6 | 158.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S86 | G52-S86 VanDerWaalsContact CA-O 3.23Å; G52-S86 WeakPolarHBondContact CA-O 3.46Å |
| 53 | G | 87 | Confident | 87 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 75.8 | 32.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N85 | G53-N85 PolarHBondContact N-O 2.96Š|
| 54 | C | 86.4 | Confident | 87.6 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.034 | 30% | 0.299 | C | S | . | . | trans | -71.4 | 143.5 | 177.2 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | C34 P51 L56 F59 N85 | C34-C54 VanDerWaalsContact CA-SG 3.57Å; C34-C54 HydrophobicContact CB-CB 3.73Å; C34-C54 WeakPolarHBondContact CB-SG 3.45Å; C34-C54 WeakPolarHBondContact SG-CA 3.17Å; C34-C54 WeakPolarHBondContact SG-CB 3.42Å; C34-C54 CovalentContact SG-SG 2.04Å; C34-C54 PolarHBondContact SG-SG 3.32Å; P51-C54 PolarHBondContact O-SG 2.84Å; C54-L56 PolarHBondContact O-N 3.22Å; C54-F59 HydrophobicContact CB-CE1 3.78Å; C54-F59 HydrophobicContact CB-CE2 4.14Å; C54-F59 HydrophobicContact CB-CZ 3.23Å; C54-N85 PolarHBondContact N-OD1 2.69Å; C54-N85 VanDerWaalsContact N-OD1 3.1Å; C54-N85 PolarHBondContact O-ND2 3.33Å; C54-N85 VanDerWaalsContact O-ND2 3.14Å; C54-N85 PolarHBondContact O-OD1 3.27Å; C54-N85 VanDerWaalsContact O-OD1 3.08Å | ||
| 55 | P | 82.3 | Confident | 87.9 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | trans | -73.2 | 99.8 | 176.1 | 28.9 | -32.1 | 0 | 0 | 0 | 109.7 | F35 E57 E58 | F35-P55 HydrophobicContact CE1-CG 4.19Å; F35-P55 HydrophobicContact CZ-CG 3.67Å; P55-E57 PolarHBondContact O-N 3.18Å; P55-E58 HydrophobicContact CB-CB 4.21Å; P55-E58 HydrophobicContact CB-CG 4.04Å; P55-E58 HydrophobicContact CG-CB 4.08Å; P55-E58 HydrophobicContact CG-CG 4.25Å; P55-E58 PolarHBondContact O-N 3.5Å; P55-E58 VanDerWaalsContact O-N 3.09Å | ||
| 56 | L | 77.1 | Confident | 88 | Confident | 56 Ų | 56 | 46 Ų | 46 | 29% | 0.293 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -59.1 | -33.4 | -174.3 | -62.1 | 178 | 0 | 0 | 0 | 112.9 | C54 E58 F59 V78 N85 I109 | C54-L56 PolarHBondContact O-N 3.22Å; L56-E58 VanDerWaalsContact C-N 3.27Å; L56-E58 PolarHBondContact O-N 3.39Å; L56-F59 HydrophobicContact CD2-CD2 4.09Å; L56-F59 HydrophobicContact CD2-CE2 3.57Å; L56-F59 PolarHBondContact O-N 3.23Å; L56-V78 HydrophobicContact CD2-CG1 4.1Å; L56-N85 HydrophobicContact CD1-CB 4.44Å; L56-N85 HydrophobicContact CD2-CB 4.27Å; L56-I109 HydrophobicContact CD2-CD1 4.26Å; L56-I109 HydrophobicContact CD2-CG1 4.47Å |
| 57 | E | 70.6 | Confident | 88.3 | Confident | 201 Ų | 201 | 45.7 Ų | 45.7 | 94% | 0.939 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -70.8 | -19.7 | 179.7 | -62.6 | -179.6 | 180 | 0 | 0 | 113.5 | P55 | P55-E57 PolarHBondContact O-N 3.18Š|
| 58 | E | 69.8 | Low | 88.4 | Confident | 127 Ų | 127 | 43.9 Ų | 43.9 | 59% | 0.593 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -95.8 | -0.4 | -177.3 | -63.6 | -176.8 | -173.3 | 0 | 0 | 112.8 | F35 P55 L56 S60 | F35-E58 HydrophobicContact CE1-CB 3.95Å; F35-E58 HydrophobicContact CZ-CB 4.46Å; F35-E58 WeakPolarHBondContact CZ-OE2 3.26Å; P55-E58 HydrophobicContact CB-CB 4.21Å; P55-E58 HydrophobicContact CB-CG 4.04Å; P55-E58 HydrophobicContact CG-CB 4.08Å; P55-E58 HydrophobicContact CG-CG 4.25Å; P55-E58 PolarHBondContact O-N 3.5Å; P55-E58 VanDerWaalsContact O-N 3.09Å; L56-E58 VanDerWaalsContact C-N 3.27Å; L56-E58 PolarHBondContact O-N 3.39Å; E58-S60 PolarHBondContact O-N 2.97Å |
| 59 | F | 79.1 | Confident | 88.4 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | trans | -75.7 | 121.2 | -180 | -69.3 | -33.1 | 0 | 0 | 0 | 112.3 | C34 C54 L56 V61 C74 G75 I109 | C34-F59 HydrophobicContact CB-CE1 3.98Å; C34-F59 WeakPolarHBondContact O-CE1 3.43Å; C54-F59 HydrophobicContact CB-CE1 3.78Å; C54-F59 HydrophobicContact CB-CE2 4.14Å; C54-F59 HydrophobicContact CB-CZ 3.23Å; L56-F59 HydrophobicContact CD2-CD2 4.09Å; L56-F59 HydrophobicContact CD2-CE2 3.57Å; L56-F59 PolarHBondContact O-N 3.23Å; F59-V61 HydrophobicContact CB-CG2 4.06Å; F59-V61 PolarHBondContact O-N 3.11Å; F59-C74 HydrophobicContact CZ-CB 4.36Å; F59-G75 VanDerWaalsContact CD2-CA 3.43Å; F59-I109 HydrophobicContact CD2-CD1 3.69Å; F59-I109 HydrophobicContact CD2-CG1 4.45Å; F59-I109 HydrophobicContact CE2-CD1 4.12Å | ||
| 60 | S | 82.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 42 Ų | 42 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | trans | -80.8 | 106.1 | 162.4 | -45.8 | 0 | 0 | 0 | 0 | 109.1 | E58 S71 S72 | E58-S60 PolarHBondContact O-N 2.97Å; S60-S71 CarbonylContact O-C 3.59Å; S60-S71 WeakPolarHBondContact O-CA 3.36Å; S60-S72 PolarHBondContact O-N 3.19Å | ||
| 61 | V | 93.9 | Very high | 88 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -121.4 | 116.2 | 174.4 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | F59 Y67 H79 I109 S111 Q112 | F59-V61 HydrophobicContact CB-CG2 4.06Å; F59-V61 PolarHBondContact O-N 3.11Å; V61-Y67 HydrophobicContact CG1-CD1 3.54Å; V61-Y67 HydrophobicContact CG1-CE1 3.58Å; V61-H79 HydrophobicContact CG1-CB 4.36Å; V61-I109 HydrophobicContact CB-CG2 4.27Å; V61-I109 HydrophobicContact CG2-CG2 3.97Å; V61-S111 CarbonylContact O-C 3.6Å; V61-S111 VanDerWaalsContact O-CA 3.23Å; V61-S111 WeakPolarHBondContact O-CA 3.18Å; V61-S111 WeakPolarHBondContact O-CB 3.36Å; V61-Q112 PolarHBondContact O-N 3.42Å | ||
| 62 | Y | 93.6 | Very high | 88.2 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -114.5 | 117.2 | 179.3 | -62.1 | -87.1 | 0 | 0 | 0 | 110 | Y67 A68 V70 S71 Q112 L114 | Y62-Y67 CarbonylContact O-C 3.59Å; Y62-Y67 VanDerWaalsContact O-CA 3.24Å; Y62-Y67 WeakPolarHBondContact O-CA 3.4Å; Y62-A68 PolarHBondContact O-N 3.12Å; Y62-V70 HydrophobicContact CD2-CG1 3.66Å; Y62-V70 HydrophobicContact CE2-CG1 4.03Å; Y62-V70 HydrophobicContact CG-CG1 4.43Å; Y62-S71 PolarHBondContact N-OG 3.46Å; Y62-S71 PolarHBondContact O-OG 2.8Å; Y62-Q112 WeakPolarHBondContact CA-O 3.45Å; Y62-Q112 HydrophobicContact CD1-CB 3.52Å; Y62-Q112 HydrophobicContact CE1-CB 3.54Å; Y62-Q112 HydrophobicContact CE1-CG 4.28Å; Y62-Q112 HydrophobicContact CG-CB 4.44Å; Y62-Q112 PolarHBondContact OH-OE1 3.46Å; Y62-L114 HydrophobicContact CD1-CB 3.99Å; Y62-L114 HydrophobicContact CD1-CD2 4.49Å; Y62-L114 HydrophobicContact CG-CB 4.37Å; Y62-L114 HydrophobicContact CG-CD2 4.3Å |
| 63 | G | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | 104 | -179.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y67 S102 S111 Q112 | G63-Y67 WeakPolarHBondContact O-CD1 3.35Å; G63-Y67 VanDerWaalsContact O-CE1 3.32Å; G63-Y67 WeakPolarHBondContact O-CE1 3.49Å; G63-S102 CarbonylContact C-O 3.53Å; G63-S102 WeakPolarHBondContact CA-O 3.29Å; G63-S111 WeakPolarHBondContact O-CB 3.31Å; G63-S111 PolarHBondContact O-OG 3.1Å; G63-Q112 PolarHBondContact N-O 3.04Å |
| 64 | N | 93.4 | Very high | 88.9 | Confident | 53 Ų | 53 | 34.5 Ų | 34.5 | 28% | 0.283 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -140.4 | 136.5 | 178 | 175.9 | 26.8 | 0 | 0 | 0 | 108.2 | V66 V104 | N64-V66 PolarHBondContact O-N 2.63Å; N64-V104 HydrophobicContact CB-CB 4.35Å; N64-V104 HydrophobicContact CB-CG2 3.99Å |
| 65 | I | 92.8 | Very high | 89.2 | Confident | 82 Ų | 82 | 34.2 Ų | 34.2 | 42% | 0.421 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 65.8 | -53.2 | -174.8 | -60.7 | 179.2 | 0 | 0 | 0 | 113.2 | R80 T122 | I65-R80 PolarHBondContact O-NH1 3.09Å; I65-T122 PolarHBondContact O-OG1 3.24Å; I65-T122 VanDerWaalsContact O-OG1 3.13Å |
| 66 | V | 95.9 | Very high | 89.9 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -112.1 | 123.6 | 171 | 177.2 | 0 | 0 | 0 | 0 | 107.7 | N64 L95 S120 | N64-V66 PolarHBondContact O-N 2.63Å; V66-L95 HydrophobicContact CG1-CD1 3.96Å; V66-L95 HydrophobicContact CG2-CD1 3.99Å; V66-S120 VanDerWaalsContact CG1-CB 3.46Å |
| 67 | Y | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141 | -173.7 | -56 | -81.6 | 0 | 0 | 0 | 109.7 | V61 Y62 G63 A76 H79 R80 S120 F121 V123 | V61-Y67 HydrophobicContact CG1-CD1 3.54Å; V61-Y67 HydrophobicContact CG1-CE1 3.58Å; Y62-Y67 CarbonylContact O-C 3.59Å; Y62-Y67 VanDerWaalsContact O-CA 3.24Å; Y62-Y67 WeakPolarHBondContact O-CA 3.4Å; G63-Y67 WeakPolarHBondContact O-CD1 3.35Å; G63-Y67 VanDerWaalsContact O-CE1 3.32Å; G63-Y67 WeakPolarHBondContact O-CE1 3.49Å; Y67-A76 HydrophobicContact CD1-CB 4.09Å; Y67-A76 HydrophobicContact CD2-CB 3.59Å; Y67-A76 HydrophobicContact CE1-CB 4.23Å; Y67-A76 HydrophobicContact CE2-CB 3.73Å; Y67-A76 HydrophobicContact CG-CB 3.75Å; Y67-A76 PolarHBondContact OH-O 3.38Å; Y67-H79 AromaticContact CE1-ND1 3.48Å; Y67-H79 WeakPolarHBondContact CE1-ND1 3.28Å; Y67-H79 AromaticContact CZ-ND1 3.58Å; Y67-H79 PolarHBondContact OH-ND1 3.18Å; Y67-R80 WeakPolarHBondContact OH-CB 3.11Å; Y67-S120 CarbonylContact O-C 3.42Å; Y67-S120 VanDerWaalsContact O-CA 3.22Å; Y67-S120 WeakPolarHBondContact O-CA 3.43Å; Y67-S120 WeakPolarHBondContact O-CB 3.4Å; Y67-F121 HydrophobicContact CD2-CE2 4.46Å; Y67-F121 PolarHBondContact N-O 2.88Å; Y67-F121 WeakPolarHBondContact O-CD1 3.48Å; Y67-F121 PolarHBondContact O-N 3.29Å; Y67-V123 HydrophobicContact CE2-CG2 4.19Å |
| 68 | A | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 141.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y62 V70 S71 Y101 L114 W117 F121 | Y62-A68 PolarHBondContact O-N 3.12Å; A68-V70 HydrophobicContact CB-CG1 4.07Å; A68-V70 PolarHBondContact O-N 3.23Å; A68-S71 WeakPolarHBondContact O-CB 3.19Å; A68-S71 PolarHBondContact O-N 3.42Å; A68-S71 PolarHBondContact O-OG 2.8Å; A68-Y101 HydrophobicContact CB-CD1 4.12Å; A68-Y101 HydrophobicContact CB-CD2 4.25Å; A68-Y101 HydrophobicContact CB-CE1 3.8Å; A68-Y101 HydrophobicContact CB-CE2 3.94Å; A68-Y101 HydrophobicContact CB-CG 4.32Å; A68-Y101 VanDerWaalsContact N-CE1 3.28Å; A68-L114 HydrophobicContact CB-CD2 3.6Å; A68-W117 HydrophobicContact CB-CB 3.99Å; A68-W117 HydrophobicContact CB-CG 4.06Å; A68-F121 WeakPolarHBondContact O-CE1 3.44Å |
| 69 | S | 93.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 6% | 0.056 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -14.7 | -175.1 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | R37 G38 L39 S71 W117 A119 | R37-S69 WeakPolarHBondContact CB-O 3.03Å; G38-S69 CarbonylContact C-O 3.55Å; G38-S69 WeakPolarHBondContact CA-O 3.45Å; G38-S69 PolarHBondContact N-O 3.08Å; G38-S69 VanDerWaalsContact N-O 3.08Å; L39-S69 WeakPolarHBondContact CB-O 3.48Å; L39-S69 PolarHBondContact N-O 3.06Å; S69-S71 PolarHBondContact O-N 3.01Å; S69-W117 PolarHBondContact OG-NE1 3.44Å; S69-A119 WeakPolarHBondContact CB-O 3.26Å; S69-A119 PolarHBondContact N-O 3.15Å; S69-A119 PolarHBondContact OG-O 3.12Å |
| 70 | V | 88.8 | Confident | 94.1 | Very high | 27 Ų | 27 | 18.1 Ų | 18.1 | 16% | 0.164 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.6 | 169.9 | 71.5 | 0 | 0 | 0 | 0 | 114 | R37 L39 Y62 A68 L114 W117 | R37-V70 WeakPolarHBondContact CD-O 3.44Å; R37-V70 WeakPolarHBondContact CG-O 3.45Å; L39-V70 HydrophobicContact CD2-CB 4.3Å; L39-V70 HydrophobicContact CD2-CG2 4.48Å; Y62-V70 HydrophobicContact CD2-CG1 3.66Å; Y62-V70 HydrophobicContact CE2-CG1 4.03Å; Y62-V70 HydrophobicContact CG-CG1 4.43Å; A68-V70 HydrophobicContact CB-CG1 4.07Å; A68-V70 PolarHBondContact O-N 3.23Å; V70-L114 HydrophobicContact CG1-CD2 4.29Å; V70-W117 HydrophobicContact CB-CH2 4.29Å; V70-W117 HydrophobicContact CB-CZ2 3.7Å; V70-W117 HydrophobicContact CG1-CD2 4.37Å; V70-W117 HydrophobicContact CG1-CZ2 4.31Å; V70-W117 HydrophobicContact CG2-CH2 4.35Å; V70-W117 HydrophobicContact CG2-CZ2 4.11Å |
| 71 | S | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -75.1 | 146.4 | 180 | -50.3 | 0 | 0 | 0 | 0 | 112.5 | R37 G38 S60 Y62 A68 S69 I73 | R37-S71 WeakPolarHBondContact CA-O 3.02Å; G38-S71 PolarHBondContact N-O 3.08Å; G38-S71 VanDerWaalsContact N-O 3.16Å; S60-S71 CarbonylContact O-C 3.59Å; S60-S71 WeakPolarHBondContact O-CA 3.36Å; Y62-S71 PolarHBondContact N-OG 3.46Å; Y62-S71 PolarHBondContact O-OG 2.8Å; A68-S71 WeakPolarHBondContact O-CB 3.19Å; A68-S71 PolarHBondContact O-N 3.42Å; A68-S71 PolarHBondContact O-OG 2.8Å; S69-S71 PolarHBondContact O-N 3.01Å; S71-I73 PolarHBondContact O-N 3.21Å |
| 72 | S | 95.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 20 Ų | 20 | 4% | 0.035 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -59.9 | 131.4 | 169.4 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | C34 S60 C74 G75 A76 | C34-S72 PolarHBondContact O-OG 3.1Å; S60-S72 PolarHBondContact O-N 3.19Å; S72-C74 PolarHBondContact OG-N 3.32Å; S72-G75 PolarHBondContact OG-N 3.17Å; S72-A76 WeakPolarHBondContact O-CB 3.03Å; S72-A76 PolarHBondContact O-N 3.21Å |
| 73 | I | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | 176 | -66.6 | 164.3 | 0 | 0 | 0 | 110.7 | I32 T36 R37 I41 V48 S71 A76 A77 V90 V92 F121 V123 | I32-I73 HydrophobicContact CD1-CB 4.1Å; I32-I73 HydrophobicContact CD1-CD1 4.48Å; I32-I73 HydrophobicContact CD1-CG2 4.1Å; T36-I73 HydrophobicContact CG2-CD1 4.27Å; T36-I73 PolarHBondContact O-N 3.17Å; R37-I73 WeakPolarHBondContact O-CD1 3.32Å; I41-I73 HydrophobicContact CD1-CD1 4.25Å; I41-I73 HydrophobicContact CG1-CD1 3.5Å; I41-I73 VanDerWaalsContact CG1-CD1 3.5Å; V48-I73 HydrophobicContact CG2-CG2 3.89Å; S71-I73 PolarHBondContact O-N 3.21Å; I73-A76 PolarHBondContact O-N 3.22Å; I73-A77 VanDerWaalsContact O-CB 3.25Å; I73-A77 WeakPolarHBondContact O-CB 3.35Å; I73-A77 PolarHBondContact O-N 3.01Å; I73-V90 HydrophobicContact CG2-CG1 4.19Å; I73-V92 HydrophobicContact CD1-CG2 4.23Å; I73-V92 HydrophobicContact CG1-CG2 4.43Å; I73-V92 HydrophobicContact CG2-CG2 3.59Å; I73-F121 HydrophobicContact CB-CE2 4.44Å; I73-F121 HydrophobicContact CG1-CE2 3.97Å; I73-F121 HydrophobicContact CG1-CZ 4.11Å; I73-V123 HydrophobicContact CG2-CG1 4.25Å |
| 74 | C | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70 | -40.6 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | I32 C50 F59 S72 A77 V78 | I32-C74 VanDerWaalsContact CD1-SG 3.52Å; C50-C74 VanDerWaalsContact CA-SG 3.56Å; C50-C74 HydrophobicContact CB-CB 3.88Å; C50-C74 WeakPolarHBondContact CB-SG 3.33Å; C50-C74 WeakPolarHBondContact SG-CA 3.25Å; C50-C74 WeakPolarHBondContact SG-CB 3.38Å; C50-C74 CovalentContact SG-SG 2.05Å; C50-C74 PolarHBondContact SG-SG 3.29Å; F59-C74 HydrophobicContact CZ-CB 4.36Å; S72-C74 PolarHBondContact OG-N 3.32Å; C74-A77 PolarHBondContact O-N 3.37Å; C74-V78 WeakPolarHBondContact O-CG2 3.49Å; C74-V78 PolarHBondContact O-N 3.36Å |
| 75 | G | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F59 S72 A77 V78 H79 I109 | F59-G75 VanDerWaalsContact CD2-CA 3.43Å; S72-G75 PolarHBondContact OG-N 3.17Å; G75-A77 VanDerWaalsContact C-N 3.29Å; G75-A77 PolarHBondContact O-N 3.37Å; G75-V78 PolarHBondContact O-N 2.86Å; G75-H79 WeakPolarHBondContact O-CB 3.43Å; G75-H79 PolarHBondContact O-N 2.9Å; G75-I109 VanDerWaalsContact O-CD1 3.31Å; G75-I109 WeakPolarHBondContact O-CD1 3.09Å |
| 76 | A | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -35.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y67 S72 I73 R80 F121 V123 | Y67-A76 HydrophobicContact CD1-CB 4.09Å; Y67-A76 HydrophobicContact CD2-CB 3.59Å; Y67-A76 HydrophobicContact CE1-CB 4.23Å; Y67-A76 HydrophobicContact CE2-CB 3.73Å; Y67-A76 HydrophobicContact CG-CB 3.75Å; Y67-A76 PolarHBondContact OH-O 3.38Å; S72-A76 WeakPolarHBondContact O-CB 3.03Å; S72-A76 PolarHBondContact O-N 3.21Å; I73-A76 PolarHBondContact O-N 3.22Å; A76-R80 WeakPolarHBondContact O-CB 3.41Å; A76-R80 PolarHBondContact O-N 2.8Å; A76-F121 HydrophobicContact CB-CE2 3.82Å; A76-F121 HydrophobicContact CB-CZ 3.82Å; A76-V123 HydrophobicContact CB-CG2 4.48Å |
| 77 | A | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.9 | -38.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I73 C74 G75 G81 V82 I83 V90 V123 | I73-A77 VanDerWaalsContact O-CB 3.25Å; I73-A77 WeakPolarHBondContact O-CB 3.35Å; I73-A77 PolarHBondContact O-N 3.01Å; C74-A77 PolarHBondContact O-N 3.37Å; G75-A77 VanDerWaalsContact C-N 3.29Å; G75-A77 PolarHBondContact O-N 3.37Å; A77-G81 PolarHBondContact O-N 2.95Å; A77-V82 HydrophobicContact CB-CB 4.22Å; A77-V82 WeakPolarHBondContact O-CB 3.44Å; A77-V82 PolarHBondContact O-N 3.06Å; A77-I83 HydrophobicContact CB-CD1 3.88Å; A77-I83 HydrophobicContact CB-CG1 3.71Å; A77-I83 PolarHBondContact O-N 2.83Å; A77-V90 HydrophobicContact CB-CB 4.45Å; A77-V90 HydrophobicContact CB-CG1 3.94Å; A77-V90 HydrophobicContact CB-CG2 3.62Å; A77-V123 HydrophobicContact CB-CG2 4.31Å |
| 78 | V | 95.8 | Very high | 94 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -49.3 | 170.7 | 175 | 0 | 0 | 0 | 0 | 110.4 | L56 C74 G75 R80 G81 I83 N107 I109 | L56-V78 HydrophobicContact CD2-CG1 4.1Å; C74-V78 WeakPolarHBondContact O-CG2 3.49Å; C74-V78 PolarHBondContact O-N 3.36Å; G75-V78 PolarHBondContact O-N 2.86Å; V78-R80 PolarHBondContact O-N 3.22Å; V78-G81 WeakPolarHBondContact O-CA 3.38Å; V78-G81 PolarHBondContact O-N 3.34Å; V78-I83 WeakPolarHBondContact CA-O 3.46Å; V78-I83 HydrophobicContact CG2-CD1 4.24Å; V78-I83 HydrophobicContact CG2-CG1 3.86Å; V78-N107 WeakPolarHBondContact O-CB 3.43Å; V78-I109 HydrophobicContact CB-CD1 3.65Å; V78-I109 HydrophobicContact CG1-CD1 3.6Å; V78-I109 HydrophobicContact CG1-CG1 4.33Å |
| 79 | H | 96.3 | Very high | 94 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.4 | -39.5 | 177.2 | 178.3 | -88.1 | 0 | 0 | 0 | 111.3 | V61 Y67 G75 G81 V104 A106 N107 I109 | V61-H79 HydrophobicContact CG1-CB 4.36Å; Y67-H79 AromaticContact CE1-ND1 3.48Å; Y67-H79 WeakPolarHBondContact CE1-ND1 3.28Å; Y67-H79 AromaticContact CZ-ND1 3.58Å; Y67-H79 PolarHBondContact OH-ND1 3.18Å; G75-H79 WeakPolarHBondContact O-CB 3.43Å; G75-H79 PolarHBondContact O-N 2.9Å; H79-G81 VanDerWaalsContact C-N 3.3Å; H79-G81 PolarHBondContact O-N 3.24Å; H79-V104 PolarHBondContact NE2-O 3.36Å; H79-V104 VanDerWaalsContact NE2-O 3.13Å; H79-A106 WeakPolarHBondContact O-CB 3.33Å; H79-N107 PolarHBondContact O-ND2 3.38Å; H79-I109 HydrophobicContact CB-CB 4.18Å; H79-I109 HydrophobicContact CB-CD1 4.2Å; H79-I109 HydrophobicContact CB-CG2 4.27Å; H79-I109 PolarHBondContact CD2-O 3.29Å; H79-I109 VanDerWaalsContact CD2-O 3.23Å |
| 80 | R | 95.6 | Very high | 94.1 | Very high | 95 Ų | 95 | 24.7 Ų | 24.7 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -9.8 | 176.6 | -165.6 | 54.4 | -171.7 | -90.7 | 9.7 | 114.3 | I65 Y67 A76 V78 V82 V123 | I65-R80 PolarHBondContact O-NH1 3.09Å; Y67-R80 WeakPolarHBondContact OH-CB 3.11Å; A76-R80 WeakPolarHBondContact O-CB 3.41Å; A76-R80 PolarHBondContact O-N 2.8Å; V78-R80 PolarHBondContact O-N 3.22Å; R80-V82 VanDerWaalsContact C-N 3.3Å; R80-V82 HydrophobicContact CB-CG2 3.99Å; R80-V82 HydrophobicContact CG-CG2 3.9Å; R80-V123 HydrophobicContact CB-CG2 4.04Å; R80-V123 HydrophobicContact CG-CG2 4.36Å |
| 81 | G | 94.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 24.9 Ų | 24.9 | 49% | 0.485 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 20.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A77 V78 H79 N107 | A77-G81 PolarHBondContact O-N 2.95Å; V78-G81 WeakPolarHBondContact O-CA 3.38Å; V78-G81 PolarHBondContact O-N 3.34Å; H79-G81 VanDerWaalsContact C-N 3.3Å; H79-G81 PolarHBondContact O-N 3.24Å; G81-N107 PolarHBondContact N-ND2 2.73Å |
| 82 | V | 95.6 | Very high | 94.6 | Very high | 28 Ų | 28 | 24.9 Ų | 24.9 | 17% | 0.17 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -74.5 | -37.2 | 177 | 173 | 0 | 0 | 0 | 0 | 111.2 | A77 R80 V90 V123 T124 K125 | A77-V82 HydrophobicContact CB-CB 4.22Å; A77-V82 WeakPolarHBondContact O-CB 3.44Å; A77-V82 PolarHBondContact O-N 3.06Å; R80-V82 VanDerWaalsContact C-N 3.3Å; R80-V82 HydrophobicContact CB-CG2 3.99Å; R80-V82 HydrophobicContact CG-CG2 3.9Å; V82-V90 HydrophobicContact CG1-CG2 4.46Å; V82-V123 HydrophobicContact CG2-CG2 4.21Å; V82-T124 VanDerWaalsContact CG1-C 3.41Å; V82-T124 WeakPolarHBondContact CG1-O 3.33Å; V82-K125 HydrophobicContact CG1-CB 4.36Å |
| 83 | I | 94.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -133.9 | 163.7 | 172.8 | 61.2 | 175.2 | 0 | 0 | 0 | 109.1 | C50 A77 V78 V90 | C50-I83 HydrophobicContact CB-CD1 3.59Å; A77-I83 HydrophobicContact CB-CD1 3.88Å; A77-I83 HydrophobicContact CB-CG1 3.71Å; A77-I83 PolarHBondContact O-N 2.83Å; V78-I83 WeakPolarHBondContact CA-O 3.46Å; V78-I83 HydrophobicContact CG2-CD1 4.24Å; V78-I83 HydrophobicContact CG2-CG1 3.86Å; I83-V90 HydrophobicContact CD1-CG2 3.87Å; I83-V90 HydrophobicContact CG1-CG2 4.34Å; I83-V90 HydrophobicContact CG2-CG2 3.74Å |
| 84 | S | 92.5 | Very high | 94.5 | Very high | 69 Ų | 69 | 30.8 Ų | 30.8 | 48% | 0.483 | 19% | 0.187 | S | C | . | . | trans | -97.5 | -178.2 | 166 | 70.8 | 0 | 0 | 0 | 0 | 110.3 | S86 G87 | S84-S86 PolarHBondContact O-N 3.05Å; S84-S86 PolarHBondContact OG-N 2.83Å; S84-S86 PolarHBondContact OG-OG 2.66Å; S84-G87 PolarHBondContact O-N 3.48Å; S84-G87 VanDerWaalsContact O-N 3.08Å | ||
| 85 | N | 89.8 | Confident | 94.4 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -1.9 | 176.1 | -158 | 25.5 | 0 | 0 | 0 | 114 | G53 C54 L56 G87 | G53-N85 PolarHBondContact N-O 2.96Å; C54-N85 PolarHBondContact N-OD1 2.69Å; C54-N85 VanDerWaalsContact N-OD1 3.1Å; C54-N85 PolarHBondContact O-ND2 3.33Å; C54-N85 VanDerWaalsContact O-ND2 3.14Å; C54-N85 PolarHBondContact O-OD1 3.27Å; C54-N85 VanDerWaalsContact O-OD1 3.08Å; L56-N85 HydrophobicContact CD1-CB 4.44Å; L56-N85 HydrophobicContact CD2-CB 4.27Å; N85-G87 PolarHBondContact O-N 2.05Å |
| 86 | S | 90.6 | Very high | 94.2 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -6.8 | 168.9 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | G52 S84 | G52-S86 VanDerWaalsContact CA-O 3.23Å; G52-S86 WeakPolarHBondContact CA-O 3.46Å; S84-S86 PolarHBondContact O-N 3.05Å; S84-S86 PolarHBondContact OG-N 2.83Å; S84-S86 PolarHBondContact OG-OG 2.66Å |
| 87 | G | 91.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 39.9 Ų | 39.9 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | trans | 78.9 | -176.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C50 P51 S84 N85 | C50-G87 WeakPolarHBondContact O-CA 3.36Å; P51-G87 WeakPolarHBondContact O-CA 3.48Å; S84-G87 PolarHBondContact O-N 3.48Å; S84-G87 VanDerWaalsContact O-N 3.08Å; N85-G87 PolarHBondContact O-N 2.05Å | ||
| 88 | G | 92.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 46 Ų | 46 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.2 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C50 | C50-G88 PolarHBondContact N-O 2.68Å; C50-G88 PolarHBondContact O-N 3.35Å |
| 89 | P | 94.4 | Very high | 93 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 20% | 0.201 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.9 | -178.6 | 29.6 | -33.9 | 0 | 0 | 0 | 111.1 | V48 L49 G126 | V48-P89 CarbonylContact O-C 3.56Å; V48-P89 WeakPolarHBondContact O-CA 3.26Å; L49-P89 HydrophobicContact CD1-CB 4.25Å; P89-G126 PolarHBondContact O-N 2.8Å |
| 90 | V | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.4 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | V48 I73 A77 V82 I83 V92 V123 | V48-V90 HydrophobicContact CG2-CB 3.88Å; V48-V90 HydrophobicContact CG2-CG1 4.45Å; V48-V90 WeakPolarHBondContact CG2-O 3.31Å; V48-V90 PolarHBondContact N-O 3.43Å; V48-V90 PolarHBondContact O-N 3.35Å; I73-V90 HydrophobicContact CG2-CG1 4.19Å; A77-V90 HydrophobicContact CB-CB 4.45Å; A77-V90 HydrophobicContact CB-CG1 3.94Å; A77-V90 HydrophobicContact CB-CG2 3.62Å; V82-V90 HydrophobicContact CG1-CG2 4.46Å; I83-V90 HydrophobicContact CD1-CG2 3.87Å; I83-V90 HydrophobicContact CG1-CG2 4.34Å; I83-V90 HydrophobicContact CG2-CG2 3.74Å; V90-V92 HydrophobicContact CG1-CG2 4.33Å; V90-V123 HydrophobicContact CG1-CB 3.81Å; V90-V123 HydrophobicContact CG1-CG1 3.82Å |
| 91 | R | 96.2 | Very high | 92.3 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127 | 170.5 | -177.5 | 158.3 | -71.7 | 168 | 6.1 | 109.8 | A46 D47 Y93 V123 T124 | A46-R91 WeakPolarHBondContact O-CA 3.42Å; D47-R91 IonicContact OD1-CZ 3.06Å; D47-R91 IonicContact OD1-NE 2.66Å; D47-R91 PolarHBondContact OD1-NE 2.83Å; D47-R91 IonicContact OD1-NH2 2.71Å; D47-R91 PolarHBondContact OD1-NH2 3.01Å; D47-R91 IonicContact OD2-CZ 3.29Å; D47-R91 VanDerWaalsContact OD2-CZ 3.29Å; D47-R91 IonicContact OD2-NE 3.35Å; D47-R91 PolarHBondContact OD2-NE 2.76Å; D47-R91 IonicContact OD2-NH2 2.62Å; D47-R91 PolarHBondContact OD2-NH2 3.35Å; R91-Y93 WeakPolarHBondContact CD-OH 3.37Å; R91-Y93 HydrophobicContact CG-CD2 4.4Å; R91-Y93 HydrophobicContact CG-CE2 3.69Å; R91-V123 CarbonylContact O-C 3.56Å; R91-V123 VanDerWaalsContact O-CA 3.31Å; R91-V123 WeakPolarHBondContact O-CA 3.36Å; R91-T124 PolarHBondContact N-O 3.4Å; R91-T124 PolarHBondContact O-N 3.49Å |
| 92 | V | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.7 | -176.8 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | K45 A46 V48 I73 V90 F121 V123 | K45-V92 WeakPolarHBondContact CA-O 3.3Å; A46-V92 PolarHBondContact N-O 3.37Å; A46-V92 PolarHBondContact O-N 2.98Å; V48-V92 HydrophobicContact CG1-CG2 4.35Å; V48-V92 HydrophobicContact CG2-CG2 3.93Å; I73-V92 HydrophobicContact CD1-CG2 4.23Å; I73-V92 HydrophobicContact CG1-CG2 4.43Å; I73-V92 HydrophobicContact CG2-CG2 3.59Å; V90-V92 HydrophobicContact CG1-CG2 4.33Å; V92-F121 HydrophobicContact CG1-CB 4.06Å; V92-F121 HydrophobicContact CG1-CD2 3.83Å; V92-F121 HydrophobicContact CG1-CG 4.24Å; V92-V123 HydrophobicContact CG2-CG1 4.35Å |
| 93 | Y | 96.1 | Very high | 91.6 | Very high | 82 Ų | 82 | 56.3 Ų | 56.3 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.6 | 171.4 | -62.7 | -93.7 | 0 | 0 | 0 | 109.3 | K45 R91 F121 T122 T124 | K45-Y93 HydrophobicContact CD-CE1 4.01Å; K45-Y93 HydrophobicContact CG-CD1 4.25Å; K45-Y93 HydrophobicContact CG-CE1 4.02Å; R91-Y93 WeakPolarHBondContact CD-OH 3.37Å; R91-Y93 HydrophobicContact CG-CD2 4.4Å; R91-Y93 HydrophobicContact CG-CE2 3.69Å; Y93-F121 CarbonylContact O-C 3.56Å; Y93-F121 WeakPolarHBondContact O-CA 3.09Å; Y93-F121 WeakPolarHBondContact O-CB 3.44Å; Y93-T122 HydrophobicContact CD2-CG2 4.32Å; Y93-T122 HydrophobicContact CG-CG2 4.47Å; Y93-T122 PolarHBondContact N-O 2.83Å; Y93-T122 PolarHBondContact O-N 3.34Å; Y93-T124 HydrophobicContact CE2-CG2 4.17Å |
| 94 | S | 92.7 | Very high | 91.6 | Very high | 47 Ų | 47 | 57.7 Ų | 57.7 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 141 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | K43 E44 | K43-S94 PolarHBondContact O-OG 2.82Å; E44-S94 PolarHBondContact O-N 2.82Å |
| 95 | L | 93.7 | Very high | 91.6 | Very high | 53 Ų | 53 | 59.3 Ų | 59.3 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 156.9 | -177 | -63.4 | 174.1 | 0 | 0 | 0 | 109.6 | V66 S120 T122 | V66-L95 HydrophobicContact CG1-CD1 3.96Å; V66-L95 HydrophobicContact CG2-CD1 3.99Å; L95-S120 PolarHBondContact N-O 3.1Å; L95-S120 PolarHBondContact O-N 3.29Å; L95-T122 HydrophobicContact CD1-CG2 4.04Å |
| 96 | P | 91.6 | Very high | 91.7 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 154.6 | 168.5 | -24.1 | 34.4 | 0 | 0 | 0 | 112.2 | S120 | P96-S120 WeakPolarHBondContact O-CB 3.22Å; P96-S120 PolarHBondContact O-OG 3.18Å |
| 97 | G | 88.9 | Confident | 91.7 | Very high | 30 Ų | 30 | 58 Ų | 58 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 159.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | W117 S118 | G97-W117 CarbonylContact C-O 3.52Å; G97-W117 WeakPolarHBondContact CA-O 3.49Å; G97-S118 VanDerWaalsContact CA-C 3.43Å; G97-S118 WeakPolarHBondContact CA-O 3.2Å; G97-S118 PolarHBondContact N-O 3.33Å |
| 98 | R | 89.9 | Confident | 91.4 | Very high | 129 Ų | 129 | 60.2 Ų | 60.2 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 159.3 | 179.4 | -62.8 | -177.3 | 177.6 | -167.8 | -2.2 | 110.6 | Y101 W117 | R98-Y101 HydrophobicContact CB-CE1 4.42Å; R98-Y101 HydrophobicContact CB-CE2 4.37Å; R98-Y101 PolarHBondContact N-OH 3.42Å; R98-Y101 VanDerWaalsContact O-CE2 3.28Å; R98-Y101 WeakPolarHBondContact O-CE2 3.29Å; R98-W117 PolarHBondContact N-O 3.31Å; R98-W117 PolarHBondContact O-N 3.1Å |
| 99 | E | 83.9 | Confident | 91.3 | Very high | 134 Ų | 134 | 59.8 Ų | 59.8 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 146.9 | 162.8 | -59.1 | -172.5 | 161.9 | 0 | 0 | 108.6 | S115 R116 | E99-S115 CarbonylContact C-O 2.9Å; E99-S115 WeakPolarHBondContact CA-O 3.31Å; E99-R116 HydrophobicContact CG-CG 4.1Å |
| 100 | N | 85.8 | Confident | 91.2 | Very high | 132 Ų | 132 | 63.4 Ų | 63.4 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.7 | 79.6 | 175 | -56.2 | -39.4 | 0 | 0 | 0 | 115.5 | S115 | N100-S115 PolarHBondContact N-O 3.02Å |
| 101 | Y | 91.4 | Very high | 91 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.4 | 165.6 | -63 | -91.7 | 0 | 0 | 0 | 109.7 | A68 R98 M113 L114 W117 S120 | A68-Y101 HydrophobicContact CB-CD1 4.12Å; A68-Y101 HydrophobicContact CB-CD2 4.25Å; A68-Y101 HydrophobicContact CB-CE1 3.8Å; A68-Y101 HydrophobicContact CB-CE2 3.94Å; A68-Y101 HydrophobicContact CB-CG 4.32Å; A68-Y101 VanDerWaalsContact N-CE1 3.28Å; R98-Y101 HydrophobicContact CB-CE1 4.42Å; R98-Y101 HydrophobicContact CB-CE2 4.37Å; R98-Y101 PolarHBondContact N-OH 3.42Å; R98-Y101 VanDerWaalsContact O-CE2 3.28Å; R98-Y101 WeakPolarHBondContact O-CE2 3.29Å; Y101-M113 VanDerWaalsContact O-CA 3.3Å; Y101-M113 WeakPolarHBondContact O-CA 3.15Å; Y101-L114 HydrophobicContact CD2-CB 3.94Å; Y101-L114 HydrophobicContact CD2-CD2 4.3Å; Y101-L114 HydrophobicContact CD2-CG 4.31Å; Y101-L114 WeakPolarHBondContact CD2-O 3.15Å; Y101-L114 HydrophobicContact CG-CB 4.33Å; Y101-L114 PolarHBondContact N-O 3.47Å; Y101-L114 PolarHBondContact O-N 2.99Å; Y101-W117 HydrophobicContact CE2-CB 3.75Å; Y101-S120 PolarHBondContact OH-OG 3.15Å |
| 102 | S | 86.4 | Confident | 90.7 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 144.6 | -179.6 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | G63 | G63-S102 CarbonylContact C-O 3.53Å; G63-S102 WeakPolarHBondContact CA-O 3.29Å |
| 103 | S | 89.3 | Confident | 90.2 | Very high | 54 Ų | 54 | 73.6 Ų | 73.6 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 132.7 | 174 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | Q110 S111 | S103-Q110 PolarHBondContact OG-NE2 3.48Å; S103-S111 VanDerWaalsContact CB-O 3.29Å; S103-S111 WeakPolarHBondContact CB-O 3.17Å; S103-S111 PolarHBondContact OG-O 3.24Å |
| 104 | V | 94.4 | Very high | 89.6 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | trans | -144.4 | 144.2 | 176 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | N64 H79 A106 S111 | N64-V104 HydrophobicContact CB-CB 4.35Å; N64-V104 HydrophobicContact CB-CG2 3.99Å; H79-V104 PolarHBondContact NE2-O 3.36Å; H79-V104 VanDerWaalsContact NE2-O 3.13Å; V104-A106 HydrophobicContact CG1-CB 4.49Å; V104-S111 PolarHBondContact N-OG 3.17Å; V104-S111 PolarHBondContact O-N 3.4Å; V104-S111 PolarHBondContact O-OG 3.28Å | ||
| 105 | D | 92.9 | Very high | 89 | Confident | 102 Ų | 102 | 73.5 Ų | 73.5 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.1 | 163.8 | -160.4 | -33.4 | 0 | 0 | 0 | 109.1 | ||
| 106 | A | 90.6 | Very high | 88.7 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 20% | 0.198 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 136.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H79 V104 G108 I109 | H79-A106 WeakPolarHBondContact O-CB 3.33Å; V104-A106 HydrophobicContact CG1-CB 4.49Å; A106-G108 PolarHBondContact O-N 2.88Å; A106-I109 PolarHBondContact N-O 2.82Å; A106-I109 PolarHBondContact O-N 3.41Å; A106-I109 VanDerWaalsContact O-N 3.1Å |
| 107 | N | 92.1 | Very high | 88.6 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 54% | 0.54 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 35.7 | 175.4 | -59.3 | -67.3 | 0 | 0 | 0 | 113.8 | V78 H79 G81 | V78-N107 WeakPolarHBondContact O-CB 3.43Å; H79-N107 PolarHBondContact O-ND2 3.38Å; G81-N107 PolarHBondContact N-ND2 2.73Å |
| 108 | G | 84.4 | Confident | 88.5 | Confident | 60 Ų | 60 | 82.1 Ų | 82.1 | 62% | 0.619 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 16.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A106 | A106-G108 PolarHBondContact O-N 2.88Š|
| 109 | I | 89.8 | Confident | 88.6 | Confident | 6 Ų | 6 | 77.6 Ų | 77.6 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.5 | 174.1 | -63.2 | 174.2 | 0 | 0 | 0 | 108.1 | L56 F59 V61 G75 V78 H79 A106 | L56-I109 HydrophobicContact CD2-CD1 4.26Å; L56-I109 HydrophobicContact CD2-CG1 4.47Å; F59-I109 HydrophobicContact CD2-CD1 3.69Å; F59-I109 HydrophobicContact CD2-CG1 4.45Å; F59-I109 HydrophobicContact CE2-CD1 4.12Å; V61-I109 HydrophobicContact CB-CG2 4.27Å; V61-I109 HydrophobicContact CG2-CG2 3.97Å; G75-I109 VanDerWaalsContact O-CD1 3.31Å; G75-I109 WeakPolarHBondContact O-CD1 3.09Å; V78-I109 HydrophobicContact CB-CD1 3.65Å; V78-I109 HydrophobicContact CG1-CD1 3.6Å; V78-I109 HydrophobicContact CG1-CG1 4.33Å; H79-I109 HydrophobicContact CB-CB 4.18Å; H79-I109 HydrophobicContact CB-CD1 4.2Å; H79-I109 HydrophobicContact CB-CG2 4.27Å; H79-I109 PolarHBondContact CD2-O 3.29Å; H79-I109 VanDerWaalsContact CD2-O 3.23Å; A106-I109 PolarHBondContact N-O 2.82Å; A106-I109 PolarHBondContact O-N 3.41Å; A106-I109 VanDerWaalsContact O-N 3.1Å |
| 110 | Q | 91.9 | Very high | 89.1 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.7 | 167.4 | -179 | 69.6 | 26.5 | 0 | 0 | 109.1 | S103 | S103-Q110 PolarHBondContact OG-NE2 3.48Å |
| 111 | S | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 154.8 | 171 | 78.6 | 0 | 0 | 0 | 0 | 111.3 | V61 G63 S103 V104 | V61-S111 CarbonylContact O-C 3.6Å; V61-S111 VanDerWaalsContact O-CA 3.23Å; V61-S111 WeakPolarHBondContact O-CA 3.18Å; V61-S111 WeakPolarHBondContact O-CB 3.36Å; G63-S111 WeakPolarHBondContact O-CB 3.31Å; G63-S111 PolarHBondContact O-OG 3.1Å; S103-S111 VanDerWaalsContact CB-O 3.29Å; S103-S111 WeakPolarHBondContact CB-O 3.17Å; S103-S111 PolarHBondContact OG-O 3.24Å; V104-S111 PolarHBondContact N-OG 3.17Å; V104-S111 PolarHBondContact O-N 3.4Å; V104-S111 PolarHBondContact O-OG 3.28Å |
| 112 | Q | 90.6 | Very high | 90 | Very high | 90 Ų | 90 | 65.9 Ų | 65.9 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -103.9 | 153.4 | -177.7 | -66.2 | 176.8 | 35.4 | 0 | 0 | 111.5 | V61 Y62 G63 | V61-Q112 PolarHBondContact O-N 3.42Å; Y62-Q112 WeakPolarHBondContact CA-O 3.45Å; Y62-Q112 HydrophobicContact CD1-CB 3.52Å; Y62-Q112 HydrophobicContact CE1-CB 3.54Å; Y62-Q112 HydrophobicContact CE1-CG 4.28Å; Y62-Q112 HydrophobicContact CG-CB 4.44Å; Y62-Q112 PolarHBondContact OH-OE1 3.46Å; G63-Q112 PolarHBondContact N-O 3.04Å |
| 113 | M | 84.6 | Confident | 90.5 | Very high | 155 Ų | 155 | 62.8 Ų | 62.8 | 76% | 0.764 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 145.7 | 172 | 65.5 | 179.1 | 179.8 | 0 | 0 | 110.9 | Y101 | Y101-M113 VanDerWaalsContact O-CA 3.3Å; Y101-M113 WeakPolarHBondContact O-CA 3.15Å |
| 114 | L | 83.7 | Confident | 90.8 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 126 | 172.4 | -173.1 | 64.5 | 0 | 0 | 0 | 109.3 | Y62 A68 V70 Y101 W117 | Y62-L114 HydrophobicContact CD1-CB 3.99Å; Y62-L114 HydrophobicContact CD1-CD2 4.49Å; Y62-L114 HydrophobicContact CG-CB 4.37Å; Y62-L114 HydrophobicContact CG-CD2 4.3Å; A68-L114 HydrophobicContact CB-CD2 3.6Å; V70-L114 HydrophobicContact CG1-CD2 4.29Å; Y101-L114 HydrophobicContact CD2-CB 3.94Å; Y101-L114 HydrophobicContact CD2-CD2 4.3Å; Y101-L114 HydrophobicContact CD2-CG 4.31Å; Y101-L114 WeakPolarHBondContact CD2-O 3.15Å; Y101-L114 HydrophobicContact CG-CB 4.33Å; Y101-L114 PolarHBondContact N-O 3.47Å; Y101-L114 PolarHBondContact O-N 2.99Å; L114-W117 HydrophobicContact CD2-CB 3.82Å; L114-W117 HydrophobicContact CD2-CD2 4.24Å; L114-W117 HydrophobicContact CD2-CE3 4.08Å; L114-W117 HydrophobicContact CD2-CG 4.16Å |
| 115 | S | 79.8 | Confident | 90.6 | Very high | 89 Ų | 89 | 68.6 Ų | 68.6 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -40.3 | -172.4 | 54.9 | 0 | 0 | 0 | 0 | 113 | E99 N100 | E99-S115 CarbonylContact C-O 2.9Å; E99-S115 WeakPolarHBondContact CA-O 3.31Å; N100-S115 PolarHBondContact N-O 3.02Å |
| 116 | R | 87.5 | Confident | 90.1 | Very high | 172 Ų | 172 | 64.2 Ų | 64.2 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 143.4 | 179.1 | -174.4 | 174.7 | 69.1 | -177.8 | 1.9 | 111.1 | E99 | E99-R116 HydrophobicContact CG-CG 4.1Å |
| 117 | W | 90 | Very high | 89.4 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 35% | 0.345 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 148.6 | 171.2 | -161.4 | -105.1 | 0 | 0 | 0 | 111.6 | A68 S69 V70 G97 R98 Y101 L114 A119 | A68-W117 HydrophobicContact CB-CB 3.99Å; A68-W117 HydrophobicContact CB-CG 4.06Å; S69-W117 PolarHBondContact OG-NE1 3.44Å; V70-W117 HydrophobicContact CB-CH2 4.29Å; V70-W117 HydrophobicContact CB-CZ2 3.7Å; V70-W117 HydrophobicContact CG1-CD2 4.37Å; V70-W117 HydrophobicContact CG1-CZ2 4.31Å; V70-W117 HydrophobicContact CG2-CH2 4.35Å; V70-W117 HydrophobicContact CG2-CZ2 4.11Å; G97-W117 CarbonylContact C-O 3.52Å; G97-W117 WeakPolarHBondContact CA-O 3.49Å; R98-W117 PolarHBondContact N-O 3.31Å; R98-W117 PolarHBondContact O-N 3.1Å; Y101-W117 HydrophobicContact CE2-CB 3.75Å; L114-W117 HydrophobicContact CD2-CB 3.82Å; L114-W117 HydrophobicContact CD2-CD2 4.24Å; L114-W117 HydrophobicContact CD2-CE3 4.08Å; L114-W117 HydrophobicContact CD2-CG 4.16Å; W117-A119 PolarHBondContact O-N 2.81Å |
| 118 | S | 86.9 | Confident | 87.5 | Confident | 108 Ų | 108 | 69.2 Ų | 69.2 | 76% | 0.755 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -17.8 | -168.3 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | G97 | G97-S118 VanDerWaalsContact CA-C 3.43Å; G97-S118 WeakPolarHBondContact CA-O 3.2Å; G97-S118 PolarHBondContact N-O 3.33Å |
| 119 | A | 90.9 | Very high | 85.8 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 152.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S69 W117 | S69-A119 WeakPolarHBondContact CB-O 3.26Å; S69-A119 PolarHBondContact N-O 3.15Å; S69-A119 PolarHBondContact OG-O 3.12Å; W117-A119 PolarHBondContact O-N 2.81Å |
| 120 | S | 96.4 | Very high | 83.2 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 173 | 177.4 | -32.1 | 0 | 0 | 0 | 0 | 110.9 | V66 Y67 L95 P96 Y101 | V66-S120 VanDerWaalsContact CG1-CB 3.46Å; Y67-S120 CarbonylContact O-C 3.42Å; Y67-S120 VanDerWaalsContact O-CA 3.22Å; Y67-S120 WeakPolarHBondContact O-CA 3.43Å; Y67-S120 WeakPolarHBondContact O-CB 3.4Å; L95-S120 PolarHBondContact N-O 3.1Å; L95-S120 PolarHBondContact O-N 3.29Å; P96-S120 WeakPolarHBondContact O-CB 3.22Å; P96-S120 PolarHBondContact O-OG 3.18Å; Y101-S120 PolarHBondContact OH-OG 3.15Å |
| 121 | F | 97.3 | Very high | 80.5 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 0% | 0.004 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 163.9 | 166.6 | 70 | -78.8 | 0 | 0 | 0 | 111.5 | Y67 A68 I73 A76 V92 Y93 V123 | Y67-F121 HydrophobicContact CD2-CE2 4.46Å; Y67-F121 PolarHBondContact N-O 2.88Å; Y67-F121 WeakPolarHBondContact O-CD1 3.48Å; Y67-F121 PolarHBondContact O-N 3.29Å; A68-F121 WeakPolarHBondContact O-CE1 3.44Å; I73-F121 HydrophobicContact CB-CE2 4.44Å; I73-F121 HydrophobicContact CG1-CE2 3.97Å; I73-F121 HydrophobicContact CG1-CZ 4.11Å; A76-F121 HydrophobicContact CB-CE2 3.82Å; A76-F121 HydrophobicContact CB-CZ 3.82Å; V92-F121 HydrophobicContact CG1-CB 4.06Å; V92-F121 HydrophobicContact CG1-CD2 3.83Å; V92-F121 HydrophobicContact CG1-CG 4.24Å; Y93-F121 CarbonylContact O-C 3.56Å; Y93-F121 WeakPolarHBondContact O-CA 3.09Å; Y93-F121 WeakPolarHBondContact O-CB 3.44Å; F121-V123 HydrophobicContact CD2-CG1 3.77Å; F121-V123 HydrophobicContact CE2-CG1 3.63Å |
| 122 | T | 97.1 | Very high | 77.6 | Confident | 28 Ų | 28 | 89.1 Ų | 89.1 | 17% | 0.172 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 157.1 | 166.6 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | I65 Y93 L95 | I65-T122 PolarHBondContact O-OG1 3.24Å; I65-T122 VanDerWaalsContact O-OG1 3.13Å; Y93-T122 HydrophobicContact CD2-CG2 4.32Å; Y93-T122 HydrophobicContact CG-CG2 4.47Å; Y93-T122 PolarHBondContact N-O 2.83Å; Y93-T122 PolarHBondContact O-N 3.34Å; L95-T122 HydrophobicContact CD1-CG2 4.04Å |
| 123 | V | 96.6 | Very high | 74.9 | Confident | 3 Ų | 3 | 89.6 Ų | 89.6 | 2% | 0.018 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.8 | -175.9 | -68 | 0 | 0 | 0 | 0 | 110.8 | Y67 I73 A76 A77 R80 V82 V90 R91 V92 F121 | Y67-V123 HydrophobicContact CE2-CG2 4.19Å; I73-V123 HydrophobicContact CG2-CG1 4.25Å; A76-V123 HydrophobicContact CB-CG2 4.48Å; A77-V123 HydrophobicContact CB-CG2 4.31Å; R80-V123 HydrophobicContact CB-CG2 4.04Å; R80-V123 HydrophobicContact CG-CG2 4.36Å; V82-V123 HydrophobicContact CG2-CG2 4.21Å; V90-V123 HydrophobicContact CG1-CB 3.81Å; V90-V123 HydrophobicContact CG1-CG1 3.82Å; R91-V123 CarbonylContact O-C 3.56Å; R91-V123 VanDerWaalsContact O-CA 3.31Å; R91-V123 WeakPolarHBondContact O-CA 3.36Å; V92-V123 HydrophobicContact CG2-CG1 4.35Å; F121-V123 HydrophobicContact CD2-CG1 3.77Å; F121-V123 HydrophobicContact CE2-CG1 3.63Å |
| 124 | T | 95.9 | Very high | 72.6 | Confident | 56 Ų | 56 | 88.9 Ų | 88.9 | 34% | 0.344 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 171.3 | 172.3 | 68.5 | 0 | 0 | 0 | 0 | 110.5 | V82 R91 Y93 G126 | V82-T124 VanDerWaalsContact CG1-C 3.41Å; V82-T124 WeakPolarHBondContact CG1-O 3.33Å; R91-T124 PolarHBondContact N-O 3.4Å; R91-T124 PolarHBondContact O-N 3.49Å; Y93-T124 HydrophobicContact CE2-CG2 4.17Å; T124-G126 PolarHBondContact O-N 3.45Å |
| 125 | K | 90.9 | Very high | 70.2 | Confident | 172 Ų | 172 | 90.5 Ų | 90.5 | 75% | 0.748 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 125.6 | -178.3 | -162 | 170.5 | -174.8 | 174.5 | 0 | 110.6 | V82 | V82-K125 HydrophobicContact CG1-CB 4.36Å |
| 126 | G | 82.1 | Confident | 67.8 | Low | 10 Ų | 10 | 95.3 Ų | 95.3 | 10% | 0.103 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 154.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | P89 T124 | P89-G126 PolarHBondContact O-N 2.8Å; T124-G126 PolarHBondContact O-N 3.45Å |
| 127 | K | 75.7 | Confident | 65.1 | Low | 138 Ų | 138 | 92 Ų | 92 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -74 | 126.1 | 172.5 | -71.5 | -176.9 | 177.5 | 179.4 | 0 | 108.8 | ||
| 128 | S | 53.6 | Low | 62.2 | Low | 93 Ų | 93 | 93.8 Ų | 93.8 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | trans | -88.7 | 105.5 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 129 | S | 48.3 | Very low | 59.5 | Low | 84 Ų | 84 | 93.9 Ų | 93.9 | 59% | 0.587 | 56% | 0.563 | S | S | * | * | trans | -89.6 | 107.5 | 160.2 | 57 | 0 | 0 | 0 | 0 | 107.6 | Q131 | S129-Q131 PolarHBondContact O-N 2.88Å; S129-Q131 VanDerWaalsContact O-N 3.13Å | ||
| 130 | T | 35 | Very low | 56.6 | Low | 132 Ų | 132 | 98.1 Ų | 98.1 | 81% | 0.81 | 59% | 0.585 | S | S | * | * | trans | -61.9 | 110.9 | 169.8 | 37.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 131 | Q | 35.9 | Very low | 53.5 | Low | 179 Ų | 179 | 102.1 Ų | 102.1 | 84% | 0.836 | 62% | 0.619 | S | S | * | * | trans | -125.9 | 113.3 | 158.4 | -77.6 | -169.7 | -16.1 | 0 | 0 | 107.4 | S129 A133 | S129-Q131 PolarHBondContact O-N 2.88Å; S129-Q131 VanDerWaalsContact O-N 3.13Å; Q131-A133 PolarHBondContact O-N 2.8Å | ||
| 132 | E | 31.6 | Very low | 50.3 | Low | 195 Ų | 195 | 110.8 Ų | 110.8 | 91% | 0.911 | 66% | 0.659 | S | S | * | * | trans | -63.7 | 119.9 | 170.8 | -75.4 | 174.3 | 139.7 | 0 | 0 | 109.1 | ||||
| 133 | A | 33.5 | Very low | 47.2 | Very low | 100 Ų | 100 | 114.8 Ų | 114.8 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | -90.2 | 99.2 | 166 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q131 G135 | Q131-A133 PolarHBondContact O-N 2.8Å; A133-G135 PolarHBondContact O-N 3.38Å | ||
| 134 | T | 35.4 | Very low | 44.2 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | -68.3 | 95.4 | 164.3 | 45.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 135 | G | 32.9 | Very low | 41.5 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | -85.3 | 111.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | A133 A137 | A133-G135 PolarHBondContact O-N 3.38Å; G135-A137 PolarHBondContact O-N 2.86Å | ||
| 136 | Q | 30.5 | Very low | 38.7 | Very low | 189 Ų | 189 | 120 Ų | 120 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -65.9 | 128 | 164.5 | -86.8 | 179.1 | -34.5 | 0 | 0 | 109.6 | V138 | Q136-V138 PolarHBondContact O-N 3.46Š| ||
| 137 | A | 30.5 | Very low | 36.8 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -72.3 | 114.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G135 | G135-A137 PolarHBondContact O-N 2.86Š| ||
| 138 | V | 29 | Very low | 34.8 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -91.9 | 99.9 | 162.9 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | Q136 T140 | Q136-V138 PolarHBondContact O-N 3.46Å; V138-T140 HydrophobicContact CG1-CG2 4.4Å | ||
| 139 | S | 31.4 | Very low | 34.1 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -74.2 | 118.7 | 165.8 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 140 | T | 30 | Very low | 33.6 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -104.6 | 99.9 | 162.4 | 43.1 | 0 | 0 | 0 | 0 | 108.8 | V138 | V138-T140 HydrophobicContact CG1-CG2 4.4Š| ||
| 141 | A | 29.6 | Very low | 33.6 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 136.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 142 | H | 30.6 | Very low | 33.6 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.4 | 169.3 | -90.3 | 40.2 | 0 | 0 | 0 | 111.1 | ||
| 143 | P | 32.6 | Very low | 34.3 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 155.1 | 163.9 | -7 | 24 | 0 | 0 | 0 | 110.8 | ||
| 144 | P | 33.4 | Very low | 34.9 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 144.5 | -174.9 | 29 | -32.6 | 0 | 0 | 0 | 111.9 | G146 | P144-G146 PolarHBondContact O-N 3.01Š|
| 145 | T | 39.6 | Very low | 35.7 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -62.8 | 94.8 | 178.9 | 32.9 | 0 | 0 | 0 | 0 | 112.2 | K147 | T145-K147 PolarHBondContact O-N 3.36Š| ||
| 146 | G | 32.5 | Very low | 37.1 | Very low | 71 Ų | 71 | 149 Ų | 149 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -68.3 | 114.6 | 156 | 0 | 0 | 0 | 0 | 0 | 109.7 | P144 R148 | P144-G146 PolarHBondContact O-N 3.01Å; G146-R148 PolarHBondContact O-N 2.88Å | ||
| 147 | K | 41.5 | Very low | 39 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -56 | 98.7 | 173.9 | -73.2 | 178.5 | 178.2 | 175.7 | 0 | 110.3 | T145 L149 | T145-K147 PolarHBondContact O-N 3.36Å; K147-L149 PolarHBondContact O-N 2.74Å | ||
| 148 | R | 33.4 | Very low | 41.2 | Very low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | -77.1 | 114.8 | 163.4 | -162.5 | 173.8 | -176.6 | 178.1 | 1.4 | 107.4 | G146 K150 | G146-R148 PolarHBondContact O-N 2.88Å; R148-K150 PolarHBondContact O-N 2.86Å | ||
| 149 | L | 38.1 | Very low | 43.9 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -48.3 | 124.7 | 172.6 | -89.9 | 114.4 | 0 | 0 | 0 | 109.8 | K147 K151 | K147-L149 PolarHBondContact O-N 2.74Å; L149-K151 PolarHBondContact O-N 2.88Å | ||
| 150 | K | 37.8 | Very low | 46.3 | Very low | 207 Ų | 207 | 137 Ų | 137 | 90% | 0.9 | 72% | 0.724 | S | S | * | * | trans | -55.5 | 103.9 | 164.7 | -93.9 | -179.9 | 172.6 | 177.3 | 0 | 107.6 | R148 T152 | R148-K150 PolarHBondContact O-N 2.86Å; K150-T152 PolarHBondContact O-N 3.2Å | ||
| 151 | K | 35.2 | Very low | 48.9 | Very low | 201 Ų | 201 | 138 Ų | 138 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122.8 | 153.9 | -92.6 | -171.8 | 172.8 | -171.5 | 0 | 106.6 | L149 | L149-K151 PolarHBondContact O-N 2.88Š|
| 152 | T | 37.7 | Very low | 51.8 | Low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 134.7 | 167.7 | -11.1 | 0 | 0 | 0 | 0 | 108.5 | K150 E154 | K150-T152 PolarHBondContact O-N 3.2Å; T152-E154 PolarHBondContact O-N 3.47Å; T152-E154 VanDerWaalsContact O-N 3.08Å |
| 153 | P | 46.4 | Very low | 54.5 | Low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116 | 179.7 | -7.5 | 21.6 | 0 | 0 | 0 | 108 | K155 | P153-K155 PolarHBondContact O-N 2.82Š|
| 154 | E | 44.7 | Very low | 57.5 | Low | 182 Ų | 182 | 124.3 Ų | 124.3 | 85% | 0.85 | 64% | 0.635 | S | S | * | * | trans | -61.4 | 109 | 164 | -77.5 | 177 | 173.8 | 0 | 0 | 107.2 | T152 K156 | T152-E154 PolarHBondContact O-N 3.47Å; T152-E154 VanDerWaalsContact O-N 3.08Å; E154-K156 PolarHBondContact O-N 2.91Å | ||
| 155 | K | 52.5 | Low | 60.4 | Low | 164 Ų | 164 | 118.3 Ų | 118.3 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | trans | -57.7 | 104.9 | 172.5 | -82.4 | 176.9 | 170.4 | -177 | 0 | 108 | P153 T157 T199 | P153-K155 PolarHBondContact O-N 2.82Å; K155-T157 PolarHBondContact O-N 3Å; K155-T199 HydrophobicContact CB-CG2 4.19Å; K155-T199 HydrophobicContact CD-CG2 4.01Å; K155-T199 HydrophobicContact CG-CG2 4Å | ||
| 156 | K | 61.8 | Low | 63.2 | Low | 143 Ų | 143 | 111.5 Ų | 111.5 | 62% | 0.622 | 55% | 0.554 | S | S | * | * | trans | -67.3 | 125.6 | 167.6 | -72.9 | -168.7 | 174.7 | -167 | 0 | 108.1 | E154 G158 G198 T199 | E154-K156 PolarHBondContact O-N 2.91Å; K156-G158 PolarHBondContact O-N 3.28Å; K156-G198 WeakPolarHBondContact O-CA 3.21Å; K156-T199 PolarHBondContact O-N 3.28Å | ||
| 157 | T | 70 | Confident | 66.4 | Low | 75 Ų | 75 | 108.1 Ų | 108.1 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | trans | -63 | -30.3 | 179.7 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | K155 G198 T199 E200 G201 | K155-T157 PolarHBondContact O-N 3Å; T157-G198 CarbonylContact O-C 3.29Å; T157-T199 PolarHBondContact O-N 3.27Å; T157-E200 CarbonylContact O-C 3.55Å; T157-E200 VanDerWaalsContact O-CA 3.29Å; T157-E200 WeakPolarHBondContact O-CA 3.32Å; T157-E200 WeakPolarHBondContact O-CB 3.48Å; T157-E200 PolarHBondContact O-N 3.16Å; T157-G201 PolarHBondContact O-N 3.24Å | ||
| 158 | G | 78.4 | Confident | 69.1 | Low | 26 Ų | 26 | 98.2 Ų | 98.2 | 27% | 0.268 | 48% | 0.476 | S | S | . | . | trans | 79 | -175.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | K156 K160 G196 | K156-G158 PolarHBondContact O-N 3.28Å; G158-K160 PolarHBondContact O-N 3.01Å; G158-G196 CarbonylContact C-O 3.5Å; G158-G196 WeakPolarHBondContact CA-O 3.4Å | ||
| 159 | N | 85.4 | Confident | 72.1 | Confident | 55 Ų | 55 | 86.8 Ų | 86.8 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | trans | -78.6 | 101.8 | 177.9 | -179.4 | 8.8 | 0 | 0 | 0 | 110.5 | D161 C162 G196 G201 | N159-D161 PolarHBondContact O-N 3.35Å; N159-D161 PolarHBondContact OD1-N 3.47Å; N159-D161 VanDerWaalsContact OD1-N 3.16Å; N159-C162 HydrophobicContact CB-CB 4.37Å; N159-C162 WeakPolarHBondContact ND2-CB 3.49Å; N159-C162 PolarHBondContact O-N 3.21Å; N159-G196 PolarHBondContact N-O 3.3Å; N159-G201 WeakPolarHBondContact O-CA 3.22Å | ||
| 160 | K | 81.5 | Confident | 74.9 | Confident | 121 Ų | 121 | 79 Ų | 79 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22 | -177.1 | -62.7 | -173.1 | 177.4 | -176.1 | 0 | 113.8 | G158 C162 E200 | G158-K160 PolarHBondContact O-N 3.01Å; K160-C162 VanDerWaalsContact C-N 3.27Å; K160-E200 HydrophobicContact CG-CB 3.94Å |
| 161 | D | 85.3 | Confident | 77.5 | Confident | 143 Ų | 143 | 69.4 Ų | 69.4 | 77% | 0.765 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10 | -179.3 | -53.9 | -31.9 | 0 | 0 | 0 | 111.8 | N159 | N159-D161 PolarHBondContact O-N 3.35Å; N159-D161 PolarHBondContact OD1-N 3.47Å; N159-D161 VanDerWaalsContact OD1-N 3.16Å |
| 162 | C | 89.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -116.4 | 88.2 | 177.5 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | N159 K160 G201 P202 C351 | N159-C162 HydrophobicContact CB-CB 4.37Å; N159-C162 WeakPolarHBondContact ND2-CB 3.49Å; N159-C162 PolarHBondContact O-N 3.21Å; K160-C162 VanDerWaalsContact C-N 3.27Å; C162-G201 CarbonylContact O-C 2.96Å; C162-P202 WeakPolarHBondContact O-CD 3.41Å; C162-P202 VanDerWaalsContact O-N 3.09Å; C162-C351 HydrophobicContact CB-CB 3.63Å; C162-C351 WeakPolarHBondContact CB-SG 3.11Å; C162-C351 VanDerWaalsContact SG-CA 3.58Å; C162-C351 WeakPolarHBondContact SG-CB 3.46Å; C162-C351 CovalentContact SG-SG 2.03Å; C162-C351 PolarHBondContact SG-SG 3.33Å | ||
| 163 | K | 88.8 | Confident | 82.5 | Confident | 95 Ų | 95 | 53.8 Ų | 53.8 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | trans | -104.5 | 99.4 | 176.1 | -65.8 | -173.5 | 176.6 | -174.4 | 0 | 110.2 | I266 P267 | K163-I266 HydrophobicContact CB-CD1 4.05Å; K163-I266 HydrophobicContact CD-CD1 4.34Å; K163-P267 WeakPolarHBondContact O-CD 3.41Å | ||
| 164 | A | 93.7 | Very high | 84.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | trans | -146.6 | 151 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I166 P202 H203 R263 I266 V269 | A164-I166 HydrophobicContact CB-CD1 4.08Å; A164-I166 HydrophobicContact CB-CG1 3.81Å; A164-P202 WeakPolarHBondContact O-CA 3.4Å; A164-P202 WeakPolarHBondContact O-CB 3.39Å; A164-H203 PolarHBondContact O-N 2.91Å; A164-R263 PolarHBondContact O-NH2 3.37Å; A164-R263 VanDerWaalsContact O-NH2 3.15Å; A164-I266 VanDerWaalsContact CA-CG2 3.47Å; A164-V269 HydrophobicContact CB-CG2 4.24Å | ||
| 165 | D | 96.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 108.6 | 170.6 | -73.5 | -8.5 | 0 | 0 | 0 | 107.9 | L219 F256 V262 R263 I266 P267 V269 | D165-L219 HydrophobicContact CB-CD1 3.8Å; D165-L219 HydrophobicContact CB-CD2 4.16Å; D165-F256 HydrophobicContact CB-CE1 4.38Å; D165-F256 WeakPolarHBondContact O-CE1 3.39Å; D165-V262 HydrophobicContact CB-CG2 4.43Å; D165-V262 WeakPolarHBondContact OD2-CA 3.46Å; D165-V262 WeakPolarHBondContact OD2-CG2 3.21Å; D165-R263 IonicContact OD1-CZ 2.76Å; D165-R263 IonicContact OD1-NE 2.77Å; D165-R263 PolarHBondContact OD1-NE 3.29Å; D165-R263 IonicContact OD1-NH2 3.7Å; D165-R263 PolarHBondContact OD1-NH2 2.89Å; D165-R263 PolarHBondContact OD2-N 2.71Å; D165-R263 IonicContact OD2-NE 3.22Å; D165-I266 HydrophobicContact CB-CG2 4.39Å; D165-P267 PolarHBondContact N-O 2.85Å; D165-V269 PolarHBondContact O-N 2.8Å |
| 166 | I | 97.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.3 | -163.6 | -52.3 | 170.4 | 0 | 0 | 0 | 110.4 | A164 F168 L195 P202 H203 V204 G205 V269 V271 L350 | A164-I166 HydrophobicContact CB-CD1 4.08Å; A164-I166 HydrophobicContact CB-CG1 3.81Å; I166-F168 HydrophobicContact CG2-CD1 4.47Å; I166-F168 HydrophobicContact CG2-CE1 4.19Å; I166-F168 HydrophobicContact CG2-CE2 4.31Å; I166-F168 HydrophobicContact CG2-CZ 4.11Å; I166-L195 HydrophobicContact CD1-CD1 3.78Å; I166-L195 HydrophobicContact CD1-CD2 3.84Å; I166-P202 HydrophobicContact CD1-CB 4.25Å; I166-H203 PolarHBondContact N-O 3.04Å; I166-V204 HydrophobicContact CB-CG1 4.16Å; I166-V204 HydrophobicContact CD1-CG1 4.48Å; I166-V204 CarbonylContact O-C 3.48Å; I166-V204 WeakPolarHBondContact O-CA 3.42Å; I166-G205 PolarHBondContact O-N 3.13Å; I166-V269 CarbonylContact C-O 3.56Å; I166-V269 VanDerWaalsContact CA-O 3.31Å; I166-V269 WeakPolarHBondContact CA-O 3.39Å; I166-V269 HydrophobicContact CG1-CB 4.25Å; I166-V271 HydrophobicContact CG2-CG2 3.86Å; I166-L350 HydrophobicContact CD1-CB 4.46Å; I166-L350 HydrophobicContact CD1-CD1 4.48Å |
| 167 | A | 98.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | T251 F255 F256 V269 V270 V271 | A167-T251 HydrophobicContact CB-CG2 3.72Å; A167-F255 HydrophobicContact CB-CD1 3.78Å; A167-F255 HydrophobicContact CB-CE1 3.59Å; A167-F255 HydrophobicContact CB-CE2 4.4Å; A167-F255 HydrophobicContact CB-CG 4.28Å; A167-F255 HydrophobicContact CB-CZ 3.93Å; A167-F256 HydrophobicContact CB-CE2 4.36Å; A167-F256 HydrophobicContact CB-CZ 3.8Å; A167-V269 PolarHBondContact N-O 3.26Å; A167-V270 HydrophobicContact CB-CG2 4.18Å; A167-V270 CarbonylContact O-C 3.6Å; A167-V270 WeakPolarHBondContact O-CA 3.45Å; A167-V271 PolarHBondContact O-N 2.79Å |
| 168 | F | 98.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 117.8 | 166.3 | -69.2 | -66.7 | 0 | 0 | 0 | 108.8 | I166 V188 V191 L195 V204 G205 L206 V207 V271 F273 | I166-F168 HydrophobicContact CG2-CD1 4.47Å; I166-F168 HydrophobicContact CG2-CE1 4.19Å; I166-F168 HydrophobicContact CG2-CE2 4.31Å; I166-F168 HydrophobicContact CG2-CZ 4.11Å; F168-V188 HydrophobicContact CB-CG1 3.88Å; F168-V188 HydrophobicContact CD1-CG1 3.92Å; F168-V188 HydrophobicContact CD2-CG1 3.63Å; F168-V188 HydrophobicContact CE1-CG1 4.36Å; F168-V188 HydrophobicContact CE2-CG1 4.09Å; F168-V188 HydrophobicContact CG-CG1 3.52Å; F168-V188 HydrophobicContact CZ-CG1 4.43Å; F168-V191 HydrophobicContact CE1-CG1 3.98Å; F168-V191 HydrophobicContact CZ-CB 4.34Å; F168-V191 HydrophobicContact CZ-CG1 3.72Å; F168-L195 HydrophobicContact CE2-CD1 4.26Å; F168-L195 HydrophobicContact CZ-CD1 3.82Å; F168-V204 HydrophobicContact CD2-CB 4.44Å; F168-V204 HydrophobicContact CE2-CB 4.14Å; F168-V204 HydrophobicContact CE2-CG1 4.12Å; F168-G205 PolarHBondContact N-O 2.98Å; F168-L206 HydrophobicContact CB-CD1 3.61Å; F168-L206 CarbonylContact O-C 3.55Å; F168-L206 WeakPolarHBondContact O-CA 3.21Å; F168-V207 PolarHBondContact O-N 3.14Å; F168-V271 HydrophobicContact CD1-CB 3.85Å; F168-V271 HydrophobicContact CD1-CG1 4.3Å; F168-V271 HydrophobicContact CD1-CG2 4.29Å; F168-V271 HydrophobicContact CE1-CB 4.14Å; F168-V271 HydrophobicContact CE1-CG1 4.42Å; F168-V271 HydrophobicContact CE1-CG2 4.16Å; F168-F273 AromaticContact CD1-CE2 3.95Å; F168-F273 HydrophobicContact CD1-CE2 3.95Å |
| 169 | L | 97.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 106.7 | 174.9 | -169.6 | 167.8 | 0 | 0 | 0 | 108 | V207 A209 T244 A247 L248 V270 V271 V272 F273 | L169-V207 CarbonylContact C-O 3.54Å; L169-V207 WeakPolarHBondContact CA-O 3.19Å; L169-A209 HydrophobicContact CD2-CB 3.65Å; L169-T244 HydrophobicContact CD2-CG2 4.49Å; L169-A247 HydrophobicContact CD1-CB 3.91Å; L169-A247 HydrophobicContact CD2-CB 4.3Å; L169-A247 HydrophobicContact CG-CB 4.32Å; L169-L248 HydrophobicContact CD1-CB 4.15Å; L169-V270 HydrophobicContact CB-CG1 3.98Å; L169-V270 HydrophobicContact CD1-CG1 4.27Å; L169-V271 PolarHBondContact N-O 3.33Å; L169-V272 HydrophobicContact CB-CG2 4.4Å; L169-V272 HydrophobicContact CD1-CG2 4.34Å; L169-V272 HydrophobicContact CD2-CG1 3.95Å; L169-F273 PolarHBondContact O-N 2.8Å |
| 170 | I | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 140.4 | -174.5 | 59.8 | 162.9 | 0 | 0 | 0 | 110.9 | G172 F181 Q184 K185 V188 L206 V207 Q208 A209 V235 F273 | I170-G172 PolarHBondContact O-N 3Å; I170-F181 HydrophobicContact CD1-CE2 3.75Å; I170-F181 HydrophobicContact CD1-CZ 4.07Å; I170-Q184 HydrophobicContact CB-CG 4.48Å; I170-Q184 HydrophobicContact CG2-CG 4.28Å; I170-K185 HydrophobicContact CD1-CG 4.46Å; I170-V188 HydrophobicContact CG2-CG2 3.82Å; I170-L206 HydrophobicContact CB-CD1 4.46Å; I170-L206 HydrophobicContact CD1-CD1 3.93Å; I170-L206 HydrophobicContact CD1-CD2 3.9Å; I170-L206 HydrophobicContact CD1-CG 4.1Å; I170-L206 HydrophobicContact CG1-CD1 3.93Å; I170-L206 HydrophobicContact CG1-CG 4.23Å; I170-L206 HydrophobicContact CG2-CD1 3.75Å; I170-V207 WeakPolarHBondContact CG1-O 3.3Å; I170-V207 PolarHBondContact N-O 3.02Å; I170-Q208 HydrophobicContact CG1-CB 4.31Å; I170-Q208 HydrophobicContact CG1-CG 4.38Å; I170-Q208 CarbonylContact O-C 3.53Å; I170-Q208 WeakPolarHBondContact O-CA 3.09Å; I170-A209 PolarHBondContact O-N 3.23Å; I170-V235 HydrophobicContact CD1-CG1 4.4Å; I170-F273 HydrophobicContact CG2-CD2 4.27Å |
| 171 | D | 92.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 114.8 | 176.5 | -170.8 | -17.5 | 0 | 0 | 0 | 109.6 | S173 I176 F181 Q184 S242 | D171-S173 WeakPolarHBondContact OD1-CA 3.22Å; D171-S173 WeakPolarHBondContact OD1-CB 3.15Å; D171-S173 PolarHBondContact OD1-N 3.21Å; D171-S173 PolarHBondContact OD1-OG 3.08Å; D171-S173 PolarHBondContact OD2-OG 3.02Å; D171-I176 HydrophobicContact CB-CD1 4.34Å; D171-I176 HydrophobicContact CB-CG2 4.46Å; D171-I176 WeakPolarHBondContact O-CG2 3.43Å; D171-F181 VanDerWaalsContact O-CD2 3.22Å; D171-F181 WeakPolarHBondContact O-CD2 3.12Å; D171-Q184 PolarHBondContact O-OE1 3.33Å; D171-S242 PolarHBondContact OD2-OG 2.96Å |
| 172 | G | 90.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -105.1 | 11.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I170 A209 F237 G239 | I170-G172 PolarHBondContact O-N 3Å; G172-A209 VanDerWaalsContact CA-O 3.29Å; G172-A209 WeakPolarHBondContact CA-O 3.33Å; G172-A209 PolarHBondContact N-O 3.21Å; G172-F237 VanDerWaalsContact O-CE2 3.29Å; G172-F237 WeakPolarHBondContact O-CE2 3.4Å; G172-G239 WeakPolarHBondContact O-CA 3.34Å; G172-G239 PolarHBondContact O-N 3.15Å | ||
| 173 | S | 86.3 | Confident | 91.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -74.3 | 168.5 | -173.7 | 71 | 0 | 0 | 0 | 0 | 114.2 | D171 N175 I176 F237 G240 | D171-S173 WeakPolarHBondContact OD1-CA 3.22Å; D171-S173 WeakPolarHBondContact OD1-CB 3.15Å; D171-S173 PolarHBondContact OD1-N 3.21Å; D171-S173 PolarHBondContact OD1-OG 3.08Å; D171-S173 PolarHBondContact OD2-OG 3.02Å; S173-N175 PolarHBondContact O-N 2.95Å; S173-N175 PolarHBondContact OG-N 3.34Å; S173-I176 WeakPolarHBondContact O-CG2 3.43Å; S173-F237 WeakPolarHBondContact O-CE2 3.31Å; S173-F237 WeakPolarHBondContact O-CZ 3.16Å; S173-G240 WeakPolarHBondContact CA-O 3.36Å; S173-G240 VanDerWaalsContact CB-O 3.32Å; S173-G240 WeakPolarHBondContact CB-O 3.2Å |
| 174 | F | 80.6 | Confident | 91.4 | Very high | 72 Ų | 72 | 34.5 Ų | 34.5 | 32% | 0.316 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.1 | 173.3 | -69.4 | -49.6 | 0 | 0 | 0 | 113.9 | G177 F237 G239 G240 | F174-G177 PolarHBondContact O-N 2.89Å; F174-F237 HydrophobicContact CD1-CE1 4.02Å; F174-F237 HydrophobicContact CD1-CZ 4.08Å; F174-F237 HydrophobicContact CE1-CE1 4.18Å; F174-G239 VanDerWaalsContact CD1-CA 3.47Å; F174-G240 PolarHBondContact N-O 3.38Å |
| 175 | N | 79.5 | Confident | 91.5 | Very high | 107 Ų | 107 | 35.3 Ų | 35.3 | 57% | 0.572 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -41.5 | -178.8 | -73.7 | 23.9 | 0 | 0 | 0 | 111.9 | S173 | S173-N175 PolarHBondContact O-N 2.95Å; S173-N175 PolarHBondContact OG-N 3.34Å |
| 176 | I | 83.8 | Confident | 91.5 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -37.8 | 176.5 | -172.4 | 164 | 0 | 0 | 0 | 111.6 | D171 S173 R180 Q184 F237 D275 W336 | D171-I176 HydrophobicContact CB-CD1 4.34Å; D171-I176 HydrophobicContact CB-CG2 4.46Å; D171-I176 WeakPolarHBondContact O-CG2 3.43Å; S173-I176 WeakPolarHBondContact O-CG2 3.43Å; I176-R180 HydrophobicContact CD1-CB 4.21Å; I176-R180 HydrophobicContact CG1-CB 3.47Å; I176-R180 VanDerWaalsContact CG1-CB 3.47Å; I176-R180 WeakPolarHBondContact O-CB 3.42Å; I176-Q184 HydrophobicContact CD1-CB 4.41Å; I176-Q184 VanDerWaalsContact CD1-NE2 3.33Å; I176-F237 HydrophobicContact CG2-CE2 4.32Å; I176-D275 HydrophobicContact CD1-CB 4.09Å; I176-D275 HydrophobicContact CG1-CB 4.36Å; I176-W336 HydrophobicContact CD1-CZ2 4.31Å |
| 177 | G | 84.6 | Confident | 91.5 | Very high | 21 Ų | 21 | 39.3 Ų | 39.3 | 22% | 0.216 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | 70 | 160.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F174 R179 R180 F181 | F174-G177 PolarHBondContact O-N 2.89Å; G177-R179 VanDerWaalsContact C-N 3.31Å; G177-R179 PolarHBondContact O-N 3.34Å; G177-R179 VanDerWaalsContact O-N 3.15Å; G177-R180 PolarHBondContact O-N 3.01Å; G177-F181 WeakPolarHBondContact O-CB 3.41Å; G177-F181 PolarHBondContact O-N 2.94Å |
| 178 | Q | 87.3 | Confident | 91.4 | Very high | 93 Ų | 93 | 39.3 Ų | 39.3 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -53.5 | -41.5 | -171.8 | -173.8 | 70.5 | 54.2 | 0 | 0 | 114.3 | N182 F237 | Q178-N182 PolarHBondContact O-N 3.44Å; Q178-N182 PolarHBondContact O-ND2 3.15Å; Q178-F237 VanDerWaalsContact OE1-CG 3.25Å |
| 179 | R | 88.9 | Confident | 91.4 | Very high | 188 Ų | 188 | 39.3 Ų | 39.3 | 71% | 0.709 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -65.9 | -48.8 | -176.2 | -178.3 | 177.3 | 175.7 | 163.6 | -0.7 | 111.3 | G177 N182 L183 | G177-R179 VanDerWaalsContact C-N 3.31Å; G177-R179 PolarHBondContact O-N 3.34Å; G177-R179 VanDerWaalsContact O-N 3.15Å; R179-N182 PolarHBondContact O-N 2.77Å; R179-L183 PolarHBondContact O-N 2.81Å |
| 180 | R | 90.5 | Very high | 91.3 | Very high | 123 Ų | 123 | 43.1 Ų | 43.1 | 46% | 0.464 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.3 | -32.4 | -179.4 | -59.2 | -175.9 | -173.6 | 178.1 | 3.4 | 111.1 | I176 G177 N182 L183 Q184 D275 | I176-R180 HydrophobicContact CD1-CB 4.21Å; I176-R180 HydrophobicContact CG1-CB 3.47Å; I176-R180 VanDerWaalsContact CG1-CB 3.47Å; I176-R180 WeakPolarHBondContact O-CB 3.42Å; G177-R180 PolarHBondContact O-N 3.01Å; R180-N182 VanDerWaalsContact C-N 3.3Å; R180-N182 PolarHBondContact O-N 3.03Å; R180-L183 CarbonylContact O-C 3.6Å; R180-L183 WeakPolarHBondContact O-CA 3.42Å; R180-L183 WeakPolarHBondContact O-CB 3.47Å; R180-L183 PolarHBondContact O-N 2.94Å; R180-Q184 PolarHBondContact O-N 3.26Å; R180-D275 WeakPolarHBondContact CD-OD2 3.44Å; R180-D275 IonicContact NH1-OD1 3.14Å; R180-D275 PolarHBondContact NH1-OD1 3.07Å; R180-D275 IonicContact NH1-OD2 2.86Å; R180-D275 PolarHBondContact NH1-OD2 3.47Å |
| 181 | F | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.7 | -47.1 | 168.7 | -179.4 | -111.3 | 0 | 0 | 0 | 111.8 | I170 D171 G177 L183 Q184 K185 Q208 V235 G236 F237 | I170-F181 HydrophobicContact CD1-CE2 3.75Å; I170-F181 HydrophobicContact CD1-CZ 4.07Å; D171-F181 VanDerWaalsContact O-CD2 3.22Å; D171-F181 WeakPolarHBondContact O-CD2 3.12Å; G177-F181 WeakPolarHBondContact O-CB 3.41Å; G177-F181 PolarHBondContact O-N 2.94Å; F181-L183 VanDerWaalsContact C-N 3.32Å; F181-L183 PolarHBondContact O-N 3.15Å; F181-Q184 WeakPolarHBondContact O-CB 3.33Å; F181-Q184 PolarHBondContact O-N 3.35Å; F181-K185 HydrophobicContact CD1-CD 4.17Å; F181-K185 HydrophobicContact CD1-CG 4.43Å; F181-K185 HydrophobicContact CE1-CD 3.57Å; F181-K185 HydrophobicContact CE1-CG 4.12Å; F181-K185 HydrophobicContact CE2-CG 4.45Å; F181-K185 HydrophobicContact CZ-CD 3.84Å; F181-K185 HydrophobicContact CZ-CG 4.14Å; F181-K185 WeakPolarHBondContact O-CG 3.33Å; F181-K185 PolarHBondContact O-N 2.79Å; F181-Q208 VanDerWaalsContact CZ-NE2 3.25Å; F181-V235 HydrophobicContact CZ-CG1 4.08Å; F181-G236 WeakPolarHBondContact CZ-O 3.37Å; F181-F237 HydrophobicContact CB-CD2 3.83Å; F181-F237 HydrophobicContact CB-CE2 4.25Å; F181-F237 HydrophobicContact CD1-CB 3.79Å; F181-F237 AromaticContact CD1-CD2 3.83Å; F181-F237 HydrophobicContact CD1-CD2 3.83Å; F181-F237 HydrophobicContact CD1-CG 4.27Å; F181-F237 HydrophobicContact CD2-CD2 4.14Å; F181-F237 HydrophobicContact CE1-CB 3.92Å; F181-F237 HydrophobicContact CE1-CD2 4.39Å; F181-F237 HydrophobicContact CG-CB 4.5Å; F181-F237 AromaticContact CG-CD2 3.67Å; F181-F237 HydrophobicContact CG-CD2 3.67Å; F181-F237 HydrophobicContact CG-CE2 4.44Å |
| 182 | N | 94.5 | Very high | 91.5 | Very high | 61 Ų | 61 | 43 Ų | 43 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.9 | -34.7 | 175.5 | -74.2 | -25.7 | 0 | 0 | 0 | 113 | Q178 R179 R180 K185 N186 | Q178-N182 PolarHBondContact O-N 3.44Å; Q178-N182 PolarHBondContact O-ND2 3.15Å; R179-N182 PolarHBondContact O-N 2.77Å; R180-N182 VanDerWaalsContact C-N 3.3Å; R180-N182 PolarHBondContact O-N 3.03Å; N182-K185 VanDerWaalsContact OD1-CE 3.3Å; N182-K185 WeakPolarHBondContact OD1-CE 3.42Å; N182-N186 WeakPolarHBondContact O-CB 3.44Å; N182-N186 PolarHBondContact O-N 2.84Å; N182-N186 PolarHBondContact O-ND2 2.9Å; N182-N186 VanDerWaalsContact O-ND2 3.1Å |
| 183 | L | 94.7 | Very high | 91.7 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 173.8 | -64.1 | 173.4 | 0 | 0 | 0 | 111.8 | R179 R180 F181 N186 F187 W336 | R179-L183 PolarHBondContact O-N 2.81Å; R180-L183 CarbonylContact O-C 3.6Å; R180-L183 WeakPolarHBondContact O-CA 3.42Å; R180-L183 WeakPolarHBondContact O-CB 3.47Å; R180-L183 PolarHBondContact O-N 2.94Å; F181-L183 VanDerWaalsContact C-N 3.32Å; F181-L183 PolarHBondContact O-N 3.15Å; L183-N186 PolarHBondContact O-N 2.86Å; L183-F187 PolarHBondContact O-N 2.91Å; L183-W336 HydrophobicContact CB-CB 3.96Å; L183-W336 HydrophobicContact CB-CD2 4.36Å; L183-W336 HydrophobicContact CB-CE3 4.45Å; L183-W336 HydrophobicContact CB-CG 4.19Å; L183-W336 HydrophobicContact CD1-CB 3.6Å; L183-W336 HydrophobicContact CD1-CG 4.31Å; L183-W336 HydrophobicContact CG-CB 4.38Å |
| 184 | Q | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -50.1 | 174.7 | -176.2 | 178.6 | 88.4 | 0 | 0 | 111.2 | I170 D171 I176 R180 F181 N186 F187 V188 F273 W336 | I170-Q184 HydrophobicContact CB-CG 4.48Å; I170-Q184 HydrophobicContact CG2-CG 4.28Å; D171-Q184 PolarHBondContact O-OE1 3.33Å; I176-Q184 HydrophobicContact CD1-CB 4.41Å; I176-Q184 VanDerWaalsContact CD1-NE2 3.33Å; R180-Q184 PolarHBondContact O-N 3.26Å; F181-Q184 WeakPolarHBondContact O-CB 3.33Å; F181-Q184 PolarHBondContact O-N 3.35Å; Q184-N186 VanDerWaalsContact C-N 3.28Å; Q184-N186 PolarHBondContact O-N 3.05Å; Q184-F187 WeakPolarHBondContact O-CB 3.47Å; Q184-F187 PolarHBondContact O-N 3.36Å; Q184-V188 WeakPolarHBondContact O-CG2 3.47Å; Q184-V188 PolarHBondContact O-N 3.21Å; Q184-F273 HydrophobicContact CG-CB 4.28Å; Q184-F273 HydrophobicContact CG-CG 4.37Å; Q184-W336 HydrophobicContact CB-CH2 3.6Å; Q184-W336 HydrophobicContact CB-CZ2 3.91Å; Q184-W336 HydrophobicContact CB-CZ3 3.97Å; Q184-W336 HydrophobicContact CG-CH2 3.56Å; Q184-W336 HydrophobicContact CG-CZ2 4.1Å; Q184-W336 HydrophobicContact CG-CZ3 4.21Å |
| 185 | K | 95.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 8% | 0.078 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.5 | -44 | 173.8 | -67.9 | -163.1 | -54.2 | 169.7 | 0 | 112.2 | I170 F181 N182 F187 V188 G189 I232 K233 V235 | I170-K185 HydrophobicContact CD1-CG 4.46Å; F181-K185 HydrophobicContact CD1-CD 4.17Å; F181-K185 HydrophobicContact CD1-CG 4.43Å; F181-K185 HydrophobicContact CE1-CD 3.57Å; F181-K185 HydrophobicContact CE1-CG 4.12Å; F181-K185 HydrophobicContact CE2-CG 4.45Å; F181-K185 HydrophobicContact CZ-CD 3.84Å; F181-K185 HydrophobicContact CZ-CG 4.14Å; F181-K185 WeakPolarHBondContact O-CG 3.33Å; F181-K185 PolarHBondContact O-N 2.79Å; N182-K185 VanDerWaalsContact OD1-CE 3.3Å; N182-K185 WeakPolarHBondContact OD1-CE 3.42Å; K185-F187 VanDerWaalsContact C-N 3.34Å; K185-F187 PolarHBondContact O-N 3.38Å; K185-V188 PolarHBondContact O-N 3.39Å; K185-G189 PolarHBondContact O-N 3.25Å; K185-I232 HydrophobicContact CB-CG2 3.93Å; K185-I232 WeakPolarHBondContact CD-O 3.47Å; K185-I232 HydrophobicContact CG-CG2 4.4Å; K185-I232 WeakPolarHBondContact O-CG2 3.42Å; K185-K233 PolarHBondContact NZ-O 3.5Å; K185-V235 HydrophobicContact CD-CB 4.15Å; K185-V235 PolarHBondContact NZ-O 2.87Å |
| 186 | N | 95.7 | Very high | 93.2 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 177.3 | -76 | -31.4 | 0 | 0 | 0 | 112.6 | N182 L183 Q184 K190 | N182-N186 WeakPolarHBondContact O-CB 3.44Å; N182-N186 PolarHBondContact O-N 2.84Å; N182-N186 PolarHBondContact O-ND2 2.9Å; N182-N186 VanDerWaalsContact O-ND2 3.1Å; L183-N186 PolarHBondContact O-N 2.86Å; Q184-N186 VanDerWaalsContact C-N 3.28Å; Q184-N186 PolarHBondContact O-N 3.05Å; N186-K190 WeakPolarHBondContact O-CG 3.43Å; N186-K190 PolarHBondContact O-N 3.42Å; N186-K190 VanDerWaalsContact O-N 3.12Å |
| 187 | F | 96.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.1 | -50.6 | 175.2 | -178.8 | -98.6 | 0 | 0 | 0 | 111.5 | L183 Q184 K185 G189 K190 V191 F273 M333 W336 T339 V343 L346 | L183-F187 PolarHBondContact O-N 2.91Å; Q184-F187 WeakPolarHBondContact O-CB 3.47Å; Q184-F187 PolarHBondContact O-N 3.36Å; K185-F187 VanDerWaalsContact C-N 3.34Å; K185-F187 PolarHBondContact O-N 3.38Å; F187-G189 VanDerWaalsContact C-N 3.25Å; F187-G189 PolarHBondContact O-N 3.27Å; F187-K190 WeakPolarHBondContact O-CB 3.46Å; F187-K190 PolarHBondContact O-N 3.01Å; F187-V191 HydrophobicContact CD1-CG2 4.1Å; F187-V191 HydrophobicContact CE1-CG2 3.68Å; F187-V191 HydrophobicContact CZ-CG2 3.95Å; F187-V191 WeakPolarHBondContact O-CG2 3.38Å; F187-V191 PolarHBondContact O-N 3.06Å; F187-F273 HydrophobicContact CD1-CD1 4.47Å; F187-F273 AromaticContact CD1-CE1 3.4Å; F187-F273 HydrophobicContact CD1-CE1 3.4Å; F187-F273 AromaticContact CD1-CZ 3.7Å; F187-F273 HydrophobicContact CD1-CZ 3.7Å; F187-F273 AromaticContact CE1-CE1 3.43Å; F187-F273 HydrophobicContact CE1-CE1 3.43Å; F187-F273 VanDerWaalsContact CE1-CE1 3.43Å; F187-F273 AromaticContact CE1-CZ 3.69Å; F187-F273 HydrophobicContact CE1-CZ 3.69Å; F187-M333 HydrophobicContact CD2-CE 4.36Å; F187-M333 HydrophobicContact CE1-SD 4.16Å; F187-M333 HydrophobicContact CE2-CE 4.2Å; F187-M333 HydrophobicContact CE2-SD 3.94Å; F187-M333 HydrophobicContact CZ-CE 4.48Å; F187-M333 HydrophobicContact CZ-SD 3.7Å; F187-W336 HydrophobicContact CB-CZ3 4.16Å; F187-W336 HydrophobicContact CG-CZ3 4.48Å; F187-T339 VanDerWaalsContact CD2-CB 3.48Å; F187-T339 HydrophobicContact CD2-CG2 4.41Å; F187-T339 WeakPolarHBondContact CE2-O 3.43Å; F187-V343 HydrophobicContact CD2-CG2 3.99Å; F187-V343 HydrophobicContact CE2-CG2 3.58Å; F187-V343 HydrophobicContact CZ-CG2 4.29Å; F187-L346 HydrophobicContact CE1-CD2 3.84Å; F187-L346 HydrophobicContact CZ-CD2 4.08Å |
| 188 | V | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -40.9 | 177 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | F168 I170 Q184 K185 K190 V191 A192 L206 I232 F273 | F168-V188 HydrophobicContact CB-CG1 3.88Å; F168-V188 HydrophobicContact CD1-CG1 3.92Å; F168-V188 HydrophobicContact CD2-CG1 3.63Å; F168-V188 HydrophobicContact CE1-CG1 4.36Å; F168-V188 HydrophobicContact CE2-CG1 4.09Å; F168-V188 HydrophobicContact CG-CG1 3.52Å; F168-V188 HydrophobicContact CZ-CG1 4.43Å; I170-V188 HydrophobicContact CG2-CG2 3.82Å; Q184-V188 WeakPolarHBondContact O-CG2 3.47Å; Q184-V188 PolarHBondContact O-N 3.21Å; K185-V188 PolarHBondContact O-N 3.39Å; V188-K190 PolarHBondContact O-N 2.84Å; V188-V191 PolarHBondContact O-N 3.02Å; V188-A192 WeakPolarHBondContact O-CB 3.15Å; V188-A192 PolarHBondContact O-N 3.31Å; V188-L206 HydrophobicContact CG1-CD1 4.33Å; V188-I232 HydrophobicContact CG1-CD1 3.94Å; V188-F273 HydrophobicContact CG2-CD2 4.07Å; V188-F273 HydrophobicContact CG2-CE2 3.55Å; V188-F273 HydrophobicContact CG2-CZ 3.83Å |
| 189 | G | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K185 F187 A192 L193 | K185-G189 PolarHBondContact O-N 3.25Å; F187-G189 VanDerWaalsContact C-N 3.25Å; F187-G189 PolarHBondContact O-N 3.27Å; G189-A192 PolarHBondContact O-N 2.85Å; G189-L193 WeakPolarHBondContact O-CG 3.43Å; G189-L193 PolarHBondContact O-N 3.22Å |
| 190 | K | 96.8 | Very high | 93.4 | Very high | 82 Ų | 82 | 35.3 Ų | 35.3 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67 | -39.3 | 174.9 | -71.3 | 172.5 | -179.3 | 178.9 | 0 | 112.2 | N186 F187 V188 L193 M194 T340 V343 | N186-K190 WeakPolarHBondContact O-CG 3.43Å; N186-K190 PolarHBondContact O-N 3.42Å; N186-K190 VanDerWaalsContact O-N 3.12Å; F187-K190 WeakPolarHBondContact O-CB 3.46Å; F187-K190 PolarHBondContact O-N 3.01Å; V188-K190 PolarHBondContact O-N 2.84Å; K190-L193 PolarHBondContact O-N 3.43Å; K190-M194 PolarHBondContact O-N 3Å; K190-M194 VanDerWaalsContact O-N 3.13Å; K190-T340 PolarHBondContact NZ-OG1 3.12Å; K190-V343 HydrophobicContact CB-CG1 4.37Å; K190-V343 HydrophobicContact CB-CG2 3.89Å; K190-V343 HydrophobicContact CD-CG2 4.42Å |
| 191 | V | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | F168 F187 V188 L193 M194 L195 V343 L346 V347 L350 | F168-V191 HydrophobicContact CE1-CG1 3.98Å; F168-V191 HydrophobicContact CZ-CB 4.34Å; F168-V191 HydrophobicContact CZ-CG1 3.72Å; F187-V191 HydrophobicContact CD1-CG2 4.1Å; F187-V191 HydrophobicContact CE1-CG2 3.68Å; F187-V191 HydrophobicContact CZ-CG2 3.95Å; F187-V191 WeakPolarHBondContact O-CG2 3.38Å; F187-V191 PolarHBondContact O-N 3.06Å; V188-V191 PolarHBondContact O-N 3.02Å; V191-L193 VanDerWaalsContact C-N 3.31Å; V191-L193 PolarHBondContact O-N 2.91Å; V191-M194 PolarHBondContact O-N 3.47Å; V191-L195 HydrophobicContact CG1-CD1 4.06Å; V191-L195 HydrophobicContact CG1-CG 4.27Å; V191-L195 WeakPolarHBondContact O-CG 3.23Å; V191-L195 PolarHBondContact O-N 3.05Å; V191-V343 HydrophobicContact CG2-CG1 4.07Å; V191-V343 HydrophobicContact CG2-CG2 4.42Å; V191-L346 HydrophobicContact CG2-CD2 4.1Å; V191-V347 HydrophobicContact CG1-CG2 3.86Å; V191-L350 HydrophobicContact CG1-CD1 4.31Å |
| 192 | A | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.9 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | V188 G189 M194 I197 V228 I232 | V188-A192 WeakPolarHBondContact O-CB 3.15Å; V188-A192 PolarHBondContact O-N 3.31Å; G189-A192 PolarHBondContact O-N 2.85Å; A192-M194 VanDerWaalsContact C-N 3.34Å; A192-M194 PolarHBondContact O-N 2.87Å; A192-I197 HydrophobicContact CB-CD1 3.88Å; A192-I197 VanDerWaalsContact O-CD1 3.29Å; A192-I197 WeakPolarHBondContact O-CD1 3.48Å; A192-V228 HydrophobicContact CB-CG1 3.77Å; A192-I232 HydrophobicContact CB-CD1 4.21Å |
| 193 | L | 94.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 27.9 Ų | 27.9 | 44% | 0.435 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 174.5 | -75.8 | 176.2 | 0 | 0 | 0 | 113.1 | G189 K190 V191 A225 L229 | G189-L193 WeakPolarHBondContact O-CG 3.43Å; G189-L193 PolarHBondContact O-N 3.22Å; K190-L193 PolarHBondContact O-N 3.43Å; V191-L193 VanDerWaalsContact C-N 3.31Å; V191-L193 PolarHBondContact O-N 2.91Å; L193-A225 HydrophobicContact CD2-CB 4.23Å; L193-L229 HydrophobicContact CD1-CD1 4.4Å; L193-L229 HydrophobicContact CD1-CD2 3.96Å; L193-L229 HydrophobicContact CD2-CB 4.44Å; L193-L229 HydrophobicContact CD2-CD2 4.24Å; L193-L229 HydrophobicContact CG-CD2 4.3Å |
| 194 | M | 95.1 | Very high | 93.7 | Very high | 87 Ų | 87 | 25.7 Ų | 25.7 | 43% | 0.429 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -83.2 | -22.7 | -176.1 | -173.7 | 166.2 | -171.5 | 0 | 0 | 113.6 | K190 V191 A192 G196 V343 K344 V347 | K190-M194 PolarHBondContact O-N 3Å; K190-M194 VanDerWaalsContact O-N 3.13Å; V191-M194 PolarHBondContact O-N 3.47Å; A192-M194 VanDerWaalsContact C-N 3.34Å; A192-M194 PolarHBondContact O-N 2.87Å; M194-G196 PolarHBondContact O-N 2.95Å; M194-V343 HydrophobicContact CB-CG1 4.04Å; M194-V343 HydrophobicContact SD-CG1 3.85Å; M194-K344 HydrophobicContact CE-CB 3.57Å; M194-K344 HydrophobicContact CE-CD 4.04Å; M194-K344 HydrophobicContact CE-CG 3.54Å; M194-K344 HydrophobicContact SD-CB 3.91Å; M194-V347 HydrophobicContact CB-CG2 4.07Å; M194-V347 HydrophobicContact CG-CB 4.43Å; M194-V347 HydrophobicContact CG-CG1 4.3Å; M194-V347 HydrophobicContact CG-CG2 4.1Å |
| 195 | L | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -23.4 | 176 | -84.5 | 169.3 | 0 | 0 | 0 | 113.5 | I166 F168 V191 I197 P202 V204 V347 L350 | I166-L195 HydrophobicContact CD1-CD1 3.78Å; I166-L195 HydrophobicContact CD1-CD2 3.84Å; F168-L195 HydrophobicContact CE2-CD1 4.26Å; F168-L195 HydrophobicContact CZ-CD1 3.82Å; V191-L195 HydrophobicContact CG1-CD1 4.06Å; V191-L195 HydrophobicContact CG1-CG 4.27Å; V191-L195 WeakPolarHBondContact O-CG 3.23Å; V191-L195 PolarHBondContact O-N 3.05Å; L195-I197 HydrophobicContact CB-CG1 4.32Å; L195-P202 HydrophobicContact CB-CG 3.84Å; L195-P202 HydrophobicContact CD2-CG 4.28Å; L195-P202 WeakPolarHBondContact O-CG 3.24Å; L195-V204 HydrophobicContact CD1-CG1 4Å; L195-V347 HydrophobicContact CD2-CG1 4.11Å; L195-V347 HydrophobicContact CD2-CG2 4.37Å; L195-V347 HydrophobicContact CG-CG2 4.21Å; L195-L350 HydrophobicContact CD2-CB 4.45Å |
| 196 | G | 89 | Confident | 94 | Very high | 24 Ų | 24 | 24.8 Ų | 24.8 | 25% | 0.247 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 46.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G158 N159 M194 G198 | G158-G196 CarbonylContact C-O 3.5Å; G158-G196 WeakPolarHBondContact CA-O 3.4Å; N159-G196 PolarHBondContact N-O 3.3Å; M194-G196 PolarHBondContact O-N 2.95Å; G196-G198 PolarHBondContact O-N 3.34Å |
| 197 | I | 93.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | trans | -55.6 | 131.2 | 179.4 | -61.9 | 156.7 | 0 | 0 | 0 | 111 | A192 L195 P202 V204 A225 V228 | A192-I197 HydrophobicContact CB-CD1 3.88Å; A192-I197 VanDerWaalsContact O-CD1 3.29Å; A192-I197 WeakPolarHBondContact O-CD1 3.48Å; L195-I197 HydrophobicContact CB-CG1 4.32Å; I197-P202 HydrophobicContact CG1-CG 4.42Å; I197-V204 HydrophobicContact CD1-CB 4.37Å; I197-V204 HydrophobicContact CD1-CG1 3.9Å; I197-V204 HydrophobicContact CD1-CG2 3.45Å; I197-V204 VanDerWaalsContact CD1-CG2 3.45Å; I197-V204 HydrophobicContact CG1-CG1 3.99Å; I197-V204 HydrophobicContact CG1-CG2 4.21Å; I197-A225 HydrophobicContact CB-CB 4.07Å; I197-A225 HydrophobicContact CD1-CB 4.17Å; I197-A225 HydrophobicContact CG1-CB 4.49Å; I197-V228 HydrophobicContact CD1-CB 4.16Å; I197-V228 HydrophobicContact CD1-CG1 4.15Å; I197-V228 HydrophobicContact CD1-CG2 4.06Å | ||
| 198 | G | 85.2 | Confident | 94 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -176.1 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K156 T157 G196 E200 G201 T223 | K156-G198 WeakPolarHBondContact O-CA 3.21Å; T157-G198 CarbonylContact O-C 3.29Å; G196-G198 PolarHBondContact O-N 3.34Å; G198-E200 VanDerWaalsContact C-N 3.27Å; G198-E200 PolarHBondContact O-N 3.19Å; G198-G201 PolarHBondContact O-N 3.04Å; G198-G201 VanDerWaalsContact O-N 3.1Å; G198-T223 WeakPolarHBondContact CA-O 3.42Å |
| 199 | T | 85.2 | Confident | 93.8 | Very high | 41 Ų | 41 | 20.8 Ų | 20.8 | 25% | 0.252 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.6 | -174.2 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | K155 K156 T157 | K155-T199 HydrophobicContact CB-CG2 4.19Å; K155-T199 HydrophobicContact CD-CG2 4.01Å; K155-T199 HydrophobicContact CG-CG2 4Å; K156-T199 PolarHBondContact O-N 3.28Å; T157-T199 PolarHBondContact O-N 3.27Å |
| 200 | E | 85 | Confident | 93.4 | Very high | 86 Ų | 86 | 21 Ų | 21 | 40% | 0.402 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -1.2 | 175.5 | -57.7 | -66.9 | 135.9 | 0 | 0 | 112.4 | T157 K160 G198 | T157-E200 CarbonylContact O-C 3.55Å; T157-E200 VanDerWaalsContact O-CA 3.29Å; T157-E200 WeakPolarHBondContact O-CA 3.32Å; T157-E200 WeakPolarHBondContact O-CB 3.48Å; T157-E200 PolarHBondContact O-N 3.16Å; K160-E200 HydrophobicContact CG-CB 3.94Å; G198-E200 VanDerWaalsContact C-N 3.27Å; G198-E200 PolarHBondContact O-N 3.19Å |
| 201 | G | 90.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -100.8 | -158.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T157 N159 C162 G198 R263 | T157-G201 PolarHBondContact O-N 3.24Å; N159-G201 WeakPolarHBondContact O-CA 3.22Å; C162-G201 CarbonylContact O-C 2.96Å; G198-G201 PolarHBondContact O-N 3.04Å; G198-G201 VanDerWaalsContact O-N 3.1Å; G201-R263 PolarHBondContact O-NH1 3.09Å; G201-R263 PolarHBondContact O-NH2 3.39Å |
| 202 | P | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -75 | 143.5 | 176.7 | 29.5 | -30.1 | 0 | 0 | 0 | 110.5 | C162 A164 I166 L195 I197 | C162-P202 WeakPolarHBondContact O-CD 3.41Å; C162-P202 VanDerWaalsContact O-N 3.09Å; A164-P202 WeakPolarHBondContact O-CA 3.4Å; A164-P202 WeakPolarHBondContact O-CB 3.39Å; I166-P202 HydrophobicContact CD1-CB 4.25Å; L195-P202 HydrophobicContact CB-CG 3.84Å; L195-P202 HydrophobicContact CD2-CG 4.28Å; L195-P202 WeakPolarHBondContact O-CG 3.24Å; I197-P202 HydrophobicContact CG1-CG 4.42Å | ||
| 203 | H | 95.6 | Very high | 92.4 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 13% | 0.125 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 142.8 | 168.9 | -69.1 | 179.1 | 0 | 0 | 0 | 108.7 | A164 I166 L219 | A164-H203 PolarHBondContact O-N 2.91Å; I166-H203 PolarHBondContact N-O 3.04Å; H203-L219 HydrophobicContact CB-CB 4.07Å; H203-L219 HydrophobicContact CB-CD2 4.01Å; H203-L219 WeakPolarHBondContact O-CD2 3.18Å |
| 204 | V | 97.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.4 | -176.8 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | I166 F168 L195 I197 V228 | I166-V204 HydrophobicContact CB-CG1 4.16Å; I166-V204 HydrophobicContact CD1-CG1 4.48Å; I166-V204 CarbonylContact O-C 3.48Å; I166-V204 WeakPolarHBondContact O-CA 3.42Å; F168-V204 HydrophobicContact CD2-CB 4.44Å; F168-V204 HydrophobicContact CE2-CB 4.14Å; F168-V204 HydrophobicContact CE2-CG1 4.12Å; L195-V204 HydrophobicContact CD1-CG1 4Å; I197-V204 HydrophobicContact CD1-CB 4.37Å; I197-V204 HydrophobicContact CD1-CG1 3.9Å; I197-V204 HydrophobicContact CD1-CG2 3.45Å; I197-V204 VanDerWaalsContact CD1-CG2 3.45Å; I197-V204 HydrophobicContact CG1-CG1 3.99Å; I197-V204 HydrophobicContact CG1-CG2 4.21Å; V204-V228 HydrophobicContact CG2-CB 4.28Å; V204-V228 HydrophobicContact CG2-CG1 3.6Å; V204-V228 HydrophobicContact CG2-CG2 3.72Å |
| 205 | G | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | -178.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I166 F168 F217 | I166-G205 PolarHBondContact O-N 3.13Å; F168-G205 PolarHBondContact N-O 2.98Å; G205-F217 VanDerWaalsContact CA-CE2 3.5Å; G205-F217 VanDerWaalsContact CA-O 3.3Å; G205-F217 WeakPolarHBondContact CA-O 3.12Å |
| 206 | L | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 132.5 | -173.8 | -170.6 | 75.9 | 0 | 0 | 0 | 110.4 | F168 I170 V188 E216 F217 I232 V235 | F168-L206 HydrophobicContact CB-CD1 3.61Å; F168-L206 CarbonylContact O-C 3.55Å; F168-L206 WeakPolarHBondContact O-CA 3.21Å; I170-L206 HydrophobicContact CB-CD1 4.46Å; I170-L206 HydrophobicContact CD1-CD1 3.93Å; I170-L206 HydrophobicContact CD1-CD2 3.9Å; I170-L206 HydrophobicContact CD1-CG 4.1Å; I170-L206 HydrophobicContact CG1-CD1 3.93Å; I170-L206 HydrophobicContact CG1-CG 4.23Å; I170-L206 HydrophobicContact CG2-CD1 3.75Å; V188-L206 HydrophobicContact CG1-CD1 4.33Å; L206-E216 HydrophobicContact CB-CB 4.32Å; L206-E216 HydrophobicContact CD2-CB 4.21Å; L206-E216 HydrophobicContact CD2-CG 4.31Å; L206-E216 PolarHBondContact O-N 2.88Å; L206-F217 HydrophobicContact CB-CD1 3.92Å; L206-F217 HydrophobicContact CB-CE1 3.38Å; L206-F217 HydrophobicContact CB-CE2 4.16Å; L206-F217 HydrophobicContact CB-CZ 3.52Å; L206-F217 HydrophobicContact CD2-CE1 3.84Å; L206-F217 HydrophobicContact CD2-CZ 4.46Å; L206-F217 HydrophobicContact CG-CE1 4.27Å; L206-F217 PolarHBondContact N-O 3.14Å; L206-F217 PolarHBondContact O-N 3.16Å; L206-I232 HydrophobicContact CD2-CG1 4.34Å; L206-V235 HydrophobicContact CD2-CB 4.3Å; L206-V235 HydrophobicContact CD2-CG1 4.26Å; L206-V235 HydrophobicContact CD2-CG2 3.49Å; L206-V235 VanDerWaalsContact CD2-CG2 3.49Å |
| 207 | V | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134 | 174.4 | -171.9 | 0 | 0 | 0 | 0 | 108 | F168 L169 I170 K214 I215 T251 F255 | F168-V207 PolarHBondContact O-N 3.14Å; L169-V207 CarbonylContact C-O 3.54Å; L169-V207 WeakPolarHBondContact CA-O 3.19Å; I170-V207 WeakPolarHBondContact CG1-O 3.3Å; I170-V207 PolarHBondContact N-O 3.02Å; V207-K214 CarbonylContact C-O 3.45Å; V207-K214 WeakPolarHBondContact CA-O 3.37Å; V207-K214 WeakPolarHBondContact CG1-O 3.22Å; V207-I215 HydrophobicContact CG1-CG1 4.41Å; V207-I215 HydrophobicContact CG2-CG1 4.11Å; V207-T251 HydrophobicContact CG2-CG2 4.08Å; V207-F255 HydrophobicContact CG2-CD2 3.7Å; V207-F255 HydrophobicContact CG2-CE2 4.04Å; V207-F255 HydrophobicContact CG2-CG 4.46Å |
| 208 | Q | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.7 | 175.3 | -168.8 | 174.9 | 16.6 | 0 | 0 | 109.8 | I170 F181 P213 K214 E216 G236 | I170-Q208 HydrophobicContact CG1-CB 4.31Å; I170-Q208 HydrophobicContact CG1-CG 4.38Å; I170-Q208 CarbonylContact O-C 3.53Å; I170-Q208 WeakPolarHBondContact O-CA 3.09Å; F181-Q208 VanDerWaalsContact CZ-NE2 3.25Å; Q208-P213 WeakPolarHBondContact O-CA 3.48Å; Q208-K214 PolarHBondContact N-O 2.82Å; Q208-K214 PolarHBondContact O-N 3.31Å; Q208-E216 HydrophobicContact CB-CG 4.41Å; Q208-E216 PolarHBondContact OE1-OE1 3.48Å; Q208-G236 PolarHBondContact NE2-O 2.81Å; Q208-G236 PolarHBondContact OE1-O 3.35Å |
| 209 | A | 92.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | L169 I170 G172 A247 | L169-A209 HydrophobicContact CD2-CB 3.65Å; I170-A209 PolarHBondContact O-N 3.23Å; G172-A209 VanDerWaalsContact CA-O 3.29Å; G172-A209 WeakPolarHBondContact CA-O 3.33Å; G172-A209 PolarHBondContact N-O 3.21Å; A209-A247 HydrophobicContact CB-CB 3.61Å |
| 210 | S | 88.5 | Confident | 94.3 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -164.1 | -158 | 174.6 | 60.2 | 0 | 0 | 0 | 0 | 107.1 | H212 R238 G239 N241 N243 | S210-H212 PolarHBondContact O-N 3.2Å; S210-H212 VanDerWaalsContact O-N 3.16Å; S210-H212 PolarHBondContact OG-O 3.34Å; S210-R238 PolarHBondContact OG-NH1 2.77Å; S210-G239 WeakPolarHBondContact CB-O 3.42Å; S210-N241 CarbonylContact C-O 3.57Å; S210-N241 WeakPolarHBondContact CA-O 3.37Å; S210-N243 WeakPolarHBondContact O-CB 3.49Å |
| 211 | E | 85.4 | Confident | 94.7 | Very high | 66 Ų | 66 | 33.4 Ų | 33.4 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -49.3 | -41.7 | 170.7 | -167.1 | 59.4 | -127.2 | 0 | 0 | 112.4 | N241 N243 K246 | E211-N241 PolarHBondContact N-O 2.89Å; E211-N241 VanDerWaalsContact N-O 3.14Å; E211-N241 WeakPolarHBondContact OE2-CB 2.98Å; E211-N241 PolarHBondContact OE2-N 2.82Å; E211-N241 PolarHBondContact OE2-ND2 3.32Å; E211-N243 PolarHBondContact O-ND2 3.13Å; E211-N243 VanDerWaalsContact O-ND2 3.08Å; E211-N243 PolarHBondContact OE1-ND2 2.92Å; E211-K246 PolarHBondContact O-NZ 3.36Å |
| 212 | H | 89.2 | Confident | 94.9 | Very high | 111 Ų | 111 | 36.1 Ų | 36.1 | 51% | 0.514 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -130.9 | 117 | 179.6 | -64.6 | 95.9 | 0 | 0 | 0 | 109.5 | S210 K214 R238 | S210-H212 PolarHBondContact O-N 3.2Å; S210-H212 VanDerWaalsContact O-N 3.16Å; S210-H212 PolarHBondContact OG-O 3.34Å; H212-K214 PolarHBondContact O-N 2.89Å; H212-R238 PolarHBondContact O-NH1 2.03Å |
| 213 | P | 94.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | trans | -59.7 | 141 | -179.9 | 24.2 | -32.7 | 0 | 0 | 0 | 111.5 | Q208 K246 A247 H250 | Q208-P213 WeakPolarHBondContact O-CA 3.48Å; P213-K246 HydrophobicContact CG-CG 4.45Å; P213-A247 HydrophobicContact CB-CB 3.81Å; P213-H250 HydrophobicContact CB-CB 4.16Å; P213-H250 HydrophobicContact CG-CB 3.67Å | ||
| 214 | K | 95.3 | Very high | 94.4 | Very high | 88 Ų | 88 | 39.5 Ų | 39.5 | 38% | 0.383 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130 | 175.9 | 174.5 | 173.5 | 172.3 | -121.4 | 0 | 110.5 | V207 Q208 H212 E216 | V207-K214 CarbonylContact C-O 3.45Å; V207-K214 WeakPolarHBondContact CA-O 3.37Å; V207-K214 WeakPolarHBondContact CG1-O 3.22Å; Q208-K214 PolarHBondContact N-O 2.82Å; Q208-K214 PolarHBondContact O-N 3.31Å; H212-K214 PolarHBondContact O-N 2.89Å; K214-E216 VanDerWaalsContact CD-OE1 3.26Å; K214-E216 WeakPolarHBondContact CD-OE1 3.15Å; K214-E216 WeakPolarHBondContact CE-OE1 3.29Å; K214-E216 WeakPolarHBondContact CG-OE1 3.33Å; K214-E216 IonicContact NZ-OE1 2.83Å; K214-E216 PolarHBondContact NZ-OE1 2.89Å; K214-E216 IonicContact NZ-OE2 3.57Å; K214-E216 PolarHBondContact NZ-OE2 3Å; K214-E216 PolarHBondContact O-N 3.13Å |
| 215 | I | 97.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 40.2 Ų | 40.2 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 115 | 169.9 | -56.8 | 172.9 | 0 | 0 | 0 | 106.8 | V207 Y218 F255 | V207-I215 HydrophobicContact CG1-CG1 4.41Å; V207-I215 HydrophobicContact CG2-CG1 4.11Å; I215-Y218 HydrophobicContact CB-CE1 4.39Å; I215-Y218 HydrophobicContact CD1-CD1 4.45Å; I215-Y218 HydrophobicContact CD1-CE1 3.52Å; I215-Y218 HydrophobicContact CG1-CE1 4.48Å; I215-Y218 HydrophobicContact CG2-CD1 3.85Å; I215-Y218 HydrophobicContact CG2-CD2 4.17Å; I215-Y218 HydrophobicContact CG2-CE1 3.72Å; I215-Y218 HydrophobicContact CG2-CE2 4Å; I215-Y218 HydrophobicContact CG2-CG 4.09Å; I215-F255 HydrophobicContact CD1-CB 4.35Å; I215-F255 HydrophobicContact CD1-CD2 4.19Å; I215-F255 HydrophobicContact CG1-CD2 4.29Å; I215-F255 HydrophobicContact CG2-CD2 3.85Å; I215-F255 HydrophobicContact CG2-CE2 4Å |
| 216 | E | 97.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 22% | 0.22 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -39.4 | 179 | -65.8 | -61.5 | 148.8 | 0 | 0 | 110.8 | L206 Q208 K214 V235 | L206-E216 HydrophobicContact CB-CB 4.32Å; L206-E216 HydrophobicContact CD2-CB 4.21Å; L206-E216 HydrophobicContact CD2-CG 4.31Å; L206-E216 PolarHBondContact O-N 2.88Å; Q208-E216 HydrophobicContact CB-CG 4.41Å; Q208-E216 PolarHBondContact OE1-OE1 3.48Å; K214-E216 VanDerWaalsContact CD-OE1 3.26Å; K214-E216 WeakPolarHBondContact CD-OE1 3.15Å; K214-E216 WeakPolarHBondContact CE-OE1 3.29Å; K214-E216 WeakPolarHBondContact CG-OE1 3.33Å; K214-E216 IonicContact NZ-OE1 2.83Å; K214-E216 PolarHBondContact NZ-OE1 2.89Å; K214-E216 IonicContact NZ-OE2 3.57Å; K214-E216 PolarHBondContact NZ-OE2 3Å; K214-E216 PolarHBondContact O-N 3.13Å; E216-V235 HydrophobicContact CB-CG2 4.18Å; E216-V235 HydrophobicContact CG-CG1 3.88Å; E216-V235 HydrophobicContact CG-CG2 4.12Å |
| 217 | F | 97.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 50 Ų | 50 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 151.5 | 170 | 57 | -91.2 | 0 | 0 | 0 | 111.3 | G205 L206 N221 F222 V228 A231 I232 | G205-F217 VanDerWaalsContact CA-CE2 3.5Å; G205-F217 VanDerWaalsContact CA-O 3.3Å; G205-F217 WeakPolarHBondContact CA-O 3.12Å; L206-F217 HydrophobicContact CB-CD1 3.92Å; L206-F217 HydrophobicContact CB-CE1 3.38Å; L206-F217 HydrophobicContact CB-CE2 4.16Å; L206-F217 HydrophobicContact CB-CZ 3.52Å; L206-F217 HydrophobicContact CD2-CE1 3.84Å; L206-F217 HydrophobicContact CD2-CZ 4.46Å; L206-F217 HydrophobicContact CG-CE1 4.27Å; L206-F217 PolarHBondContact N-O 3.14Å; L206-F217 PolarHBondContact O-N 3.16Å; F217-N221 HydrophobicContact CB-CB 4.06Å; F217-F222 HydrophobicContact CB-CE2 3.89Å; F217-F222 HydrophobicContact CD1-CE2 4.02Å; F217-F222 AromaticContact CD2-CD2 3.62Å; F217-F222 HydrophobicContact CD2-CD2 3.62Å; F217-F222 AromaticContact CD2-CE2 3.65Å; F217-F222 HydrophobicContact CD2-CE2 3.65Å; F217-F222 HydrophobicContact CE1-CE2 4.46Å; F217-F222 AromaticContact CE2-CD2 3.89Å; F217-F222 HydrophobicContact CE2-CD2 3.89Å; F217-F222 HydrophobicContact CE2-CE2 4.12Å; F217-F222 HydrophobicContact CG-CD2 4.08Å; F217-F222 AromaticContact CG-CE2 3.6Å; F217-F222 HydrophobicContact CG-CE2 3.6Å; F217-V228 HydrophobicContact CE2-CG1 4.46Å; F217-V228 HydrophobicContact CZ-CG1 4.29Å; F217-A231 HydrophobicContact CD1-CB 4.22Å; F217-A231 HydrophobicContact CE1-CB 3.94Å; F217-A231 HydrophobicContact CZ-CB 4.38Å; F217-I232 HydrophobicContact CE1-CG1 4.26Å; F217-I232 HydrophobicContact CZ-CG1 4Å |
| 218 | Y | 98.1 | Very high | 93.4 | Very high | 86 Ų | 86 | 50 Ų | 50 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | trans | -93.5 | 172.9 | -179.7 | -62 | -86.1 | 0 | 0 | 0 | 112.5 | I215 K220 N221 F255 A260 | I215-Y218 HydrophobicContact CB-CE1 4.39Å; I215-Y218 HydrophobicContact CD1-CD1 4.45Å; I215-Y218 HydrophobicContact CD1-CE1 3.52Å; I215-Y218 HydrophobicContact CG1-CE1 4.48Å; I215-Y218 HydrophobicContact CG2-CD1 3.85Å; I215-Y218 HydrophobicContact CG2-CD2 4.17Å; I215-Y218 HydrophobicContact CG2-CE1 3.72Å; I215-Y218 HydrophobicContact CG2-CE2 4Å; I215-Y218 HydrophobicContact CG2-CG 4.09Å; Y218-K220 VanDerWaalsContact C-N 3.26Å; Y218-K220 PolarHBondContact O-N 3.16Å; Y218-N221 WeakPolarHBondContact CA-OD1 3.32Å; Y218-N221 WeakPolarHBondContact CB-OD1 3.48Å; Y218-N221 PolarHBondContact N-OD1 2.84Å; Y218-N221 WeakPolarHBondContact O-CB 3.12Å; Y218-N221 PolarHBondContact O-N 2.96Å; Y218-N221 VanDerWaalsContact O-N 3.15Å; Y218-N221 PolarHBondContact O-OD1 2.93Å; Y218-F255 HydrophobicContact CD1-CD2 4.03Å; Y218-F255 HydrophobicContact CD1-CE2 4.21Å; Y218-F255 HydrophobicContact CE1-CD2 4.45Å; Y218-A260 WeakPolarHBondContact CB-O 3.44Å; Y218-A260 HydrophobicContact CD1-CB 3.41Å; Y218-A260 VanDerWaalsContact CD1-CB 3.41Å; Y218-A260 HydrophobicContact CE1-CB 3.99Å; Y218-A260 HydrophobicContact CG-CB 4Å | ||
| 219 | L | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -36.4 | -179.1 | -61.7 | 169.2 | 0 | 0 | 0 | 113.2 | D165 H203 F255 F256 A260 V262 | D165-L219 HydrophobicContact CB-CD1 3.8Å; D165-L219 HydrophobicContact CB-CD2 4.16Å; H203-L219 HydrophobicContact CB-CB 4.07Å; H203-L219 HydrophobicContact CB-CD2 4.01Å; H203-L219 WeakPolarHBondContact O-CD2 3.18Å; L219-F255 HydrophobicContact CD1-CE1 4.04Å; L219-F255 HydrophobicContact CD2-CE1 3.79Å; L219-F255 HydrophobicContact CD2-CZ 4.06Å; L219-F255 HydrophobicContact CG-CE1 3.61Å; L219-F255 HydrophobicContact CG-CZ 3.93Å; L219-F256 HydrophobicContact CD1-CD1 4.16Å; L219-F256 HydrophobicContact CD1-CE1 4.43Å; L219-A260 PolarHBondContact N-O 3.3Å; L219-V262 HydrophobicContact CD1-CB 4.07Å; L219-V262 HydrophobicContact CD1-CG2 4.33Å |
| 220 | K | 94.1 | Very high | 93.5 | Very high | 131 Ų | 131 | 57.2 Ų | 57.2 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -13.6 | -178.4 | 69.2 | 179.1 | -178.6 | -175.5 | 0 | 115.2 | Y218 F222 D259 A260 | Y218-K220 VanDerWaalsContact C-N 3.26Å; Y218-K220 PolarHBondContact O-N 3.16Å; K220-F222 VanDerWaalsContact C-N 3.34Å; K220-F222 PolarHBondContact O-N 2.78Å; K220-D259 VanDerWaalsContact CD-O 3.28Å; K220-D259 WeakPolarHBondContact CD-O 3.29Å; K220-D259 WeakPolarHBondContact CE-O 3.05Å; K220-D259 PolarHBondContact NZ-O 2.8Å; K220-A260 PolarHBondContact N-O 3.44Å; K220-A260 VanDerWaalsContact N-O 3.17Å |
| 221 | N | 93.8 | Very high | 93.8 | Very high | 81 Ų | 81 | 58 Ų | 58 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -70.3 | -29.8 | -168.8 | -77 | 101.1 | 0 | 0 | 0 | 113.3 | F217 Y218 | F217-N221 HydrophobicContact CB-CB 4.06Å; Y218-N221 WeakPolarHBondContact CA-OD1 3.32Å; Y218-N221 WeakPolarHBondContact CB-OD1 3.48Å; Y218-N221 PolarHBondContact N-OD1 2.84Å; Y218-N221 WeakPolarHBondContact O-CB 3.12Å; Y218-N221 PolarHBondContact O-N 2.96Å; Y218-N221 VanDerWaalsContact O-N 3.15Å; Y218-N221 PolarHBondContact O-OD1 2.93Å |
| 222 | F | 93.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 25% | 0.25 | 27% | 0.267 | C | S | . | . | trans | -138.1 | 138.6 | -176.2 | -57.1 | -69.6 | 0 | 0 | 0 | 111.6 | F217 K220 D227 V228 A231 | F217-F222 HydrophobicContact CB-CE2 3.89Å; F217-F222 HydrophobicContact CD1-CE2 4.02Å; F217-F222 AromaticContact CD2-CD2 3.62Å; F217-F222 HydrophobicContact CD2-CD2 3.62Å; F217-F222 AromaticContact CD2-CE2 3.65Å; F217-F222 HydrophobicContact CD2-CE2 3.65Å; F217-F222 HydrophobicContact CE1-CE2 4.46Å; F217-F222 AromaticContact CE2-CD2 3.89Å; F217-F222 HydrophobicContact CE2-CD2 3.89Å; F217-F222 HydrophobicContact CE2-CE2 4.12Å; F217-F222 HydrophobicContact CG-CD2 4.08Å; F217-F222 AromaticContact CG-CE2 3.6Å; F217-F222 HydrophobicContact CG-CE2 3.6Å; K220-F222 VanDerWaalsContact C-N 3.34Å; K220-F222 PolarHBondContact O-N 2.78Å; F222-D227 HydrophobicContact CB-CB 4.39Å; F222-D227 HydrophobicContact CD1-CB 3.71Å; F222-D227 HydrophobicContact CE1-CB 4.44Å; F222-D227 HydrophobicContact CG-CB 4.34Å; F222-V228 HydrophobicContact CB-CG2 3.47Å; F222-V228 VanDerWaalsContact CB-CG2 3.47Å; F222-V228 HydrophobicContact CD2-CG2 4.16Å; F222-V228 HydrophobicContact CG-CG2 4.06Å; F222-A231 HydrophobicContact CD2-CB 4.15Å; F222-A231 HydrophobicContact CE1-CB 4.16Å; F222-A231 HydrophobicContact CE2-CB 3.34Å; F222-A231 HydrophobicContact CZ-CB 3.35Å | ||
| 223 | T | 88.3 | Confident | 94.6 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -116.4 | 11.5 | 179.6 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | G198 | G198-T223 WeakPolarHBondContact CA-O 3.42Š|
| 224 | S | 91.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -139.8 | 143 | 175.8 | 108 | 0 | 0 | 0 | 0 | 111.7 | K226 D227 V228 | S224-K226 PolarHBondContact O-N 3.12Å; S224-K226 PolarHBondContact OG-N 2.99Å; S224-D227 VanDerWaalsContact CB-OD2 3.26Å; S224-D227 WeakPolarHBondContact CB-OD2 3.29Å; S224-D227 PolarHBondContact O-N 3.05Å; S224-D227 VanDerWaalsContact OG-CG 3.23Å; S224-D227 PolarHBondContact OG-N 2.8Å; S224-D227 PolarHBondContact OG-OD2 2.79Å; S224-V228 PolarHBondContact O-N 2.92Å; S224-V228 VanDerWaalsContact O-N 3.12Å |
| 225 | A | 92.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -27.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L193 I197 L229 | L193-A225 HydrophobicContact CD2-CB 4.23Å; I197-A225 HydrophobicContact CB-CB 4.07Å; I197-A225 HydrophobicContact CD1-CB 4.17Å; I197-A225 HydrophobicContact CG1-CB 4.49Å; A225-L229 WeakPolarHBondContact O-CB 3.49Å; A225-L229 PolarHBondContact O-N 3.23Å |
| 226 | K | 91 | Very high | 94.2 | Very high | 133 Ų | 133 | 58.4 Ų | 58.4 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -70.1 | -43.5 | 176.6 | -71.2 | -173 | 178 | -175.2 | 0 | 111.1 | S224 L229 F230 | S224-K226 PolarHBondContact O-N 3.12Å; S224-K226 PolarHBondContact OG-N 2.99Å; K226-L229 WeakPolarHBondContact O-CB 3.43Å; K226-L229 PolarHBondContact O-N 2.71Å; K226-F230 HydrophobicContact CB-CE2 4.48Å; K226-F230 WeakPolarHBondContact O-CD2 3.5Å; K226-F230 PolarHBondContact O-N 3.21Å |
| 227 | D | 93.3 | Very high | 93.9 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.5 | -39.9 | -178.8 | -53.4 | -42.6 | 0 | 0 | 0 | 110.7 | F222 S224 L229 F230 A231 | F222-D227 HydrophobicContact CB-CB 4.39Å; F222-D227 HydrophobicContact CD1-CB 3.71Å; F222-D227 HydrophobicContact CE1-CB 4.44Å; F222-D227 HydrophobicContact CG-CB 4.34Å; S224-D227 VanDerWaalsContact CB-OD2 3.26Å; S224-D227 WeakPolarHBondContact CB-OD2 3.29Å; S224-D227 PolarHBondContact O-N 3.05Å; S224-D227 VanDerWaalsContact OG-CG 3.23Å; S224-D227 PolarHBondContact OG-N 2.8Å; S224-D227 PolarHBondContact OG-OD2 2.79Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.76Å; D227-F230 PolarHBondContact O-N 3.34Å; D227-A231 WeakPolarHBondContact O-CB 3.38Å; D227-A231 PolarHBondContact O-N 2.84Å |
| 228 | V | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 170.7 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | A192 I197 V204 F217 F222 S224 F230 A231 I232 | A192-V228 HydrophobicContact CB-CG1 3.77Å; I197-V228 HydrophobicContact CD1-CB 4.16Å; I197-V228 HydrophobicContact CD1-CG1 4.15Å; I197-V228 HydrophobicContact CD1-CG2 4.06Å; V204-V228 HydrophobicContact CG2-CB 4.28Å; V204-V228 HydrophobicContact CG2-CG1 3.6Å; V204-V228 HydrophobicContact CG2-CG2 3.72Å; F217-V228 HydrophobicContact CE2-CG1 4.46Å; F217-V228 HydrophobicContact CZ-CG1 4.29Å; F222-V228 HydrophobicContact CB-CG2 3.47Å; F222-V228 VanDerWaalsContact CB-CG2 3.47Å; F222-V228 HydrophobicContact CD2-CG2 4.16Å; F222-V228 HydrophobicContact CG-CG2 4.06Å; S224-V228 PolarHBondContact O-N 2.92Å; S224-V228 VanDerWaalsContact O-N 3.12Å; V228-F230 VanDerWaalsContact C-N 3.33Å; V228-F230 PolarHBondContact O-N 3.5Å; V228-A231 PolarHBondContact O-N 3.39Å; V228-I232 HydrophobicContact CG1-CD1 3.63Å; V228-I232 HydrophobicContact CG1-CG1 4.28Å; V228-I232 VanDerWaalsContact O-CG1 3.26Å; V228-I232 WeakPolarHBondContact O-CG1 3.21Å; V228-I232 PolarHBondContact O-N 3.16Å |
| 229 | L | 95.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.9 | 177.5 | 72.2 | 0 | 0 | 0 | 111.8 | L193 A225 K226 D227 K233 | L193-L229 HydrophobicContact CD1-CD1 4.4Å; L193-L229 HydrophobicContact CD1-CD2 3.96Å; L193-L229 HydrophobicContact CD2-CB 4.44Å; L193-L229 HydrophobicContact CD2-CD2 4.24Å; L193-L229 HydrophobicContact CG-CD2 4.3Å; A225-L229 WeakPolarHBondContact O-CB 3.49Å; A225-L229 PolarHBondContact O-N 3.23Å; K226-L229 WeakPolarHBondContact O-CB 3.43Å; K226-L229 PolarHBondContact O-N 2.71Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.76Å; L229-K233 WeakPolarHBondContact O-CG 3.43Å; L229-K233 PolarHBondContact O-N 2.79Å; L229-K233 VanDerWaalsContact O-N 3.08Å |
| 230 | F | 93.9 | Very high | 91.8 | Very high | 121 Ų | 121 | 59.4 Ų | 59.4 | 53% | 0.531 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 176.7 | -72.3 | -62.3 | 0 | 0 | 0 | 111.1 | K226 D227 V228 I232 K233 E234 | K226-F230 HydrophobicContact CB-CE2 4.48Å; K226-F230 WeakPolarHBondContact O-CD2 3.5Å; K226-F230 PolarHBondContact O-N 3.21Å; D227-F230 PolarHBondContact O-N 3.34Å; V228-F230 VanDerWaalsContact C-N 3.33Å; V228-F230 PolarHBondContact O-N 3.5Å; F230-I232 VanDerWaalsContact C-N 3.35Å; F230-I232 PolarHBondContact O-N 2.74Å; F230-K233 WeakPolarHBondContact O-CB 3.4Å; F230-K233 PolarHBondContact O-N 2.88Å; F230-E234 PolarHBondContact O-N 3.39Å |
| 231 | A | 96.1 | Very high | 91.2 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | F217 F222 D227 V228 K233 E234 V235 | F217-A231 HydrophobicContact CD1-CB 4.22Å; F217-A231 HydrophobicContact CE1-CB 3.94Å; F217-A231 HydrophobicContact CZ-CB 4.38Å; F222-A231 HydrophobicContact CD2-CB 4.15Å; F222-A231 HydrophobicContact CE1-CB 4.16Å; F222-A231 HydrophobicContact CE2-CB 3.34Å; F222-A231 HydrophobicContact CZ-CB 3.35Å; D227-A231 WeakPolarHBondContact O-CB 3.38Å; D227-A231 PolarHBondContact O-N 2.84Å; V228-A231 PolarHBondContact O-N 3.39Å; A231-K233 VanDerWaalsContact C-N 3.29Å; A231-K233 PolarHBondContact O-N 2.93Å; A231-E234 PolarHBondContact O-N 3.33Å; A231-V235 WeakPolarHBondContact O-CG2 3.33Å; A231-V235 PolarHBondContact O-N 2.61Å |
| 232 | I | 97.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 175.7 | -68.6 | 162.6 | 0 | 0 | 0 | 110.8 | K185 V188 A192 L206 F217 V228 F230 E234 V235 | K185-I232 HydrophobicContact CB-CG2 3.93Å; K185-I232 WeakPolarHBondContact CD-O 3.47Å; K185-I232 HydrophobicContact CG-CG2 4.4Å; K185-I232 WeakPolarHBondContact O-CG2 3.42Å; V188-I232 HydrophobicContact CG1-CD1 3.94Å; A192-I232 HydrophobicContact CB-CD1 4.21Å; L206-I232 HydrophobicContact CD2-CG1 4.34Å; F217-I232 HydrophobicContact CE1-CG1 4.26Å; F217-I232 HydrophobicContact CZ-CG1 4Å; V228-I232 HydrophobicContact CG1-CD1 3.63Å; V228-I232 HydrophobicContact CG1-CG1 4.28Å; V228-I232 VanDerWaalsContact O-CG1 3.26Å; V228-I232 WeakPolarHBondContact O-CG1 3.21Å; V228-I232 PolarHBondContact O-N 3.16Å; F230-I232 VanDerWaalsContact C-N 3.35Å; F230-I232 PolarHBondContact O-N 2.74Å; I232-E234 VanDerWaalsContact C-N 3.31Å; I232-E234 PolarHBondContact O-N 3.31Å; I232-V235 WeakPolarHBondContact O-CB 3.21Å; I232-V235 PolarHBondContact O-N 2.86Å |
| 233 | K | 93.4 | Very high | 90.4 | Very high | 104 Ų | 104 | 51.8 Ų | 51.8 | 45% | 0.452 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | -180 | -76.1 | 174.8 | 177.2 | -176.8 | 0 | 112.5 | K185 L229 F230 A231 V235 | K185-K233 PolarHBondContact NZ-O 3.5Å; L229-K233 WeakPolarHBondContact O-CG 3.43Å; L229-K233 PolarHBondContact O-N 2.79Å; L229-K233 VanDerWaalsContact O-N 3.08Å; F230-K233 WeakPolarHBondContact O-CB 3.4Å; F230-K233 PolarHBondContact O-N 2.88Å; A231-K233 VanDerWaalsContact C-N 3.29Å; A231-K233 PolarHBondContact O-N 2.93Å; K233-V235 VanDerWaalsContact C-N 3.27Å; K233-V235 PolarHBondContact O-N 2.89Å |
| 234 | E | 93.8 | Very high | 90.5 | Very high | 161 Ų | 161 | 48.2 Ų | 48.2 | 75% | 0.752 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -74 | -13.1 | -179.2 | -61.9 | -50.4 | 122.2 | 0 | 0 | 114.2 | F230 A231 I232 G236 | F230-E234 PolarHBondContact O-N 3.39Å; A231-E234 PolarHBondContact O-N 3.33Å; I232-E234 VanDerWaalsContact C-N 3.31Å; I232-E234 PolarHBondContact O-N 3.31Å; E234-G236 PolarHBondContact O-N 3.26Å |
| 235 | V | 93.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -63 | 123.3 | -178.7 | 174 | 0 | 0 | 0 | 0 | 111 | I170 F181 K185 L206 E216 A231 I232 K233 | I170-V235 HydrophobicContact CD1-CG1 4.4Å; F181-V235 HydrophobicContact CZ-CG1 4.08Å; K185-V235 HydrophobicContact CD-CB 4.15Å; K185-V235 PolarHBondContact NZ-O 2.87Å; L206-V235 HydrophobicContact CD2-CB 4.3Å; L206-V235 HydrophobicContact CD2-CG1 4.26Å; L206-V235 HydrophobicContact CD2-CG2 3.49Å; L206-V235 VanDerWaalsContact CD2-CG2 3.49Å; E216-V235 HydrophobicContact CB-CG2 4.18Å; E216-V235 HydrophobicContact CG-CG1 3.88Å; E216-V235 HydrophobicContact CG-CG2 4.12Å; A231-V235 WeakPolarHBondContact O-CG2 3.33Å; A231-V235 PolarHBondContact O-N 2.61Å; I232-V235 WeakPolarHBondContact O-CB 3.21Å; I232-V235 PolarHBondContact O-N 2.86Å; K233-V235 VanDerWaalsContact C-N 3.27Å; K233-V235 PolarHBondContact O-N 2.89Å |
| 236 | G | 91.8 | Very high | 90.7 | Very high | 44 Ų | 44 | 50.9 Ų | 50.9 | 45% | 0.454 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 152.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F181 Q208 E234 | F181-G236 WeakPolarHBondContact CZ-O 3.37Å; Q208-G236 PolarHBondContact NE2-O 2.81Å; Q208-G236 PolarHBondContact OE1-O 3.35Å; E234-G236 PolarHBondContact O-N 3.26Å |
| 237 | F | 90.8 | Very high | 90.9 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 22% | 0.219 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 132.8 | 169.1 | 177.6 | -111.9 | 0 | 0 | 0 | 109.6 | G172 S173 F174 I176 Q178 F181 | G172-F237 VanDerWaalsContact O-CE2 3.29Å; G172-F237 WeakPolarHBondContact O-CE2 3.4Å; S173-F237 WeakPolarHBondContact O-CE2 3.31Å; S173-F237 WeakPolarHBondContact O-CZ 3.16Å; F174-F237 HydrophobicContact CD1-CE1 4.02Å; F174-F237 HydrophobicContact CD1-CZ 4.08Å; F174-F237 HydrophobicContact CE1-CE1 4.18Å; I176-F237 HydrophobicContact CG2-CE2 4.32Å; Q178-F237 VanDerWaalsContact OE1-CG 3.25Å; F181-F237 HydrophobicContact CB-CD2 3.83Å; F181-F237 HydrophobicContact CB-CE2 4.25Å; F181-F237 HydrophobicContact CD1-CB 3.79Å; F181-F237 AromaticContact CD1-CD2 3.83Å; F181-F237 HydrophobicContact CD1-CD2 3.83Å; F181-F237 HydrophobicContact CD1-CG 4.27Å; F181-F237 HydrophobicContact CD2-CD2 4.14Å; F181-F237 HydrophobicContact CE1-CB 3.92Å; F181-F237 HydrophobicContact CE1-CD2 4.39Å; F181-F237 HydrophobicContact CG-CB 4.5Å; F181-F237 AromaticContact CG-CD2 3.67Å; F181-F237 HydrophobicContact CG-CD2 3.67Å; F181-F237 HydrophobicContact CG-CE2 4.44Å |
| 238 | R | 86.3 | Confident | 91.1 | Very high | 101 Ų | 101 | 41.1 Ų | 41.1 | 38% | 0.381 | 21% | 0.208 | S | C | . | . | trans | -104.9 | -28.4 | -173.4 | -71.5 | -176.5 | 74.2 | -148.5 | 1.4 | 114.5 | S210 H212 | S210-R238 PolarHBondContact OG-NH1 2.77Å; H212-R238 PolarHBondContact O-NH1 2.03Å | ||
| 239 | G | 80.7 | Confident | 91 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | trans | 70.4 | -160.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | G172 F174 S210 | G172-G239 WeakPolarHBondContact O-CA 3.34Å; G172-G239 PolarHBondContact O-N 3.15Å; F174-G239 VanDerWaalsContact CD1-CA 3.47Å; S210-G239 WeakPolarHBondContact CB-O 3.42Å | ||
| 240 | G | 80.5 | Confident | 91 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 84.4 | -171.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S173 F174 | S173-G240 WeakPolarHBondContact CA-O 3.36Å; S173-G240 VanDerWaalsContact CB-O 3.32Å; S173-G240 WeakPolarHBondContact CB-O 3.2Å; F174-G240 PolarHBondContact N-O 3.38Å |
| 241 | N | 81.6 | Confident | 91.2 | Very high | 82 Ų | 82 | 39 Ų | 39 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | trans | -73.1 | 159.4 | 177.5 | -67.3 | -39.3 | 0 | 0 | 0 | 112.7 | S210 E211 N243 | S210-N241 CarbonylContact C-O 3.57Å; S210-N241 WeakPolarHBondContact CA-O 3.37Å; E211-N241 PolarHBondContact N-O 2.89Å; E211-N241 VanDerWaalsContact N-O 3.14Å; E211-N241 WeakPolarHBondContact OE2-CB 2.98Å; E211-N241 PolarHBondContact OE2-N 2.82Å; E211-N241 PolarHBondContact OE2-ND2 3.32Å; N241-N243 PolarHBondContact O-N 3.24Å | ||
| 242 | S | 81.9 | Confident | 91.1 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | trans | -90.2 | 68.2 | 176.8 | -166.7 | 0 | 0 | 0 | 0 | 111.1 | D171 T244 S279 | D171-S242 PolarHBondContact OD2-OG 2.96Å; S242-T244 PolarHBondContact O-N 3.46Å; S242-T244 PolarHBondContact OG-OG1 2.97Å; S242-S279 PolarHBondContact O-N 3.39Å | ||
| 243 | N | 88.6 | Confident | 90.9 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | trans | -80.6 | 69.4 | 178.7 | -60.1 | -22.4 | 0 | 0 | 0 | 110.4 | S210 E211 N241 K246 A247 D280 | S210-N243 WeakPolarHBondContact O-CB 3.49Å; E211-N243 PolarHBondContact O-ND2 3.13Å; E211-N243 VanDerWaalsContact O-ND2 3.08Å; E211-N243 PolarHBondContact OE1-ND2 2.92Å; N241-N243 PolarHBondContact O-N 3.24Å; N243-K246 HydrophobicContact CB-CB 3.94Å; N243-K246 HydrophobicContact CB-CD 4.26Å; N243-A247 WeakPolarHBondContact O-CB 3.41Å; N243-A247 PolarHBondContact O-N 3.01Å; N243-A247 VanDerWaalsContact O-N 3.07Å; N243-D280 VanDerWaalsContact C-OD2 3.24Å; N243-D280 WeakPolarHBondContact CA-OD2 3.07Å | ||
| 244 | T | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.6 | -40.1 | -174 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | L169 S242 A247 L248 V272 I274 D280 I282 | L169-T244 HydrophobicContact CD2-CG2 4.49Å; S242-T244 PolarHBondContact O-N 3.46Å; S242-T244 PolarHBondContact OG-OG1 2.97Å; T244-A247 PolarHBondContact O-N 3.24Å; T244-L248 WeakPolarHBondContact O-CB 3.39Å; T244-L248 PolarHBondContact O-N 3.15Å; T244-V272 HydrophobicContact CG2-CG1 3.47Å; T244-V272 VanDerWaalsContact CG2-CG1 3.47Å; T244-I274 HydrophobicContact CG2-CD1 4.09Å; T244-I274 HydrophobicContact CG2-CG1 4.21Å; T244-D280 PolarHBondContact N-OD1 3.04Å; T244-D280 PolarHBondContact N-OD2 3.32Å; T244-I282 HydrophobicContact CG2-CD1 3.65Å |
| 245 | G | 93 | Very high | 91.1 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -49.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A247 L248 K249 D280 A285 | G245-A247 VanDerWaalsContact C-N 3.28Å; G245-A247 PolarHBondContact O-N 2.93Å; G245-L248 PolarHBondContact O-N 3.29Å; G245-K249 WeakPolarHBondContact O-CB 3.37Å; G245-K249 PolarHBondContact O-N 3.14Å; G245-D280 WeakPolarHBondContact CA-OD2 3.4Å; G245-D280 VanDerWaalsContact N-CG 3.28Å; G245-D280 PolarHBondContact N-OD1 3.22Å; G245-D280 PolarHBondContact N-OD2 3.25Å; G245-A285 WeakPolarHBondContact O-CB 3.43Å |
| 246 | K | 93.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 35.9 Ų | 35.9 | 39% | 0.391 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -55.9 | -42.1 | 173.8 | -172.9 | -179.3 | 180 | -177 | 0 | 112 | E211 P213 N243 H250 D280 | E211-K246 PolarHBondContact O-NZ 3.36Å; P213-K246 HydrophobicContact CG-CG 4.45Å; N243-K246 HydrophobicContact CB-CB 3.94Å; N243-K246 HydrophobicContact CB-CD 4.26Å; K246-H250 VanDerWaalsContact O-CB 3.3Å; K246-H250 WeakPolarHBondContact O-CB 3.39Å; K246-H250 PolarHBondContact O-N 3.36Å; K246-D280 PolarHBondContact N-OD2 2.94Å |
| 247 | A | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.7 | -39.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L169 A209 P213 N243 T244 G245 H250 T251 | L169-A247 HydrophobicContact CD1-CB 3.91Å; L169-A247 HydrophobicContact CD2-CB 4.3Å; L169-A247 HydrophobicContact CG-CB 4.32Å; A209-A247 HydrophobicContact CB-CB 3.61Å; P213-A247 HydrophobicContact CB-CB 3.81Å; N243-A247 WeakPolarHBondContact O-CB 3.41Å; N243-A247 PolarHBondContact O-N 3.01Å; N243-A247 VanDerWaalsContact O-N 3.07Å; T244-A247 PolarHBondContact O-N 3.24Å; G245-A247 VanDerWaalsContact C-N 3.28Å; G245-A247 PolarHBondContact O-N 2.93Å; A247-H250 PolarHBondContact O-N 3.21Å; A247-T251 WeakPolarHBondContact O-CB 3.41Å; A247-T251 PolarHBondContact O-N 3.02Å; A247-T251 PolarHBondContact O-OG1 3.19Å |
| 248 | L | 96.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -47.7 | 176.5 | 175.2 | 59.7 | 0 | 0 | 0 | 110.8 | L169 T244 G245 H250 T251 A252 V270 V272 I282 A285 A289 V296 | L169-L248 HydrophobicContact CD1-CB 4.15Å; T244-L248 WeakPolarHBondContact O-CB 3.39Å; T244-L248 PolarHBondContact O-N 3.15Å; G245-L248 PolarHBondContact O-N 3.29Å; L248-H250 PolarHBondContact O-N 3.32Å; L248-T251 PolarHBondContact O-N 2.96Å; L248-T251 VanDerWaalsContact O-N 3.16Å; L248-A252 PolarHBondContact O-N 2.77Å; L248-V270 HydrophobicContact CD1-CB 4.15Å; L248-V270 HydrophobicContact CD1-CG1 3.81Å; L248-V270 HydrophobicContact CD1-CG2 4.35Å; L248-V272 HydrophobicContact CD1-CG2 4.21Å; L248-I282 HydrophobicContact CD2-CG2 3.82Å; L248-A285 HydrophobicContact CB-CB 3.98Å; L248-A285 HydrophobicContact CD2-CB 3.92Å; L248-A285 HydrophobicContact CG-CB 4.01Å; L248-A289 HydrophobicContact CD1-CB 4.38Å; L248-V296 HydrophobicContact CD1-CG1 4.26Å; L248-V296 HydrophobicContact CD1-CG2 3.97Å; L248-V296 HydrophobicContact CD2-CG1 4.05Å; L248-V296 HydrophobicContact CD2-CG2 4.26Å |
| 249 | K | 95.1 | Very high | 91.4 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.2 | -47.1 | 175.6 | -174 | 170.6 | -179.4 | 172.3 | 0 | 111.5 | G245 T251 A252 Q253 E284 A285 V288 | G245-K249 WeakPolarHBondContact O-CB 3.37Å; G245-K249 PolarHBondContact O-N 3.14Å; K249-T251 VanDerWaalsContact C-N 3.32Å; K249-T251 PolarHBondContact O-N 2.54Å; K249-A252 PolarHBondContact O-N 2.73Å; K249-Q253 WeakPolarHBondContact O-CB 3.27Å; K249-Q253 WeakPolarHBondContact O-CG 3.36Å; K249-Q253 PolarHBondContact O-N 3.04Å; K249-Q253 VanDerWaalsContact O-N 3.09Å; K249-E284 IonicContact NZ-OE1 2.84Å; K249-E284 PolarHBondContact NZ-OE1 2.88Å; K249-A285 HydrophobicContact CB-CB 4.1Å; K249-V288 HydrophobicContact CD-CG2 4.39Å; K249-V288 HydrophobicContact CG-CB 4.39Å; K249-V288 HydrophobicContact CG-CG1 4.13Å; K249-V288 HydrophobicContact CG-CG2 4.4Å |
| 250 | H | 95.9 | Very high | 92 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 21% | 0.213 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.8 | -178.8 | 90.1 | 0 | 0 | 0 | 112.4 | P213 K246 A247 L248 K254 | P213-H250 HydrophobicContact CB-CB 4.16Å; P213-H250 HydrophobicContact CG-CB 3.67Å; K246-H250 VanDerWaalsContact O-CB 3.3Å; K246-H250 WeakPolarHBondContact O-CB 3.39Å; K246-H250 PolarHBondContact O-N 3.36Å; A247-H250 PolarHBondContact O-N 3.21Å; L248-H250 PolarHBondContact O-N 3.32Å; H250-K254 WeakPolarHBondContact O-CB 3.34Å; H250-K254 PolarHBondContact O-N 3.25Å |
| 251 | T | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -49.1 | 179.1 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | A167 V207 A247 L248 K249 Q253 F255 F256 V270 | A167-T251 HydrophobicContact CB-CG2 3.72Å; V207-T251 HydrophobicContact CG2-CG2 4.08Å; A247-T251 WeakPolarHBondContact O-CB 3.41Å; A247-T251 PolarHBondContact O-N 3.02Å; A247-T251 PolarHBondContact O-OG1 3.19Å; L248-T251 PolarHBondContact O-N 2.96Å; L248-T251 VanDerWaalsContact O-N 3.16Å; K249-T251 VanDerWaalsContact C-N 3.32Å; K249-T251 PolarHBondContact O-N 2.54Å; T251-Q253 VanDerWaalsContact C-N 3.27Å; T251-Q253 PolarHBondContact O-N 3.29Å; T251-F255 HydrophobicContact CG2-CB 3.76Å; T251-F255 HydrophobicContact CG2-CD1 4.48Å; T251-F255 HydrophobicContact CG2-CG 4.09Å; T251-F255 WeakPolarHBondContact O-CB 3.36Å; T251-F255 PolarHBondContact O-N 2.96Å; T251-F256 HydrophobicContact CG2-CE2 4.25Å; T251-V270 HydrophobicContact CG2-CG1 4.47Å; T251-V270 HydrophobicContact CG2-CG2 3.77Å |
| 252 | A | 94.8 | Very high | 93 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.2 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L248 K249 V288 A289 F292 V294 | L248-A252 PolarHBondContact O-N 2.77Å; K249-A252 PolarHBondContact O-N 2.73Å; A252-V288 HydrophobicContact CB-CG1 4.48Å; A252-A289 HydrophobicContact CB-CB 4.11Å; A252-F292 HydrophobicContact CB-CB 4.45Å; A252-F292 WeakPolarHBondContact O-CD1 3.25Å; A252-V294 HydrophobicContact CB-CG2 4.46Å |
| 253 | Q | 92.5 | Very high | 93.3 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 40% | 0.397 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -81.9 | -35.8 | -175.2 | -67.8 | 177 | -28.6 | 0 | 0 | 114.2 | K249 T251 V288 F292 | K249-Q253 WeakPolarHBondContact O-CB 3.27Å; K249-Q253 WeakPolarHBondContact O-CG 3.36Å; K249-Q253 PolarHBondContact O-N 3.04Å; K249-Q253 VanDerWaalsContact O-N 3.09Å; T251-Q253 VanDerWaalsContact C-N 3.27Å; T251-Q253 PolarHBondContact O-N 3.29Å; Q253-V288 HydrophobicContact CG-CG1 3.96Å; Q253-F292 HydrophobicContact CB-CZ 4.48Å; Q253-F292 HydrophobicContact CG-CE2 3.97Å; Q253-F292 HydrophobicContact CG-CZ 3.96Å |
| 254 | K | 94.6 | Very high | 93 | Very high | 123 Ų | 123 | 46.3 Ų | 46.3 | 54% | 0.535 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -117.5 | -20.2 | -167.6 | -58.8 | -163.6 | -178.1 | -173.1 | 0 | 115.3 | H250 | H250-K254 WeakPolarHBondContact O-CB 3.34Å; H250-K254 PolarHBondContact O-N 3.25Å |
| 255 | F | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -40.5 | -174.3 | -177.2 | -86 | 0 | 0 | 0 | 112.4 | A167 V207 I215 Y218 L219 T251 T257 A260 | A167-F255 HydrophobicContact CB-CD1 3.78Å; A167-F255 HydrophobicContact CB-CE1 3.59Å; A167-F255 HydrophobicContact CB-CE2 4.4Å; A167-F255 HydrophobicContact CB-CG 4.28Å; A167-F255 HydrophobicContact CB-CZ 3.93Å; V207-F255 HydrophobicContact CG2-CD2 3.7Å; V207-F255 HydrophobicContact CG2-CE2 4.04Å; V207-F255 HydrophobicContact CG2-CG 4.46Å; I215-F255 HydrophobicContact CD1-CB 4.35Å; I215-F255 HydrophobicContact CD1-CD2 4.19Å; I215-F255 HydrophobicContact CG1-CD2 4.29Å; I215-F255 HydrophobicContact CG2-CD2 3.85Å; I215-F255 HydrophobicContact CG2-CE2 4Å; Y218-F255 HydrophobicContact CD1-CD2 4.03Å; Y218-F255 HydrophobicContact CD1-CE2 4.21Å; Y218-F255 HydrophobicContact CE1-CD2 4.45Å; L219-F255 HydrophobicContact CD1-CE1 4.04Å; L219-F255 HydrophobicContact CD2-CE1 3.79Å; L219-F255 HydrophobicContact CD2-CZ 4.06Å; L219-F255 HydrophobicContact CG-CE1 3.61Å; L219-F255 HydrophobicContact CG-CZ 3.93Å; T251-F255 HydrophobicContact CG2-CB 3.76Å; T251-F255 HydrophobicContact CG2-CD1 4.48Å; T251-F255 HydrophobicContact CG2-CG 4.09Å; T251-F255 WeakPolarHBondContact O-CB 3.36Å; T251-F255 PolarHBondContact O-N 2.96Å; F255-T257 VanDerWaalsContact C-N 3.3Å; F255-T257 PolarHBondContact O-N 2.95Å; F255-T257 VanDerWaalsContact O-N 3.12Å; F255-A260 WeakPolarHBondContact O-CB 3.32Å |
| 256 | F | 94.8 | Very high | 92.1 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -90.8 | 58.9 | -175.6 | -63 | -73.9 | 0 | 0 | 0 | 112.7 | D165 A167 L219 T251 V262 K268 V269 V270 V294 | D165-F256 HydrophobicContact CB-CE1 4.38Å; D165-F256 WeakPolarHBondContact O-CE1 3.39Å; A167-F256 HydrophobicContact CB-CE2 4.36Å; A167-F256 HydrophobicContact CB-CZ 3.8Å; L219-F256 HydrophobicContact CD1-CD1 4.16Å; L219-F256 HydrophobicContact CD1-CE1 4.43Å; T251-F256 HydrophobicContact CG2-CE2 4.25Å; F256-V262 HydrophobicContact CB-CB 4.5Å; F256-V262 HydrophobicContact CB-CG2 4.14Å; F256-V262 HydrophobicContact CD1-CG2 4.02Å; F256-K268 HydrophobicContact CB-CD 3.53Å; F256-K268 HydrophobicContact CB-CG 4.31Å; F256-K268 HydrophobicContact CD1-CB 3.93Å; F256-K268 HydrophobicContact CD1-CD 3.94Å; F256-K268 HydrophobicContact CD1-CG 3.76Å; F256-K268 HydrophobicContact CD2-CB 4.39Å; F256-K268 HydrophobicContact CD2-CD 4.33Å; F256-K268 HydrophobicContact CE1-CB 3.96Å; F256-K268 HydrophobicContact CE1-CG 4.24Å; F256-K268 HydrophobicContact CE2-CB 4.4Å; F256-K268 HydrophobicContact CG-CB 4.16Å; F256-K268 HydrophobicContact CG-CD 3.68Å; F256-K268 HydrophobicContact CG-CG 4.01Å; F256-K268 HydrophobicContact CZ-CB 4.2Å; F256-V269 WeakPolarHBondContact CZ-O 3.29Å; F256-V270 HydrophobicContact CE2-CG2 3.6Å; F256-V270 HydrophobicContact CZ-CG2 3.94Å; F256-V294 HydrophobicContact CD2-CG2 3.86Å; F256-V294 HydrophobicContact CE2-CG1 3.87Å; F256-V294 HydrophobicContact CE2-CG2 4.04Å; F256-V294 HydrophobicContact CZ-CG1 4.49Å |
| 257 | T | 91.9 | Very high | 92 | Very high | 53 Ų | 53 | 47.1 Ų | 47.1 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | trans | -103.4 | 155.9 | 174.7 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | F255 D259 A260 G261 V262 | F255-T257 VanDerWaalsContact C-N 3.3Å; F255-T257 PolarHBondContact O-N 2.95Å; F255-T257 VanDerWaalsContact O-N 3.12Å; T257-D259 PolarHBondContact O-N 3.08Å; T257-A260 WeakPolarHBondContact O-CB 3.49Å; T257-A260 PolarHBondContact O-N 2.75Å; T257-A260 WeakPolarHBondContact OG1-CB 3.3Å; T257-A260 PolarHBondContact OG1-N 3.27Å; T257-G261 PolarHBondContact O-N 3.29Å; T257-V262 VanDerWaalsContact O-CG1 3.29Å; T257-V262 WeakPolarHBondContact O-CG1 3.17Å; T257-V262 PolarHBondContact O-N 3Å | ||
| 258 | V | 88.9 | Confident | 91.9 | Very high | 123 Ų | 123 | 49.5 Ų | 49.5 | 75% | 0.745 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -56.7 | -43 | 176.6 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | A260 G261 | V258-A260 PolarHBondContact O-N 2.9Å; V258-G261 PolarHBondContact O-N 2.81Å |
| 259 | D | 91.7 | Very high | 91.9 | Very high | 132 Ų | 132 | 49.4 Ų | 49.4 | 71% | 0.706 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -65.1 | -26 | 177 | -65.7 | -35.8 | 0 | 0 | 0 | 113.5 | K220 T257 G261 | K220-D259 VanDerWaalsContact CD-O 3.28Å; K220-D259 WeakPolarHBondContact CD-O 3.29Å; K220-D259 WeakPolarHBondContact CE-O 3.05Å; K220-D259 PolarHBondContact NZ-O 2.8Å; T257-D259 PolarHBondContact O-N 3.08Å; D259-G261 VanDerWaalsContact C-N 3.3Å |
| 260 | A | 93.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -81.5 | -7.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y218 L219 K220 F255 T257 V258 | Y218-A260 WeakPolarHBondContact CB-O 3.44Å; Y218-A260 HydrophobicContact CD1-CB 3.41Å; Y218-A260 VanDerWaalsContact CD1-CB 3.41Å; Y218-A260 HydrophobicContact CE1-CB 3.99Å; Y218-A260 HydrophobicContact CG-CB 4Å; L219-A260 PolarHBondContact N-O 3.3Å; K220-A260 PolarHBondContact N-O 3.44Å; K220-A260 VanDerWaalsContact N-O 3.17Å; F255-A260 WeakPolarHBondContact O-CB 3.32Å; T257-A260 WeakPolarHBondContact O-CB 3.49Å; T257-A260 PolarHBondContact O-N 2.75Å; T257-A260 WeakPolarHBondContact OG1-CB 3.3Å; T257-A260 PolarHBondContact OG1-N 3.27Å; V258-A260 PolarHBondContact O-N 2.9Å |
| 261 | G | 91.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96 | 20.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T257 V258 D259 | T257-G261 PolarHBondContact O-N 3.29Å; V258-G261 PolarHBondContact O-N 2.81Å; D259-G261 VanDerWaalsContact C-N 3.3Å |
| 262 | V | 92.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 17% | 0.17 | 24% | 0.243 | C | C | . | . | trans | -66.8 | 142.5 | 169.7 | 79.9 | 0 | 0 | 0 | 0 | 110.5 | D165 L219 F256 T257 K268 | D165-V262 HydrophobicContact CB-CG2 4.43Å; D165-V262 WeakPolarHBondContact OD2-CA 3.46Å; D165-V262 WeakPolarHBondContact OD2-CG2 3.21Å; L219-V262 HydrophobicContact CD1-CB 4.07Å; L219-V262 HydrophobicContact CD1-CG2 4.33Å; F256-V262 HydrophobicContact CB-CB 4.5Å; F256-V262 HydrophobicContact CB-CG2 4.14Å; F256-V262 HydrophobicContact CD1-CG2 4.02Å; T257-V262 VanDerWaalsContact O-CG1 3.29Å; T257-V262 WeakPolarHBondContact O-CG1 3.17Å; T257-V262 PolarHBondContact O-N 3Å; V262-K268 HydrophobicContact CG2-CD 4.04Å; V262-K268 HydrophobicContact CG2-CG 3.98Å | ||
| 263 | R | 88.4 | Confident | 92.1 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | trans | -105.7 | 134.9 | -177.4 | -64.1 | 177.8 | -69.9 | 177.6 | 0.3 | 110.6 | A164 D165 G201 G265 I266 | A164-R263 PolarHBondContact O-NH2 3.37Å; A164-R263 VanDerWaalsContact O-NH2 3.15Å; D165-R263 IonicContact OD1-CZ 2.76Å; D165-R263 IonicContact OD1-NE 2.77Å; D165-R263 PolarHBondContact OD1-NE 3.29Å; D165-R263 IonicContact OD1-NH2 3.7Å; D165-R263 PolarHBondContact OD1-NH2 2.89Å; D165-R263 PolarHBondContact OD2-N 2.71Å; D165-R263 IonicContact OD2-NE 3.22Å; G201-R263 PolarHBondContact O-NH1 3.09Å; G201-R263 PolarHBondContact O-NH2 3.39Å; R263-G265 PolarHBondContact O-N 2.84Å; R263-I266 HydrophobicContact CB-CB 4Å; R263-I266 HydrophobicContact CB-CG1 3.55Å; R263-I266 PolarHBondContact O-N 3.14Å | ||
| 264 | K | 82.1 | Confident | 91.9 | Very high | 131 Ų | 131 | 40.3 Ų | 40.3 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 136 | 177.2 | -171.2 | 173 | -179.7 | 173.9 | 0 | 110.1 | I266 L546 | K264-I266 PolarHBondContact O-N 3.16Å; K264-L546 PolarHBondContact NZ-O 3.2Å |
| 265 | G | 76.9 | Confident | 91.5 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 71% | 0.711 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 2.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R263 | R263-G265 PolarHBondContact O-N 2.84Š|
| 266 | I | 87.5 | Confident | 90.5 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 19% | 0.19 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -96.5 | 134 | 175.7 | -58.2 | -47.5 | 0 | 0 | 0 | 109.4 | K163 A164 D165 R263 K264 K268 | K163-I266 HydrophobicContact CB-CD1 4.05Å; K163-I266 HydrophobicContact CD-CD1 4.34Å; A164-I266 VanDerWaalsContact CA-CG2 3.47Å; D165-I266 HydrophobicContact CB-CG2 4.39Å; R263-I266 HydrophobicContact CB-CB 4Å; R263-I266 HydrophobicContact CB-CG1 3.55Å; R263-I266 PolarHBondContact O-N 3.14Å; K264-I266 PolarHBondContact O-N 3.16Å; I266-K268 PolarHBondContact O-N 2.92Å |
| 267 | P | 91.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 130.5 | 176.6 | -26.1 | 33.7 | 0 | 0 | 0 | 111.9 | K163 D165 V269 H353 M356 | K163-P267 WeakPolarHBondContact O-CD 3.41Å; D165-P267 PolarHBondContact N-O 2.85Å; P267-V269 HydrophobicContact CB-CG2 4.28Å; P267-H353 WeakPolarHBondContact CD-ND1 3.32Å; P267-H353 VanDerWaalsContact CG-CE1 3.43Å; P267-H353 WeakPolarHBondContact CG-CE1 3.22Å; P267-H353 WeakPolarHBondContact CG-ND1 3.45Å; P267-M356 HydrophobicContact CB-CB 4.12Å; P267-M356 HydrophobicContact CB-CG 4Å; P267-M356 HydrophobicContact CG-CB 4.31Å; P267-M356 HydrophobicContact CG-CG 4.19Å |
| 268 | K | 94.6 | Very high | 89 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 22% | 0.217 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.1 | 169.1 | -63.1 | 179.9 | -69.9 | -168.1 | 0 | 108 | F256 V262 I266 F292 G293 V294 N295 | F256-K268 HydrophobicContact CB-CD 3.53Å; F256-K268 HydrophobicContact CB-CG 4.31Å; F256-K268 HydrophobicContact CD1-CB 3.93Å; F256-K268 HydrophobicContact CD1-CD 3.94Å; F256-K268 HydrophobicContact CD1-CG 3.76Å; F256-K268 HydrophobicContact CD2-CB 4.39Å; F256-K268 HydrophobicContact CD2-CD 4.33Å; F256-K268 HydrophobicContact CE1-CB 3.96Å; F256-K268 HydrophobicContact CE1-CG 4.24Å; F256-K268 HydrophobicContact CE2-CB 4.4Å; F256-K268 HydrophobicContact CG-CB 4.16Å; F256-K268 HydrophobicContact CG-CD 3.68Å; F256-K268 HydrophobicContact CG-CG 4.01Å; F256-K268 HydrophobicContact CZ-CB 4.2Å; V262-K268 HydrophobicContact CG2-CD 4.04Å; V262-K268 HydrophobicContact CG2-CG 3.98Å; I266-K268 PolarHBondContact O-N 2.92Å; K268-F292 WeakPolarHBondContact CE-O 3.44Å; K268-F292 PolarHBondContact NZ-O 3.18Å; K268-G293 WeakPolarHBondContact CE-O 3.41Å; K268-V294 HydrophobicContact CB-CG2 4.08Å; K268-V294 HydrophobicContact CD-CG2 4.41Å; K268-N295 WeakPolarHBondContact O-CB 3.36Å; K268-N295 PolarHBondContact O-N 3.45Å; K268-N295 PolarHBondContact O-ND2 3.47Å |
| 269 | V | 97.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.9 | -175.7 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | A164 D165 I166 A167 F256 P267 V271 N295 F297 L350 M356 | A164-V269 HydrophobicContact CB-CG2 4.24Å; D165-V269 PolarHBondContact O-N 2.8Å; I166-V269 CarbonylContact C-O 3.56Å; I166-V269 VanDerWaalsContact CA-O 3.31Å; I166-V269 WeakPolarHBondContact CA-O 3.39Å; I166-V269 HydrophobicContact CG1-CB 4.25Å; A167-V269 PolarHBondContact N-O 3.26Å; F256-V269 WeakPolarHBondContact CZ-O 3.29Å; P267-V269 HydrophobicContact CB-CG2 4.28Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V269-N295 CarbonylContact C-O 3.41Å; V269-N295 WeakPolarHBondContact CA-O 3.3Å; V269-N295 HydrophobicContact CG2-CB 4.37Å; V269-F297 HydrophobicContact CG1-CD2 3.57Å; V269-F297 HydrophobicContact CG1-CE2 3.87Å; V269-L350 HydrophobicContact CG1-CD2 3.75Å; V269-M356 HydrophobicContact CG2-CE 4.23Å; V269-M356 HydrophobicContact CG2-SD 4.09Å |
| 270 | V | 98.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.8 | 168 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | A167 L169 L248 T251 F256 V272 V294 N295 F297 | A167-V270 HydrophobicContact CB-CG2 4.18Å; A167-V270 CarbonylContact O-C 3.6Å; A167-V270 WeakPolarHBondContact O-CA 3.45Å; L169-V270 HydrophobicContact CB-CG1 3.98Å; L169-V270 HydrophobicContact CD1-CG1 4.27Å; L248-V270 HydrophobicContact CD1-CB 4.15Å; L248-V270 HydrophobicContact CD1-CG1 3.81Å; L248-V270 HydrophobicContact CD1-CG2 4.35Å; T251-V270 HydrophobicContact CG2-CG1 4.47Å; T251-V270 HydrophobicContact CG2-CG2 3.77Å; F256-V270 HydrophobicContact CE2-CG2 3.6Å; F256-V270 HydrophobicContact CZ-CG2 3.94Å; V270-V272 HydrophobicContact CG1-CG2 3.71Å; V270-V294 HydrophobicContact CB-CG1 4.16Å; V270-V294 HydrophobicContact CG2-CG1 3.39Å; V270-N295 PolarHBondContact N-O 2.83Å; V270-F297 PolarHBondContact O-N 2.85Å |
| 271 | V | 98 | Very high | 87.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 103.7 | 173.5 | -173.3 | 0 | 0 | 0 | 0 | 108 | I166 A167 F168 L169 V269 F273 F297 V299 L350 | I166-V271 HydrophobicContact CG2-CG2 3.86Å; A167-V271 PolarHBondContact O-N 2.79Å; F168-V271 HydrophobicContact CD1-CB 3.85Å; F168-V271 HydrophobicContact CD1-CG1 4.3Å; F168-V271 HydrophobicContact CD1-CG2 4.29Å; F168-V271 HydrophobicContact CE1-CB 4.14Å; F168-V271 HydrophobicContact CE1-CG1 4.42Å; F168-V271 HydrophobicContact CE1-CG2 4.16Å; L169-V271 PolarHBondContact N-O 3.33Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V271-F273 HydrophobicContact CB-CE2 4.44Å; V271-F273 HydrophobicContact CG1-CD2 4.39Å; V271-F273 HydrophobicContact CG1-CE2 3.71Å; V271-F273 HydrophobicContact CG1-CZ 4.02Å; V271-F297 WeakPolarHBondContact CA-O 3.09Å; V271-F297 HydrophobicContact CG1-CB 4.46Å; V271-F297 HydrophobicContact CG2-CB 4.34Å; V271-V299 HydrophobicContact CG1-CG2 3.69Å; V271-L350 HydrophobicContact CG2-CD1 4.06Å; V271-L350 HydrophobicContact CG2-CD2 3.48Å; V271-L350 VanDerWaalsContact CG2-CD2 3.48Å; V271-L350 HydrophobicContact CG2-CG 4.43Å |
| 272 | V | 96.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.6 | -177.9 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | L169 T244 L248 V270 I274 V296 F297 I298 V299 | L169-V272 HydrophobicContact CB-CG2 4.4Å; L169-V272 HydrophobicContact CD1-CG2 4.34Å; L169-V272 HydrophobicContact CD2-CG1 3.95Å; T244-V272 HydrophobicContact CG2-CG1 3.47Å; T244-V272 VanDerWaalsContact CG2-CG1 3.47Å; L248-V272 HydrophobicContact CD1-CG2 4.21Å; V270-V272 HydrophobicContact CG1-CG2 3.71Å; V272-I274 HydrophobicContact CG1-CD1 3.99Å; V272-I274 HydrophobicContact CG1-CG1 3.82Å; V272-V296 HydrophobicContact CG2-CG1 3.98Å; V272-F297 PolarHBondContact N-O 3.19Å; V272-I298 HydrophobicContact CB-CD1 3.69Å; V272-I298 HydrophobicContact CG1-CD1 4.21Å; V272-I298 HydrophobicContact CG2-CD1 3.88Å; V272-V299 PolarHBondContact O-N 3.3Å |
| 273 | F | 94 | Very high | 87.3 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.2 | 173.1 | -72.1 | -90.3 | 0 | 0 | 0 | 110.4 | F168 L169 I170 Q184 F187 V188 V271 V299 W336 L346 | F168-F273 AromaticContact CD1-CE2 3.95Å; F168-F273 HydrophobicContact CD1-CE2 3.95Å; L169-F273 PolarHBondContact O-N 2.8Å; I170-F273 HydrophobicContact CG2-CD2 4.27Å; Q184-F273 HydrophobicContact CG-CB 4.28Å; Q184-F273 HydrophobicContact CG-CG 4.37Å; F187-F273 HydrophobicContact CD1-CD1 4.47Å; F187-F273 AromaticContact CD1-CE1 3.4Å; F187-F273 HydrophobicContact CD1-CE1 3.4Å; F187-F273 AromaticContact CD1-CZ 3.7Å; F187-F273 HydrophobicContact CD1-CZ 3.7Å; F187-F273 AromaticContact CE1-CE1 3.43Å; F187-F273 HydrophobicContact CE1-CE1 3.43Å; F187-F273 VanDerWaalsContact CE1-CE1 3.43Å; F187-F273 AromaticContact CE1-CZ 3.69Å; F187-F273 HydrophobicContact CE1-CZ 3.69Å; V188-F273 HydrophobicContact CG2-CD2 4.07Å; V188-F273 HydrophobicContact CG2-CE2 3.55Å; V188-F273 HydrophobicContact CG2-CZ 3.83Å; V271-F273 HydrophobicContact CB-CE2 4.44Å; V271-F273 HydrophobicContact CG1-CD2 4.39Å; V271-F273 HydrophobicContact CG1-CE2 3.71Å; V271-F273 HydrophobicContact CG1-CZ 4.02Å; F273-V299 HydrophobicContact CD1-CB 3.68Å; F273-V299 HydrophobicContact CD1-CG1 3.68Å; F273-V299 HydrophobicContact CD1-CG2 4.33Å; F273-V299 HydrophobicContact CE1-CB 3.75Å; F273-V299 HydrophobicContact CE1-CG1 3.59Å; F273-V299 HydrophobicContact CE1-CG2 3.96Å; F273-V299 HydrophobicContact CG-CB 4.33Å; F273-V299 HydrophobicContact CZ-CB 4.43Å; F273-V299 HydrophobicContact CZ-CG2 4.2Å; F273-W336 HydrophobicContact CD1-CH2 4.02Å; F273-L346 HydrophobicContact CZ-CD2 4.47Å |
| 274 | I | 89.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 119.6 | -179.6 | -58.7 | 177.5 | 0 | 0 | 0 | 107.9 | T244 V272 G276 I282 I298 V299 S300 V301 F317 | T244-I274 HydrophobicContact CG2-CD1 4.09Å; T244-I274 HydrophobicContact CG2-CG1 4.21Å; V272-I274 HydrophobicContact CG1-CD1 3.99Å; V272-I274 HydrophobicContact CG1-CG1 3.82Å; I274-G276 WeakPolarHBondContact CG2-O 3.44Å; I274-I282 HydrophobicContact CD1-CD1 3.79Å; I274-I298 HydrophobicContact CD1-CD1 4.33Å; I274-I298 HydrophobicContact CD1-CG2 3.94Å; I274-V299 PolarHBondContact N-O 3.42Å; I274-S300 CarbonylContact O-C 3.49Å; I274-S300 WeakPolarHBondContact O-CA 3.38Å; I274-V301 PolarHBondContact O-N 3.25Å; I274-F317 HydrophobicContact CD1-CD2 4.27Å; I274-F317 HydrophobicContact CD1-CE2 3.63Å; I274-F317 HydrophobicContact CG2-CE2 4.32Å; I274-F317 HydrophobicContact CG2-CZ 4.37Å |
| 275 | D | 84.3 | Confident | 87.8 | Confident | 20 Ų | 20 | 29.6 Ų | 29.6 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 96.8 | 174 | -175.6 | 4.8 | 0 | 0 | 0 | 108.2 | I176 R180 V301 W336 | I176-D275 HydrophobicContact CD1-CB 4.09Å; I176-D275 HydrophobicContact CG1-CB 4.36Å; R180-D275 WeakPolarHBondContact CD-OD2 3.44Å; R180-D275 IonicContact NH1-OD1 3.14Å; R180-D275 PolarHBondContact NH1-OD1 3.07Å; R180-D275 IonicContact NH1-OD2 2.86Å; R180-D275 PolarHBondContact NH1-OD2 3.47Å; D275-V301 HydrophobicContact CB-CB 4.41Å; D275-W336 HydrophobicContact CB-CZ2 4.29Å; D275-W336 PolarHBondContact OD2-NE1 2.87Å |
| 276 | G | 78.1 | Confident | 88.5 | Confident | 17 Ų | 17 | 26.3 Ų | 26.3 | 18% | 0.175 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 98.5 | -128.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I274 V301 | I274-G276 WeakPolarHBondContact CG2-O 3.44Å; G276-V301 PolarHBondContact N-O 2.97Å |
| 277 | W | 76.1 | Confident | 88.5 | Confident | 61 Ų | 61 | 27.8 Ų | 27.8 | 23% | 0.231 | 15% | 0.145 | C | C | . | . | trans | -133.7 | 149.4 | -179.2 | 49.8 | 94.5 | 0 | 0 | 0 | 110.8 | P304 E308 V312 F317 | W277-P304 HydrophobicContact CE3-CB 3.91Å; W277-P304 HydrophobicContact CZ3-CB 3.8Å; W277-E308 HydrophobicContact CH2-CB 3.5Å; W277-E308 HydrophobicContact CH2-CG 3.77Å; W277-E308 WeakPolarHBondContact CH2-OE2 3.49Å; W277-E308 HydrophobicContact CZ2-CB 4.14Å; W277-E308 HydrophobicContact CZ2-CG 4.49Å; W277-E308 HydrophobicContact CZ3-CB 4.01Å; W277-E308 WeakPolarHBondContact CZ3-OE2 3.37Å; W277-V312 HydrophobicContact CB-CG1 4.12Å; W277-V312 HydrophobicContact CB-CG2 4.37Å; W277-V312 HydrophobicContact CD2-CG2 3.76Å; W277-V312 HydrophobicContact CE3-CG2 4Å; W277-V312 HydrophobicContact CG-CB 4.47Å; W277-V312 HydrophobicContact CG-CG1 4.33Å; W277-V312 HydrophobicContact CG-CG2 3.92Å; W277-F317 HydrophobicContact CB-CE1 4.49Å | ||
| 278 | P | 79.3 | Confident | 88.4 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 8% | 0.078 | 15% | 0.147 | C | C | . | . | trans | -65.4 | 153.9 | 179.7 | 29.7 | -36.7 | 0 | 0 | 0 | 112.1 | I282 F317 | P278-I282 HydrophobicContact CB-CD1 3.6Å; P278-I282 HydrophobicContact CB-CG1 3.92Å; P278-I282 HydrophobicContact CG-CD1 3.58Å; P278-I282 HydrophobicContact CG-CG1 3.89Å; P278-F317 HydrophobicContact CG-CB 4.49Å; P278-F317 HydrophobicContact CG-CD2 3.96Å; P278-F317 HydrophobicContact CG-CE2 4.34Å; P278-F317 HydrophobicContact CG-CG 4.14Å | ||
| 279 | S | 77.4 | Confident | 88.3 | Confident | 49 Ų | 49 | 25.9 Ų | 25.9 | 34% | 0.343 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -90.5 | -7.4 | 176 | -54.8 | 0 | 0 | 0 | 0 | 113 | S242 | S242-S279 PolarHBondContact O-N 3.39Š|
| 280 | D | 84.8 | Confident | 87.7 | Confident | 34 Ų | 34 | 28.6 Ų | 28.6 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -131.2 | 167.8 | 178.9 | 64.4 | -20 | 0 | 0 | 0 | 111.5 | N243 T244 G245 K246 | N243-D280 VanDerWaalsContact C-OD2 3.24Å; N243-D280 WeakPolarHBondContact CA-OD2 3.07Å; T244-D280 PolarHBondContact N-OD1 3.04Å; T244-D280 PolarHBondContact N-OD2 3.32Å; G245-D280 WeakPolarHBondContact CA-OD2 3.4Å; G245-D280 VanDerWaalsContact N-CG 3.28Å; G245-D280 PolarHBondContact N-OD1 3.22Å; G245-D280 PolarHBondContact N-OD2 3.25Å; K246-D280 PolarHBondContact N-OD2 2.94Å |
| 281 | D | 81.5 | Confident | 86.9 | Confident | 86 Ų | 86 | 33.5 Ų | 33.5 | 46% | 0.46 | 17% | 0.17 | S | C | . | . | trans | -71.8 | 129.2 | 175.4 | -177.9 | 19.6 | 0 | 0 | 0 | 111 | E283 | D281-E283 VanDerWaalsContact OD1-CB 3.26Å; D281-E283 WeakPolarHBondContact OD1-CB 3.13Å; D281-E283 PolarHBondContact OD1-N 3.41Å | ||
| 282 | I | 89.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -99.9 | -15.1 | 176.5 | -55.8 | -171.5 | 0 | 0 | 0 | 111.2 | T244 L248 I274 P278 E284 A285 G286 F317 A321 | T244-I282 HydrophobicContact CG2-CD1 3.65Å; L248-I282 HydrophobicContact CD2-CG2 3.82Å; I274-I282 HydrophobicContact CD1-CD1 3.79Å; P278-I282 HydrophobicContact CB-CD1 3.6Å; P278-I282 HydrophobicContact CB-CG1 3.92Å; P278-I282 HydrophobicContact CG-CD1 3.58Å; P278-I282 HydrophobicContact CG-CG1 3.89Å; I282-E284 PolarHBondContact O-N 3.42Å; I282-A285 CarbonylContact O-C 3.56Å; I282-A285 WeakPolarHBondContact O-CB 3.43Å; I282-A285 PolarHBondContact O-N 3.32Å; I282-A285 VanDerWaalsContact O-N 3.14Å; I282-G286 PolarHBondContact O-N 2.81Å; I282-F317 HydrophobicContact CD1-CD2 4.19Å; I282-A321 HydrophobicContact CB-CB 4.35Å; I282-A321 HydrophobicContact CG2-CB 3.39Å | ||
| 283 | E | 88.9 | Confident | 85.9 | Confident | 71 Ų | 71 | 37.5 Ų | 37.5 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.8 | -52.7 | -176.7 | -178.3 | 165.7 | -170.8 | 0 | 0 | 111.8 | D281 A285 G286 I287 K320 | D281-E283 VanDerWaalsContact OD1-CB 3.26Å; D281-E283 WeakPolarHBondContact OD1-CB 3.13Å; D281-E283 PolarHBondContact OD1-N 3.41Å; E283-A285 VanDerWaalsContact C-N 3.28Å; E283-A285 PolarHBondContact O-N 2.99Å; E283-G286 PolarHBondContact O-N 2.83Å; E283-G286 VanDerWaalsContact O-N 3.12Å; E283-I287 WeakPolarHBondContact O-CG1 3.49Å; E283-I287 PolarHBondContact O-N 2.79Å; E283-K320 HydrophobicContact CB-CB 4.16Å; E283-K320 HydrophobicContact CB-CD 4.32Å; E283-K320 HydrophobicContact CG-CB 4.11Å; E283-K320 HydrophobicContact CG-CD 4.31Å; E283-K320 WeakPolarHBondContact OE2-CD 3.32Å; E283-K320 WeakPolarHBondContact OE2-CE 3.49Å; E283-K320 IonicContact OE2-NZ 3.9Å; E283-K320 PolarHBondContact OE2-NZ 2.6Å |
| 284 | E | 88.9 | Confident | 85.9 | Confident | 105 Ų | 105 | 37.5 Ų | 37.5 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.6 | -41 | 176.5 | -164.5 | -159.9 | 149.4 | 0 | 0 | 111.6 | K249 I282 G286 I287 V288 | K249-E284 IonicContact NZ-OE1 2.84Å; K249-E284 PolarHBondContact NZ-OE1 2.88Å; I282-E284 PolarHBondContact O-N 3.42Å; E284-G286 VanDerWaalsContact C-N 3.32Å; E284-G286 PolarHBondContact O-N 2.89Å; E284-I287 WeakPolarHBondContact O-CB 2.99Å; E284-I287 PolarHBondContact O-N 2.8Å; E284-V288 WeakPolarHBondContact O-CG2 3.44Å; E284-V288 PolarHBondContact O-N 2.79Å |
| 285 | A | 91.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G245 L248 K249 I282 E283 A289 | G245-A285 WeakPolarHBondContact O-CB 3.43Å; L248-A285 HydrophobicContact CB-CB 3.98Å; L248-A285 HydrophobicContact CD2-CB 3.92Å; L248-A285 HydrophobicContact CG-CB 4.01Å; K249-A285 HydrophobicContact CB-CB 4.1Å; I282-A285 CarbonylContact O-C 3.56Å; I282-A285 WeakPolarHBondContact O-CB 3.43Å; I282-A285 PolarHBondContact O-N 3.32Å; I282-A285 VanDerWaalsContact O-N 3.14Å; E283-A285 VanDerWaalsContact C-N 3.28Å; E283-A285 PolarHBondContact O-N 2.99Å; A285-A289 WeakPolarHBondContact O-CB 3.37Å; A285-A289 PolarHBondContact O-N 2.81Å |
| 286 | G | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | I282 E283 E284 V288 A289 R290 | I282-G286 PolarHBondContact O-N 2.81Å; E283-G286 PolarHBondContact O-N 2.83Å; E283-G286 VanDerWaalsContact O-N 3.12Å; E284-G286 VanDerWaalsContact C-N 3.32Å; E284-G286 PolarHBondContact O-N 2.89Å; G286-V288 PolarHBondContact O-N 2.78Å; G286-A289 PolarHBondContact O-N 2.91Å; G286-R290 VanDerWaalsContact O-CG 3.29Å; G286-R290 WeakPolarHBondContact O-CG 3.3Å; G286-R290 PolarHBondContact O-N 2.99Å |
| 287 | I | 86.4 | Confident | 87.5 | Confident | 68 Ų | 68 | 35.6 Ų | 35.6 | 35% | 0.349 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.6 | -52.4 | 174.8 | -64.5 | 166.7 | 0 | 0 | 0 | 110.3 | E283 E284 A289 R290 E291 | E283-I287 WeakPolarHBondContact O-CG1 3.49Å; E283-I287 PolarHBondContact O-N 2.79Å; E284-I287 WeakPolarHBondContact O-CB 2.99Å; E284-I287 PolarHBondContact O-N 2.8Å; I287-A289 VanDerWaalsContact C-N 3.33Å; I287-A289 PolarHBondContact O-N 3.12Å; I287-R290 WeakPolarHBondContact O-CB 3.3Å; I287-R290 PolarHBondContact O-N 2.95Å; I287-R290 VanDerWaalsContact O-N 3.1Å; I287-E291 WeakPolarHBondContact O-CG 3.33Å; I287-E291 PolarHBondContact O-N 3.24Å |
| 288 | V | 89 | Confident | 88.4 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 179.4 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | K249 A252 Q253 E284 G286 R290 E291 F292 | K249-V288 HydrophobicContact CD-CG2 4.39Å; K249-V288 HydrophobicContact CG-CB 4.39Å; K249-V288 HydrophobicContact CG-CG1 4.13Å; K249-V288 HydrophobicContact CG-CG2 4.4Å; A252-V288 HydrophobicContact CB-CG1 4.48Å; Q253-V288 HydrophobicContact CG-CG1 3.96Å; E284-V288 WeakPolarHBondContact O-CG2 3.44Å; E284-V288 PolarHBondContact O-N 2.79Å; G286-V288 PolarHBondContact O-N 2.78Å; V288-R290 VanDerWaalsContact C-N 3.3Å; V288-R290 PolarHBondContact O-N 3.25Å; V288-E291 PolarHBondContact O-N 3.48Å; V288-F292 HydrophobicContact CG1-CD2 3.93Å; V288-F292 HydrophobicContact CG1-CE2 4.05Å; V288-F292 VanDerWaalsContact O-CD2 3.26Å; V288-F292 WeakPolarHBondContact O-CD2 3.29Å; V288-F292 PolarHBondContact O-N 2.94Å |
| 289 | A | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L248 A252 A285 G286 I287 F292 G293 V294 V296 | L248-A289 HydrophobicContact CD1-CB 4.38Å; A252-A289 HydrophobicContact CB-CB 4.11Å; A285-A289 WeakPolarHBondContact O-CB 3.37Å; A285-A289 PolarHBondContact O-N 2.81Å; G286-A289 PolarHBondContact O-N 2.91Å; I287-A289 VanDerWaalsContact C-N 3.33Å; I287-A289 PolarHBondContact O-N 3.12Å; A289-F292 CarbonylContact O-C 3.51Å; A289-F292 PolarHBondContact O-N 3.18Å; A289-G293 PolarHBondContact O-N 3.43Å; A289-G293 VanDerWaalsContact O-N 3.17Å; A289-V294 HydrophobicContact CB-CB 4.19Å; A289-V294 VanDerWaalsContact O-CB 3.29Å; A289-V294 WeakPolarHBondContact O-CB 3.05Å; A289-V294 PolarHBondContact O-N 3.18Å; A289-V296 HydrophobicContact CB-CG2 3.5Å |
| 290 | R | 86.1 | Confident | 89.7 | Confident | 57 Ų | 57 | 30.7 Ų | 30.7 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.2 | -67.5 | -171.3 | -69.3 | -93.6 | 3.1 | 112.3 | G286 I287 V288 F292 G293 K320 V322 | G286-R290 VanDerWaalsContact O-CG 3.29Å; G286-R290 WeakPolarHBondContact O-CG 3.3Å; G286-R290 PolarHBondContact O-N 2.99Å; I287-R290 WeakPolarHBondContact O-CB 3.3Å; I287-R290 PolarHBondContact O-N 2.95Å; I287-R290 VanDerWaalsContact O-N 3.1Å; V288-R290 VanDerWaalsContact C-N 3.3Å; V288-R290 PolarHBondContact O-N 3.25Å; R290-F292 PolarHBondContact O-N 3.04Å; R290-G293 WeakPolarHBondContact O-CA 3.35Å; R290-G293 PolarHBondContact O-N 3.42Å; R290-K320 PolarHBondContact NH1-O 3.22Å; R290-V322 PolarHBondContact NH1-O 3.3Å; R290-V322 VanDerWaalsContact NH1-O 3.14Å |
| 291 | E | 81.7 | Confident | 90 | Very high | 103 Ų | 103 | 29.1 Ų | 29.1 | 48% | 0.481 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -59.8 | -33.7 | 175.7 | -72.7 | 177.2 | 171.3 | 0 | 0 | 112.6 | I287 V288 G293 K360 | I287-E291 WeakPolarHBondContact O-CG 3.33Å; I287-E291 PolarHBondContact O-N 3.24Å; V288-E291 PolarHBondContact O-N 3.48Å; E291-G293 PolarHBondContact O-N 3.24Å; E291-K360 WeakPolarHBondContact O-CE 3.23Å; E291-K360 PolarHBondContact O-NZ 3.46Å |
| 292 | F | 85.8 | Confident | 89.8 | Confident | 84 Ų | 84 | 26.8 Ų | 26.8 | 37% | 0.368 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.6 | 173.8 | -82.1 | -101.1 | 0 | 0 | 0 | 112.8 | A252 Q253 K268 V288 A289 R290 V294 | A252-F292 HydrophobicContact CB-CB 4.45Å; A252-F292 WeakPolarHBondContact O-CD1 3.25Å; Q253-F292 HydrophobicContact CB-CZ 4.48Å; Q253-F292 HydrophobicContact CG-CE2 3.97Å; Q253-F292 HydrophobicContact CG-CZ 3.96Å; K268-F292 WeakPolarHBondContact CE-O 3.44Å; K268-F292 PolarHBondContact NZ-O 3.18Å; V288-F292 HydrophobicContact CG1-CD2 3.93Å; V288-F292 HydrophobicContact CG1-CE2 4.05Å; V288-F292 VanDerWaalsContact O-CD2 3.26Å; V288-F292 WeakPolarHBondContact O-CD2 3.29Å; V288-F292 PolarHBondContact O-N 2.94Å; A289-F292 CarbonylContact O-C 3.51Å; A289-F292 PolarHBondContact O-N 3.18Å; R290-F292 PolarHBondContact O-N 3.04Å; F292-V294 HydrophobicContact CB-CG2 4.04Å |
| 293 | G | 87.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 33.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K268 A289 R290 E291 C358 | K268-G293 WeakPolarHBondContact CE-O 3.41Å; A289-G293 PolarHBondContact O-N 3.43Å; A289-G293 VanDerWaalsContact O-N 3.17Å; R290-G293 WeakPolarHBondContact O-CA 3.35Å; R290-G293 PolarHBondContact O-N 3.42Å; E291-G293 PolarHBondContact O-N 3.24Å; G293-C358 CarbonylContact C-O 3.55Å; G293-C358 VanDerWaalsContact C-O 3.29Å; G293-C358 WeakPolarHBondContact CA-O 3.23Å |
| 294 | V | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129 | -175.6 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | A252 F256 K268 V270 A289 F292 C358 | A252-V294 HydrophobicContact CB-CG2 4.46Å; F256-V294 HydrophobicContact CD2-CG2 3.86Å; F256-V294 HydrophobicContact CE2-CG1 3.87Å; F256-V294 HydrophobicContact CE2-CG2 4.04Å; F256-V294 HydrophobicContact CZ-CG1 4.49Å; K268-V294 HydrophobicContact CB-CG2 4.08Å; K268-V294 HydrophobicContact CD-CG2 4.41Å; V270-V294 HydrophobicContact CB-CG1 4.16Å; V270-V294 HydrophobicContact CG2-CG1 3.39Å; A289-V294 HydrophobicContact CB-CB 4.19Å; A289-V294 VanDerWaalsContact O-CB 3.29Å; A289-V294 WeakPolarHBondContact O-CB 3.05Å; A289-V294 PolarHBondContact O-N 3.18Å; F292-V294 HydrophobicContact CB-CG2 4.04Å; V294-C358 WeakPolarHBondContact O-CB 3.35Å |
| 295 | N | 93.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 112.5 | 176.9 | -60.4 | -90.9 | 0 | 0 | 0 | 110.1 | K268 V269 V270 F297 C323 F329 M356 M357 C358 S359 | K268-N295 WeakPolarHBondContact O-CB 3.36Å; K268-N295 PolarHBondContact O-N 3.45Å; K268-N295 PolarHBondContact O-ND2 3.47Å; V269-N295 CarbonylContact C-O 3.41Å; V269-N295 WeakPolarHBondContact CA-O 3.3Å; V269-N295 HydrophobicContact CG2-CB 4.37Å; V270-N295 PolarHBondContact N-O 2.83Å; N295-F297 HydrophobicContact CB-CE2 4.43Å; N295-C323 VanDerWaalsContact CA-SG 3.58Å; N295-F329 HydrophobicContact CB-CE1 4.14Å; N295-M356 HydrophobicContact CB-SD 3.96Å; N295-M356 VanDerWaalsContact OD1-CA 3.29Å; N295-M356 WeakPolarHBondContact OD1-CA 3.4Å; N295-M356 PolarHBondContact OD1-O 2.64Å; N295-M357 PolarHBondContact OD1-N 3.41Å; N295-C358 PolarHBondContact OD1-N 3.26Å; N295-S359 PolarHBondContact ND2-OG 3.14Å |
| 296 | V | 95.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.6 | -179.6 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | L248 V272 A289 I298 | L248-V296 HydrophobicContact CD1-CG1 4.26Å; L248-V296 HydrophobicContact CD1-CG2 3.97Å; L248-V296 HydrophobicContact CD2-CG1 4.05Å; L248-V296 HydrophobicContact CD2-CG2 4.26Å; V272-V296 HydrophobicContact CG2-CG1 3.98Å; A289-V296 HydrophobicContact CB-CG2 3.5Å; V296-I298 HydrophobicContact CG1-CD1 3.73Å; V296-I298 HydrophobicContact CG1-CG1 4.37Å |
| 297 | F | 95.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.4 | 167.5 | -78.9 | -101.5 | 0 | 0 | 0 | 109.4 | V269 V270 V271 V272 N295 F328 F329 K349 L350 M356 | V269-F297 HydrophobicContact CG1-CD2 3.57Å; V269-F297 HydrophobicContact CG1-CE2 3.87Å; V270-F297 PolarHBondContact O-N 2.85Å; V271-F297 WeakPolarHBondContact CA-O 3.09Å; V271-F297 HydrophobicContact CG1-CB 4.46Å; V271-F297 HydrophobicContact CG2-CB 4.34Å; V272-F297 PolarHBondContact N-O 3.19Å; N295-F297 HydrophobicContact CB-CE2 4.43Å; F297-F328 HydrophobicContact CE1-CD1 4.31Å; F297-F328 HydrophobicContact CE1-CE1 4.06Å; F297-F328 HydrophobicContact CE1-CZ 4.31Å; F297-F328 WeakPolarHBondContact CE1-O 3.28Å; F297-F328 HydrophobicContact CZ-CD1 4.08Å; F297-F328 AromaticContact CZ-CE1 3.52Å; F297-F328 HydrophobicContact CZ-CE1 3.52Å; F297-F328 AromaticContact CZ-CZ 3.95Å; F297-F328 HydrophobicContact CZ-CZ 3.95Å; F297-F329 CarbonylContact C-O 3.56Å; F297-F329 VanDerWaalsContact CA-O 3.24Å; F297-F329 WeakPolarHBondContact CA-O 3.49Å; F297-F329 HydrophobicContact CD2-CD1 4.06Å; F297-F329 HydrophobicContact CE1-CD1 4.24Å; F297-F329 AromaticContact CE2-CD1 3.71Å; F297-F329 HydrophobicContact CE2-CD1 3.71Å; F297-F329 AromaticContact CE2-CE1 3.98Å; F297-F329 HydrophobicContact CE2-CE1 3.98Å; F297-F329 HydrophobicContact CG-CD1 4.48Å; F297-F329 AromaticContact CZ-CD1 3.82Å; F297-F329 HydrophobicContact CZ-CD1 3.82Å; F297-F329 HydrophobicContact CZ-CE1 4.12Å; F297-K349 HydrophobicContact CE1-CB 3.99Å; F297-K349 HydrophobicContact CE1-CD 4.5Å; F297-L350 HydrophobicContact CD1-CD2 4.37Å; F297-L350 HydrophobicContact CD2-CD2 3.98Å; F297-L350 HydrophobicContact CE2-CD2 4.15Å; F297-L350 HydrophobicContact CG-CD2 4.08Å; F297-L350 HydrophobicContact CZ-CD2 4.41Å; F297-M356 HydrophobicContact CE2-CE 3.85Å; F297-M356 HydrophobicContact CE2-SD 3.76Å; F297-M356 HydrophobicContact CZ-CE 3.89Å; F297-M356 HydrophobicContact CZ-SD 4.12Å |
| 298 | I | 94.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.5 | 173.7 | -56 | -58.6 | 0 | 0 | 0 | 109.1 | V272 I274 V296 V318 A321 V322 F329 Y331 | V272-I298 HydrophobicContact CB-CD1 3.69Å; V272-I298 HydrophobicContact CG1-CD1 4.21Å; V272-I298 HydrophobicContact CG2-CD1 3.88Å; I274-I298 HydrophobicContact CD1-CD1 4.33Å; I274-I298 HydrophobicContact CD1-CG2 3.94Å; V296-I298 HydrophobicContact CG1-CD1 3.73Å; V296-I298 HydrophobicContact CG1-CG1 4.37Å; I298-V318 HydrophobicContact CB-CG1 4.02Å; I298-V318 HydrophobicContact CG1-CG1 4.29Å; I298-V318 HydrophobicContact CG2-CG1 4.23Å; I298-V318 HydrophobicContact CG2-CG2 4.04Å; I298-A321 HydrophobicContact CD1-CB 4.08Å; I298-A321 HydrophobicContact CG1-CB 4.19Å; I298-V322 HydrophobicContact CB-CG1 4.44Å; I298-V322 HydrophobicContact CG1-CG1 3.81Å; I298-F329 PolarHBondContact N-O 3.09Å; I298-Y331 PolarHBondContact O-N 3.01Å |
| 299 | V | 94.4 | Very high | 84 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 97.7 | 169.1 | -176 | 0 | 0 | 0 | 0 | 108.5 | V271 V272 F273 I274 Y331 M333 L346 | V271-V299 HydrophobicContact CG1-CG2 3.69Å; V272-V299 PolarHBondContact O-N 3.3Å; F273-V299 HydrophobicContact CD1-CB 3.68Å; F273-V299 HydrophobicContact CD1-CG1 3.68Å; F273-V299 HydrophobicContact CD1-CG2 4.33Å; F273-V299 HydrophobicContact CE1-CB 3.75Å; F273-V299 HydrophobicContact CE1-CG1 3.59Å; F273-V299 HydrophobicContact CE1-CG2 3.96Å; F273-V299 HydrophobicContact CG-CB 4.33Å; F273-V299 HydrophobicContact CZ-CB 4.43Å; F273-V299 HydrophobicContact CZ-CG2 4.2Å; I274-V299 PolarHBondContact N-O 3.42Å; V299-Y331 CarbonylContact C-O 3.58Å; V299-Y331 VanDerWaalsContact CA-O 3.23Å; V299-Y331 WeakPolarHBondContact CA-O 3.39Å; V299-Y331 HydrophobicContact CG1-CD1 4.18Å; V299-Y331 HydrophobicContact CG2-CD1 4.39Å; V299-M333 HydrophobicContact CG1-SD 4.01Å; V299-L346 HydrophobicContact CG2-CD1 4.21Å; V299-L346 HydrophobicContact CG2-CD2 4.1Å |
| 300 | S | 90.5 | Very high | 83 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.6 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 110.8 | I274 Y331 M333 | I274-S300 CarbonylContact O-C 3.49Å; I274-S300 WeakPolarHBondContact O-CA 3.38Å; S300-Y331 PolarHBondContact N-O 2.74Å; S300-M333 PolarHBondContact O-N 3.1Å |
| 301 | V | 89.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.6 | 175.3 | -172.6 | 0 | 0 | 0 | 0 | 109 | I274 D275 G276 M333 W336 | I274-V301 PolarHBondContact O-N 3.25Å; D275-V301 HydrophobicContact CB-CB 4.41Å; G276-V301 PolarHBondContact N-O 2.97Å; V301-M333 WeakPolarHBondContact CA-O 3.46Å; V301-M333 HydrophobicContact CG2-CB 4.3Å; V301-W336 HydrophobicContact CB-CZ2 4.06Å; V301-W336 HydrophobicContact CG1-CD2 4.06Å; V301-W336 HydrophobicContact CG1-CG 4.15Å; V301-W336 HydrophobicContact CG1-CZ2 4.29Å; V301-W336 HydrophobicContact CG2-CD2 4.39Å; V301-W336 HydrophobicContact CG2-CH2 3.64Å; V301-W336 HydrophobicContact CG2-CZ2 3.51Å; V301-W336 HydrophobicContact CG2-CZ3 4.15Å |
| 302 | A | 77.6 | Confident | 81.8 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 61.1 | 156.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M333 | A302-M333 PolarHBondContact N-O 2.77Š|
| 303 | K | 68.1 | Low | 81.3 | Confident | 154 Ų | 154 | 52.9 Ų | 52.9 | 67% | 0.67 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -103.5 | 150.1 | 170.6 | -67.4 | -167.3 | 175.8 | -174.1 | 0 | 109 | I305 H332 | K303-I305 PolarHBondContact O-N 3.5Å; K303-H332 WeakPolarHBondContact CG-NE2 2.92Å |
| 304 | P | 65.8 | Low | 80.9 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 130.8 | 168.4 | 23.5 | -31.5 | 0 | 0 | 0 | 109.1 | W277 E308 L309 V312 | W277-P304 HydrophobicContact CE3-CB 3.91Å; W277-P304 HydrophobicContact CZ3-CB 3.8Å; P304-E308 HydrophobicContact CB-CB 4.31Å; P304-L309 HydrophobicContact CB-CD1 4.24Å; P304-L309 HydrophobicContact CG-CD1 4.07Å; P304-V312 HydrophobicContact CB-CG2 3.89Å; P304-V312 HydrophobicContact CG-CG2 4.11Å |
| 305 | I | 73.5 | Confident | 80.3 | Confident | 85 Ų | 85 | 59 Ų | 59 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 159.4 | 169.8 | 63.8 | -179.8 | 0 | 0 | 0 | 109.2 | K303 E307 E308 L309 | K303-I305 PolarHBondContact O-N 3.5Å; I305-E307 HydrophobicContact CD1-CB 4.39Å; I305-E307 WeakPolarHBondContact CD1-OE2 3.33Å; I305-E307 HydrophobicContact CG1-CB 4.34Å; I305-E307 WeakPolarHBondContact CG1-OE2 3.26Å; I305-E307 PolarHBondContact O-N 2.77Å; I305-E307 VanDerWaalsContact O-N 3.08Å; I305-E308 HydrophobicContact CD1-CG 4.04Å; I305-E308 HydrophobicContact CG1-CB 3.94Å; I305-E308 HydrophobicContact CG1-CG 3.54Å; I305-E308 WeakPolarHBondContact CG1-OE2 3.33Å; I305-E308 WeakPolarHBondContact O-CA 3.14Å; I305-E308 PolarHBondContact O-N 3.47Å; I305-L309 PolarHBondContact O-N 3.25Å |
| 306 | P | 78.2 | Confident | 79.9 | Confident | 104 Ų | 104 | 61.8 Ų | 61.8 | 68% | 0.675 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.6 | -34.4 | -177.2 | -28.4 | 36.7 | 0 | 0 | 0 | 114.2 | E308 L309 | P306-E308 VanDerWaalsContact C-N 3.28Å; P306-E308 PolarHBondContact O-N 3.02Å; P306-L309 PolarHBondContact O-N 3.29Å |
| 307 | E | 75.7 | Confident | 79.5 | Confident | 141 Ų | 141 | 62.7 Ų | 62.7 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70 | -25.8 | 178 | -58.7 | 73.5 | -159.8 | 0 | 0 | 112.6 | I305 | I305-E307 HydrophobicContact CD1-CB 4.39Å; I305-E307 WeakPolarHBondContact CD1-OE2 3.33Å; I305-E307 HydrophobicContact CG1-CB 4.34Å; I305-E307 WeakPolarHBondContact CG1-OE2 3.26Å; I305-E307 PolarHBondContact O-N 2.77Å; I305-E307 VanDerWaalsContact O-N 3.08Å |
| 308 | E | 69.1 | Low | 79.1 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -92.6 | -16.5 | 179.2 | -67.1 | 178 | 150.4 | 0 | 0 | 112.8 | W277 P304 I305 P306 G310 M311 V312 | W277-E308 HydrophobicContact CH2-CB 3.5Å; W277-E308 HydrophobicContact CH2-CG 3.77Å; W277-E308 WeakPolarHBondContact CH2-OE2 3.49Å; W277-E308 HydrophobicContact CZ2-CB 4.14Å; W277-E308 HydrophobicContact CZ2-CG 4.49Å; W277-E308 HydrophobicContact CZ3-CB 4.01Å; W277-E308 WeakPolarHBondContact CZ3-OE2 3.37Å; P304-E308 HydrophobicContact CB-CB 4.31Å; I305-E308 HydrophobicContact CD1-CG 4.04Å; I305-E308 HydrophobicContact CG1-CB 3.94Å; I305-E308 HydrophobicContact CG1-CG 3.54Å; I305-E308 WeakPolarHBondContact CG1-OE2 3.33Å; I305-E308 WeakPolarHBondContact O-CA 3.14Å; I305-E308 PolarHBondContact O-N 3.47Å; P306-E308 VanDerWaalsContact C-N 3.28Å; P306-E308 PolarHBondContact O-N 3.02Å; E308-G310 PolarHBondContact O-N 3.27Å; E308-M311 HydrophobicContact CB-CE 4.1Å; E308-M311 HydrophobicContact CG-CE 3.82Å; E308-M311 WeakPolarHBondContact O-CA 3.43Å; E308-M311 WeakPolarHBondContact O-CB 3.36Å; E308-M311 PolarHBondContact O-N 3.38Å; E308-V312 PolarHBondContact O-N 3.37Å |
| 309 | L | 75.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.3 | -36.3 | -178 | -124.6 | 102.7 | 0 | 0 | 0 | 112.6 | P304 I305 P306 M311 V312 | P304-L309 HydrophobicContact CB-CD1 4.24Å; P304-L309 HydrophobicContact CG-CD1 4.07Å; I305-L309 PolarHBondContact O-N 3.25Å; P306-L309 PolarHBondContact O-N 3.29Å; L309-M311 PolarHBondContact O-N 2.88Å; L309-V312 PolarHBondContact O-N 3.23Å |
| 310 | G | 71.9 | Confident | 78.5 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 84% | 0.835 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E308 | E308-G310 PolarHBondContact O-N 3.27Š|
| 311 | M | 69.4 | Low | 78.4 | Confident | 118 Ų | 118 | 68.9 Ų | 68.9 | 58% | 0.581 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -8.3 | 176.3 | -60.8 | -173.4 | -85.7 | 0 | 0 | 112.7 | E308 L309 Q313 | E308-M311 HydrophobicContact CB-CE 4.1Å; E308-M311 HydrophobicContact CG-CE 3.82Å; E308-M311 WeakPolarHBondContact O-CA 3.43Å; E308-M311 WeakPolarHBondContact O-CB 3.36Å; E308-M311 PolarHBondContact O-N 3.38Å; L309-M311 PolarHBondContact O-N 2.88Å; M311-Q313 PolarHBondContact O-N 2.93Å |
| 312 | V | 72.9 | Confident | 78.5 | Confident | 17 Ų | 17 | 69 Ų | 69 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | trans | -79.9 | 116.2 | 176 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | W277 P304 E308 L309 D314 V315 | W277-V312 HydrophobicContact CB-CG1 4.12Å; W277-V312 HydrophobicContact CB-CG2 4.37Å; W277-V312 HydrophobicContact CD2-CG2 3.76Å; W277-V312 HydrophobicContact CE3-CG2 4Å; W277-V312 HydrophobicContact CG-CB 4.47Å; W277-V312 HydrophobicContact CG-CG1 4.33Å; W277-V312 HydrophobicContact CG-CG2 3.92Å; P304-V312 HydrophobicContact CB-CG2 3.89Å; P304-V312 HydrophobicContact CG-CG2 4.11Å; E308-V312 PolarHBondContact O-N 3.37Å; L309-V312 PolarHBondContact O-N 3.23Å; V312-D314 VanDerWaalsContact C-N 3.34Å; V312-D314 WeakPolarHBondContact CG1-O 3.46Å; V312-D314 PolarHBondContact O-N 2.86Å; V312-V315 HydrophobicContact CB-CG1 4.03Å; V312-V315 HydrophobicContact CG1-CG1 3.83Å | ||
| 313 | Q | 73.5 | Confident | 78.8 | Confident | 156 Ų | 156 | 67.7 Ų | 67.7 | 73% | 0.729 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -62.8 | -42.3 | -179.7 | -69.7 | -175.9 | -6.6 | 0 | 0 | 112.2 | M311 | M311-Q313 PolarHBondContact O-N 2.93Š|
| 314 | D | 79.9 | Confident | 79.6 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | trans | -141.5 | 113.6 | 177.6 | -175.6 | -11.9 | 0 | 0 | 0 | 109 | V312 T316 F317 K320 | V312-D314 VanDerWaalsContact C-N 3.34Å; V312-D314 WeakPolarHBondContact CG1-O 3.46Å; V312-D314 PolarHBondContact O-N 2.86Å; D314-T316 VanDerWaalsContact C-N 3.26Å; D314-T316 PolarHBondContact O-N 3Å; D314-T316 WeakPolarHBondContact OD1-CA 3.37Å; D314-T316 WeakPolarHBondContact OD1-CB 3.43Å; D314-T316 PolarHBondContact OD1-N 2.89Å; D314-T316 PolarHBondContact OD1-OG1 3.22Å; D314-F317 HydrophobicContact CB-CB 4.48Å; D314-F317 WeakPolarHBondContact O-CD1 3.48Å; D314-F317 PolarHBondContact OD1-N 3.02Å; D314-K320 WeakPolarHBondContact OD2-CD 3.04Å; D314-K320 VanDerWaalsContact OD2-CE 3.26Å; D314-K320 WeakPolarHBondContact OD2-CE 3.4Å; D314-K320 IonicContact OD2-NZ 3.48Å; D314-K320 PolarHBondContact OD2-NZ 3.24Å | ||
| 315 | V | 80.4 | Confident | 80.5 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 56% | 0.558 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.4 | 178.8 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | V312 | V312-V315 HydrophobicContact CB-CG1 4.03Å; V312-V315 HydrophobicContact CG1-CG1 3.83Å |
| 316 | T | 85.8 | Confident | 81 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 36% | 0.356 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 10.2 | -179.6 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | D314 V318 D319 K320 | D314-T316 VanDerWaalsContact C-N 3.26Å; D314-T316 PolarHBondContact O-N 3Å; D314-T316 WeakPolarHBondContact OD1-CA 3.37Å; D314-T316 WeakPolarHBondContact OD1-CB 3.43Å; D314-T316 PolarHBondContact OD1-N 2.89Å; D314-T316 PolarHBondContact OD1-OG1 3.22Å; T316-V318 PolarHBondContact O-N 3.48Å; T316-D319 WeakPolarHBondContact O-CB 3.29Å; T316-D319 PolarHBondContact O-N 3.38Å; T316-K320 PolarHBondContact O-N 3Å; T316-K320 WeakPolarHBondContact OG1-CE 3.29Å |
| 317 | F | 86.6 | Confident | 81.5 | Confident | 20 Ų | 20 | 66 Ų | 66 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -50.9 | -35.2 | -178.2 | 73.3 | -87.2 | 0 | 0 | 0 | 113.5 | I274 W277 P278 I282 D314 A321 | I274-F317 HydrophobicContact CD1-CD2 4.27Å; I274-F317 HydrophobicContact CD1-CE2 3.63Å; I274-F317 HydrophobicContact CG2-CE2 4.32Å; I274-F317 HydrophobicContact CG2-CZ 4.37Å; W277-F317 HydrophobicContact CB-CE1 4.49Å; P278-F317 HydrophobicContact CG-CB 4.49Å; P278-F317 HydrophobicContact CG-CD2 3.96Å; P278-F317 HydrophobicContact CG-CE2 4.34Å; P278-F317 HydrophobicContact CG-CG 4.14Å; I282-F317 HydrophobicContact CD1-CD2 4.19Å; D314-F317 HydrophobicContact CB-CB 4.48Å; D314-F317 WeakPolarHBondContact O-CD1 3.48Å; D314-F317 PolarHBondContact OD1-N 3.02Å; F317-A321 VanDerWaalsContact O-CB 3.23Å; F317-A321 WeakPolarHBondContact O-CB 3.44Å; F317-A321 PolarHBondContact O-N 2.85Å |
| 318 | V | 88.6 | Confident | 82.2 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 177 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | I298 T316 K320 A321 V322 | I298-V318 HydrophobicContact CB-CG1 4.02Å; I298-V318 HydrophobicContact CG1-CG1 4.29Å; I298-V318 HydrophobicContact CG2-CG1 4.23Å; I298-V318 HydrophobicContact CG2-CG2 4.04Å; T316-V318 PolarHBondContact O-N 3.48Å; V318-K320 VanDerWaalsContact C-N 3.26Å; V318-K320 PolarHBondContact O-N 2.98Å; V318-A321 PolarHBondContact O-N 3.17Å; V318-V322 HydrophobicContact CG1-CG1 4.48Å; V318-V322 WeakPolarHBondContact O-CG1 3.32Å; V318-V322 WeakPolarHBondContact O-CG2 3.32Å; V318-V322 PolarHBondContact O-N 2.83Å |
| 319 | D | 88.8 | Confident | 83.3 | Confident | 62 Ų | 62 | 57 Ų | 57 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.2 | -30.8 | -173.4 | -64 | -10.2 | 0 | 0 | 0 | 111.7 | T316 V322 N325 | T316-D319 WeakPolarHBondContact O-CB 3.29Å; T316-D319 PolarHBondContact O-N 3.38Å; D319-V322 WeakPolarHBondContact O-CG2 2.96Å; D319-N325 HydrophobicContact CB-CB 4.18Å; D319-N325 WeakPolarHBondContact CB-ND2 3.41Å; D319-N325 VanDerWaalsContact CG-CG 3.42Å; D319-N325 PolarHBondContact OD1-OD1 2.84Å; D319-N325 PolarHBondContact OD2-ND2 2.94Å |
| 320 | K | 87.2 | Confident | 84.1 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -79.4 | -32.7 | 177.4 | -68 | 170.3 | 162.7 | -158.5 | 0 | 113.4 | E283 R290 D314 T316 V318 | E283-K320 HydrophobicContact CB-CB 4.16Å; E283-K320 HydrophobicContact CB-CD 4.32Å; E283-K320 HydrophobicContact CG-CB 4.11Å; E283-K320 HydrophobicContact CG-CD 4.31Å; E283-K320 WeakPolarHBondContact OE2-CD 3.32Å; E283-K320 WeakPolarHBondContact OE2-CE 3.49Å; E283-K320 IonicContact OE2-NZ 3.9Å; E283-K320 PolarHBondContact OE2-NZ 2.6Å; R290-K320 PolarHBondContact NH1-O 3.22Å; D314-K320 WeakPolarHBondContact OD2-CD 3.04Å; D314-K320 VanDerWaalsContact OD2-CE 3.26Å; D314-K320 WeakPolarHBondContact OD2-CE 3.4Å; D314-K320 IonicContact OD2-NZ 3.48Å; D314-K320 PolarHBondContact OD2-NZ 3.24Å; T316-K320 PolarHBondContact O-N 3Å; T316-K320 WeakPolarHBondContact OG1-CE 3.29Å; V318-K320 VanDerWaalsContact C-N 3.26Å; V318-K320 PolarHBondContact O-N 2.98Å |
| 321 | A | 89.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.5 | -36.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I282 I298 F317 V318 | I282-A321 HydrophobicContact CB-CB 4.35Å; I282-A321 HydrophobicContact CG2-CB 3.39Å; I298-A321 HydrophobicContact CD1-CB 4.08Å; I298-A321 HydrophobicContact CG1-CB 4.19Å; F317-A321 VanDerWaalsContact O-CB 3.23Å; F317-A321 WeakPolarHBondContact O-CB 3.44Å; F317-A321 PolarHBondContact O-N 2.85Å; V318-A321 PolarHBondContact O-N 3.17Å |
| 322 | V | 90.9 | Very high | 86.1 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -74.7 | 165.8 | -174.8 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | R290 I298 V318 D319 R324 F329 | R290-V322 PolarHBondContact NH1-O 3.3Å; R290-V322 VanDerWaalsContact NH1-O 3.14Å; I298-V322 HydrophobicContact CB-CG1 4.44Å; I298-V322 HydrophobicContact CG1-CG1 3.81Å; V318-V322 HydrophobicContact CG1-CG1 4.48Å; V318-V322 WeakPolarHBondContact O-CG1 3.32Å; V318-V322 WeakPolarHBondContact O-CG2 3.32Å; V318-V322 PolarHBondContact O-N 2.83Å; D319-V322 WeakPolarHBondContact O-CG2 2.96Å; V322-R324 WeakPolarHBondContact CG2-O 3.29Å; V322-F329 HydrophobicContact CB-CB 3.57Å; V322-F329 HydrophobicContact CB-CG 4.33Å; V322-F329 HydrophobicContact CG1-CB 3.58Å; V322-F329 HydrophobicContact CG2-CB 4.32Å |
| 323 | C | 84.6 | Confident | 87 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -60.8 | -45.9 | 175.8 | -73.4 | 0 | 0 | 0 | 0 | 113.5 | N295 F329 C358 I402 | N295-C323 VanDerWaalsContact CA-SG 3.58Å; C323-F329 HydrophobicContact CB-CD1 4.16Å; C323-F329 HydrophobicContact CB-CD2 3.91Å; C323-F329 HydrophobicContact CB-CE1 3.86Å; C323-F329 HydrophobicContact CB-CE2 3.59Å; C323-F329 HydrophobicContact CB-CG 4.18Å; C323-F329 HydrophobicContact CB-CZ 3.55Å; C323-C358 WeakPolarHBondContact CA-SG 3.23Å; C323-C358 HydrophobicContact CB-CB 4.19Å; C323-C358 WeakPolarHBondContact CB-SG 3.16Å; C323-C358 WeakPolarHBondContact SG-CB 3.29Å; C323-C358 CovalentContact SG-SG 2Å; C323-C358 PolarHBondContact SG-SG 2.94Å; C323-I402 WeakPolarHBondContact O-CD1 3.24Å |
| 324 | R | 83.6 | Confident | 87.7 | Confident | 129 Ų | 129 | 44.3 Ų | 44.3 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | trans | -150.2 | 137.1 | -179.4 | -166.2 | 171.5 | -176 | 175.3 | 2.2 | 108.8 | V322 N326 F329 | V322-R324 WeakPolarHBondContact CG2-O 3.29Å; R324-N326 HydrophobicContact CG-CB 4.38Å; R324-N326 PolarHBondContact O-N 3.16Å; R324-N326 PolarHBondContact O-OD1 3.07Å; R324-F329 HydrophobicContact CB-CD2 4.48Å; R324-F329 HydrophobicContact CB-CE2 4.25Å | ||
| 325 | N | 85.1 | Confident | 88.1 | Confident | 99 Ų | 99 | 45.7 Ų | 45.7 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 73.4 | 173.8 | -170.6 | 5.9 | 0 | 0 | 0 | 110.9 | D319 | D319-N325 HydrophobicContact CB-CB 4.18Å; D319-N325 WeakPolarHBondContact CB-ND2 3.41Å; D319-N325 VanDerWaalsContact CG-CG 3.42Å; D319-N325 PolarHBondContact OD1-OD1 2.84Å; D319-N325 PolarHBondContact OD2-ND2 2.94Å |
| 326 | N | 85.3 | Confident | 88.5 | Confident | 83 Ų | 83 | 42 Ų | 42 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 11.2 | 177.8 | 68.7 | -5.9 | 0 | 0 | 0 | 112.8 | R324 F328 | R324-N326 HydrophobicContact CG-CB 4.38Å; R324-N326 PolarHBondContact O-N 3.16Å; R324-N326 PolarHBondContact O-OD1 3.07Å; N326-F328 PolarHBondContact O-N 2.86Å; N326-F328 WeakPolarHBondContact OD1-CB 3.49Å; N326-F328 PolarHBondContact OD1-N 3.16Å |
| 327 | G | 86.8 | Confident | 88.5 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -4.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K349 | G327-K349 PolarHBondContact O-NZ 3.1Š|
| 328 | F | 90.6 | Very high | 88.6 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -47.3 | 177.8 | 179.5 | -113.7 | 0 | 0 | 0 | 111.7 | F297 N326 K349 Q355 | F297-F328 HydrophobicContact CE1-CD1 4.31Å; F297-F328 HydrophobicContact CE1-CE1 4.06Å; F297-F328 HydrophobicContact CE1-CZ 4.31Å; F297-F328 WeakPolarHBondContact CE1-O 3.28Å; F297-F328 HydrophobicContact CZ-CD1 4.08Å; F297-F328 AromaticContact CZ-CE1 3.52Å; F297-F328 HydrophobicContact CZ-CE1 3.52Å; F297-F328 AromaticContact CZ-CZ 3.95Å; F297-F328 HydrophobicContact CZ-CZ 3.95Å; N326-F328 PolarHBondContact O-N 2.86Å; N326-F328 WeakPolarHBondContact OD1-CB 3.49Å; N326-F328 PolarHBondContact OD1-N 3.16Å; F328-K349 HydrophobicContact CD2-CD 4.47Å; F328-K349 HydrophobicContact CD2-CG 4.19Å; F328-K349 HydrophobicContact CE2-CB 3.86Å; F328-K349 HydrophobicContact CE2-CG 3.81Å; F328-K349 HydrophobicContact CZ-CB 4.21Å; F328-K349 VanDerWaalsContact CZ-O 3.29Å; F328-K349 WeakPolarHBondContact CZ-O 3.26Å; F328-K349 WeakPolarHBondContact O-CD 3.48Å; F328-K349 WeakPolarHBondContact O-CE 3.34Å; F328-K349 PolarHBondContact O-NZ 2.87Å; F328-Q355 HydrophobicContact CD1-CB 3.92Å; F328-Q355 HydrophobicContact CE1-CB 3.43Å; F328-Q355 VanDerWaalsContact CE1-CB 3.43Å; F328-Q355 HydrophobicContact CE2-CB 4.14Å; F328-Q355 HydrophobicContact CG-CB 4.44Å; F328-Q355 HydrophobicContact CZ-CB 3.55Å; F328-Q355 HydrophobicContact CZ-CG 4.44Å |
| 329 | F | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -81.3 | -13.7 | -176.1 | -63.3 | -79.1 | 0 | 0 | 0 | 114.2 | N295 F297 I298 V322 C323 R324 Q355 M357 | N295-F329 HydrophobicContact CB-CE1 4.14Å; F297-F329 CarbonylContact C-O 3.56Å; F297-F329 VanDerWaalsContact CA-O 3.24Å; F297-F329 WeakPolarHBondContact CA-O 3.49Å; F297-F329 HydrophobicContact CD2-CD1 4.06Å; F297-F329 HydrophobicContact CE1-CD1 4.24Å; F297-F329 AromaticContact CE2-CD1 3.71Å; F297-F329 HydrophobicContact CE2-CD1 3.71Å; F297-F329 AromaticContact CE2-CE1 3.98Å; F297-F329 HydrophobicContact CE2-CE1 3.98Å; F297-F329 HydrophobicContact CG-CD1 4.48Å; F297-F329 AromaticContact CZ-CD1 3.82Å; F297-F329 HydrophobicContact CZ-CD1 3.82Å; F297-F329 HydrophobicContact CZ-CE1 4.12Å; I298-F329 PolarHBondContact N-O 3.09Å; V322-F329 HydrophobicContact CB-CB 3.57Å; V322-F329 HydrophobicContact CB-CG 4.33Å; V322-F329 HydrophobicContact CG1-CB 3.58Å; V322-F329 HydrophobicContact CG2-CB 4.32Å; C323-F329 HydrophobicContact CB-CD1 4.16Å; C323-F329 HydrophobicContact CB-CD2 3.91Å; C323-F329 HydrophobicContact CB-CE1 3.86Å; C323-F329 HydrophobicContact CB-CE2 3.59Å; C323-F329 HydrophobicContact CB-CG 4.18Å; C323-F329 HydrophobicContact CB-CZ 3.55Å; R324-F329 HydrophobicContact CB-CD2 4.48Å; R324-F329 HydrophobicContact CB-CE2 4.25Å; F329-Q355 VanDerWaalsContact CZ-O 3.25Å; F329-Q355 WeakPolarHBondContact CZ-O 3.43Å; F329-M357 HydrophobicContact CE2-CG 4.5Å; F329-M357 HydrophobicContact CZ-CB 4.33Å; F329-M357 HydrophobicContact CZ-CG 4.39Å |
| 330 | S | 92.2 | Very high | 89 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 140.3 | 173.8 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | K349 | S330-K349 PolarHBondContact O-NZ 3.24Å |
| 331 | Y | 92.4 | Very high | 89.3 | Confident | 26 Ų | 26 | 52.3 Ų | 52.3 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 115.2 | -179.9 | -165.8 | -109 | 0 | 0 | 0 | 110.8 | I298 V299 S300 M333 Y342 P345 L346 K349 | I298-Y331 PolarHBondContact O-N 3.01Å; V299-Y331 CarbonylContact C-O 3.58Å; V299-Y331 VanDerWaalsContact CA-O 3.23Å; V299-Y331 WeakPolarHBondContact CA-O 3.39Å; V299-Y331 HydrophobicContact CG1-CD1 4.18Å; V299-Y331 HydrophobicContact CG2-CD1 4.39Å; S300-Y331 PolarHBondContact N-O 2.74Å; Y331-M333 HydrophobicContact CD1-CG 4.45Å; Y331-M333 HydrophobicContact CE1-CG 4.18Å; Y331-M333 HydrophobicContact CE1-SD 4.44Å; Y331-Y342 HydrophobicContact CE1-CD1 4.06Å; Y331-Y342 HydrophobicContact CE1-CG 4.46Å; Y331-Y342 AromaticContact CZ-CD1 3.91Å; Y331-Y342 VanDerWaalsContact OH-CA 3.23Å; Y331-Y342 WeakPolarHBondContact OH-CA 3.5Å; Y331-Y342 WeakPolarHBondContact OH-CB 3.43Å; Y331-Y342 WeakPolarHBondContact OH-CD1 3.49Å; Y331-Y342 PolarHBondContact OH-O 2.98Å; Y331-P345 HydrophobicContact CE2-CB 4.21Å; Y331-L346 HydrophobicContact CD1-CB 4.4Å; Y331-L346 HydrophobicContact CD1-CD1 4.3Å; Y331-L346 HydrophobicContact CE1-CB 4.08Å; Y331-L346 HydrophobicContact CG-CD1 4.39Å; Y331-K349 HydrophobicContact CD2-CD 4.24Å |
| 332 | H | 90.6 | Very high | 89.6 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.4 | -173.3 | 173.9 | -89.7 | 0 | 0 | 0 | 111.9 | K303 | K303-H332 WeakPolarHBondContact CG-NE2 2.92Å |
| 333 | M | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.2 | 172.1 | -71.1 | 176 | 39.2 | 0 | 0 | 110.2 | F187 V299 S300 V301 A302 Y331 N335 W336 T339 Y342 | F187-M333 HydrophobicContact CD2-CE 4.36Å; F187-M333 HydrophobicContact CE1-SD 4.16Å; F187-M333 HydrophobicContact CE2-CE 4.2Å; F187-M333 HydrophobicContact CE2-SD 3.94Å; F187-M333 HydrophobicContact CZ-CE 4.48Å; F187-M333 HydrophobicContact CZ-SD 3.7Å; V299-M333 HydrophobicContact CG1-SD 4.01Å; S300-M333 PolarHBondContact O-N 3.1Å; V301-M333 WeakPolarHBondContact CA-O 3.46Å; V301-M333 HydrophobicContact CG2-CB 4.3Å; A302-M333 PolarHBondContact N-O 2.77Å; Y331-M333 HydrophobicContact CD1-CG 4.45Å; Y331-M333 HydrophobicContact CE1-CG 4.18Å; Y331-M333 HydrophobicContact CE1-SD 4.44Å; M333-N335 VanDerWaalsContact C-N 3.35Å; M333-N335 PolarHBondContact O-N 3.01Å; M333-W336 HydrophobicContact CE-CE3 4.36Å; M333-W336 HydrophobicContact CE-CZ3 4.4Å; M333-T339 HydrophobicContact CE-CG2 3.32Å; M333-Y342 HydrophobicContact CG-CD1 3.7Å; M333-Y342 HydrophobicContact CG-CD2 4.24Å; M333-Y342 HydrophobicContact CG-CE1 4.19Å; M333-Y342 HydrophobicContact CG-CG 3.75Å; M333-Y342 HydrophobicContact SD-CG 4.2Å |
| 334 | P | 88 | Confident | 90.4 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -70.1 | -32.3 | -175.9 | 27.6 | -34.3 | 0 | 0 | 0 | 112.9 | Y342 | P334-Y342 VanDerWaalsContact CD-CZ 3.42Å; P334-Y342 WeakPolarHBondContact CD-OH 3.33Å; P334-Y342 WeakPolarHBondContact CG-OH 3.45Å |
| 335 | N | 88.8 | Confident | 91 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | trans | -168.7 | 175.2 | 178.6 | 55.2 | 71.2 | 0 | 0 | 0 | 110.5 | M333 F337 | M333-N335 VanDerWaalsContact C-N 3.35Å; M333-N335 PolarHBondContact O-N 3.01Å; N335-F337 HydrophobicContact CB-CD2 4.47Å; N335-F337 PolarHBondContact O-N 3Å; N335-F337 WeakPolarHBondContact OD1-CA 3.25Å; N335-F337 VanDerWaalsContact OD1-CB 3.27Å; N335-F337 WeakPolarHBondContact OD1-CB 3.49Å; N335-F337 PolarHBondContact OD1-N 3.38Å; N335-F337 PolarHBondContact OD1-O 3.26Å; N335-F337 VanDerWaalsContact OD1-O 3.14Å | ||
| 336 | W | 88.5 | Confident | 91.5 | Very high | 14 Ų | 14 | 51 Ų | 51 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.8 | 5 | 177.6 | -67 | 111.9 | 0 | 0 | 0 | 115.3 | I176 L183 Q184 F187 F273 D275 V301 M333 T339 | I176-W336 HydrophobicContact CD1-CZ2 4.31Å; L183-W336 HydrophobicContact CB-CB 3.96Å; L183-W336 HydrophobicContact CB-CD2 4.36Å; L183-W336 HydrophobicContact CB-CE3 4.45Å; L183-W336 HydrophobicContact CB-CG 4.19Å; L183-W336 HydrophobicContact CD1-CB 3.6Å; L183-W336 HydrophobicContact CD1-CG 4.31Å; L183-W336 HydrophobicContact CG-CB 4.38Å; Q184-W336 HydrophobicContact CB-CH2 3.6Å; Q184-W336 HydrophobicContact CB-CZ2 3.91Å; Q184-W336 HydrophobicContact CB-CZ3 3.97Å; Q184-W336 HydrophobicContact CG-CH2 3.56Å; Q184-W336 HydrophobicContact CG-CZ2 4.1Å; Q184-W336 HydrophobicContact CG-CZ3 4.21Å; F187-W336 HydrophobicContact CB-CZ3 4.16Å; F187-W336 HydrophobicContact CG-CZ3 4.48Å; F273-W336 HydrophobicContact CD1-CH2 4.02Å; D275-W336 HydrophobicContact CB-CZ2 4.29Å; D275-W336 PolarHBondContact OD2-NE1 2.87Å; V301-W336 HydrophobicContact CB-CZ2 4.06Å; V301-W336 HydrophobicContact CG1-CD2 4.06Å; V301-W336 HydrophobicContact CG1-CG 4.15Å; V301-W336 HydrophobicContact CG1-CZ2 4.29Å; V301-W336 HydrophobicContact CG2-CD2 4.39Å; V301-W336 HydrophobicContact CG2-CH2 3.64Å; V301-W336 HydrophobicContact CG2-CZ2 3.51Å; V301-W336 HydrophobicContact CG2-CZ3 4.15Å; M333-W336 HydrophobicContact CE-CE3 4.36Å; M333-W336 HydrophobicContact CE-CZ3 4.4Å; W336-T339 HydrophobicContact CE3-CG2 4.4Å; W336-T339 VanDerWaalsContact O-CG2 3.25Å; W336-T339 WeakPolarHBondContact O-CG2 3.48Å |
| 337 | F | 87.1 | Confident | 92 | Very high | 137 Ų | 137 | 47.5 Ų | 47.5 | 60% | 0.601 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -99.7 | 142.3 | 176.3 | -58 | -85.6 | 0 | 0 | 0 | 111.1 | N335 T339 | N335-F337 HydrophobicContact CB-CD2 4.47Å; N335-F337 PolarHBondContact O-N 3Å; N335-F337 WeakPolarHBondContact OD1-CA 3.25Å; N335-F337 VanDerWaalsContact OD1-CB 3.27Å; N335-F337 WeakPolarHBondContact OD1-CB 3.49Å; N335-F337 PolarHBondContact OD1-N 3.38Å; N335-F337 PolarHBondContact OD1-O 3.26Å; N335-F337 VanDerWaalsContact OD1-O 3.14Å; F337-T339 PolarHBondContact O-N 2Å |
| 338 | G | 88.5 | Confident | 92.4 | Very high | 56 Ų | 56 | 50.9 Ų | 50.9 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 65.2 | 25.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T340 | G338-T340 PolarHBondContact O-N 3.14Å; G338-T340 VanDerWaalsContact O-N 3.14Å |
| 339 | T | 92.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.3 | -171.5 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | F187 M333 W336 F337 K341 Y342 | F187-T339 VanDerWaalsContact CD2-CB 3.48Å; F187-T339 HydrophobicContact CD2-CG2 4.41Å; F187-T339 WeakPolarHBondContact CE2-O 3.43Å; M333-T339 HydrophobicContact CE-CG2 3.32Å; W336-T339 HydrophobicContact CE3-CG2 4.4Å; W336-T339 VanDerWaalsContact O-CG2 3.25Å; W336-T339 WeakPolarHBondContact O-CG2 3.48Å; F337-T339 PolarHBondContact O-N 2Å; T339-K341 PolarHBondContact O-N 2.95Å; T339-K341 VanDerWaalsContact O-N 3.15Å; T339-Y342 WeakPolarHBondContact O-CB 3.38Å; T339-Y342 PolarHBondContact O-N 2.84Å |
| 340 | T | 92.6 | Very high | 92.7 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 55% | 0.546 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.9 | -35.9 | -178.6 | -52 | 0 | 0 | 0 | 0 | 112.9 | K190 G338 Y342 V343 | K190-T340 PolarHBondContact NZ-OG1 3.12Å; G338-T340 PolarHBondContact O-N 3.14Å; G338-T340 VanDerWaalsContact O-N 3.14Å; T340-Y342 PolarHBondContact O-N 3.09Å; T340-V343 PolarHBondContact O-N 2.85Å |
| 341 | K | 94.5 | Very high | 92.7 | Very high | 149 Ų | 149 | 51.9 Ų | 51.9 | 65% | 0.648 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.4 | -18 | 178.5 | 71 | -175.2 | 178.3 | 176.2 | 0 | 113.9 | T339 P345 | T339-K341 PolarHBondContact O-N 2.95Å; T339-K341 VanDerWaalsContact O-N 3.15Å; K341-P345 WeakPolarHBondContact O-CD 3.47Å |
| 342 | Y | 95.4 | Very high | 92.6 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -92.7 | -11.5 | -179.5 | -63.7 | -86.7 | 0 | 0 | 0 | 113.2 | Y331 M333 P334 T339 T340 L346 | Y331-Y342 HydrophobicContact CE1-CD1 4.06Å; Y331-Y342 HydrophobicContact CE1-CG 4.46Å; Y331-Y342 AromaticContact CZ-CD1 3.91Å; Y331-Y342 VanDerWaalsContact OH-CA 3.23Å; Y331-Y342 WeakPolarHBondContact OH-CA 3.5Å; Y331-Y342 WeakPolarHBondContact OH-CB 3.43Å; Y331-Y342 WeakPolarHBondContact OH-CD1 3.49Å; Y331-Y342 PolarHBondContact OH-O 2.98Å; M333-Y342 HydrophobicContact CG-CD1 3.7Å; M333-Y342 HydrophobicContact CG-CD2 4.24Å; M333-Y342 HydrophobicContact CG-CE1 4.19Å; M333-Y342 HydrophobicContact CG-CG 3.75Å; M333-Y342 HydrophobicContact SD-CG 4.2Å; P334-Y342 VanDerWaalsContact CD-CZ 3.42Å; P334-Y342 WeakPolarHBondContact CD-OH 3.33Å; P334-Y342 WeakPolarHBondContact CG-OH 3.45Å; T339-Y342 WeakPolarHBondContact O-CB 3.38Å; T339-Y342 PolarHBondContact O-N 2.84Å; T340-Y342 PolarHBondContact O-N 3.09Å; Y342-L346 WeakPolarHBondContact O-CB 3.38Å; Y342-L346 PolarHBondContact O-N 2.95Å |
| 343 | V | 96.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -51 | -178.8 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | F187 K190 V191 M194 T340 L346 V347 | F187-V343 HydrophobicContact CD2-CG2 3.99Å; F187-V343 HydrophobicContact CE2-CG2 3.58Å; F187-V343 HydrophobicContact CZ-CG2 4.29Å; K190-V343 HydrophobicContact CB-CG1 4.37Å; K190-V343 HydrophobicContact CB-CG2 3.89Å; K190-V343 HydrophobicContact CD-CG2 4.42Å; V191-V343 HydrophobicContact CG2-CG1 4.07Å; V191-V343 HydrophobicContact CG2-CG2 4.42Å; M194-V343 HydrophobicContact CB-CG1 4.04Å; M194-V343 HydrophobicContact SD-CG1 3.85Å; T340-V343 PolarHBondContact O-N 2.85Å; V343-L346 PolarHBondContact O-N 3.32Å; V343-V347 HydrophobicContact CG1-CG2 4.4Å; V343-V347 WeakPolarHBondContact O-CG2 3.47Å; V343-V347 PolarHBondContact O-N 3.14Å |
| 344 | K | 95.7 | Very high | 91.7 | Very high | 119 Ų | 119 | 62.6 Ų | 62.6 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | -176.6 | 177.2 | 175.6 | -177.6 | -176.1 | 0 | 112.9 | M194 L346 V347 Q348 | M194-K344 HydrophobicContact CE-CB 3.57Å; M194-K344 HydrophobicContact CE-CD 4.04Å; M194-K344 HydrophobicContact CE-CG 3.54Å; M194-K344 HydrophobicContact SD-CB 3.91Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 3.25Å; K344-V347 PolarHBondContact O-N 2.79Å; K344-Q348 WeakPolarHBondContact O-CG 3.41Å; K344-Q348 PolarHBondContact O-N 3.49Å |
| 345 | P | 95.6 | Very high | 91.5 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 31% | 0.312 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 179.1 | -21.7 | 33.6 | 0 | 0 | 0 | 113.1 | Y331 K341 Q348 K349 | Y331-P345 HydrophobicContact CE2-CB 4.21Å; K341-P345 WeakPolarHBondContact O-CD 3.47Å; P345-Q348 PolarHBondContact O-N 3.04Å; P345-K349 PolarHBondContact O-N 2.97Å |
| 346 | L | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.5 | 179.9 | 59.7 | 0 | 0 | 0 | 111.2 | F187 V191 F273 V299 Y331 Y342 V343 K344 Q348 K349 L350 | F187-L346 HydrophobicContact CE1-CD2 3.84Å; F187-L346 HydrophobicContact CZ-CD2 4.08Å; V191-L346 HydrophobicContact CG2-CD2 4.1Å; F273-L346 HydrophobicContact CZ-CD2 4.47Å; V299-L346 HydrophobicContact CG2-CD1 4.21Å; V299-L346 HydrophobicContact CG2-CD2 4.1Å; Y331-L346 HydrophobicContact CD1-CB 4.4Å; Y331-L346 HydrophobicContact CD1-CD1 4.3Å; Y331-L346 HydrophobicContact CE1-CB 4.08Å; Y331-L346 HydrophobicContact CG-CD1 4.39Å; Y342-L346 WeakPolarHBondContact O-CB 3.38Å; Y342-L346 PolarHBondContact O-N 2.95Å; V343-L346 PolarHBondContact O-N 3.32Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 3.25Å; L346-Q348 VanDerWaalsContact C-N 3.29Å; L346-Q348 PolarHBondContact O-N 2.92Å; L346-K349 PolarHBondContact O-N 3.46Å; L346-L350 HydrophobicContact CD1-CD1 4.31Å; L346-L350 HydrophobicContact CD1-CG 4.24Å; L346-L350 HydrophobicContact CG-CD1 4.05Å; L346-L350 HydrophobicContact CG-CG 4.41Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.26Å; L346-L350 PolarHBondContact O-N 2.97Å |
| 347 | V | 96.1 | Very high | 91 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 176 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | V191 M194 L195 V343 K344 K349 L350 C351 | V191-V347 HydrophobicContact CG1-CG2 3.86Å; M194-V347 HydrophobicContact CB-CG2 4.07Å; M194-V347 HydrophobicContact CG-CB 4.43Å; M194-V347 HydrophobicContact CG-CG1 4.3Å; M194-V347 HydrophobicContact CG-CG2 4.1Å; L195-V347 HydrophobicContact CD2-CG1 4.11Å; L195-V347 HydrophobicContact CD2-CG2 4.37Å; L195-V347 HydrophobicContact CG-CG2 4.21Å; V343-V347 HydrophobicContact CG1-CG2 4.4Å; V343-V347 WeakPolarHBondContact O-CG2 3.47Å; V343-V347 PolarHBondContact O-N 3.14Å; K344-V347 PolarHBondContact O-N 2.79Å; V347-K349 PolarHBondContact O-N 2.96Å; V347-L350 PolarHBondContact O-N 2.95Å; V347-C351 WeakPolarHBondContact O-CB 3.22Å; V347-C351 PolarHBondContact O-N 2.78Å; V347-C351 PolarHBondContact O-SG 3.14Å |
| 348 | Q | 94.4 | Very high | 90.9 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.9 | -47.9 | 175.8 | -74.4 | 174.1 | -40.4 | 0 | 0 | 111.5 | K344 P345 L346 L350 C351 T352 | K344-Q348 WeakPolarHBondContact O-CG 3.41Å; K344-Q348 PolarHBondContact O-N 3.49Å; P345-Q348 PolarHBondContact O-N 3.04Å; L346-Q348 VanDerWaalsContact C-N 3.29Å; L346-Q348 PolarHBondContact O-N 2.92Å; Q348-L350 PolarHBondContact O-N 3.45Å; Q348-C351 PolarHBondContact O-N 3.12Å; Q348-T352 PolarHBondContact O-N 3.45Å; Q348-T352 PolarHBondContact O-OG1 3.22Å |
| 349 | K | 94.5 | Very high | 90.7 | Very high | 42 Ų | 42 | 54 Ų | 54 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 175.2 | -72.4 | -176.7 | 164.1 | -153 | 0 | 112.3 | F297 G327 F328 S330 Y331 P345 L346 V347 C351 T352 M356 | F297-K349 HydrophobicContact CE1-CB 3.99Å; F297-K349 HydrophobicContact CE1-CD 4.5Å; G327-K349 PolarHBondContact O-NZ 3.1Å; F328-K349 HydrophobicContact CD2-CD 4.47Å; F328-K349 HydrophobicContact CD2-CG 4.19Å; F328-K349 HydrophobicContact CE2-CB 3.86Å; F328-K349 HydrophobicContact CE2-CG 3.81Å; F328-K349 HydrophobicContact CZ-CB 4.21Å; F328-K349 VanDerWaalsContact CZ-O 3.29Å; F328-K349 WeakPolarHBondContact CZ-O 3.26Å; F328-K349 WeakPolarHBondContact O-CD 3.48Å; F328-K349 WeakPolarHBondContact O-CE 3.34Å; F328-K349 PolarHBondContact O-NZ 2.87Å; S330-K349 PolarHBondContact O-NZ 3.24Å; Y331-K349 HydrophobicContact CD2-CD 4.24Å; P345-K349 PolarHBondContact O-N 2.97Å; L346-K349 PolarHBondContact O-N 3.46Å; V347-K349 PolarHBondContact O-N 2.96Å; K349-C351 PolarHBondContact O-N 2.81Å; K349-T352 PolarHBondContact O-N 2.83Å; K349-M356 WeakPolarHBondContact O-CE 3.34Å |
| 350 | L | 94.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -23.7 | -179 | -64.8 | 173.7 | 0 | 0 | 0 | 113.5 | I166 V191 L195 V269 V271 F297 L346 V347 Q348 M356 | I166-L350 HydrophobicContact CD1-CB 4.46Å; I166-L350 HydrophobicContact CD1-CD1 4.48Å; V191-L350 HydrophobicContact CG1-CD1 4.31Å; L195-L350 HydrophobicContact CD2-CB 4.45Å; V269-L350 HydrophobicContact CG1-CD2 3.75Å; V271-L350 HydrophobicContact CG2-CD1 4.06Å; V271-L350 HydrophobicContact CG2-CD2 3.48Å; V271-L350 VanDerWaalsContact CG2-CD2 3.48Å; V271-L350 HydrophobicContact CG2-CG 4.43Å; F297-L350 HydrophobicContact CD1-CD2 4.37Å; F297-L350 HydrophobicContact CD2-CD2 3.98Å; F297-L350 HydrophobicContact CE2-CD2 4.15Å; F297-L350 HydrophobicContact CG-CD2 4.08Å; F297-L350 HydrophobicContact CZ-CD2 4.41Å; L346-L350 HydrophobicContact CD1-CD1 4.31Å; L346-L350 HydrophobicContact CD1-CG 4.24Å; L346-L350 HydrophobicContact CG-CD1 4.05Å; L346-L350 HydrophobicContact CG-CG 4.41Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.26Å; L346-L350 PolarHBondContact O-N 2.97Å; V347-L350 PolarHBondContact O-N 2.95Å; Q348-L350 PolarHBondContact O-N 3.45Å; L350-M356 VanDerWaalsContact O-CE 3.3Å; L350-M356 WeakPolarHBondContact O-CE 3.42Å |
| 351 | C | 93.1 | Very high | 89.7 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -0.7 | 179.8 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | C162 V347 Q348 K349 H353 | C162-C351 HydrophobicContact CB-CB 3.63Å; C162-C351 WeakPolarHBondContact CB-SG 3.11Å; C162-C351 VanDerWaalsContact SG-CA 3.58Å; C162-C351 WeakPolarHBondContact SG-CB 3.46Å; C162-C351 CovalentContact SG-SG 2.03Å; C162-C351 PolarHBondContact SG-SG 3.33Å; V347-C351 WeakPolarHBondContact O-CB 3.22Å; V347-C351 PolarHBondContact O-N 2.78Å; V347-C351 PolarHBondContact O-SG 3.14Å; Q348-C351 PolarHBondContact O-N 3.12Å; K349-C351 PolarHBondContact O-N 2.81Å; C351-H353 PolarHBondContact O-N 3.24Å; C351-H353 VanDerWaalsContact O-N 3.12Å |
| 352 | T | 91.1 | Very high | 89.4 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 29% | 0.288 | 24% | 0.24 | S | C | . | . | trans | -84.8 | 82.2 | 176.9 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | Q348 K349 E354 Q355 | Q348-T352 PolarHBondContact O-N 3.45Å; Q348-T352 PolarHBondContact O-OG1 3.22Å; K349-T352 PolarHBondContact O-N 2.83Å; T352-E354 VanDerWaalsContact C-N 3.28Å; T352-E354 PolarHBondContact O-N 3.17Å; T352-Q355 HydrophobicContact CG2-CB 3.98Å; T352-Q355 HydrophobicContact CG2-CG 3.66Å; T352-Q355 PolarHBondContact O-N 2.83Å; T352-Q355 VanDerWaalsContact O-N 3.14Å | ||
| 353 | H | 83.4 | Confident | 89.1 | Confident | 104 Ų | 104 | 51.6 Ų | 51.6 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -51.7 | -43.6 | -177.1 | 179 | 74.7 | 0 | 0 | 0 | 113.6 | P267 C351 Q355 M356 | P267-H353 WeakPolarHBondContact CD-ND1 3.32Å; P267-H353 VanDerWaalsContact CG-CE1 3.43Å; P267-H353 WeakPolarHBondContact CG-CE1 3.22Å; P267-H353 WeakPolarHBondContact CG-ND1 3.45Å; C351-H353 PolarHBondContact O-N 3.24Å; C351-H353 VanDerWaalsContact O-N 3.12Å; H353-Q355 PolarHBondContact O-N 3.09Å; H353-Q355 VanDerWaalsContact O-N 3.14Å; H353-M356 WeakPolarHBondContact O-CB 3.47Å; H353-M356 WeakPolarHBondContact O-CG 3.24Å; H353-M356 PolarHBondContact O-N 3.48Å; H353-M356 VanDerWaalsContact O-N 3.09Å |
| 354 | E | 79.1 | Confident | 88.7 | Confident | 179 Ų | 179 | 51.7 Ų | 51.7 | 84% | 0.836 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -63.9 | -19.6 | -176.1 | -62.9 | 173.4 | -176.4 | 0 | 0 | 113.7 | T352 | T352-E354 VanDerWaalsContact C-N 3.28Å; T352-E354 PolarHBondContact O-N 3.17Å |
| 355 | Q | 84.7 | Confident | 88.4 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 43% | 0.425 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -96.1 | 3.5 | 179.4 | -66.3 | -172 | 4.9 | 0 | 0 | 113.1 | F328 F329 T352 H353 M357 | F328-Q355 HydrophobicContact CD1-CB 3.92Å; F328-Q355 HydrophobicContact CE1-CB 3.43Å; F328-Q355 VanDerWaalsContact CE1-CB 3.43Å; F328-Q355 HydrophobicContact CE2-CB 4.14Å; F328-Q355 HydrophobicContact CG-CB 4.44Å; F328-Q355 HydrophobicContact CZ-CB 3.55Å; F328-Q355 HydrophobicContact CZ-CG 4.44Å; F329-Q355 VanDerWaalsContact CZ-O 3.25Å; F329-Q355 WeakPolarHBondContact CZ-O 3.43Å; T352-Q355 HydrophobicContact CG2-CB 3.98Å; T352-Q355 HydrophobicContact CG2-CG 3.66Å; T352-Q355 PolarHBondContact O-N 2.83Å; T352-Q355 VanDerWaalsContact O-N 3.14Å; H353-Q355 PolarHBondContact O-N 3.09Å; H353-Q355 VanDerWaalsContact O-N 3.14Å; Q355-M357 VanDerWaalsContact C-N 3.28Å; Q355-M357 PolarHBondContact O-N 3.49Å |
| 356 | M | 87.3 | Confident | 88.3 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 4% | 0.044 | 22% | 0.215 | C | C | . | . | trans | -82.9 | 66 | -177.7 | -62.3 | -65 | 174.9 | 0 | 0 | 112.4 | P267 V269 N295 F297 K349 L350 H353 C358 S359 | P267-M356 HydrophobicContact CB-CB 4.12Å; P267-M356 HydrophobicContact CB-CG 4Å; P267-M356 HydrophobicContact CG-CB 4.31Å; P267-M356 HydrophobicContact CG-CG 4.19Å; V269-M356 HydrophobicContact CG2-CE 4.23Å; V269-M356 HydrophobicContact CG2-SD 4.09Å; N295-M356 HydrophobicContact CB-SD 3.96Å; N295-M356 VanDerWaalsContact OD1-CA 3.29Å; N295-M356 WeakPolarHBondContact OD1-CA 3.4Å; N295-M356 PolarHBondContact OD1-O 2.64Å; F297-M356 HydrophobicContact CE2-CE 3.85Å; F297-M356 HydrophobicContact CE2-SD 3.76Å; F297-M356 HydrophobicContact CZ-CE 3.89Å; F297-M356 HydrophobicContact CZ-SD 4.12Å; K349-M356 WeakPolarHBondContact O-CE 3.34Å; L350-M356 VanDerWaalsContact O-CE 3.3Å; L350-M356 WeakPolarHBondContact O-CE 3.42Å; H353-M356 WeakPolarHBondContact O-CB 3.47Å; H353-M356 WeakPolarHBondContact O-CG 3.24Å; H353-M356 PolarHBondContact O-N 3.48Å; H353-M356 VanDerWaalsContact O-N 3.09Å; M356-C358 VanDerWaalsContact C-N 3.28Å; M356-C358 PolarHBondContact O-N 2.86Å; M356-C358 VanDerWaalsContact O-N 3.16Å; M356-S359 WeakPolarHBondContact CB-OG 3.39Å; M356-S359 WeakPolarHBondContact O-CB 3.42Å; M356-S359 PolarHBondContact O-N 3.14Å; M356-S359 PolarHBondContact O-OG 2.9Å | ||
| 357 | M | 78.4 | Confident | 88.4 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 14% | 0.138 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.1 | -169.7 | -58.1 | -57.8 | -68.7 | 0 | 0 | 116.1 | N295 F329 Q355 N364 E398 | N295-M357 PolarHBondContact OD1-N 3.41Å; F329-M357 HydrophobicContact CE2-CG 4.5Å; F329-M357 HydrophobicContact CZ-CB 4.33Å; F329-M357 HydrophobicContact CZ-CG 4.39Å; Q355-M357 VanDerWaalsContact C-N 3.28Å; Q355-M357 PolarHBondContact O-N 3.49Å; M357-N364 PolarHBondContact O-ND2 2.99Å; M357-E398 HydrophobicContact CE-CB 4.13Å; M357-E398 HydrophobicContact CE-CG 4.25Å |
| 358 | C | 85.2 | Confident | 88.5 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12.8 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 113.2 | G293 V294 N295 C323 M356 K360 | G293-C358 CarbonylContact C-O 3.55Å; G293-C358 VanDerWaalsContact C-O 3.29Å; G293-C358 WeakPolarHBondContact CA-O 3.23Å; V294-C358 WeakPolarHBondContact O-CB 3.35Å; N295-C358 PolarHBondContact OD1-N 3.26Å; C323-C358 WeakPolarHBondContact CA-SG 3.23Å; C323-C358 HydrophobicContact CB-CB 4.19Å; C323-C358 WeakPolarHBondContact CB-SG 3.16Å; C323-C358 WeakPolarHBondContact SG-CB 3.29Å; C323-C358 CovalentContact SG-SG 2Å; C323-C358 PolarHBondContact SG-SG 2.94Å; M356-C358 VanDerWaalsContact C-N 3.28Å; M356-C358 PolarHBondContact O-N 2.86Å; M356-C358 VanDerWaalsContact O-N 3.16Å; C358-K360 PolarHBondContact O-N 3.3Å; C358-K360 VanDerWaalsContact O-N 3.16Å |
| 359 | S | 83.3 | Confident | 88.7 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -60.1 | 124.2 | -179.8 | -48.9 | 0 | 0 | 0 | 0 | 108.5 | N295 M356 T361 N364 | N295-S359 PolarHBondContact ND2-OG 3.14Å; M356-S359 WeakPolarHBondContact CB-OG 3.39Å; M356-S359 WeakPolarHBondContact O-CB 3.42Å; M356-S359 PolarHBondContact O-N 3.14Å; M356-S359 PolarHBondContact O-OG 2.9Å; S359-T361 PolarHBondContact O-N 3.03Å; S359-N364 VanDerWaalsContact O-CG 3.31Å; S359-N364 PolarHBondContact O-ND2 3.42Å; S359-N364 PolarHBondContact O-OD1 2.93Å |
| 360 | K | 81.9 | Confident | 88.9 | Confident | 82 Ų | 82 | 36.4 Ų | 36.4 | 36% | 0.357 | 18% | 0.179 | S | C | . | . | trans | -65.8 | 113.8 | 175.1 | -71.5 | -169 | 178.8 | -178.4 | 0 | 109.8 | E291 C358 S365 | E291-K360 WeakPolarHBondContact O-CE 3.23Å; E291-K360 PolarHBondContact O-NZ 3.46Å; C358-K360 PolarHBondContact O-N 3.3Å; C358-K360 VanDerWaalsContact O-N 3.16Å; K360-S365 WeakPolarHBondContact CA-OG 3.48Å | ||
| 361 | T | 82.9 | Confident | 89.1 | Confident | 44 Ų | 44 | 36.3 Ų | 36.3 | 27% | 0.27 | 18% | 0.179 | S | C | . | . | trans | -133.4 | 165.7 | 175.6 | 72.2 | 0 | 0 | 0 | 0 | 109.2 | S359 Y363 N364 S365 | S359-T361 PolarHBondContact O-N 3.03Å; T361-Y363 PolarHBondContact O-N 3.45Å; T361-Y363 PolarHBondContact OG1-N 2.89Å; T361-N364 WeakPolarHBondContact CA-OD1 3.46Å; T361-N364 PolarHBondContact N-OD1 3.46Å; T361-N364 PolarHBondContact O-N 3.22Å; T361-N364 PolarHBondContact O-OD1 3.45Å; T361-N364 VanDerWaalsContact O-OD1 3.08Å; T361-N364 PolarHBondContact OG1-N 3.28Å; T361-N364 PolarHBondContact OG1-OD1 3.25Å; T361-S365 WeakPolarHBondContact O-CB 3.11Å; T361-S365 PolarHBondContact O-N 2.89Å | ||
| 362 | C | 87.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.3 | 172.7 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | N364 V366 F397 C542 F545 | C362-N364 VanDerWaalsContact C-N 3.35Å; C362-V366 WeakPolarHBondContact O-CG1 3.32Å; C362-V366 WeakPolarHBondContact O-CG2 3.05Å; C362-F397 WeakPolarHBondContact O-CD1 3.02Å; C362-F397 VanDerWaalsContact O-CE1 3.29Å; C362-F397 WeakPolarHBondContact O-CE1 3.45Å; C362-C542 VanDerWaalsContact CB-CA 3.46Å; C362-C542 HydrophobicContact CB-CB 3.64Å; C362-C542 WeakPolarHBondContact CB-SG 3.4Å; C362-C542 WeakPolarHBondContact SG-CB 3.24Å; C362-C542 CovalentContact SG-SG 2.04Å; C362-C542 PolarHBondContact SG-SG 3.39Å; C362-F545 HydrophobicContact CB-CB 3.8Å; C362-F545 HydrophobicContact CB-CD1 3.77Å; C362-F545 HydrophobicContact CB-CG 3.79Å |
| 363 | Y | 89.1 | Confident | 89.7 | Confident | 103 Ų | 103 | 32.7 Ų | 32.7 | 40% | 0.404 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19 | -176.6 | -61.6 | -71.5 | 0 | 0 | 0 | 113.4 | T361 T396 F397 E398 I538 | T361-Y363 PolarHBondContact O-N 3.45Å; T361-Y363 PolarHBondContact OG1-N 2.89Å; Y363-T396 HydrophobicContact CD1-CG2 4.21Å; Y363-T396 HydrophobicContact CE1-CG2 3.93Å; Y363-F397 HydrophobicContact CD1-CD1 4.49Å; Y363-F397 CarbonylContact O-C 3.59Å; Y363-F397 WeakPolarHBondContact O-CA 3.29Å; Y363-E398 PolarHBondContact O-N 3.26Å; Y363-I538 HydrophobicContact CE1-CG2 4.18Å |
| 364 | N | 87.6 | Confident | 90.4 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 5% | 0.048 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | 7.6 | -173.8 | 69.5 | -16.8 | 0 | 0 | 0 | 114.3 | M357 S359 T361 C362 E398 G403 A404 | M357-N364 PolarHBondContact O-ND2 2.99Å; S359-N364 VanDerWaalsContact O-CG 3.31Å; S359-N364 PolarHBondContact O-ND2 3.42Å; S359-N364 PolarHBondContact O-OD1 2.93Å; T361-N364 WeakPolarHBondContact CA-OD1 3.46Å; T361-N364 PolarHBondContact N-OD1 3.46Å; T361-N364 PolarHBondContact O-N 3.22Å; T361-N364 PolarHBondContact O-OD1 3.45Å; T361-N364 VanDerWaalsContact O-OD1 3.08Å; T361-N364 PolarHBondContact OG1-N 3.28Å; T361-N364 PolarHBondContact OG1-OD1 3.25Å; C362-N364 VanDerWaalsContact C-N 3.35Å; N364-E398 HydrophobicContact CB-CB 4.01Å; N364-G403 CarbonylContact O-C 3.46Å; N364-G403 WeakPolarHBondContact O-CA 3.39Å; N364-A404 PolarHBondContact O-N 3.45Å |
| 365 | S | 89.8 | Confident | 91.2 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 6% | 0.056 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -130.2 | 40 | 179.9 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | K360 T361 N466 K467 F545 | K360-S365 WeakPolarHBondContact CA-OG 3.48Å; T361-S365 WeakPolarHBondContact O-CB 3.11Å; T361-S365 PolarHBondContact O-N 2.89Å; S365-N466 VanDerWaalsContact C-CG 3.48Å; S365-N466 WeakPolarHBondContact CA-OD1 3.22Å; S365-N466 WeakPolarHBondContact O-CA 3.41Å; S365-K467 PolarHBondContact O-N 2.93Å; S365-F545 WeakPolarHBondContact O-CE2 3.38Å |
| 366 | V | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.2 | -176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | C362 I368 F397 A404 K405 K467 F469 F545 | C362-V366 WeakPolarHBondContact O-CG1 3.32Å; C362-V366 WeakPolarHBondContact O-CG2 3.05Å; V366-I368 HydrophobicContact CB-CG1 4.38Å; V366-I368 HydrophobicContact CG2-CD1 3.81Å; V366-I368 HydrophobicContact CG2-CG1 3.93Å; V366-F397 HydrophobicContact CG2-CD1 3.59Å; V366-F397 HydrophobicContact CG2-CE1 3.77Å; V366-A404 HydrophobicContact CG2-CB 3.95Å; V366-A404 CarbonylContact O-C 3.51Å; V366-A404 WeakPolarHBondContact O-CA 2.85Å; V366-K405 PolarHBondContact O-N 3.42Å; V366-K467 CarbonylContact C-O 3.59Å; V366-K467 VanDerWaalsContact CA-O 3.3Å; V366-K467 WeakPolarHBondContact CA-O 3.42Å; V366-F469 HydrophobicContact CB-CD2 3.99Å; V366-F469 HydrophobicContact CB-CE2 4.05Å; V366-F469 HydrophobicContact CG1-CD2 4.08Å; V366-F469 HydrophobicContact CG1-CE2 3.61Å; V366-F545 HydrophobicContact CG1-CD2 3.76Å; V366-F545 HydrophobicContact CG1-CE2 4.32Å; V366-F545 HydrophobicContact CG1-CG 4.46Å |
| 367 | N | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.1 | 167.4 | -54.9 | -41.4 | 0 | 0 | 0 | 107.2 | K405 F421 I461 S464 N466 K467 N468 F469 | N367-K405 CarbonylContact C-O 3.58Å; N367-K405 WeakPolarHBondContact CA-O 3.22Å; N367-F421 HydrophobicContact CB-CD1 4.29Å; N367-F421 HydrophobicContact CB-CE1 3.8Å; N367-F421 HydrophobicContact CB-CE2 4.4Å; N367-F421 HydrophobicContact CB-CZ 3.86Å; N367-I461 HydrophobicContact CB-CD1 3.84Å; N367-I461 VanDerWaalsContact ND2-CD1 3.32Å; N367-I461 WeakPolarHBondContact ND2-CD1 3.39Å; N367-S464 WeakPolarHBondContact ND2-CB 3.45Å; N367-S464 PolarHBondContact ND2-OG 3.33Å; N367-N466 WeakPolarHBondContact ND2-CB 3.49Å; N367-N466 WeakPolarHBondContact OD1-CB 3.49Å; N367-N466 PolarHBondContact OD1-ND2 3Å; N367-N466 VanDerWaalsContact OD1-ND2 3.12Å; N367-K467 PolarHBondContact N-O 3.03Å; N367-N468 WeakPolarHBondContact CB-OD1 3.46Å; N367-N468 PolarHBondContact ND2-OD1 3.08Å; N367-F469 PolarHBondContact O-N 3.31Å |
| 368 | I | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.6 | -177.5 | -54.5 | 169.4 | 0 | 0 | 0 | 108.9 | V366 F370 F397 K405 I406 A407 F421 F469 V471 I541 | V366-I368 HydrophobicContact CB-CG1 4.38Å; V366-I368 HydrophobicContact CG2-CD1 3.81Å; V366-I368 HydrophobicContact CG2-CG1 3.93Å; I368-F370 HydrophobicContact CG2-CD2 4.45Å; I368-F370 HydrophobicContact CG2-CE1 4.28Å; I368-F370 HydrophobicContact CG2-CE2 3.96Å; I368-F370 HydrophobicContact CG2-CZ 3.87Å; I368-F397 HydrophobicContact CD1-CD1 3.89Å; I368-F397 HydrophobicContact CD1-CD2 3.67Å; I368-F397 HydrophobicContact CD1-CE1 3.72Å; I368-F397 HydrophobicContact CD1-CE2 3.47Å; I368-F397 VanDerWaalsContact CD1-CE2 3.47Å; I368-F397 HydrophobicContact CD1-CG 3.89Å; I368-F397 HydrophobicContact CD1-CZ 3.52Å; I368-K405 PolarHBondContact N-O 3.18Å; I368-I406 HydrophobicContact CB-CD1 3.84Å; I368-I406 HydrophobicContact CD1-CD1 4.17Å; I368-I406 HydrophobicContact CG1-CD1 4.37Å; I368-I406 WeakPolarHBondContact O-CA 3.48Å; I368-A407 PolarHBondContact O-N 3.46Å; I368-F421 WeakPolarHBondContact O-CE1 3.38Å; I368-F469 WeakPolarHBondContact CA-O 3.36Å; I368-F469 HydrophobicContact CG1-CB 4.28Å; I368-V471 HydrophobicContact CG2-CG2 4Å; I368-I541 HydrophobicContact CD1-CD1 4.14Å |
| 369 | A | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A407 F421 T453 V457 F458 F469 L470 V471 | A369-A407 CarbonylContact C-O 3.41Å; A369-A407 WeakPolarHBondContact CA-O 3.34Å; A369-A407 HydrophobicContact CB-CB 4.28Å; A369-F421 HydrophobicContact CB-CZ 3.89Å; A369-T453 HydrophobicContact CB-CG2 4.05Å; A369-V457 HydrophobicContact CB-CG1 4.27Å; A369-F458 HydrophobicContact CB-CE1 4.45Å; A369-F458 HydrophobicContact CB-CE2 3.61Å; A369-F458 HydrophobicContact CB-CZ 3.49Å; A369-F458 VanDerWaalsContact CB-CZ 3.49Å; A369-F469 PolarHBondContact N-O 3.45Å; A369-L470 HydrophobicContact CB-CD1 4Å; A369-L470 WeakPolarHBondContact O-CA 3.2Å; A369-L470 WeakPolarHBondContact O-CD1 3.44Å; A369-V471 PolarHBondContact O-N 3.17Å |
| 370 | F | 98.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.1 | 169.7 | -64.9 | -81.4 | 0 | 0 | 0 | 109.5 | I368 I372 V390 I393 A394 I406 A407 A408 V409 V471 | I368-F370 HydrophobicContact CG2-CD2 4.45Å; I368-F370 HydrophobicContact CG2-CE1 4.28Å; I368-F370 HydrophobicContact CG2-CE2 3.96Å; I368-F370 HydrophobicContact CG2-CZ 3.87Å; F370-I372 HydrophobicContact CB-CD1 4.22Å; F370-I372 HydrophobicContact CB-CG1 4.01Å; F370-V390 HydrophobicContact CB-CG1 4.06Å; F370-V390 HydrophobicContact CB-CG2 4.26Å; F370-V390 HydrophobicContact CD1-CB 4.22Å; F370-V390 HydrophobicContact CD1-CG1 3.8Å; F370-V390 HydrophobicContact CD1-CG2 3.78Å; F370-V390 HydrophobicContact CD2-CG1 3.56Å; F370-V390 HydrophobicContact CE1-CB 4.44Å; F370-V390 HydrophobicContact CE1-CG1 4.08Å; F370-V390 HydrophobicContact CE1-CG2 4.34Å; F370-V390 HydrophobicContact CE2-CG1 3.85Å; F370-V390 HydrophobicContact CG-CB 4.38Å; F370-V390 HydrophobicContact CG-CG1 3.52Å; F370-V390 HydrophobicContact CG-CG2 4.09Å; F370-V390 HydrophobicContact CZ-CG1 4.1Å; F370-I393 HydrophobicContact CE1-CB 4.09Å; F370-I393 HydrophobicContact CE1-CD1 4.15Å; F370-I393 HydrophobicContact CE1-CG2 4.02Å; F370-I393 HydrophobicContact CZ-CB 3.91Å; F370-I393 HydrophobicContact CZ-CG2 3.71Å; F370-A394 HydrophobicContact CE2-CB 4.26Å; F370-I406 HydrophobicContact CD2-CG2 3.82Å; F370-I406 HydrophobicContact CE2-CD1 4.46Å; F370-I406 HydrophobicContact CE2-CG2 3.66Å; F370-A407 PolarHBondContact N-O 2.85Å; F370-A408 WeakPolarHBondContact O-CA 3.34Å; F370-V409 PolarHBondContact O-N 3.23Å; F370-V471 CarbonylContact C-O 3.19Å; F370-V471 WeakPolarHBondContact CA-O 3.32Å; F370-V471 HydrophobicContact CD1-CB 3.74Å; F370-V471 HydrophobicContact CD1-CG1 4.06Å; F370-V471 HydrophobicContact CD1-CG2 4.4Å; F370-V471 HydrophobicContact CE1-CB 3.94Å; F370-V471 HydrophobicContact CE1-CG1 4.15Å; F370-V471 HydrophobicContact CE1-CG2 4.15Å |
| 371 | L | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 104.2 | 173.4 | -169.4 | 59.3 | 0 | 0 | 0 | 108.2 | V409 F411 A449 I450 T453 L470 V471 I472 V473 | L371-V409 WeakPolarHBondContact CA-O 3.36Å; L371-V409 HydrophobicContact CD1-CB 3.77Å; L371-V409 HydrophobicContact CD1-CG1 3.72Å; L371-F411 HydrophobicContact CD1-CD1 3.78Å; L371-F411 HydrophobicContact CD1-CE1 4.43Å; L371-F411 HydrophobicContact CD1-CG 4.49Å; L371-F411 HydrophobicContact CG-CD1 3.68Å; L371-F411 HydrophobicContact CG-CE1 3.82Å; L371-A449 HydrophobicContact CD1-CB 3.92Å; L371-A449 HydrophobicContact CD2-CB 3.91Å; L371-A449 HydrophobicContact CG-CB 4.24Å; L371-I450 HydrophobicContact CD2-CG1 3.86Å; L371-T453 VanDerWaalsContact CD1-OG1 3.32Å; L371-T453 WeakPolarHBondContact CD1-OG1 3.32Å; L371-L470 HydrophobicContact CB-CD1 3.9Å; L371-V471 PolarHBondContact N-O 2.94Å; L371-I472 HydrophobicContact CB-CG1 4.21Å; L371-I472 HydrophobicContact CB-CG2 4.49Å; L371-I472 HydrophobicContact CD2-CD1 4.39Å; L371-I472 HydrophobicContact CD2-CG1 4.18Å; L371-I472 HydrophobicContact CD2-CG2 4.41Å; L371-I472 WeakPolarHBondContact O-CA 3.41Å; L371-V473 PolarHBondContact O-N 3.42Å |
| 372 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.9 | -164.2 | -49.1 | 173.2 | 0 | 0 | 0 | 109 | F370 G374 F383 M386 L387 V390 A408 V409 Q410 F411 I437 | F370-I372 HydrophobicContact CB-CD1 4.22Å; F370-I372 HydrophobicContact CB-CG1 4.01Å; I372-G374 PolarHBondContact O-N 2.04Å; I372-F383 HydrophobicContact CG2-CD2 4.49Å; I372-F383 HydrophobicContact CG2-CE2 3.72Å; I372-F383 HydrophobicContact CG2-CZ 4.34Å; I372-M386 HydrophobicContact CG2-SD 4.49Å; I372-L387 HydrophobicContact CD1-CD2 4.09Å; I372-V390 HydrophobicContact CD1-CG1 4.42Å; I372-V390 HydrophobicContact CD1-CG2 4Å; I372-V390 HydrophobicContact CG1-CG2 4.18Å; I372-A408 HydrophobicContact CD1-CB 4.27Å; I372-V409 PolarHBondContact N-O 2.83Å; I372-Q410 CarbonylContact O-C 3.22Å; I372-Q410 VanDerWaalsContact O-CA 3.29Å; I372-Q410 WeakPolarHBondContact O-CA 3.22Å; I372-F411 VanDerWaalsContact O-CD1 3.27Å; I372-F411 WeakPolarHBondContact O-CD1 3.31Å; I372-F411 PolarHBondContact O-N 3.12Å; I372-I437 HydrophobicContact CD1-CD1 4.32Å |
| 373 | D | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 118.3 | 175.6 | -169.7 | -13.1 | 0 | 0 | 0 | 110.8 | S375 V378 M386 F411 T444 V473 T474 D475 | D373-S375 WeakPolarHBondContact OD1-CB 3.36Å; D373-S375 PolarHBondContact OD1-N 2.97Å; D373-S375 PolarHBondContact OD1-OG 3.49Å; D373-V378 HydrophobicContact CB-CG2 4.44Å; D373-M386 HydrophobicContact CB-CE 4.47Å; D373-F411 HydrophobicContact CB-CE1 3.92Å; D373-F411 HydrophobicContact CB-CE2 4.47Å; D373-F411 HydrophobicContact CB-CZ 3.75Å; D373-T444 WeakPolarHBondContact OD2-CG2 3.41Å; D373-V473 WeakPolarHBondContact CB-O 3.44Å; D373-V473 PolarHBondContact N-O 3.38Å; D373-T474 WeakPolarHBondContact OD2-CA 3.47Å; D373-T474 WeakPolarHBondContact OD2-CB 3.31Å; D373-T474 PolarHBondContact OD2-OG1 3.37Å; D373-D475 PolarHBondContact OD2-N 2.84Å |
| 374 | G | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -107.9 | 20.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I372 F411 T412 Y439 M440 S441 | I372-G374 PolarHBondContact O-N 2.04Å; G374-F411 PolarHBondContact N-O 3.03Å; G374-T412 VanDerWaalsContact C-CG2 3.49Å; G374-T412 VanDerWaalsContact O-CG2 3.24Å; G374-T412 WeakPolarHBondContact O-CG2 3.4Å; G374-Y439 WeakPolarHBondContact O-CE2 3.48Å; G374-M440 CarbonylContact O-C 3.52Å; G374-S441 WeakPolarHBondContact O-CA 3.46Å; G374-S441 PolarHBondContact O-N 3.28Å | ||
| 375 | S | 97 | Very high | 96.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | trans | -68.3 | 161.6 | -176.7 | 64.7 | 0 | 0 | 0 | 0 | 113 | D373 S377 V378 Y439 G442 G443 T444 | D373-S375 WeakPolarHBondContact OD1-CB 3.36Å; D373-S375 PolarHBondContact OD1-N 2.97Å; D373-S375 PolarHBondContact OD1-OG 3.49Å; S375-S377 PolarHBondContact O-N 3.18Å; S375-S377 PolarHBondContact OG-OG 2.72Å; S375-S377 VanDerWaalsContact OG-OG 3.06Å; S375-V378 WeakPolarHBondContact O-CB 3.45Å; S375-V378 PolarHBondContact O-N 2.8Å; S375-Y439 PolarHBondContact O-OH 3.03Å; S375-G442 WeakPolarHBondContact CA-O 3.08Å; S375-G442 WeakPolarHBondContact CB-O 3.12Å; S375-G443 WeakPolarHBondContact CB-O 3.48Å; S375-T444 WeakPolarHBondContact CB-OG1 3.42Å; S375-T444 PolarHBondContact OG-OG1 3.41Å | ||
| 376 | S | 95.7 | Very high | 97.3 | Very high | 66 Ų | 66 | 26.6 Ų | 26.6 | 46% | 0.462 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.8 | -176.2 | -57.8 | 0 | 0 | 0 | 0 | 114.1 | V378 Y439 S441 G442 | S376-V378 VanDerWaalsContact C-N 3.32Å; S376-Y439 WeakPolarHBondContact CA-OH 3.5Å; S376-S441 PolarHBondContact OG-OG 3.36Å; S376-G442 PolarHBondContact N-O 3.2Å; S376-G442 PolarHBondContact OG-N 3.16Å; S376-G442 PolarHBondContact OG-O 3.01Å |
| 377 | S | 95.2 | Very high | 97.5 | Very high | 73 Ų | 73 | 26.8 Ų | 26.8 | 51% | 0.51 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -32.2 | 177.5 | 40.5 | 0 | 0 | 0 | 0 | 112.5 | S375 D475 | S375-S377 PolarHBondContact O-N 3.18Å; S375-S377 PolarHBondContact OG-OG 2.72Å; S375-S377 VanDerWaalsContact OG-OG 3.06Å; S377-D475 WeakPolarHBondContact CB-OD2 3.43Å; S377-D475 PolarHBondContact OG-OD1 3.26Å; S377-D475 PolarHBondContact OG-OD2 3.08Å |
| 378 | V | 96.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -57.4 | 179 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | D373 S375 S376 N382 F383 M386 Y439 D475 F527 | D373-V378 HydrophobicContact CB-CG2 4.44Å; S375-V378 WeakPolarHBondContact O-CB 3.45Å; S375-V378 PolarHBondContact O-N 2.8Å; S376-V378 VanDerWaalsContact C-N 3.32Å; V378-N382 HydrophobicContact CG1-CB 3.98Å; V378-N382 VanDerWaalsContact O-CB 3.22Å; V378-N382 WeakPolarHBondContact O-CB 3.47Å; V378-N382 PolarHBondContact O-ND2 3.37Å; V378-F383 HydrophobicContact CG1-CB 3.99Å; V378-F383 HydrophobicContact CG1-CD2 4.48Å; V378-M386 HydrophobicContact CG1-CE 4.12Å; V378-M386 HydrophobicContact CG1-SD 4.01Å; V378-M386 HydrophobicContact CG2-CE 3.93Å; V378-M386 HydrophobicContact CG2-SD 4.43Å; V378-Y439 HydrophobicContact CB-CE2 4.5Å; V378-D475 WeakPolarHBondContact CA-OD2 3.29Å; V378-D475 HydrophobicContact CG2-CB 4.04Å; V378-D475 VanDerWaalsContact CG2-CG 3.48Å; V378-D475 WeakPolarHBondContact CG2-OD1 3.32Å; V378-D475 PolarHBondContact N-OD2 3.28Å; V378-D475 VanDerWaalsContact N-OD2 3.16Å; V378-F527 HydrophobicContact CG1-CE1 4Å; V378-F527 HydrophobicContact CG1-CZ 4.12Å |
| 379 | G | 95.8 | Very high | 97.5 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | trans | 76.3 | 152.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S381 N382 F383 Y439 | G379-S381 PolarHBondContact O-N 3.36Å; G379-N382 PolarHBondContact O-N 3.16Å; G379-F383 WeakPolarHBondContact O-CB 3.39Å; G379-F383 PolarHBondContact O-N 2.91Å; G379-Y439 WeakPolarHBondContact CA-OH 3.43Å; G379-Y439 PolarHBondContact N-OH 3.44Å | ||
| 380 | D | 95.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 31.9 Ų | 31.9 | 47% | 0.465 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.6 | -43.3 | -170.1 | -173.2 | 15.6 | 0 | 0 | 0 | 113.2 | N382 F383 R384 Y439 | D380-N382 PolarHBondContact O-N 3.17Å; D380-F383 WeakPolarHBondContact O-CB 3.39Å; D380-F383 PolarHBondContact O-N 3.03Å; D380-R384 WeakPolarHBondContact O-CG 3.39Å; D380-R384 PolarHBondContact O-N 3.42Å; D380-R384 VanDerWaalsContact O-N 3.1Å; D380-R384 IonicContact OD1-NE 3.62Å; D380-Y439 HydrophobicContact CB-CD1 3.86Å; D380-Y439 HydrophobicContact CB-CE1 4.34Å; D380-Y439 HydrophobicContact CB-CG 4.46Å |
| 381 | S | 96.5 | Very high | 97.5 | Very high | 90 Ų | 90 | 32.2 Ų | 32.2 | 63% | 0.629 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -61.6 | -42.4 | -179.8 | 56.4 | 0 | 0 | 0 | 0 | 113 | G379 R384 | G379-S381 PolarHBondContact O-N 3.36Å; S381-R384 PolarHBondContact O-N 2.85Å |
| 382 | N | 97.6 | Very high | 97.5 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 25% | 0.251 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -77.2 | -31.6 | 179.6 | -66.1 | -31.7 | 0 | 0 | 0 | 111.5 | V378 G379 D380 R384 L385 M386 F527 | V378-N382 HydrophobicContact CG1-CB 3.98Å; V378-N382 VanDerWaalsContact O-CB 3.22Å; V378-N382 WeakPolarHBondContact O-CB 3.47Å; V378-N382 PolarHBondContact O-ND2 3.37Å; G379-N382 PolarHBondContact O-N 3.16Å; D380-N382 PolarHBondContact O-N 3.17Å; N382-R384 PolarHBondContact O-N 3.44Å; N382-L385 WeakPolarHBondContact O-CA 3.5Å; N382-L385 WeakPolarHBondContact O-CB 3.32Å; N382-L385 PolarHBondContact O-N 3.08Å; N382-M386 PolarHBondContact O-N 3.06Å; N382-F527 HydrophobicContact CB-CD1 3.65Å; N382-F527 HydrophobicContact CB-CD2 3.77Å; N382-F527 HydrophobicContact CB-CE1 3.6Å; N382-F527 HydrophobicContact CB-CE2 3.74Å; N382-F527 HydrophobicContact CB-CG 3.73Å; N382-F527 HydrophobicContact CB-CZ 3.65Å; N382-F527 VanDerWaalsContact CG-CD2 3.43Å; N382-F527 WeakPolarHBondContact ND2-CE2 3.48Å |
| 383 | F | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.2 | -37 | 173 | -172.9 | -104.7 | 0 | 0 | 0 | 111.1 | I372 V378 G379 D380 L385 M386 L387 Q410 I437 Y439 | I372-F383 HydrophobicContact CG2-CD2 4.49Å; I372-F383 HydrophobicContact CG2-CE2 3.72Å; I372-F383 HydrophobicContact CG2-CZ 4.34Å; V378-F383 HydrophobicContact CG1-CB 3.99Å; V378-F383 HydrophobicContact CG1-CD2 4.48Å; G379-F383 WeakPolarHBondContact O-CB 3.39Å; G379-F383 PolarHBondContact O-N 2.91Å; D380-F383 WeakPolarHBondContact O-CB 3.39Å; D380-F383 PolarHBondContact O-N 3.03Å; F383-L385 VanDerWaalsContact C-N 3.32Å; F383-L385 PolarHBondContact O-N 3.37Å; F383-M386 WeakPolarHBondContact O-CB 3.36Å; F383-M386 PolarHBondContact O-N 3.37Å; F383-L387 HydrophobicContact CD1-CD1 3.95Å; F383-L387 HydrophobicContact CD1-CG 4.17Å; F383-L387 HydrophobicContact CE1-CD1 3.63Å; F383-L387 HydrophobicContact CE1-CD2 4.12Å; F383-L387 HydrophobicContact CE1-CG 3.89Å; F383-L387 HydrophobicContact CZ-CD1 4.43Å; F383-L387 HydrophobicContact CZ-CD2 4.09Å; F383-L387 HydrophobicContact CZ-CG 4.3Å; F383-L387 WeakPolarHBondContact O-CG 3.36Å; F383-L387 PolarHBondContact O-N 3.07Å; F383-Q410 HydrophobicContact CE2-CG 4.34Å; F383-Q410 HydrophobicContact CZ-CG 4.3Å; F383-I437 HydrophobicContact CE1-CG2 4.03Å; F383-I437 HydrophobicContact CZ-CG2 3.83Å; F383-Y439 HydrophobicContact CB-CD2 3.74Å; F383-Y439 HydrophobicContact CB-CE2 4.33Å; F383-Y439 HydrophobicContact CB-CG 4.25Å; F383-Y439 HydrophobicContact CD1-CD2 4.01Å; F383-Y439 HydrophobicContact CD1-CG 4.21Å; F383-Y439 AromaticContact CD2-CD2 3.77Å; F383-Y439 HydrophobicContact CD2-CD2 3.77Å; F383-Y439 HydrophobicContact CD2-CE2 4.44Å; F383-Y439 HydrophobicContact CE2-CD2 4.36Å; F383-Y439 AromaticContact CG-CD2 3.56Å; F383-Y439 HydrophobicContact CG-CD2 3.56Å; F383-Y439 HydrophobicContact CG-CE2 4.44Å; F383-Y439 HydrophobicContact CG-CG 4.16Å |
| 384 | R | 98.1 | Very high | 97.5 | Very high | 116 Ų | 116 | 33.4 Ų | 33.4 | 44% | 0.438 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 171.9 | -62.5 | -57.4 | 176.8 | 160.2 | -1.4 | 113.3 | D380 S381 N382 L387 E388 R435 | D380-R384 WeakPolarHBondContact O-CG 3.39Å; D380-R384 PolarHBondContact O-N 3.42Å; D380-R384 VanDerWaalsContact O-N 3.1Å; D380-R384 IonicContact OD1-NE 3.62Å; S381-R384 PolarHBondContact O-N 2.85Å; N382-R384 PolarHBondContact O-N 3.44Å; R384-L387 PolarHBondContact O-N 3.06Å; R384-E388 PolarHBondContact O-N 3.3Å; R384-R435 PolarHBondContact NH1-O 2.76Å |
| 385 | L | 98.2 | Very high | 97.5 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 29% | 0.288 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.4 | -37.2 | 174.9 | -61.5 | 173.6 | 0 | 0 | 0 | 111.7 | N382 F383 E388 F389 F527 | N382-L385 WeakPolarHBondContact O-CA 3.5Å; N382-L385 WeakPolarHBondContact O-CB 3.32Å; N382-L385 PolarHBondContact O-N 3.08Å; F383-L385 VanDerWaalsContact C-N 3.32Å; F383-L385 PolarHBondContact O-N 3.37Å; L385-E388 PolarHBondContact O-N 3.05Å; L385-F389 PolarHBondContact O-N 3.45Å; L385-F527 HydrophobicContact CB-CB 4.21Å; L385-F527 HydrophobicContact CD1-CB 3.54Å |
| 386 | M | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 171.8 | -69.3 | -170.1 | 167.4 | 0 | 0 | 111.9 | I372 D373 V378 N382 F383 E388 F389 V390 V473 D475 F527 L530 | I372-M386 HydrophobicContact CG2-SD 4.49Å; D373-M386 HydrophobicContact CB-CE 4.47Å; V378-M386 HydrophobicContact CG1-CE 4.12Å; V378-M386 HydrophobicContact CG1-SD 4.01Å; V378-M386 HydrophobicContact CG2-CE 3.93Å; V378-M386 HydrophobicContact CG2-SD 4.43Å; N382-M386 PolarHBondContact O-N 3.06Å; F383-M386 WeakPolarHBondContact O-CB 3.36Å; F383-M386 PolarHBondContact O-N 3.37Å; M386-E388 VanDerWaalsContact C-N 3.32Å; M386-E388 PolarHBondContact O-N 2.99Å; M386-F389 WeakPolarHBondContact O-CB 3.33Å; M386-F389 PolarHBondContact O-N 2.95Å; M386-V390 WeakPolarHBondContact O-CG2 3.33Å; M386-V390 PolarHBondContact O-N 3.15Å; M386-V473 HydrophobicContact CE-CG1 4.01Å; M386-V473 HydrophobicContact CG-CG1 4.04Å; M386-V473 HydrophobicContact SD-CG1 4.02Å; M386-D475 HydrophobicContact CE-CB 4.11Å; M386-F527 HydrophobicContact CE-CD1 4.44Å; M386-F527 HydrophobicContact CE-CE1 3.48Å; M386-F527 VanDerWaalsContact CE-CE1 3.48Å; M386-F527 HydrophobicContact CE-CZ 4.19Å; M386-F527 HydrophobicContact CG-CD1 4.12Å; M386-F527 HydrophobicContact CG-CE1 3.93Å; M386-F527 HydrophobicContact SD-CE1 4.29Å; M386-L530 HydrophobicContact CG-CD1 4.22Å |
| 387 | L | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -34.4 | 176 | -66.5 | -178.6 | 0 | 0 | 0 | 112.6 | I372 F383 R384 S391 I434 I437 | I372-L387 HydrophobicContact CD1-CD2 4.09Å; F383-L387 HydrophobicContact CD1-CD1 3.95Å; F383-L387 HydrophobicContact CD1-CG 4.17Å; F383-L387 HydrophobicContact CE1-CD1 3.63Å; F383-L387 HydrophobicContact CE1-CD2 4.12Å; F383-L387 HydrophobicContact CE1-CG 3.89Å; F383-L387 HydrophobicContact CZ-CD1 4.43Å; F383-L387 HydrophobicContact CZ-CD2 4.09Å; F383-L387 HydrophobicContact CZ-CG 4.3Å; F383-L387 WeakPolarHBondContact O-CG 3.36Å; F383-L387 PolarHBondContact O-N 3.07Å; R384-L387 PolarHBondContact O-N 3.06Å; L387-S391 VanDerWaalsContact O-CB 3.3Å; L387-S391 WeakPolarHBondContact O-CB 3.36Å; L387-S391 PolarHBondContact O-N 3.49Å; L387-S391 PolarHBondContact O-OG 3.21Å; L387-I434 HydrophobicContact CB-CG2 4.48Å; L387-I434 WeakPolarHBondContact CD1-O 3.47Å; L387-I434 HydrophobicContact CD2-CG2 4.37Å; L387-I437 HydrophobicContact CD1-CB 4.11Å; L387-I437 HydrophobicContact CD2-CB 3.97Å; L387-I437 HydrophobicContact CD2-CD1 3.98Å; L387-I437 HydrophobicContact CD2-CG2 4.26Å |
| 388 | E | 98.4 | Very high | 97 | Very high | 104 Ų | 104 | 37.5 Ų | 37.5 | 49% | 0.486 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 172.9 | -179.5 | 169.5 | -166.8 | 0 | 0 | 111.4 | R384 L385 M386 V390 S391 N392 | R384-E388 PolarHBondContact O-N 3.3Å; L385-E388 PolarHBondContact O-N 3.05Å; M386-E388 VanDerWaalsContact C-N 3.32Å; M386-E388 PolarHBondContact O-N 2.99Å; E388-V390 PolarHBondContact O-N 2.93Å; E388-S391 WeakPolarHBondContact O-CB 3.47Å; E388-S391 PolarHBondContact O-N 3.32Å; E388-N392 VanDerWaalsContact O-CB 3.3Å; E388-N392 WeakPolarHBondContact O-CB 3.34Å; E388-N392 PolarHBondContact O-N 3.18Å; E388-N392 PolarHBondContact O-ND2 3.12Å |
| 389 | F | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.9 | -50.6 | 172.8 | 170.4 | -99.3 | 0 | 0 | 0 | 112 | L385 M386 S391 N392 I393 V471 V473 V499 L530 I533 V534 V537 | L385-F389 PolarHBondContact O-N 3.45Å; M386-F389 WeakPolarHBondContact O-CB 3.33Å; M386-F389 PolarHBondContact O-N 2.95Å; F389-S391 PolarHBondContact O-N 2.92Å; F389-N392 PolarHBondContact O-N 3.33Å; F389-I393 HydrophobicContact CD1-CD1 4.24Å; F389-I393 HydrophobicContact CD2-CD1 4.49Å; F389-I393 HydrophobicContact CE1-CD1 3.56Å; F389-I393 HydrophobicContact CE2-CD1 3.86Å; F389-I393 HydrophobicContact CZ-CD1 3.35Å; F389-I393 HydrophobicContact CZ-CG1 4.44Å; F389-I393 PolarHBondContact O-N 3.45Å; F389-I393 VanDerWaalsContact O-N 3.08Å; F389-V471 HydrophobicContact CE1-CG1 4.37Å; F389-V473 HydrophobicContact CD1-CG2 3.88Å; F389-V473 HydrophobicContact CE1-CG2 3.62Å; F389-V499 HydrophobicContact CE1-CG2 4.26Å; F389-V499 HydrophobicContact CZ-CB 4.47Å; F389-V499 HydrophobicContact CZ-CG1 4.19Å; F389-V499 HydrophobicContact CZ-CG2 3.91Å; F389-L530 HydrophobicContact CB-CB 4.04Å; F389-L530 HydrophobicContact CB-CD1 4.09Å; F389-L530 HydrophobicContact CD2-CB 3.79Å; F389-L530 HydrophobicContact CD2-CD2 4.12Å; F389-L530 HydrophobicContact CD2-CG 4.48Å; F389-L530 VanDerWaalsContact CD2-O 3.29Å; F389-L530 WeakPolarHBondContact CD2-O 3.42Å; F389-L530 HydrophobicContact CE2-CD2 4.36Å; F389-L530 HydrophobicContact CG-CB 4.11Å; F389-L530 HydrophobicContact CG-CD1 4.43Å; F389-L530 HydrophobicContact CG-CD2 4.2Å; F389-I533 HydrophobicContact CE2-CB 4.15Å; F389-I533 HydrophobicContact CE2-CG2 4Å; F389-I533 HydrophobicContact CZ-CG2 4.25Å; F389-V534 HydrophobicContact CD2-CG2 3.48Å; F389-V534 VanDerWaalsContact CD2-CG2 3.48Å; F389-V534 HydrophobicContact CE2-CG2 3.78Å; F389-V534 HydrophobicContact CG-CG2 4.48Å; F389-V537 HydrophobicContact CZ-CG2 4.27Å |
| 390 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | F370 I372 M386 E388 N392 I393 A394 I434 | F370-V390 HydrophobicContact CB-CG1 4.06Å; F370-V390 HydrophobicContact CB-CG2 4.26Å; F370-V390 HydrophobicContact CD1-CB 4.22Å; F370-V390 HydrophobicContact CD1-CG1 3.8Å; F370-V390 HydrophobicContact CD1-CG2 3.78Å; F370-V390 HydrophobicContact CD2-CG1 3.56Å; F370-V390 HydrophobicContact CE1-CB 4.44Å; F370-V390 HydrophobicContact CE1-CG1 4.08Å; F370-V390 HydrophobicContact CE1-CG2 4.34Å; F370-V390 HydrophobicContact CE2-CG1 3.85Å; F370-V390 HydrophobicContact CG-CB 4.38Å; F370-V390 HydrophobicContact CG-CG1 3.52Å; F370-V390 HydrophobicContact CG-CG2 4.09Å; F370-V390 HydrophobicContact CZ-CG1 4.1Å; I372-V390 HydrophobicContact CD1-CG1 4.42Å; I372-V390 HydrophobicContact CD1-CG2 4Å; I372-V390 HydrophobicContact CG1-CG2 4.18Å; M386-V390 WeakPolarHBondContact O-CG2 3.33Å; M386-V390 PolarHBondContact O-N 3.15Å; E388-V390 PolarHBondContact O-N 2.93Å; V390-N392 VanDerWaalsContact C-N 3.3Å; V390-N392 PolarHBondContact O-N 2.9Å; V390-I393 PolarHBondContact O-N 3.47Å; V390-A394 WeakPolarHBondContact O-CB 3.3Å; V390-A394 PolarHBondContact O-N 3.23Å; V390-I434 HydrophobicContact CB-CG2 4.37Å; V390-I434 HydrophobicContact CG1-CD1 4.12Å; V390-I434 HydrophobicContact CG1-CG1 4.42Å; V390-I434 HydrophobicContact CG1-CG2 3.96Å |
| 391 | S | 98.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 176.7 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | L387 E388 F389 A394 K395 L431 I434 | L387-S391 VanDerWaalsContact O-CB 3.3Å; L387-S391 WeakPolarHBondContact O-CB 3.36Å; L387-S391 PolarHBondContact O-N 3.49Å; L387-S391 PolarHBondContact O-OG 3.21Å; E388-S391 WeakPolarHBondContact O-CB 3.47Å; E388-S391 PolarHBondContact O-N 3.32Å; F389-S391 PolarHBondContact O-N 2.92Å; S391-A394 PolarHBondContact O-N 3.39Å; S391-K395 WeakPolarHBondContact O-CB 3.43Å; S391-K395 WeakPolarHBondContact O-CG 3.36Å; S391-K395 PolarHBondContact O-N 2.86Å; S391-L431 WeakPolarHBondContact O-CD2 3.32Å; S391-I434 WeakPolarHBondContact OG-CG2 3.28Å |
| 392 | N | 98.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 14% | 0.139 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.5 | -29 | -178.2 | -75.8 | -24.2 | 0 | 0 | 0 | 113 | E388 F389 V390 K395 T396 V534 | E388-N392 VanDerWaalsContact O-CB 3.3Å; E388-N392 WeakPolarHBondContact O-CB 3.34Å; E388-N392 PolarHBondContact O-N 3.18Å; E388-N392 PolarHBondContact O-ND2 3.12Å; F389-N392 PolarHBondContact O-N 3.33Å; V390-N392 VanDerWaalsContact C-N 3.3Å; V390-N392 PolarHBondContact O-N 2.9Å; N392-K395 WeakPolarHBondContact O-CG 3.2Å; N392-K395 WeakPolarHBondContact OD1-CE 3.29Å; N392-K395 PolarHBondContact OD1-NZ 2.91Å; N392-T396 PolarHBondContact O-OG1 2.88Å; N392-V534 HydrophobicContact CB-CG1 4.06Å; N392-V534 HydrophobicContact CB-CG2 3.92Å |
| 393 | I | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73 | -54.3 | 168.2 | -65.3 | 173.4 | 0 | 0 | 0 | 109.6 | F370 F389 V390 K395 T396 F397 V534 V537 I538 | F370-I393 HydrophobicContact CE1-CB 4.09Å; F370-I393 HydrophobicContact CE1-CD1 4.15Å; F370-I393 HydrophobicContact CE1-CG2 4.02Å; F370-I393 HydrophobicContact CZ-CB 3.91Å; F370-I393 HydrophobicContact CZ-CG2 3.71Å; F389-I393 HydrophobicContact CD1-CD1 4.24Å; F389-I393 HydrophobicContact CD2-CD1 4.49Å; F389-I393 HydrophobicContact CE1-CD1 3.56Å; F389-I393 HydrophobicContact CE2-CD1 3.86Å; F389-I393 HydrophobicContact CZ-CD1 3.35Å; F389-I393 HydrophobicContact CZ-CG1 4.44Å; F389-I393 PolarHBondContact O-N 3.45Å; F389-I393 VanDerWaalsContact O-N 3.08Å; V390-I393 PolarHBondContact O-N 3.47Å; I393-K395 VanDerWaalsContact C-N 3.31Å; I393-K395 PolarHBondContact O-N 2.68Å; I393-T396 WeakPolarHBondContact O-CB 3.5Å; I393-T396 PolarHBondContact O-N 2.62Å; I393-T396 VanDerWaalsContact O-N 3.12Å; I393-F397 HydrophobicContact CG2-CD2 4.44Å; I393-F397 HydrophobicContact CG2-CE2 3.82Å; I393-F397 VanDerWaalsContact O-CD2 3.3Å; I393-F397 WeakPolarHBondContact O-CD2 3.26Å; I393-V534 HydrophobicContact CG1-CB 4.41Å; I393-V534 HydrophobicContact CG1-CG1 3.93Å; I393-V534 HydrophobicContact CG1-CG2 4.39Å; I393-V537 HydrophobicContact CD1-CB 4.09Å; I393-V537 HydrophobicContact CD1-CG1 3.83Å; I393-I538 HydrophobicContact CG2-CG1 4.27Å |
| 394 | A | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.2 | -41.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | F370 V390 S391 T396 F397 I406 L431 I434 | F370-A394 HydrophobicContact CE2-CB 4.26Å; V390-A394 WeakPolarHBondContact O-CB 3.3Å; V390-A394 PolarHBondContact O-N 3.23Å; S391-A394 PolarHBondContact O-N 3.39Å; A394-T396 PolarHBondContact O-N 3.21Å; A394-T396 VanDerWaalsContact O-N 3.16Å; A394-F397 PolarHBondContact O-N 3.05Å; A394-F397 VanDerWaalsContact O-N 3.16Å; A394-I406 HydrophobicContact CB-CG1 4.5Å; A394-L431 HydrophobicContact CB-CD2 4.25Å; A394-I434 HydrophobicContact CB-CD1 4.01Å |
| 395 | K | 96.6 | Very high | 93.8 | Very high | 105 Ų | 105 | 33.2 Ų | 33.2 | 46% | 0.457 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.6 | -178.3 | 73.1 | -174 | -174.9 | -172.4 | 0 | 114.1 | S391 N392 I393 F397 K427 L431 | S391-K395 WeakPolarHBondContact O-CB 3.43Å; S391-K395 WeakPolarHBondContact O-CG 3.36Å; S391-K395 PolarHBondContact O-N 2.86Å; N392-K395 WeakPolarHBondContact O-CG 3.2Å; N392-K395 WeakPolarHBondContact OD1-CE 3.29Å; N392-K395 PolarHBondContact OD1-NZ 2.91Å; I393-K395 VanDerWaalsContact C-N 3.31Å; I393-K395 PolarHBondContact O-N 2.68Å; K395-F397 VanDerWaalsContact C-N 3.34Å; K395-K427 PolarHBondContact O-NZ 3.11Å; K395-K427 VanDerWaalsContact O-NZ 3.1Å; K395-L431 HydrophobicContact CB-CD1 3.94Å; K395-L431 HydrophobicContact CB-CD2 4Å |
| 396 | T | 95.3 | Very high | 93.8 | Very high | 50 Ų | 50 | 30.7 Ų | 30.7 | 31% | 0.307 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -25.3 | -179.5 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | Y363 N392 I393 A394 I538 | Y363-T396 HydrophobicContact CD1-CG2 4.21Å; Y363-T396 HydrophobicContact CE1-CG2 3.93Å; N392-T396 PolarHBondContact O-OG1 2.88Å; I393-T396 WeakPolarHBondContact O-CB 3.5Å; I393-T396 PolarHBondContact O-N 2.62Å; I393-T396 VanDerWaalsContact O-N 3.12Å; A394-T396 PolarHBondContact O-N 3.21Å; A394-T396 VanDerWaalsContact O-N 3.16Å; T396-I538 HydrophobicContact CG2-CD1 3.96Å; T396-I538 HydrophobicContact CG2-CG2 4.07Å; T396-I538 WeakPolarHBondContact OG1-CD1 3.37Å |
| 397 | F | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -87.8 | 150 | 180 | -65.6 | -90.9 | 0 | 0 | 0 | 111.2 | C362 Y363 V366 I368 I393 A394 K395 I399 A404 K427 I538 I541 | C362-F397 WeakPolarHBondContact O-CD1 3.02Å; C362-F397 VanDerWaalsContact O-CE1 3.29Å; C362-F397 WeakPolarHBondContact O-CE1 3.45Å; Y363-F397 HydrophobicContact CD1-CD1 4.49Å; Y363-F397 CarbonylContact O-C 3.59Å; Y363-F397 WeakPolarHBondContact O-CA 3.29Å; V366-F397 HydrophobicContact CG2-CD1 3.59Å; V366-F397 HydrophobicContact CG2-CE1 3.77Å; I368-F397 HydrophobicContact CD1-CD1 3.89Å; I368-F397 HydrophobicContact CD1-CD2 3.67Å; I368-F397 HydrophobicContact CD1-CE1 3.72Å; I368-F397 HydrophobicContact CD1-CE2 3.47Å; I368-F397 VanDerWaalsContact CD1-CE2 3.47Å; I368-F397 HydrophobicContact CD1-CG 3.89Å; I368-F397 HydrophobicContact CD1-CZ 3.52Å; I393-F397 HydrophobicContact CG2-CD2 4.44Å; I393-F397 HydrophobicContact CG2-CE2 3.82Å; I393-F397 VanDerWaalsContact O-CD2 3.3Å; I393-F397 WeakPolarHBondContact O-CD2 3.26Å; A394-F397 PolarHBondContact O-N 3.05Å; A394-F397 VanDerWaalsContact O-N 3.16Å; K395-F397 VanDerWaalsContact C-N 3.34Å; F397-I399 PolarHBondContact O-N 3.43Å; F397-I399 VanDerWaalsContact O-N 3.12Å; F397-A404 HydrophobicContact CB-CB 3.77Å; F397-A404 HydrophobicContact CD1-CB 4.48Å; F397-A404 HydrophobicContact CG-CB 4.49Å; F397-K427 WeakPolarHBondContact O-CE 3.5Å; F397-K427 PolarHBondContact O-NZ 3.02Å; F397-I538 HydrophobicContact CE2-CG1 4.25Å; F397-I541 HydrophobicContact CE1-CG2 3.96Å; F397-I541 HydrophobicContact CE2-CD1 4.48Å; F397-I541 HydrophobicContact CZ-CB 4.32Å; F397-I541 HydrophobicContact CZ-CD1 4.03Å; F397-I541 HydrophobicContact CZ-CG2 3.86Å |
| 398 | E | 90.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 30.5 Ų | 30.5 | 33% | 0.327 | 15% | 0.152 | S | C | . | . | trans | -84.8 | 82.3 | 177.8 | -68.3 | -53.7 | 117.1 | 0 | 0 | 110.4 | M357 Y363 N364 S400 A404 K427 | M357-E398 HydrophobicContact CE-CB 4.13Å; M357-E398 HydrophobicContact CE-CG 4.25Å; Y363-E398 PolarHBondContact O-N 3.26Å; N364-E398 HydrophobicContact CB-CB 4.01Å; E398-S400 PolarHBondContact O-N 2.87Å; E398-A404 PolarHBondContact O-N 2.77Å; E398-K427 IonicContact OE1-NZ 2.64Å; E398-K427 PolarHBondContact OE1-NZ 3.23Å; E398-K427 IonicContact OE2-NZ 2.83Å | ||
| 399 | I | 91.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.062 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -70.3 | 119.1 | -179.5 | -57 | 173 | 0 | 0 | 0 | 109.9 | F397 A404 I406 K427 V430 | F397-I399 PolarHBondContact O-N 3.43Å; F397-I399 VanDerWaalsContact O-N 3.12Å; I399-A404 WeakPolarHBondContact CA-O 3.36Å; I399-I406 HydrophobicContact CD1-CG1 3.56Å; I399-I406 HydrophobicContact CG1-CG1 3.9Å; I399-K427 HydrophobicContact CB-CB 4.16Å; I399-K427 HydrophobicContact CD1-CB 4.48Å; I399-K427 HydrophobicContact CD1-CG 4.28Å; I399-V430 HydrophobicContact CD1-CB 4Å; I399-V430 HydrophobicContact CD1-CG1 3.85Å; I399-V430 HydrophobicContact CD1-CG2 4.29Å; I399-V430 HydrophobicContact CG2-CG2 4.03Å |
| 400 | S | 86.8 | Confident | 93.8 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 12% | 0.119 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -163.5 | 169.7 | 172.9 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | E398 I402 G403 A404 S425 | E398-S400 PolarHBondContact O-N 2.87Å; S400-I402 PolarHBondContact O-N 3.37Å; S400-I402 VanDerWaalsContact O-N 3.11Å; S400-G403 PolarHBondContact O-N 3.24Å; S400-G403 VanDerWaalsContact OG-CA 3.31Å; S400-G403 WeakPolarHBondContact OG-CA 3.48Å; S400-G403 PolarHBondContact OG-N 3.06Å; S400-A404 PolarHBondContact N-O 2.86Å; S400-S425 VanDerWaalsContact CA-O 3.26Å; S400-S425 WeakPolarHBondContact CA-O 3.43Å |
| 401 | D | 81 | Confident | 93.8 | Very high | 118 Ų | 118 | 25.4 Ų | 25.4 | 63% | 0.631 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -32.1 | 175.5 | -66.3 | -50.7 | 0 | 0 | 0 | 113.7 | K405 S425 | D401-K405 WeakPolarHBondContact O-CE 3.44Å; D401-S425 WeakPolarHBondContact OD1-CB 3.16Å |
| 402 | I | 75.4 | Confident | 93.7 | Very high | 71 Ų | 71 | 25.3 Ų | 25.3 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 0.1 | -179.3 | 62.1 | 160.9 | 0 | 0 | 0 | 113 | C323 S400 | C323-I402 WeakPolarHBondContact O-CD1 3.24Å; S400-I402 PolarHBondContact O-N 3.37Å; S400-I402 VanDerWaalsContact O-N 3.11Å |
| 403 | G | 86.1 | Confident | 93.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -109.9 | -146.4 | -170 | 0 | 0 | 0 | 0 | 0 | 112.5 | N364 S400 N466 | N364-G403 CarbonylContact O-C 3.46Å; N364-G403 WeakPolarHBondContact O-CA 3.39Å; S400-G403 PolarHBondContact O-N 3.24Å; S400-G403 VanDerWaalsContact OG-CA 3.31Å; S400-G403 WeakPolarHBondContact OG-CA 3.48Å; S400-G403 PolarHBondContact OG-N 3.06Å; G403-N466 PolarHBondContact O-ND2 3.46Å |
| 404 | A | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -69.4 | 143.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | N364 V366 F397 E398 I399 S400 | N364-A404 PolarHBondContact O-N 3.45Å; V366-A404 HydrophobicContact CG2-CB 3.95Å; V366-A404 CarbonylContact O-C 3.51Å; V366-A404 WeakPolarHBondContact O-CA 2.85Å; F397-A404 HydrophobicContact CB-CB 3.77Å; F397-A404 HydrophobicContact CD1-CB 4.48Å; F397-A404 HydrophobicContact CG-CB 4.49Å; E398-A404 PolarHBondContact O-N 2.77Å; I399-A404 WeakPolarHBondContact CA-O 3.36Å; S400-A404 PolarHBondContact N-O 2.86Å |
| 405 | K | 95.9 | Very high | 93.3 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 24% | 0.239 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.6 | 175.5 | -56.4 | -170.5 | 177.3 | -165.6 | 0 | 109.6 | V366 N367 I368 D401 F421 | V366-K405 PolarHBondContact O-N 3.42Å; N367-K405 CarbonylContact C-O 3.58Å; N367-K405 WeakPolarHBondContact CA-O 3.22Å; I368-K405 PolarHBondContact N-O 3.18Å; D401-K405 WeakPolarHBondContact O-CE 3.44Å; K405-F421 HydrophobicContact CB-CB 4.12Å; K405-F421 HydrophobicContact CB-CD1 3.7Å; K405-F421 HydrophobicContact CB-CG 4.28Å; K405-F421 HydrophobicContact CD-CB 4.41Å; K405-F421 WeakPolarHBondContact O-CE1 3.26Å |
| 406 | I | 98.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.1 | -178.2 | -53.1 | -60 | 0 | 0 | 0 | 109.4 | I368 F370 A394 I399 F419 V430 | I368-I406 HydrophobicContact CB-CD1 3.84Å; I368-I406 HydrophobicContact CD1-CD1 4.17Å; I368-I406 HydrophobicContact CG1-CD1 4.37Å; I368-I406 WeakPolarHBondContact O-CA 3.48Å; F370-I406 HydrophobicContact CD2-CG2 3.82Å; F370-I406 HydrophobicContact CE2-CD1 4.46Å; F370-I406 HydrophobicContact CE2-CG2 3.66Å; A394-I406 HydrophobicContact CB-CG1 4.5Å; I399-I406 HydrophobicContact CD1-CG1 3.56Å; I399-I406 HydrophobicContact CG1-CG1 3.9Å; I406-F419 HydrophobicContact CB-CE2 4.36Å; I406-F419 HydrophobicContact CG2-CE2 4.03Å; I406-F419 HydrophobicContact CG2-CZ 4.13Å; I406-F419 WeakPolarHBondContact O-CE2 3.37Å; I406-V430 HydrophobicContact CB-CG1 3.95Å; I406-V430 HydrophobicContact CG1-CG1 4.24Å; I406-V430 HydrophobicContact CG2-CG1 4.02Å |
| 407 | A | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.4 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | I368 A369 F370 F419 F421 V457 | I368-A407 PolarHBondContact O-N 3.46Å; A369-A407 CarbonylContact C-O 3.41Å; A369-A407 WeakPolarHBondContact CA-O 3.34Å; A369-A407 HydrophobicContact CB-CB 4.28Å; F370-A407 PolarHBondContact N-O 2.85Å; A407-F419 WeakPolarHBondContact CA-O 3.4Å; A407-F421 HydrophobicContact CB-CD1 3.7Å; A407-F421 HydrophobicContact CB-CD2 4.24Å; A407-F421 HydrophobicContact CB-CE1 3.64Å; A407-F421 HydrophobicContact CB-CE2 4.22Å; A407-F421 HydrophobicContact CB-CG 4.01Å; A407-F421 HydrophobicContact CB-CZ 3.92Å; A407-V457 HydrophobicContact CB-CG1 3.49Å; A407-V457 VanDerWaalsContact CB-CG1 3.49Å |
| 408 | A | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F370 I372 E418 F419 I437 | F370-A408 WeakPolarHBondContact O-CA 3.34Å; I372-A408 HydrophobicContact CD1-CB 4.27Å; A408-E418 HydrophobicContact CB-CB 4.34Å; A408-E418 PolarHBondContact O-N 3.48Å; A408-F419 HydrophobicContact CB-CD1 3.95Å; A408-F419 HydrophobicContact CB-CE1 3.37Å; A408-F419 HydrophobicContact CB-CZ 3.7Å; A408-F419 PolarHBondContact N-O 3.4Å; A408-F419 PolarHBondContact O-N 3.16Å; A408-I437 HydrophobicContact CB-CD1 4.12Å |
| 409 | V | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.4 | 171.9 | 178 | 0 | 0 | 0 | 0 | 107.1 | F370 L371 I372 Q415 R416 F452 T453 V457 | F370-V409 PolarHBondContact O-N 3.23Å; L371-V409 WeakPolarHBondContact CA-O 3.36Å; L371-V409 HydrophobicContact CD1-CB 3.77Å; L371-V409 HydrophobicContact CD1-CG1 3.72Å; I372-V409 PolarHBondContact N-O 2.83Å; V409-Q415 HydrophobicContact CG1-CB 4.39Å; V409-R416 CarbonylContact C-O 3.57Å; V409-R416 WeakPolarHBondContact CA-O 3.39Å; V409-F452 HydrophobicContact CG1-CD1 4.09Å; V409-F452 HydrophobicContact CG1-CE1 4.22Å; V409-T453 HydrophobicContact CG2-CG2 4.4Å; V409-V457 HydrophobicContact CG2-CG2 3.59Å |
| 410 | Q | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 142.5 | 168 | -170.2 | 177.6 | -175.6 | 0 | 0 | 109.1 | I372 F383 R416 E418 R438 M440 | I372-Q410 CarbonylContact O-C 3.22Å; I372-Q410 VanDerWaalsContact O-CA 3.29Å; I372-Q410 WeakPolarHBondContact O-CA 3.22Å; F383-Q410 HydrophobicContact CE2-CG 4.34Å; F383-Q410 HydrophobicContact CZ-CG 4.3Å; Q410-R416 PolarHBondContact N-O 3.43Å; Q410-R416 PolarHBondContact O-N 2.66Å; Q410-E418 HydrophobicContact CB-CG 4.04Å; Q410-E418 WeakPolarHBondContact CB-OE1 3.5Å; Q410-E418 PolarHBondContact NE2-OE1 2.87Å; Q410-R438 PolarHBondContact NE2-O 2.82Å; Q410-R438 PolarHBondContact OE1-O 2.82Å; Q410-M440 HydrophobicContact CB-SD 3.9Å; Q410-M440 VanDerWaalsContact CD-CG 3.4Å; Q410-M440 HydrophobicContact CG-CB 4.47Å; Q410-M440 HydrophobicContact CG-CG 4.1Å; Q410-M440 HydrophobicContact CG-SD 3.52Å; Q410-M440 VanDerWaalsContact CG-SD 3.52Å |
| 411 | F | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149.9 | 178.8 | 74.3 | -83.9 | 0 | 0 | 0 | 113.4 | L371 I372 D373 G374 D414 Q415 T444 T446 A449 | L371-F411 HydrophobicContact CD1-CD1 3.78Å; L371-F411 HydrophobicContact CD1-CE1 4.43Å; L371-F411 HydrophobicContact CD1-CG 4.49Å; L371-F411 HydrophobicContact CG-CD1 3.68Å; L371-F411 HydrophobicContact CG-CE1 3.82Å; I372-F411 VanDerWaalsContact O-CD1 3.27Å; I372-F411 WeakPolarHBondContact O-CD1 3.31Å; I372-F411 PolarHBondContact O-N 3.12Å; D373-F411 HydrophobicContact CB-CE1 3.92Å; D373-F411 HydrophobicContact CB-CE2 4.47Å; D373-F411 HydrophobicContact CB-CZ 3.75Å; G374-F411 PolarHBondContact N-O 3.03Å; F411-D414 CarbonylContact C-O 3.55Å; F411-D414 WeakPolarHBondContact CA-O 3.49Å; F411-Q415 HydrophobicContact CB-CG 4.27Å; F411-T444 HydrophobicContact CE2-CG2 3.92Å; F411-T446 HydrophobicContact CE2-CG2 4.39Å; F411-T446 WeakPolarHBondContact CE2-OG1 3.44Å; F411-T446 HydrophobicContact CZ-CG2 4.09Å; F411-A449 HydrophobicContact CB-CB 3.51Å; F411-A449 HydrophobicContact CD1-CB 3.92Å; F411-A449 HydrophobicContact CD2-CB 3.69Å; F411-A449 HydrophobicContact CE2-CB 4.4Å; F411-A449 HydrophobicContact CG-CB 3.42Å; F411-A449 VanDerWaalsContact CG-CB 3.42Å |
| 412 | T | 96.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -132.7 | -115.7 | 163.3 | 62.2 | 0 | 0 | 0 | 0 | 109 | G374 D414 M440 G443 A445 | G374-T412 VanDerWaalsContact C-CG2 3.49Å; G374-T412 VanDerWaalsContact O-CG2 3.24Å; G374-T412 WeakPolarHBondContact O-CG2 3.4Å; T412-D414 PolarHBondContact N-O 2.72Å; T412-D414 PolarHBondContact OG1-N 2.96Å; T412-M440 HydrophobicContact CG2-CB 3.77Å; T412-M440 HydrophobicContact CG2-CE 3.88Å; T412-G443 CarbonylContact C-O 3.54Å; T412-G443 WeakPolarHBondContact CA-O 3.49Å; T412-G443 WeakPolarHBondContact CB-O 3.16Å; T412-A445 WeakPolarHBondContact O-CB 3.39Å; T412-A445 PolarHBondContact O-N 3.46Å |
| 413 | Y | 93.9 | Very high | 96.4 | Very high | 131 Ų | 131 | 38.7 Ų | 38.7 | 51% | 0.514 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -75.5 | -30 | 155.4 | -65.1 | -61 | 0 | 0 | 0 | 111.4 | Q415 G443 Y479 | Y413-Q415 PolarHBondContact O-NE2 2.77Å; Y413-G443 VanDerWaalsContact CD2-N 3.32Å; Y413-G443 VanDerWaalsContact CE2-CA 3.46Å; Y413-G443 VanDerWaalsContact CZ-CA 3.47Å; Y413-G443 PolarHBondContact N-O 3.45Å; Y413-Y479 HydrophobicContact CE1-CD2 4.04Å |
| 414 | D | 94.6 | Very high | 96.8 | Very high | 115 Ų | 115 | 43 Ų | 43 | 62% | 0.615 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -103.4 | 152.4 | 176.6 | -61.3 | -56.9 | 0 | 0 | 0 | 110.2 | F411 T412 | F411-D414 CarbonylContact C-O 3.55Å; F411-D414 WeakPolarHBondContact CA-O 3.49Å; T412-D414 PolarHBondContact N-O 2.72Å; T412-D414 PolarHBondContact OG1-N 2.96Å |
| 415 | Q | 97.4 | Very high | 96.6 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 23% | 0.229 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 134.5 | 176.5 | -56.2 | 73.9 | 34 | 0 | 0 | 110.3 | V409 F411 Y413 A449 F452 | V409-Q415 HydrophobicContact CG1-CB 4.39Å; F411-Q415 HydrophobicContact CB-CG 4.27Å; Y413-Q415 PolarHBondContact O-NE2 2.77Å; Q415-A449 HydrophobicContact CG-CB 4.07Å; Q415-F452 HydrophobicContact CB-CB 4.09Å; Q415-F452 HydrophobicContact CB-CD1 3.64Å; Q415-F452 HydrophobicContact CB-CD2 3.85Å; Q415-F452 HydrophobicContact CB-CE1 3.99Å; Q415-F452 HydrophobicContact CB-CE2 4.18Å; Q415-F452 HydrophobicContact CB-CG 3.57Å; Q415-F452 HydrophobicContact CB-CZ 4.26Å; Q415-F452 HydrophobicContact CG-CB 3.78Å; Q415-F452 HydrophobicContact CG-CD1 4.24Å; Q415-F452 HydrophobicContact CG-CD2 4.32Å; Q415-F452 HydrophobicContact CG-CG 3.86Å |
| 416 | R | 97.9 | Very high | 96.4 | Very high | 125 Ų | 125 | 44.7 Ų | 44.7 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 117 | 176 | -175.6 | -179.7 | -64.1 | 161.6 | 4.3 | 109.8 | V409 Q410 E418 M440 | V409-R416 CarbonylContact C-O 3.57Å; V409-R416 WeakPolarHBondContact CA-O 3.39Å; Q410-R416 PolarHBondContact N-O 3.43Å; Q410-R416 PolarHBondContact O-N 2.66Å; R416-E418 WeakPolarHBondContact CD-OE1 3.46Å; R416-E418 PolarHBondContact O-N 2.84Å; R416-E418 VanDerWaalsContact O-N 3.17Å; R416-M440 HydrophobicContact CB-SD 4.16Å |
| 417 | T | 98.4 | Very high | 96.1 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 30% | 0.301 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 110.8 | 164.1 | -53.5 | 0 | 0 | 0 | 0 | 108.1 | F452 V457 | T417-F452 WeakPolarHBondContact OG1-CE1 3.45Å; T417-V457 HydrophobicContact CG2-CG2 4.48Å |
| 418 | E | 98.5 | Very high | 96 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -40.4 | 174 | -62.5 | -65.1 | 159.7 | 0 | 0 | 109.7 | A408 Q410 R416 I437 | A408-E418 HydrophobicContact CB-CB 4.34Å; A408-E418 PolarHBondContact O-N 3.48Å; Q410-E418 HydrophobicContact CB-CG 4.04Å; Q410-E418 WeakPolarHBondContact CB-OE1 3.5Å; Q410-E418 PolarHBondContact NE2-OE1 2.87Å; R416-E418 WeakPolarHBondContact CD-OE1 3.46Å; R416-E418 PolarHBondContact O-N 2.84Å; R416-E418 VanDerWaalsContact O-N 3.17Å; E418-I437 HydrophobicContact CB-CD1 4.02Å; E418-I437 HydrophobicContact CB-CG1 4.05Å; E418-I437 HydrophobicContact CG-CD1 4.01Å; E418-I437 HydrophobicContact CG-CG1 4Å; E418-I437 HydrophobicContact CG-CG2 3.84Å |
| 419 | F | 98.4 | Very high | 96 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 151.8 | 167.6 | 61.3 | -85.2 | 0 | 0 | 0 | 111.9 | I406 A407 A408 D423 Y424 V430 V433 I434 I437 | I406-F419 HydrophobicContact CB-CE2 4.36Å; I406-F419 HydrophobicContact CG2-CE2 4.03Å; I406-F419 HydrophobicContact CG2-CZ 4.13Å; I406-F419 WeakPolarHBondContact O-CE2 3.37Å; A407-F419 WeakPolarHBondContact CA-O 3.4Å; A408-F419 HydrophobicContact CB-CD1 3.95Å; A408-F419 HydrophobicContact CB-CE1 3.37Å; A408-F419 HydrophobicContact CB-CZ 3.7Å; A408-F419 PolarHBondContact N-O 3.4Å; A408-F419 PolarHBondContact O-N 3.16Å; F419-D423 WeakPolarHBondContact CA-OD2 3.3Å; F419-D423 HydrophobicContact CB-CB 4.22Å; F419-Y424 HydrophobicContact CB-CD2 3.9Å; F419-Y424 HydrophobicContact CB-CE2 3.61Å; F419-Y424 AromaticContact CD2-CD2 3.93Å; F419-Y424 HydrophobicContact CD2-CD2 3.93Å; F419-Y424 HydrophobicContact CD2-CE2 4.42Å; F419-Y424 AromaticContact CG-CD2 3.96Å; F419-Y424 HydrophobicContact CG-CD2 3.96Å; F419-Y424 AromaticContact CG-CE2 3.97Å; F419-Y424 HydrophobicContact CG-CE2 3.97Å; F419-V430 HydrophobicContact CE2-CG1 4.32Å; F419-V430 HydrophobicContact CZ-CG1 4.25Å; F419-V433 HydrophobicContact CD1-CG1 3.56Å; F419-V433 HydrophobicContact CD1-CG2 4.12Å; F419-V433 HydrophobicContact CE1-CG1 3.53Å; F419-V433 HydrophobicContact CE2-CG1 4.47Å; F419-V433 HydrophobicContact CG-CG1 4.08Å; F419-V433 HydrophobicContact CZ-CG1 4.02Å; F419-I434 HydrophobicContact CE1-CG1 3.82Å; F419-I434 HydrophobicContact CZ-CD1 4.22Å; F419-I434 HydrophobicContact CZ-CG1 3.74Å; F419-I437 HydrophobicContact CE1-CD1 4.35Å |
| 420 | S | 97.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | trans | -96.3 | 169.2 | 179.8 | -52.3 | 0 | 0 | 0 | 0 | 112 | T422 D423 | S420-T422 PolarHBondContact O-N 2.77Å; S420-D423 PolarHBondContact N-OD2 3.05Å; S420-D423 PolarHBondContact O-N 2.94Å | ||
| 421 | F | 96.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -13.5 | 179.3 | -69.5 | -58.8 | 0 | 0 | 0 | 115.7 | N367 I368 A369 K405 A407 V457 F458 I461 | N367-F421 HydrophobicContact CB-CD1 4.29Å; N367-F421 HydrophobicContact CB-CE1 3.8Å; N367-F421 HydrophobicContact CB-CE2 4.4Å; N367-F421 HydrophobicContact CB-CZ 3.86Å; I368-F421 WeakPolarHBondContact O-CE1 3.38Å; A369-F421 HydrophobicContact CB-CZ 3.89Å; K405-F421 HydrophobicContact CB-CB 4.12Å; K405-F421 HydrophobicContact CB-CD1 3.7Å; K405-F421 HydrophobicContact CB-CG 4.28Å; K405-F421 HydrophobicContact CD-CB 4.41Å; K405-F421 WeakPolarHBondContact O-CE1 3.26Å; A407-F421 HydrophobicContact CB-CD1 3.7Å; A407-F421 HydrophobicContact CB-CD2 4.24Å; A407-F421 HydrophobicContact CB-CE1 3.64Å; A407-F421 HydrophobicContact CB-CE2 4.22Å; A407-F421 HydrophobicContact CB-CG 4.01Å; A407-F421 HydrophobicContact CB-CZ 3.92Å; F421-V457 HydrophobicContact CD2-CG1 3.83Å; F421-V457 WeakPolarHBondContact CD2-O 3.29Å; F421-V457 HydrophobicContact CE2-CG1 3.49Å; F421-V457 VanDerWaalsContact CE2-CG1 3.49Å; F421-V457 HydrophobicContact CZ-CG1 4.1Å; F421-F458 AromaticContact CE2-CD1 3.75Å; F421-F458 HydrophobicContact CE2-CD1 3.75Å; F421-F458 AromaticContact CE2-CE1 3.73Å; F421-F458 HydrophobicContact CE2-CE1 3.73Å; F421-F458 HydrophobicContact CE2-CG 4.36Å; F421-F458 HydrophobicContact CE2-CZ 4.35Å; F421-F458 HydrophobicContact CZ-CD1 4.06Å; F421-F458 AromaticContact CZ-CE1 3.54Å; F421-F458 HydrophobicContact CZ-CE1 3.54Å; F421-F458 AromaticContact CZ-CZ 3.95Å; F421-F458 HydrophobicContact CZ-CZ 3.95Å; F421-I461 HydrophobicContact CB-CG2 4.34Å; F421-I461 HydrophobicContact CD2-CD1 3.3Å; F421-I461 HydrophobicContact CD2-CG1 3.76Å; F421-I461 HydrophobicContact CD2-CG2 4.28Å; F421-I461 HydrophobicContact CE2-CD1 3.34Å; F421-I461 HydrophobicContact CE2-CG1 4.01Å; F421-I461 HydrophobicContact CG-CD1 4.06Å; F421-I461 HydrophobicContact CZ-CD1 4.16Å |
| 422 | T | 92.8 | Very high | 95.9 | Very high | 104 Ų | 104 | 59.8 Ų | 59.8 | 64% | 0.638 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -7 | -175.5 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | S420 | S420-T422 PolarHBondContact O-N 2.77Š|
| 423 | D | 95.3 | Very high | 96 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -30.1 | -170.9 | -63.5 | -9.4 | 0 | 0 | 0 | 111.6 | F419 S420 | F419-D423 WeakPolarHBondContact CA-OD2 3.3Å; F419-D423 HydrophobicContact CB-CB 4.22Å; S420-D423 PolarHBondContact N-OD2 3.05Å; S420-D423 PolarHBondContact O-N 2.94Å |
| 424 | Y | 95.1 | Very high | 96.2 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 35% | 0.353 | 29% | 0.288 | S | S | . | . | trans | -135.8 | 133.5 | 179.3 | -57.9 | -72.4 | 0 | 0 | 0 | 110.9 | F419 D429 V433 | F419-Y424 HydrophobicContact CB-CD2 3.9Å; F419-Y424 HydrophobicContact CB-CE2 3.61Å; F419-Y424 AromaticContact CD2-CD2 3.93Å; F419-Y424 HydrophobicContact CD2-CD2 3.93Å; F419-Y424 HydrophobicContact CD2-CE2 4.42Å; F419-Y424 AromaticContact CG-CD2 3.96Å; F419-Y424 HydrophobicContact CG-CD2 3.96Å; F419-Y424 AromaticContact CG-CE2 3.97Å; F419-Y424 HydrophobicContact CG-CE2 3.97Å; Y424-D429 HydrophobicContact CD1-CB 3.7Å; Y424-D429 HydrophobicContact CE1-CB 4.47Å; Y424-D429 HydrophobicContact CG-CB 4.24Å; Y424-V433 HydrophobicContact CD2-CG1 3.84Å; Y424-V433 HydrophobicContact CE2-CB 3.89Å; Y424-V433 HydrophobicContact CE2-CG1 3.63Å; Y424-V433 HydrophobicContact CE2-CG2 3.85Å | ||
| 425 | S | 87.8 | Confident | 96.3 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | trans | -115.9 | 1.9 | -178.1 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | S400 D401 | S400-S425 VanDerWaalsContact CA-O 3.26Å; S400-S425 WeakPolarHBondContact CA-O 3.43Å; D401-S425 WeakPolarHBondContact OD1-CB 3.16Å | ||
| 426 | T | 91.6 | Very high | 96.3 | Very high | 44 Ų | 44 | 60 Ų | 60 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -116.2 | 148.7 | 176.8 | 79.5 | 0 | 0 | 0 | 0 | 111.1 | E428 D429 V430 | T426-E428 PolarHBondContact O-N 2.98Å; T426-D429 PolarHBondContact O-N 2.99Å; T426-D429 WeakPolarHBondContact OG1-CB 3.3Å; T426-D429 PolarHBondContact OG1-N 3.19Å; T426-D429 VanDerWaalsContact OG1-N 3.1Å; T426-D429 PolarHBondContact OG1-OD2 3.37Å; T426-V430 WeakPolarHBondContact O-CG2 3.38Å; T426-V430 PolarHBondContact O-N 3.25Å; T426-V430 VanDerWaalsContact O-N 3.16Å |
| 427 | K | 93.4 | Very high | 96.4 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 177.2 | -174.3 | 177.4 | -62.4 | -162.8 | 0 | 110.4 | K395 F397 E398 I399 L431 | K395-K427 PolarHBondContact O-NZ 3.11Å; K395-K427 VanDerWaalsContact O-NZ 3.1Å; F397-K427 WeakPolarHBondContact O-CE 3.5Å; F397-K427 PolarHBondContact O-NZ 3.02Å; E398-K427 IonicContact OE1-NZ 2.64Å; E398-K427 PolarHBondContact OE1-NZ 3.23Å; E398-K427 IonicContact OE2-NZ 2.83Å; I399-K427 HydrophobicContact CB-CB 4.16Å; I399-K427 HydrophobicContact CD1-CB 4.48Å; I399-K427 HydrophobicContact CD1-CG 4.28Å; K427-L431 HydrophobicContact CG-CD1 4.02Å; K427-L431 HydrophobicContact CG-CG 4.48Å; K427-L431 WeakPolarHBondContact O-CB 3.47Å; K427-L431 WeakPolarHBondContact O-CG 3.47Å; K427-L431 PolarHBondContact O-N 3.16Å |
| 428 | E | 96.9 | Very high | 96.3 | Very high | 132 Ų | 132 | 61.3 Ų | 61.3 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.5 | -47 | -178.5 | -65.7 | 67.9 | -149 | 0 | 0 | 111.7 | T426 L431 A432 | T426-E428 PolarHBondContact O-N 2.98Å; E428-L431 PolarHBondContact O-N 3.37Å; E428-A432 WeakPolarHBondContact O-CB 2.99Å; E428-A432 PolarHBondContact O-N 3.32Å |
| 429 | D | 97.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | -180 | -63.6 | -36.6 | 0 | 0 | 0 | 111.6 | Y424 T426 L431 A432 V433 | Y424-D429 HydrophobicContact CD1-CB 3.7Å; Y424-D429 HydrophobicContact CE1-CB 4.47Å; Y424-D429 HydrophobicContact CG-CB 4.24Å; T426-D429 PolarHBondContact O-N 2.99Å; T426-D429 WeakPolarHBondContact OG1-CB 3.3Å; T426-D429 PolarHBondContact OG1-N 3.19Å; T426-D429 VanDerWaalsContact OG1-N 3.1Å; T426-D429 PolarHBondContact OG1-OD2 3.37Å; D429-L431 PolarHBondContact O-N 2.87Å; D429-A432 PolarHBondContact O-N 3.11Å; D429-V433 PolarHBondContact O-N 3.4Å |
| 430 | V | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | I399 I406 F419 T426 A432 V433 I434 | I399-V430 HydrophobicContact CD1-CB 4Å; I399-V430 HydrophobicContact CD1-CG1 3.85Å; I399-V430 HydrophobicContact CD1-CG2 4.29Å; I399-V430 HydrophobicContact CG2-CG2 4.03Å; I406-V430 HydrophobicContact CB-CG1 3.95Å; I406-V430 HydrophobicContact CG1-CG1 4.24Å; I406-V430 HydrophobicContact CG2-CG1 4.02Å; F419-V430 HydrophobicContact CE2-CG1 4.32Å; F419-V430 HydrophobicContact CZ-CG1 4.25Å; T426-V430 WeakPolarHBondContact O-CG2 3.38Å; T426-V430 PolarHBondContact O-N 3.25Å; T426-V430 VanDerWaalsContact O-N 3.16Å; V430-A432 VanDerWaalsContact C-N 3.31Å; V430-A432 PolarHBondContact O-N 3.12Å; V430-V433 VanDerWaalsContact O-CG1 3.27Å; V430-V433 WeakPolarHBondContact O-CG1 3.4Å; V430-V433 PolarHBondContact O-N 3.05Å; V430-I434 HydrophobicContact CG1-CD1 3.64Å; V430-I434 HydrophobicContact CG1-CG1 4.41Å; V430-I434 WeakPolarHBondContact O-CD1 3.09Å; V430-I434 WeakPolarHBondContact O-CG1 3.35Å; V430-I434 PolarHBondContact O-N 3.12Å |
| 431 | L | 98.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.3 | -33.3 | 178.6 | -66.9 | 176.2 | 0 | 0 | 0 | 112.3 | S391 A394 K395 K427 E428 D429 R435 | S391-L431 WeakPolarHBondContact O-CD2 3.32Å; A394-L431 HydrophobicContact CB-CD2 4.25Å; K395-L431 HydrophobicContact CB-CD1 3.94Å; K395-L431 HydrophobicContact CB-CD2 4Å; K427-L431 HydrophobicContact CG-CD1 4.02Å; K427-L431 HydrophobicContact CG-CG 4.48Å; K427-L431 WeakPolarHBondContact O-CB 3.47Å; K427-L431 WeakPolarHBondContact O-CG 3.47Å; K427-L431 PolarHBondContact O-N 3.16Å; E428-L431 PolarHBondContact O-N 3.37Å; D429-L431 PolarHBondContact O-N 2.87Å; L431-R435 WeakPolarHBondContact O-CD 3.4Å; L431-R435 VanDerWaalsContact O-CG 3.28Å; L431-R435 WeakPolarHBondContact O-CG 3.38Å; L431-R435 PolarHBondContact O-N 3.42Å |
| 432 | A | 98.2 | Very high | 95.8 | Very high | 44 Ų | 44 | 65.6 Ų | 65.6 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E428 D429 V430 N436 | E428-A432 WeakPolarHBondContact O-CB 2.99Å; E428-A432 PolarHBondContact O-N 3.32Å; D429-A432 PolarHBondContact O-N 3.11Å; V430-A432 VanDerWaalsContact C-N 3.31Å; V430-A432 PolarHBondContact O-N 3.12Å; A432-N436 PolarHBondContact O-N 3.36Å; A432-N436 PolarHBondContact O-ND2 3.32Å |
| 433 | V | 98.2 | Very high | 95.8 | Very high | 27 Ų | 27 | 61 Ų | 61 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 179 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | F419 Y424 D429 V430 R435 N436 I437 | F419-V433 HydrophobicContact CD1-CG1 3.56Å; F419-V433 HydrophobicContact CD1-CG2 4.12Å; F419-V433 HydrophobicContact CE1-CG1 3.53Å; F419-V433 HydrophobicContact CE2-CG1 4.47Å; F419-V433 HydrophobicContact CG-CG1 4.08Å; F419-V433 HydrophobicContact CZ-CG1 4.02Å; Y424-V433 HydrophobicContact CD2-CG1 3.84Å; Y424-V433 HydrophobicContact CE2-CB 3.89Å; Y424-V433 HydrophobicContact CE2-CG1 3.63Å; Y424-V433 HydrophobicContact CE2-CG2 3.85Å; D429-V433 PolarHBondContact O-N 3.4Å; V430-V433 VanDerWaalsContact O-CG1 3.27Å; V430-V433 WeakPolarHBondContact O-CG1 3.4Å; V430-V433 PolarHBondContact O-N 3.05Å; V433-R435 VanDerWaalsContact C-N 3.31Å; V433-R435 PolarHBondContact O-N 3.32Å; V433-N436 CarbonylContact O-C 3.57Å; V433-N436 PolarHBondContact O-N 3.15Å; V433-I437 PolarHBondContact O-N 3.33Å; V433-I437 VanDerWaalsContact O-N 3.16Å |
| 434 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.3 | -46.5 | 178.2 | -70 | 163 | 0 | 0 | 0 | 110.9 | L387 V390 S391 A394 F419 V430 N436 I437 | L387-I434 HydrophobicContact CB-CG2 4.48Å; L387-I434 WeakPolarHBondContact CD1-O 3.47Å; L387-I434 HydrophobicContact CD2-CG2 4.37Å; V390-I434 HydrophobicContact CB-CG2 4.37Å; V390-I434 HydrophobicContact CG1-CD1 4.12Å; V390-I434 HydrophobicContact CG1-CG1 4.42Å; V390-I434 HydrophobicContact CG1-CG2 3.96Å; S391-I434 WeakPolarHBondContact OG-CG2 3.28Å; A394-I434 HydrophobicContact CB-CD1 4.01Å; F419-I434 HydrophobicContact CE1-CG1 3.82Å; F419-I434 HydrophobicContact CZ-CD1 4.22Å; F419-I434 HydrophobicContact CZ-CG1 3.74Å; V430-I434 HydrophobicContact CG1-CD1 3.64Å; V430-I434 HydrophobicContact CG1-CG1 4.41Å; V430-I434 WeakPolarHBondContact O-CD1 3.09Å; V430-I434 WeakPolarHBondContact O-CG1 3.35Å; V430-I434 PolarHBondContact O-N 3.12Å; I434-N436 PolarHBondContact O-N 2.83Å; I434-I437 WeakPolarHBondContact O-CG1 3.37Å; I434-I437 PolarHBondContact O-N 3.1Å |
| 435 | R | 97.2 | Very high | 95.8 | Very high | 155 Ų | 155 | 53.2 Ų | 53.2 | 59% | 0.585 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.8 | -24.1 | -179.9 | -70.8 | 170.6 | -176.4 | 169.9 | 1.8 | 113.7 | R384 L431 V433 | R384-R435 PolarHBondContact NH1-O 2.76Å; L431-R435 WeakPolarHBondContact O-CD 3.4Å; L431-R435 VanDerWaalsContact O-CG 3.28Å; L431-R435 WeakPolarHBondContact O-CG 3.38Å; L431-R435 PolarHBondContact O-N 3.42Å; V433-R435 VanDerWaalsContact C-N 3.31Å; V433-R435 PolarHBondContact O-N 3.32Å |
| 436 | N | 97.4 | Very high | 96.2 | Very high | 120 Ų | 120 | 51 Ų | 51 | 64% | 0.642 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -100.1 | 0.7 | -176.2 | -71.7 | -47.7 | 0 | 0 | 0 | 113.7 | A432 V433 I434 R438 | A432-N436 PolarHBondContact O-N 3.36Å; A432-N436 PolarHBondContact O-ND2 3.32Å; V433-N436 CarbonylContact O-C 3.57Å; V433-N436 PolarHBondContact O-N 3.15Å; I434-N436 PolarHBondContact O-N 2.83Å; N436-R438 PolarHBondContact O-N 2.94Å |
| 437 | I | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 127 | 172 | -67.3 | 171.9 | 0 | 0 | 0 | 108.4 | I372 F383 L387 A408 E418 F419 V433 I434 | I372-I437 HydrophobicContact CD1-CD1 4.32Å; F383-I437 HydrophobicContact CE1-CG2 4.03Å; F383-I437 HydrophobicContact CZ-CG2 3.83Å; L387-I437 HydrophobicContact CD1-CB 4.11Å; L387-I437 HydrophobicContact CD2-CB 3.97Å; L387-I437 HydrophobicContact CD2-CD1 3.98Å; L387-I437 HydrophobicContact CD2-CG2 4.26Å; A408-I437 HydrophobicContact CB-CD1 4.12Å; E418-I437 HydrophobicContact CB-CD1 4.02Å; E418-I437 HydrophobicContact CB-CG1 4.05Å; E418-I437 HydrophobicContact CG-CD1 4.01Å; E418-I437 HydrophobicContact CG-CG1 4Å; E418-I437 HydrophobicContact CG-CG2 3.84Å; F419-I437 HydrophobicContact CE1-CD1 4.35Å; V433-I437 PolarHBondContact O-N 3.33Å; V433-I437 VanDerWaalsContact O-N 3.16Å; I434-I437 WeakPolarHBondContact O-CG1 3.37Å; I434-I437 PolarHBondContact O-N 3.1Å |
| 438 | R | 97.5 | Very high | 96.7 | Very high | 200 Ų | 200 | 51.3 Ų | 51.3 | 76% | 0.755 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -86.6 | 128.7 | -179 | -66 | -175.7 | -178.2 | -179.1 | 1.1 | 109.3 | Q410 N436 M440 | Q410-R438 PolarHBondContact NE2-O 2.82Å; Q410-R438 PolarHBondContact OE1-O 2.82Å; N436-R438 PolarHBondContact O-N 2.94Å; R438-M440 PolarHBondContact O-N 3.41Å |
| 439 | Y | 98 | Very high | 96.8 | Very high | 57 Ų | 57 | 45 Ų | 45 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -54.5 | 129.3 | 173.4 | 175.2 | -126.7 | 0 | 0 | 0 | 110.9 | G374 S375 S376 V378 G379 D380 F383 | G374-Y439 WeakPolarHBondContact O-CE2 3.48Å; S375-Y439 PolarHBondContact O-OH 3.03Å; S376-Y439 WeakPolarHBondContact CA-OH 3.5Å; V378-Y439 HydrophobicContact CB-CE2 4.5Å; G379-Y439 WeakPolarHBondContact CA-OH 3.43Å; G379-Y439 PolarHBondContact N-OH 3.44Å; D380-Y439 HydrophobicContact CB-CD1 3.86Å; D380-Y439 HydrophobicContact CB-CE1 4.34Å; D380-Y439 HydrophobicContact CB-CG 4.46Å; F383-Y439 HydrophobicContact CB-CD2 3.74Å; F383-Y439 HydrophobicContact CB-CE2 4.33Å; F383-Y439 HydrophobicContact CB-CG 4.25Å; F383-Y439 HydrophobicContact CD1-CD2 4.01Å; F383-Y439 HydrophobicContact CD1-CG 4.21Å; F383-Y439 AromaticContact CD2-CD2 3.77Å; F383-Y439 HydrophobicContact CD2-CD2 3.77Å; F383-Y439 HydrophobicContact CD2-CE2 4.44Å; F383-Y439 HydrophobicContact CE2-CD2 4.36Å; F383-Y439 AromaticContact CG-CD2 3.56Å; F383-Y439 HydrophobicContact CG-CD2 3.56Å; F383-Y439 HydrophobicContact CG-CE2 4.44Å; F383-Y439 HydrophobicContact CG-CG 4.16Å |
| 440 | M | 94.5 | Very high | 96.9 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | trans | -80.9 | -166.7 | 168 | -73.6 | 173.8 | 66 | 0 | 0 | 110.1 | G374 Q410 T412 R416 R438 | G374-M440 CarbonylContact O-C 3.52Å; Q410-M440 HydrophobicContact CB-SD 3.9Å; Q410-M440 VanDerWaalsContact CD-CG 3.4Å; Q410-M440 HydrophobicContact CG-CB 4.47Å; Q410-M440 HydrophobicContact CG-CG 4.1Å; Q410-M440 HydrophobicContact CG-SD 3.52Å; Q410-M440 VanDerWaalsContact CG-SD 3.52Å; T412-M440 HydrophobicContact CG2-CB 3.77Å; T412-M440 HydrophobicContact CG2-CE 3.88Å; R416-M440 HydrophobicContact CB-SD 4.16Å; R438-M440 PolarHBondContact O-N 3.41Å | ||
| 441 | S | 92.2 | Very high | 96.9 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 57% | 0.566 | 22% | 0.222 | S | C | * | . | trans | -164.9 | 135.3 | 168 | -174.1 | 0 | 0 | 0 | 0 | 106.7 | G374 S376 | G374-S441 WeakPolarHBondContact O-CA 3.46Å; G374-S441 PolarHBondContact O-N 3.28Å; S376-S441 PolarHBondContact OG-OG 3.36Å | ||
| 442 | G | 93.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 164.2 | -165.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S375 S376 | S375-G442 WeakPolarHBondContact CA-O 3.08Å; S375-G442 WeakPolarHBondContact CB-O 3.12Å; S376-G442 PolarHBondContact N-O 3.2Å; S376-G442 PolarHBondContact OG-N 3.16Å; S376-G442 PolarHBondContact OG-O 3.01Å |
| 443 | G | 93.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | trans | -81.6 | -168.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S375 T412 Y413 | S375-G443 WeakPolarHBondContact CB-O 3.48Å; T412-G443 CarbonylContact C-O 3.54Å; T412-G443 WeakPolarHBondContact CA-O 3.49Å; T412-G443 WeakPolarHBondContact CB-O 3.16Å; Y413-G443 VanDerWaalsContact CD2-N 3.32Å; Y413-G443 VanDerWaalsContact CE2-CA 3.46Å; Y413-G443 VanDerWaalsContact CZ-CA 3.47Å; Y413-G443 PolarHBondContact N-O 3.45Å | ||
| 444 | T | 93.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | trans | -125.5 | 94.4 | -171.4 | -47.3 | 0 | 0 | 0 | 0 | 109.4 | D373 S375 F411 S478 Y479 | D373-T444 WeakPolarHBondContact OD2-CG2 3.41Å; S375-T444 WeakPolarHBondContact CB-OG1 3.42Å; S375-T444 PolarHBondContact OG-OG1 3.41Å; F411-T444 HydrophobicContact CE2-CG2 3.92Å; T444-S478 CarbonylContact O-C 3.01Å; T444-S478 WeakPolarHBondContact O-CA 3.45Å; T444-S478 PolarHBondContact O-OG 2.72Å; T444-Y479 WeakPolarHBondContact O-CD2 3.42Å; T444-Y479 PolarHBondContact O-N 2.83Å | ||
| 445 | A | 96.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | trans | -109.3 | 75.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T412 D448 A449 | T412-A445 WeakPolarHBondContact O-CB 3.39Å; T412-A445 PolarHBondContact O-N 3.46Å; A445-D448 HydrophobicContact CB-CB 4.48Å; A445-A449 VanDerWaalsContact O-CB 3.28Å; A445-A449 WeakPolarHBondContact O-CB 3.43Å; A445-A449 PolarHBondContact O-N 3.45Å; A445-A449 VanDerWaalsContact O-N 3.15Å | ||
| 446 | T | 96.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.4 | -34.8 | -174.5 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | F411 A449 I450 I472 S478 D480 M512 | F411-T446 HydrophobicContact CE2-CG2 4.39Å; F411-T446 WeakPolarHBondContact CE2-OG1 3.44Å; F411-T446 HydrophobicContact CZ-CG2 4.09Å; T446-A449 WeakPolarHBondContact O-CB 3.34Å; T446-A449 PolarHBondContact O-N 3.3Å; T446-I450 HydrophobicContact CG2-CD1 4.3Å; T446-I450 VanDerWaalsContact O-CG1 3.31Å; T446-I450 WeakPolarHBondContact O-CG1 3.5Å; T446-I450 PolarHBondContact O-N 3.11Å; T446-I472 HydrophobicContact CG2-CG2 4.08Å; T446-S478 WeakPolarHBondContact CB-OG 3.49Å; T446-S478 PolarHBondContact N-OG 3.33Å; T446-S478 PolarHBondContact OG1-OG 2.96Å; T446-D480 PolarHBondContact N-OD1 3.08Å; T446-M512 HydrophobicContact CG2-CE 4.37Å; T446-M512 HydrophobicContact CG2-SD 3.42Å; T446-M512 WeakPolarHBondContact CG2-SD 3.15Å |
| 447 | G | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -50.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | A449 I450 S451 D480 D481 P485 | G447-A449 VanDerWaalsContact C-N 3.26Å; G447-A449 PolarHBondContact O-N 3.08Å; G447-I450 PolarHBondContact O-N 3.14Å; G447-S451 PolarHBondContact O-N 3.47Å; G447-S451 PolarHBondContact O-OG 3.25Å; G447-D480 WeakPolarHBondContact CA-OD2 3.45Å; G447-D480 PolarHBondContact N-OD1 2.89Å; G447-D480 PolarHBondContact N-OD2 2.99Å; G447-D481 VanDerWaalsContact CA-O 3.28Å; G447-D481 WeakPolarHBondContact CA-O 3.44Å; G447-P485 WeakPolarHBondContact O-CB 3.43Å; G447-P485 WeakPolarHBondContact O-CG 3.34Å |
| 448 | D | 98.1 | Very high | 96.8 | Very high | 90 Ų | 90 | 40.2 Ų | 40.2 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.4 | -37.3 | 173.8 | -85.3 | -11.3 | 0 | 0 | 0 | 111.3 | A445 S451 F452 D480 | A445-D448 HydrophobicContact CB-CB 4.48Å; D448-S451 PolarHBondContact O-N 3.11Å; D448-F452 VanDerWaalsContact O-CB 3.29Å; D448-F452 WeakPolarHBondContact O-CB 3.36Å; D448-F452 PolarHBondContact O-N 3.2Å; D448-D480 PolarHBondContact N-OD2 3.4Å |
| 449 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L371 F411 Q415 A445 T446 G447 T453 | L371-A449 HydrophobicContact CD1-CB 3.92Å; L371-A449 HydrophobicContact CD2-CB 3.91Å; L371-A449 HydrophobicContact CG-CB 4.24Å; F411-A449 HydrophobicContact CB-CB 3.51Å; F411-A449 HydrophobicContact CD1-CB 3.92Å; F411-A449 HydrophobicContact CD2-CB 3.69Å; F411-A449 HydrophobicContact CE2-CB 4.4Å; F411-A449 HydrophobicContact CG-CB 3.42Å; F411-A449 VanDerWaalsContact CG-CB 3.42Å; Q415-A449 HydrophobicContact CG-CB 4.07Å; A445-A449 VanDerWaalsContact O-CB 3.28Å; A445-A449 WeakPolarHBondContact O-CB 3.43Å; A445-A449 PolarHBondContact O-N 3.45Å; A445-A449 VanDerWaalsContact O-N 3.15Å; T446-A449 WeakPolarHBondContact O-CB 3.34Å; T446-A449 PolarHBondContact O-N 3.3Å; G447-A449 VanDerWaalsContact C-N 3.26Å; G447-A449 PolarHBondContact O-N 3.08Å; A449-T453 WeakPolarHBondContact O-CB 3.49Å; A449-T453 PolarHBondContact O-N 3.41Å; A449-T453 PolarHBondContact O-OG1 3.3Å |
| 450 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -51.4 | 171.7 | -67.6 | 163.4 | 0 | 0 | 0 | 109.4 | L371 T446 G447 F452 T453 V454 L470 I472 P485 A486 A489 M512 | L371-I450 HydrophobicContact CD2-CG1 3.86Å; T446-I450 HydrophobicContact CG2-CD1 4.3Å; T446-I450 VanDerWaalsContact O-CG1 3.31Å; T446-I450 WeakPolarHBondContact O-CG1 3.5Å; T446-I450 PolarHBondContact O-N 3.11Å; G447-I450 PolarHBondContact O-N 3.14Å; I450-F452 VanDerWaalsContact C-N 3.28Å; I450-F452 PolarHBondContact O-N 2.8Å; I450-T453 PolarHBondContact O-N 3.31Å; I450-T453 VanDerWaalsContact O-N 3.14Å; I450-V454 HydrophobicContact CG2-CG2 4.32Å; I450-V454 VanDerWaalsContact O-CG2 3.32Å; I450-V454 WeakPolarHBondContact O-CG2 3.26Å; I450-V454 PolarHBondContact O-N 3.06Å; I450-L470 HydrophobicContact CG2-CD2 4.47Å; I450-I472 HydrophobicContact CD1-CD1 3.78Å; I450-I472 HydrophobicContact CG1-CD1 3.77Å; I450-P485 HydrophobicContact CB-CB 3.93Å; I450-P485 HydrophobicContact CG2-CB 3.93Å; I450-P485 WeakPolarHBondContact CG2-O 3.44Å; I450-A486 HydrophobicContact CD1-CB 4.47Å; I450-A489 HydrophobicContact CG2-CB 4.04Å; I450-M512 HydrophobicContact CD1-CG 4.01Å; I450-M512 HydrophobicContact CD1-SD 3.91Å |
| 451 | S | 98.6 | Very high | 96.6 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -37.9 | -180 | -67.1 | 0 | 0 | 0 | 0 | 112.9 | G447 D448 R455 P485 | G447-S451 PolarHBondContact O-N 3.47Å; G447-S451 PolarHBondContact O-OG 3.25Å; D448-S451 PolarHBondContact O-N 3.11Å; S451-R455 WeakPolarHBondContact O-CB 3.4Å; S451-R455 WeakPolarHBondContact O-CG 3.36Å; S451-R455 PolarHBondContact O-N 3.25Å; S451-R455 PolarHBondContact O-NE 3.02Å; S451-P485 WeakPolarHBondContact OG-CB 3.32Å |
| 452 | F | 98.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -48.1 | 175.2 | 179.4 | -86.6 | 0 | 0 | 0 | 111.2 | V409 Q415 T417 D448 I450 R455 N456 | V409-F452 HydrophobicContact CG1-CD1 4.09Å; V409-F452 HydrophobicContact CG1-CE1 4.22Å; Q415-F452 HydrophobicContact CB-CB 4.09Å; Q415-F452 HydrophobicContact CB-CD1 3.64Å; Q415-F452 HydrophobicContact CB-CD2 3.85Å; Q415-F452 HydrophobicContact CB-CE1 3.99Å; Q415-F452 HydrophobicContact CB-CE2 4.18Å; Q415-F452 HydrophobicContact CB-CG 3.57Å; Q415-F452 HydrophobicContact CB-CZ 4.26Å; Q415-F452 HydrophobicContact CG-CB 3.78Å; Q415-F452 HydrophobicContact CG-CD1 4.24Å; Q415-F452 HydrophobicContact CG-CD2 4.32Å; Q415-F452 HydrophobicContact CG-CG 3.86Å; T417-F452 WeakPolarHBondContact OG1-CE1 3.45Å; D448-F452 VanDerWaalsContact O-CB 3.29Å; D448-F452 WeakPolarHBondContact O-CB 3.36Å; D448-F452 PolarHBondContact O-N 3.2Å; I450-F452 VanDerWaalsContact C-N 3.28Å; I450-F452 PolarHBondContact O-N 2.8Å; F452-R455 PolarHBondContact O-N 3.47Å; F452-N456 HydrophobicContact CD1-CB 4.49Å; F452-N456 WeakPolarHBondContact CD2-ND2 2.92Å; F452-N456 HydrophobicContact CE1-CB 4.15Å; F452-N456 HydrophobicContact CE2-CB 4.48Å; F452-N456 WeakPolarHBondContact CE2-ND2 3.31Å; F452-N456 HydrophobicContact CZ-CB 4.14Å; F452-N456 WeakPolarHBondContact O-CB 3.48Å; F452-N456 PolarHBondContact O-N 3.4Å; F452-N456 PolarHBondContact O-ND2 3.48Å |
| 453 | T | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | -178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | A369 L371 V409 A449 I450 R455 V457 F458 L470 | A369-T453 HydrophobicContact CB-CG2 4.05Å; L371-T453 VanDerWaalsContact CD1-OG1 3.32Å; L371-T453 WeakPolarHBondContact CD1-OG1 3.32Å; V409-T453 HydrophobicContact CG2-CG2 4.4Å; A449-T453 WeakPolarHBondContact O-CB 3.49Å; A449-T453 PolarHBondContact O-N 3.41Å; A449-T453 PolarHBondContact O-OG1 3.3Å; I450-T453 PolarHBondContact O-N 3.31Å; I450-T453 VanDerWaalsContact O-N 3.14Å; T453-R455 VanDerWaalsContact C-N 3.33Å; T453-R455 PolarHBondContact O-N 3.14Å; T453-V457 HydrophobicContact CG2-CB 4.07Å; T453-V457 HydrophobicContact CG2-CG2 4.31Å; T453-V457 WeakPolarHBondContact O-CA 3.28Å; T453-V457 VanDerWaalsContact O-CB 3.29Å; T453-V457 WeakPolarHBondContact O-CB 3.34Å; T453-V457 PolarHBondContact O-N 3.16Å; T453-F458 HydrophobicContact CG2-CD2 4.05Å; T453-F458 HydrophobicContact CG2-CE2 3.88Å; T453-F458 PolarHBondContact O-N 3.24Å; T453-F458 VanDerWaalsContact O-N 3.09Å; T453-L470 HydrophobicContact CG2-CD1 3.87Å |
| 454 | V | 98.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -58 | -45.9 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | I450 G459 A489 A492 I494 | I450-V454 HydrophobicContact CG2-CG2 4.32Å; I450-V454 VanDerWaalsContact O-CG2 3.32Å; I450-V454 WeakPolarHBondContact O-CG2 3.26Å; I450-V454 PolarHBondContact O-N 3.06Å; V454-G459 PolarHBondContact O-N 2.94Å; V454-A489 HydrophobicContact CG2-CB 3.56Å; V454-A492 HydrophobicContact CG1-CB 4.42Å; V454-I494 HydrophobicContact CB-CD1 4.45Å; V454-I494 HydrophobicContact CG1-CD1 4.27Å; V454-I494 HydrophobicContact CG2-CD1 3.86Å |
| 455 | R | 97.5 | Very high | 94.8 | Very high | 170 Ų | 170 | 52.6 Ų | 52.6 | 64% | 0.642 | 27% | 0.268 | S | S | * | . | I | π-helix | trans | -74 | -48.9 | -176.9 | -72.3 | -175.5 | -66.6 | 172 | -0.9 | 113.2 | S451 F452 T453 G459 | S451-R455 WeakPolarHBondContact O-CB 3.4Å; S451-R455 WeakPolarHBondContact O-CG 3.36Å; S451-R455 PolarHBondContact O-N 3.25Å; S451-R455 PolarHBondContact O-NE 3.02Å; F452-R455 PolarHBondContact O-N 3.47Å; T453-R455 VanDerWaalsContact C-N 3.33Å; T453-R455 PolarHBondContact O-N 3.14Å; R455-G459 WeakPolarHBondContact O-CA 3.3Å |
| 456 | N | 97.3 | Very high | 94.4 | Very high | 77 Ų | 77 | 53.2 Ų | 53.2 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -95.3 | -24.8 | -166.5 | -62 | -66.3 | 0 | 0 | 0 | 113.5 | F452 P460 | F452-N456 HydrophobicContact CD1-CB 4.49Å; F452-N456 WeakPolarHBondContact CD2-ND2 2.92Å; F452-N456 HydrophobicContact CE1-CB 4.15Å; F452-N456 HydrophobicContact CE2-CB 4.48Å; F452-N456 WeakPolarHBondContact CE2-ND2 3.31Å; F452-N456 HydrophobicContact CZ-CB 4.14Å; F452-N456 WeakPolarHBondContact O-CB 3.48Å; F452-N456 PolarHBondContact O-N 3.4Å; F452-N456 PolarHBondContact O-ND2 3.48Å; N456-P460 WeakPolarHBondContact O-CD 3.27Å; N456-P460 WeakPolarHBondContact O-CG 3.29Å |
| 457 | V | 97.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -105.7 | -49.9 | -176.4 | -179.2 | 0 | 0 | 0 | 0 | 111 | A369 A407 V409 T417 F421 T453 | A369-V457 HydrophobicContact CB-CG1 4.27Å; A407-V457 HydrophobicContact CB-CG1 3.49Å; A407-V457 VanDerWaalsContact CB-CG1 3.49Å; V409-V457 HydrophobicContact CG2-CG2 3.59Å; T417-V457 HydrophobicContact CG2-CG2 4.48Å; F421-V457 HydrophobicContact CD2-CG1 3.83Å; F421-V457 WeakPolarHBondContact CD2-O 3.29Å; F421-V457 HydrophobicContact CE2-CG1 3.49Å; F421-V457 VanDerWaalsContact CE2-CG1 3.49Å; F421-V457 HydrophobicContact CZ-CG1 4.1Å; T453-V457 HydrophobicContact CG2-CB 4.07Å; T453-V457 HydrophobicContact CG2-CG2 4.31Å; T453-V457 WeakPolarHBondContact O-CA 3.28Å; T453-V457 VanDerWaalsContact O-CB 3.29Å; T453-V457 WeakPolarHBondContact O-CB 3.34Å; T453-V457 PolarHBondContact O-N 3.16Å |
| 458 | F | 97.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -82.2 | -28.7 | 176.4 | -70.3 | -74.2 | 0 | 0 | 0 | 113.5 | A369 F421 T453 I461 R462 N468 F469 L470 I494 | A369-F458 HydrophobicContact CB-CE1 4.45Å; A369-F458 HydrophobicContact CB-CE2 3.61Å; A369-F458 HydrophobicContact CB-CZ 3.49Å; A369-F458 VanDerWaalsContact CB-CZ 3.49Å; F421-F458 AromaticContact CE2-CD1 3.75Å; F421-F458 HydrophobicContact CE2-CD1 3.75Å; F421-F458 AromaticContact CE2-CE1 3.73Å; F421-F458 HydrophobicContact CE2-CE1 3.73Å; F421-F458 HydrophobicContact CE2-CG 4.36Å; F421-F458 HydrophobicContact CE2-CZ 4.35Å; F421-F458 HydrophobicContact CZ-CD1 4.06Å; F421-F458 AromaticContact CZ-CE1 3.54Å; F421-F458 HydrophobicContact CZ-CE1 3.54Å; F421-F458 AromaticContact CZ-CZ 3.95Å; F421-F458 HydrophobicContact CZ-CZ 3.95Å; T453-F458 HydrophobicContact CG2-CD2 4.05Å; T453-F458 HydrophobicContact CG2-CE2 3.88Å; T453-F458 PolarHBondContact O-N 3.24Å; T453-F458 VanDerWaalsContact O-N 3.09Å; F458-I461 HydrophobicContact CD1-CD1 4.09Å; F458-I461 CarbonylContact O-C 3.6Å; F458-I461 WeakPolarHBondContact O-CG1 3.41Å; F458-I461 PolarHBondContact O-N 2.86Å; F458-I461 VanDerWaalsContact O-N 3.11Å; F458-R462 PolarHBondContact O-N 2.81Å; F458-N468 HydrophobicContact CD1-CB 3.89Å; F458-N468 HydrophobicContact CE1-CB 3.67Å; F458-F469 WeakPolarHBondContact CZ-O 3.38Å; F458-L470 HydrophobicContact CE2-CB 4.28Å; F458-L470 HydrophobicContact CE2-CD1 4.36Å; F458-L470 HydrophobicContact CZ-CB 4.46Å; F458-I494 HydrophobicContact CB-CD1 3.96Å; F458-I494 HydrophobicContact CD1-CD1 4.37Å; F458-I494 HydrophobicContact CD1-CG1 4.4Å; F458-I494 HydrophobicContact CD2-CD1 3.61Å; F458-I494 HydrophobicContact CD2-CG1 4.35Å; F458-I494 HydrophobicContact CE2-CD1 4.15Å; F458-I494 HydrophobicContact CE2-CG2 4.14Å; F458-I494 HydrophobicContact CG-CD1 3.72Å; F458-I494 HydrophobicContact CG-CG1 4.24Å; F458-I494 HydrophobicContact CZ-CG2 4.15Å |
| 459 | G | 96 | Very high | 94.2 | Very high | 21 Ų | 21 | 53 Ų | 53 | 22% | 0.216 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -51.6 | -49.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V454 R455 I461 R462 | V454-G459 PolarHBondContact O-N 2.94Å; R455-G459 WeakPolarHBondContact O-CA 3.3Å; G459-I461 PolarHBondContact O-N 2.83Å; G459-R462 WeakPolarHBondContact O-CD 3.43Å; G459-R462 VanDerWaalsContact O-CG 3.28Å; G459-R462 WeakPolarHBondContact O-CG 3.3Å; G459-R462 PolarHBondContact O-N 2.87Å |
| 460 | P | 95.1 | Very high | 94.2 | Very high | 103 Ų | 103 | 53 Ų | 53 | 67% | 0.669 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -64.3 | -20.3 | 178.5 | -26 | 35.9 | 0 | 0 | 0 | 115.5 | N456 | N456-P460 WeakPolarHBondContact O-CD 3.27Å; N456-P460 WeakPolarHBondContact O-CG 3.29Å |
| 461 | I | 92.8 | Very high | 94.2 | Very high | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -113.9 | 23.2 | -176.1 | 62 | 146.2 | 0 | 0 | 0 | 113 | N367 F421 F458 G459 E463 S464 | N367-I461 HydrophobicContact CB-CD1 3.84Å; N367-I461 VanDerWaalsContact ND2-CD1 3.32Å; N367-I461 WeakPolarHBondContact ND2-CD1 3.39Å; F421-I461 HydrophobicContact CB-CG2 4.34Å; F421-I461 HydrophobicContact CD2-CD1 3.3Å; F421-I461 HydrophobicContact CD2-CG1 3.76Å; F421-I461 HydrophobicContact CD2-CG2 4.28Å; F421-I461 HydrophobicContact CE2-CD1 3.34Å; F421-I461 HydrophobicContact CE2-CG1 4.01Å; F421-I461 HydrophobicContact CG-CD1 4.06Å; F421-I461 HydrophobicContact CZ-CD1 4.16Å; F458-I461 HydrophobicContact CD1-CD1 4.09Å; F458-I461 CarbonylContact O-C 3.6Å; F458-I461 WeakPolarHBondContact O-CG1 3.41Å; F458-I461 PolarHBondContact O-N 2.86Å; F458-I461 VanDerWaalsContact O-N 3.11Å; G459-I461 PolarHBondContact O-N 2.83Å; I461-E463 PolarHBondContact O-N 2.93Å; I461-E463 VanDerWaalsContact O-N 3.14Å; I461-S464 WeakPolarHBondContact O-CB 3.33Å; I461-S464 PolarHBondContact O-N 2.85Å |
| 462 | R | 86.6 | Confident | 94.2 | Very high | 192 Ų | 192 | 51.3 Ų | 51.3 | 73% | 0.725 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32 | -179.1 | -83.2 | 173.4 | 166.6 | -172.2 | -4.5 | 114.3 | F458 G459 S464 | F458-R462 PolarHBondContact O-N 2.81Å; G459-R462 WeakPolarHBondContact O-CD 3.43Å; G459-R462 VanDerWaalsContact O-CG 3.28Å; G459-R462 WeakPolarHBondContact O-CG 3.3Å; G459-R462 PolarHBondContact O-N 2.87Å; R462-S464 VanDerWaalsContact C-N 3.32Å |
| 463 | E | 83.5 | Confident | 94.2 | Very high | 194 Ų | 194 | 49.4 Ų | 49.4 | 91% | 0.907 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 4 | 179.4 | -60.1 | -175.5 | 171.9 | 0 | 0 | 113.2 | I461 | I461-E463 PolarHBondContact O-N 2.93Å; I461-E463 VanDerWaalsContact O-N 3.14Å |
| 464 | S | 84.9 | Confident | 94.1 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | trans | -61 | 133.9 | 178.5 | -175 | 0 | 0 | 0 | 0 | 110.8 | N367 I461 R462 N466 | N367-S464 WeakPolarHBondContact ND2-CB 3.45Å; N367-S464 PolarHBondContact ND2-OG 3.33Å; I461-S464 WeakPolarHBondContact O-CB 3.33Å; I461-S464 PolarHBondContact O-N 2.85Å; R462-S464 VanDerWaalsContact C-N 3.32Å; S464-N466 PolarHBondContact O-N 2.85Å; S464-N466 PolarHBondContact OG-N 2.76Å | ||
| 465 | P | 80.4 | Confident | 93.9 | Very high | 93 Ų | 93 | 48.8 Ų | 48.8 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -74.2 | -4.9 | 175.1 | 32.3 | -36.9 | 0 | 0 | 0 | 113 | ||
| 466 | N | 88.8 | Confident | 93.2 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -82.7 | 151.2 | 179 | -74.7 | -2.4 | 0 | 0 | 0 | 111.1 | S365 N367 G403 S464 | S365-N466 VanDerWaalsContact C-CG 3.48Å; S365-N466 WeakPolarHBondContact CA-OD1 3.22Å; S365-N466 WeakPolarHBondContact O-CA 3.41Å; N367-N466 WeakPolarHBondContact ND2-CB 3.49Å; N367-N466 WeakPolarHBondContact OD1-CB 3.49Å; N367-N466 PolarHBondContact OD1-ND2 3Å; N367-N466 VanDerWaalsContact OD1-ND2 3.12Å; G403-N466 PolarHBondContact O-ND2 3.46Å; S464-N466 PolarHBondContact O-N 2.85Å; S464-N466 PolarHBondContact OG-N 2.76Å |
| 467 | K | 92.5 | Very high | 92.9 | Very high | 65 Ų | 65 | 44 Ų | 44 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.4 | 176.3 | -167.6 | 71.9 | 174.7 | 179.8 | 0 | 110.5 | S365 V366 N367 F469 F545 | S365-K467 PolarHBondContact O-N 2.93Å; V366-K467 CarbonylContact C-O 3.59Å; V366-K467 VanDerWaalsContact CA-O 3.3Å; V366-K467 WeakPolarHBondContact CA-O 3.42Å; N367-K467 PolarHBondContact N-O 3.03Å; K467-F469 HydrophobicContact CB-CE2 3.76Å; K467-F469 HydrophobicContact CB-CZ 4.37Å; K467-F469 HydrophobicContact CG-CD2 4.44Å; K467-F469 HydrophobicContact CG-CE2 3.6Å; K467-F469 HydrophobicContact CG-CZ 3.76Å; K467-F469 WeakPolarHBondContact O-CD2 3.28Å; K467-F545 HydrophobicContact CB-CD2 4.02Å |
| 468 | N | 97.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.2 | -174.9 | -66 | -31.4 | 0 | 0 | 0 | 112 | N367 F458 I494 T495 | N367-N468 WeakPolarHBondContact CB-OD1 3.46Å; N367-N468 PolarHBondContact ND2-OD1 3.08Å; F458-N468 HydrophobicContact CD1-CB 3.89Å; F458-N468 HydrophobicContact CE1-CB 3.67Å; N468-I494 HydrophobicContact CB-CG1 4.05Å; N468-T495 PolarHBondContact O-N 3.41Å |
| 469 | F | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.9 | 178.3 | -64.8 | -85.3 | 0 | 0 | 0 | 110.8 | V366 N367 I368 A369 F458 K467 T495 F497 I541 D544 F545 | V366-F469 HydrophobicContact CB-CD2 3.99Å; V366-F469 HydrophobicContact CB-CE2 4.05Å; V366-F469 HydrophobicContact CG1-CD2 4.08Å; V366-F469 HydrophobicContact CG1-CE2 3.61Å; N367-F469 PolarHBondContact O-N 3.31Å; I368-F469 WeakPolarHBondContact CA-O 3.36Å; I368-F469 HydrophobicContact CG1-CB 4.28Å; A369-F469 PolarHBondContact N-O 3.45Å; F458-F469 WeakPolarHBondContact CZ-O 3.38Å; K467-F469 HydrophobicContact CB-CE2 3.76Å; K467-F469 HydrophobicContact CB-CZ 4.37Å; K467-F469 HydrophobicContact CG-CD2 4.44Å; K467-F469 HydrophobicContact CG-CE2 3.6Å; K467-F469 HydrophobicContact CG-CZ 3.76Å; K467-F469 WeakPolarHBondContact O-CD2 3.28Å; F469-T495 CarbonylContact C-O 3.52Å; F469-T495 VanDerWaalsContact CA-O 3.29Å; F469-T495 WeakPolarHBondContact CA-O 3.28Å; F469-T495 HydrophobicContact CD1-CG2 3.97Å; F469-T495 HydrophobicContact CE1-CG2 3.95Å; F469-F497 HydrophobicContact CD1-CD2 4.33Å; F469-F497 AromaticContact CD1-CE2 3.75Å; F469-F497 HydrophobicContact CD1-CE2 3.75Å; F469-F497 HydrophobicContact CE1-CE2 4.12Å; F469-I541 HydrophobicContact CD1-CB 4.49Å; F469-I541 HydrophobicContact CD1-CG1 4.09Å; F469-I541 HydrophobicContact CD1-CG2 4.27Å; F469-I541 HydrophobicContact CD2-CG2 3.96Å; F469-I541 HydrophobicContact CE1-CB 4.41Å; F469-I541 HydrophobicContact CE1-CG1 4.46Å; F469-I541 HydrophobicContact CE1-CG2 4.16Å; F469-I541 HydrophobicContact CE2-CG2 3.84Å; F469-I541 HydrophobicContact CG-CG1 4.32Å; F469-I541 HydrophobicContact CG-CG2 4.16Å; F469-I541 HydrophobicContact CZ-CG2 3.94Å; F469-I541 WeakPolarHBondContact CZ-O 3.42Å; F469-D544 HydrophobicContact CE1-CB 3.98Å; F469-D544 HydrophobicContact CZ-CB 4.37Å; F469-F545 HydrophobicContact CZ-CB 4.3Å |
| 470 | L | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.6 | 173.9 | 176.5 | 61.4 | 0 | 0 | 0 | 108.7 | A369 L371 I450 T453 F458 I472 I494 T495 I496 F497 | A369-L470 HydrophobicContact CB-CD1 4Å; A369-L470 WeakPolarHBondContact O-CA 3.2Å; A369-L470 WeakPolarHBondContact O-CD1 3.44Å; L371-L470 HydrophobicContact CB-CD1 3.9Å; I450-L470 HydrophobicContact CG2-CD2 4.47Å; T453-L470 HydrophobicContact CG2-CD1 3.87Å; F458-L470 HydrophobicContact CE2-CB 4.28Å; F458-L470 HydrophobicContact CE2-CD1 4.36Å; F458-L470 HydrophobicContact CZ-CB 4.46Å; L470-I472 HydrophobicContact CD2-CD1 4.23Å; L470-I472 HydrophobicContact CD2-CG1 4.19Å; L470-I472 HydrophobicContact CG-CG1 3.96Å; L470-I494 HydrophobicContact CB-CG2 3.71Å; L470-T495 PolarHBondContact N-O 3.43Å; L470-I496 HydrophobicContact CB-CG1 4.22Å; L470-I496 HydrophobicContact CD2-CD1 4.11Å; L470-I496 HydrophobicContact CD2-CG1 4.25Å; L470-I496 CarbonylContact O-C 3.52Å; L470-I496 WeakPolarHBondContact O-CA 3.37Å; L470-F497 PolarHBondContact O-N 3.44Å |
| 471 | V | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 111.2 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | I368 A369 F370 L371 F389 V473 F497 V499 V537 I541 | I368-V471 HydrophobicContact CG2-CG2 4Å; A369-V471 PolarHBondContact O-N 3.17Å; F370-V471 CarbonylContact C-O 3.19Å; F370-V471 WeakPolarHBondContact CA-O 3.32Å; F370-V471 HydrophobicContact CD1-CB 3.74Å; F370-V471 HydrophobicContact CD1-CG1 4.06Å; F370-V471 HydrophobicContact CD1-CG2 4.4Å; F370-V471 HydrophobicContact CE1-CB 3.94Å; F370-V471 HydrophobicContact CE1-CG1 4.15Å; F370-V471 HydrophobicContact CE1-CG2 4.15Å; L371-V471 PolarHBondContact N-O 2.94Å; F389-V471 HydrophobicContact CE1-CG1 4.37Å; V471-V473 HydrophobicContact CG1-CG2 4.34Å; V471-F497 CarbonylContact C-O 3.59Å; V471-F497 WeakPolarHBondContact CA-O 3.4Å; V471-F497 HydrophobicContact CG2-CB 4.35Å; V471-V499 HydrophobicContact CG1-CG2 4.48Å; V471-V537 HydrophobicContact CG2-CG1 4.21Å; V471-I541 HydrophobicContact CG2-CD1 4.36Å |
| 472 | I | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.8 | 179.2 | -50.7 | 178.7 | 0 | 0 | 0 | 108.5 | L371 T446 I450 L470 I496 F497 V499 M512 | L371-I472 HydrophobicContact CB-CG1 4.21Å; L371-I472 HydrophobicContact CB-CG2 4.49Å; L371-I472 HydrophobicContact CD2-CD1 4.39Å; L371-I472 HydrophobicContact CD2-CG1 4.18Å; L371-I472 HydrophobicContact CD2-CG2 4.41Å; L371-I472 WeakPolarHBondContact O-CA 3.41Å; T446-I472 HydrophobicContact CG2-CG2 4.08Å; I450-I472 HydrophobicContact CD1-CD1 3.78Å; I450-I472 HydrophobicContact CG1-CD1 3.77Å; L470-I472 HydrophobicContact CD2-CD1 4.23Å; L470-I472 HydrophobicContact CD2-CG1 4.19Å; L470-I472 HydrophobicContact CG-CG1 3.96Å; I472-I496 HydrophobicContact CD1-CG2 3.61Å; I472-I496 HydrophobicContact CG1-CG2 4.02Å; I472-F497 PolarHBondContact N-O 3.04Å; I472-V499 PolarHBondContact O-N 3.1Å; I472-M512 HydrophobicContact CD1-CB 4.31Å; I472-M512 HydrophobicContact CD1-SD 4.04Å |
| 473 | V | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.7 | 176 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | L371 D373 M386 F389 V471 V499 | L371-V473 PolarHBondContact O-N 3.42Å; D373-V473 WeakPolarHBondContact CB-O 3.44Å; D373-V473 PolarHBondContact N-O 3.38Å; M386-V473 HydrophobicContact CE-CG1 4.01Å; M386-V473 HydrophobicContact CG-CG1 4.04Å; M386-V473 HydrophobicContact SD-CG1 4.02Å; F389-V473 HydrophobicContact CD1-CG2 3.88Å; F389-V473 HydrophobicContact CE1-CG2 3.62Å; V471-V473 HydrophobicContact CG1-CG2 4.34Å; V473-V499 WeakPolarHBondContact CA-O 3.21Å; V473-V499 HydrophobicContact CG2-CB 4.38Å |
| 474 | T | 97.3 | Very high | 94 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 153.5 | -176.3 | -179 | 0 | 0 | 0 | 0 | 112.2 | D373 G476 V499 G500 V501 L509 | D373-T474 WeakPolarHBondContact OD2-CA 3.47Å; D373-T474 WeakPolarHBondContact OD2-CB 3.31Å; D373-T474 PolarHBondContact OD2-OG1 3.37Å; T474-G476 PolarHBondContact OG1-O 2.97Å; T474-V499 PolarHBondContact N-O 3.47Å; T474-G500 CarbonylContact O-C 3.45Å; T474-G500 WeakPolarHBondContact O-CA 3.4Å; T474-V501 PolarHBondContact O-N 3.16Å; T474-L509 HydrophobicContact CG2-CD2 4.04Å |
| 475 | D | 92.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -109.3 | -0.4 | 179.5 | 88 | -39.3 | 0 | 0 | 0 | 114.9 | D373 S377 V378 M386 V501 W503 A504 F527 | D373-D475 PolarHBondContact OD2-N 2.84Å; S377-D475 WeakPolarHBondContact CB-OD2 3.43Å; S377-D475 PolarHBondContact OG-OD1 3.26Å; S377-D475 PolarHBondContact OG-OD2 3.08Å; V378-D475 WeakPolarHBondContact CA-OD2 3.29Å; V378-D475 HydrophobicContact CG2-CB 4.04Å; V378-D475 VanDerWaalsContact CG2-CG 3.48Å; V378-D475 WeakPolarHBondContact CG2-OD1 3.32Å; V378-D475 PolarHBondContact N-OD2 3.28Å; V378-D475 VanDerWaalsContact N-OD2 3.16Å; M386-D475 HydrophobicContact CE-CB 4.11Å; D475-V501 CarbonylContact C-O 3.57Å; D475-V501 VanDerWaalsContact CA-O 3.28Å; D475-V501 WeakPolarHBondContact CA-O 3.27Å; D475-V501 HydrophobicContact CB-CB 4.5Å; D475-V501 VanDerWaalsContact O-O 3.09Å; D475-W503 CarbonylContact O-C 3.56Å; D475-W503 PolarHBondContact O-N 3.12Å; D475-A504 PolarHBondContact O-N 3.41Å; D475-F527 HydrophobicContact CB-CE1 4.37Å; D475-F527 HydrophobicContact CB-CE2 4.48Å; D475-F527 HydrophobicContact CB-CZ 3.65Å |
| 476 | G | 84.6 | Confident | 95.5 | Very high | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -151.2 | 177.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T474 | T474-G476 PolarHBondContact OG1-O 2.97Š|
| 477 | Q | 90.8 | Very high | 96 | Very high | 131 Ų | 131 | 37.2 Ų | 37.2 | 61% | 0.612 | 20% | 0.198 | S | C | * | . | trans | -75.2 | 141.1 | 175.2 | -178 | 170.1 | 21.5 | 0 | 0 | 110.5 | P505 | Q477-P505 HydrophobicContact CB-CG 3.71Å; Q477-P505 HydrophobicContact CG-CG 4.05Å | ||
| 478 | S | 93.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | trans | -74.3 | 144.8 | 173.8 | -151.8 | 0 | 0 | 0 | 0 | 112 | T444 T446 D480 | T444-S478 CarbonylContact O-C 3.01Å; T444-S478 WeakPolarHBondContact O-CA 3.45Å; T444-S478 PolarHBondContact O-OG 2.72Å; T446-S478 WeakPolarHBondContact CB-OG 3.49Å; T446-S478 PolarHBondContact N-OG 3.33Å; T446-S478 PolarHBondContact OG1-OG 2.96Å; S478-D480 VanDerWaalsContact C-N 3.31Å; S478-D480 PolarHBondContact OG-OD1 3.34Å | ||
| 479 | Y | 94.1 | Very high | 96.3 | Very high | 170 Ų | 170 | 35.7 Ų | 35.7 | 67% | 0.667 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -82.8 | -8.4 | 173.5 | -68.2 | -73.1 | 0 | 0 | 0 | 113.6 | Y413 T444 | Y413-Y479 HydrophobicContact CE1-CD2 4.04Å; T444-Y479 WeakPolarHBondContact O-CD2 3.42Å; T444-Y479 PolarHBondContact O-N 2.83Å |
| 480 | D | 96.2 | Very high | 96.2 | Very high | 45 Ų | 45 | 38.4 Ų | 38.4 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -125.8 | 171.8 | -177.6 | 64.8 | -8.9 | 0 | 0 | 0 | 112.1 | T446 G447 D448 S478 V482 | T446-D480 PolarHBondContact N-OD1 3.08Å; G447-D480 WeakPolarHBondContact CA-OD2 3.45Å; G447-D480 PolarHBondContact N-OD1 2.89Å; G447-D480 PolarHBondContact N-OD2 2.99Å; D448-D480 PolarHBondContact N-OD2 3.4Å; S478-D480 VanDerWaalsContact C-N 3.31Å; S478-D480 PolarHBondContact OG-OD1 3.34Å; D480-V482 PolarHBondContact O-N 3.28Å |
| 481 | D | 96.5 | Very high | 96.1 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | trans | -69.7 | 127.2 | 176.7 | 173.6 | 52.3 | 0 | 0 | 0 | 111.3 | G447 Q483 G484 P485 | G447-D481 VanDerWaalsContact CA-O 3.28Å; G447-D481 WeakPolarHBondContact CA-O 3.44Å; D481-Q483 PolarHBondContact OD1-N 3.23Å; D481-Q483 VanDerWaalsContact OD1-N 3.08Å; D481-G484 PolarHBondContact OD2-N 3.05Å; D481-P485 WeakPolarHBondContact O-CD 3.37Å; D481-P485 WeakPolarHBondContact O-CG 3.35Å | ||
| 482 | V | 96.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | trans | -99 | -20.2 | 176.3 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | D480 A486 D511 M512 | D480-V482 PolarHBondContact O-N 3.28Å; V482-A486 WeakPolarHBondContact O-CB 3.48Å; V482-A486 PolarHBondContact O-N 2.94Å; V482-A486 VanDerWaalsContact O-N 3.08Å; V482-D511 HydrophobicContact CG2-CB 4.31Å; V482-M512 HydrophobicContact CB-CG 3.65Å; V482-M512 HydrophobicContact CB-SD 4.03Å; V482-M512 HydrophobicContact CG1-CG 4.33Å; V482-M512 HydrophobicContact CG1-SD 4.05Å; V482-M512 HydrophobicContact CG2-CG 3.85Å | ||
| 483 | Q | 97.3 | Very high | 95.7 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.3 | -48.8 | -172.3 | -69.5 | -178.4 | 8.5 | 0 | 0 | 112 | D481 A486 A487 D511 | D481-Q483 PolarHBondContact OD1-N 3.23Å; D481-Q483 VanDerWaalsContact OD1-N 3.08Å; Q483-A486 PolarHBondContact O-N 3.46Å; Q483-A487 WeakPolarHBondContact O-CB 3.14Å; Q483-A487 PolarHBondContact O-N 2.98Å; Q483-D511 HydrophobicContact CG-CB 3.9Å; Q483-D511 PolarHBondContact NE2-OD2 3.3Å |
| 484 | G | 98 | Very high | 95.7 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -52.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D481 A486 A487 A488 | D481-G484 PolarHBondContact OD2-N 3.05Å; G484-A486 PolarHBondContact O-N 3.25Å; G484-A487 PolarHBondContact O-N 3.18Å; G484-A488 PolarHBondContact O-N 2.9Å |
| 485 | P | 98.5 | Very high | 95.8 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 175.3 | -30.6 | 39.3 | 0 | 0 | 0 | 114.1 | G447 I450 S451 D481 A488 A489 | G447-P485 WeakPolarHBondContact O-CB 3.43Å; G447-P485 WeakPolarHBondContact O-CG 3.34Å; I450-P485 HydrophobicContact CB-CB 3.93Å; I450-P485 HydrophobicContact CG2-CB 3.93Å; I450-P485 WeakPolarHBondContact CG2-O 3.44Å; S451-P485 WeakPolarHBondContact OG-CB 3.32Å; D481-P485 WeakPolarHBondContact O-CD 3.37Å; D481-P485 WeakPolarHBondContact O-CG 3.35Å; P485-A488 PolarHBondContact O-N 2.98Å; P485-A489 PolarHBondContact O-N 3.1Å |
| 486 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I450 V482 Q483 G484 A488 A489 H490 I496 M512 | I450-A486 HydrophobicContact CD1-CB 4.47Å; V482-A486 WeakPolarHBondContact O-CB 3.48Å; V482-A486 PolarHBondContact O-N 2.94Å; V482-A486 VanDerWaalsContact O-N 3.08Å; Q483-A486 PolarHBondContact O-N 3.46Å; G484-A486 PolarHBondContact O-N 3.25Å; A486-A488 VanDerWaalsContact C-N 3.34Å; A486-A488 PolarHBondContact O-N 3.17Å; A486-A489 WeakPolarHBondContact O-CB 3.44Å; A486-A489 PolarHBondContact O-N 3.07Å; A486-A489 VanDerWaalsContact O-N 3.16Å; A486-H490 PolarHBondContact O-CD2 2.79Å; A486-H490 VanDerWaalsContact O-CD2 3.3Å; A486-H490 PolarHBondContact O-CE1 3.14Å; A486-H490 PolarHBondContact O-N 2.9Å; A486-H490 PolarHBondContact O-ND1 2.85Å; A486-H490 PolarHBondContact O-NE2 3.09Å; A486-I496 HydrophobicContact CB-CD1 4.33Å; A486-M512 HydrophobicContact CB-CB 4.45Å |
| 487 | A | 98.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q483 G484 A489 H490 D491 | Q483-A487 WeakPolarHBondContact O-CB 3.14Å; Q483-A487 PolarHBondContact O-N 2.98Å; G484-A487 PolarHBondContact O-N 3.18Å; A487-A489 VanDerWaalsContact C-N 3.29Å; A487-A489 PolarHBondContact O-N 2.9Å; A487-H490 WeakPolarHBondContact O-CB 3.42Å; A487-H490 PolarHBondContact O-N 2.85Å; A487-H490 VanDerWaalsContact O-N 3.15Å; A487-D491 PolarHBondContact O-N 3.49Å |
| 488 | A | 97.9 | Very high | 97.1 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -35.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G484 P485 A486 A492 | G484-A488 PolarHBondContact O-N 2.9Å; P485-A488 PolarHBondContact O-N 2.98Å; A486-A488 VanDerWaalsContact C-N 3.34Å; A486-A488 PolarHBondContact O-N 3.17Å; A488-A492 PolarHBondContact O-N 3.46Å; A488-A492 VanDerWaalsContact O-N 3.12Å |
| 489 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | I450 V454 P485 A486 A487 D491 A492 G493 I494 I496 | I450-A489 HydrophobicContact CG2-CB 4.04Å; V454-A489 HydrophobicContact CG2-CB 3.56Å; P485-A489 PolarHBondContact O-N 3.1Å; A486-A489 WeakPolarHBondContact O-CB 3.44Å; A486-A489 PolarHBondContact O-N 3.07Å; A486-A489 VanDerWaalsContact O-N 3.16Å; A487-A489 VanDerWaalsContact C-N 3.29Å; A487-A489 PolarHBondContact O-N 2.9Å; A489-D491 VanDerWaalsContact C-N 3.35Å; A489-A492 WeakPolarHBondContact O-CB 3.39Å; A489-A492 PolarHBondContact O-N 3.27Å; A489-G493 PolarHBondContact O-N 3.47Å; A489-I494 HydrophobicContact CB-CD1 4.49Å; A489-I494 WeakPolarHBondContact O-CB 3.4Å; A489-I494 PolarHBondContact O-N 2.97Å; A489-I494 VanDerWaalsContact O-N 3.11Å; A489-I496 HydrophobicContact CB-CD1 3.78Å |
| 490 | H | 96.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.5 | -56.8 | 153.2 | 0 | 0 | 0 | 111.2 | A486 A487 A492 G493 M512 S514 | A486-H490 PolarHBondContact O-CD2 2.79Å; A486-H490 VanDerWaalsContact O-CD2 3.3Å; A486-H490 PolarHBondContact O-CE1 3.14Å; A486-H490 PolarHBondContact O-N 2.9Å; A486-H490 PolarHBondContact O-ND1 2.85Å; A486-H490 PolarHBondContact O-NE2 3.09Å; A487-H490 WeakPolarHBondContact O-CB 3.42Å; A487-H490 PolarHBondContact O-N 2.85Å; A487-H490 VanDerWaalsContact O-N 3.15Å; H490-A492 PolarHBondContact O-N 2.88Å; H490-G493 WeakPolarHBondContact O-CA 3.34Å; H490-G493 PolarHBondContact O-N 3.02Å; H490-M512 PolarHBondContact CE1-O 2.89Å; H490-M512 PolarHBondContact NE2-O 2.96Å; H490-S514 PolarHBondContact CD2-OG 3.31Å; H490-S514 PolarHBondContact NE2-OG 3.36Å |
| 491 | D | 95.7 | Very high | 97.5 | Very high | 145 Ų | 145 | 32.4 Ų | 32.4 | 78% | 0.775 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.4 | -28.7 | 176.4 | -71.7 | -17.9 | 0 | 0 | 0 | 112.3 | A487 A489 G493 | A487-D491 PolarHBondContact O-N 3.49Å; A489-D491 VanDerWaalsContact C-N 3.35Å; D491-G493 PolarHBondContact O-N 3.28Å |
| 492 | A | 95.7 | Very high | 97.4 | Very high | 51 Ų | 51 | 29 Ų | 29 | 42% | 0.421 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 5.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V454 A488 A489 H490 I494 | V454-A492 HydrophobicContact CG1-CB 4.42Å; A488-A492 PolarHBondContact O-N 3.46Å; A488-A492 VanDerWaalsContact O-N 3.12Å; A489-A492 WeakPolarHBondContact O-CB 3.39Å; A489-A492 PolarHBondContact O-N 3.27Å; H490-A492 PolarHBondContact O-N 2.88Å; A492-I494 HydrophobicContact CB-CD1 4.15Å; A492-I494 HydrophobicContact CB-CG1 4.46Å |
| 493 | G | 95.1 | Very high | 97 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 18.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A489 H490 D491 | A489-G493 PolarHBondContact O-N 3.47Å; H490-G493 WeakPolarHBondContact O-CA 3.34Å; H490-G493 PolarHBondContact O-N 3.02Å; D491-G493 PolarHBondContact O-N 3.28Å |
| 494 | I | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -93.4 | 125.6 | 179.2 | -57.4 | 161.2 | 0 | 0 | 0 | 109 | V454 F458 N468 L470 A489 A492 | V454-I494 HydrophobicContact CB-CD1 4.45Å; V454-I494 HydrophobicContact CG1-CD1 4.27Å; V454-I494 HydrophobicContact CG2-CD1 3.86Å; F458-I494 HydrophobicContact CB-CD1 3.96Å; F458-I494 HydrophobicContact CD1-CD1 4.37Å; F458-I494 HydrophobicContact CD1-CG1 4.4Å; F458-I494 HydrophobicContact CD2-CD1 3.61Å; F458-I494 HydrophobicContact CD2-CG1 4.35Å; F458-I494 HydrophobicContact CE2-CD1 4.15Å; F458-I494 HydrophobicContact CE2-CG2 4.14Å; F458-I494 HydrophobicContact CG-CD1 3.72Å; F458-I494 HydrophobicContact CG-CG1 4.24Å; F458-I494 HydrophobicContact CZ-CG2 4.15Å; N468-I494 HydrophobicContact CB-CG1 4.05Å; L470-I494 HydrophobicContact CB-CG2 3.71Å; A489-I494 HydrophobicContact CB-CD1 4.49Å; A489-I494 WeakPolarHBondContact O-CB 3.4Å; A489-I494 PolarHBondContact O-N 2.97Å; A489-I494 VanDerWaalsContact O-N 3.11Å; A492-I494 HydrophobicContact CB-CD1 4.15Å; A492-I494 HydrophobicContact CB-CG1 4.46Å |
| 495 | T | 98.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.9 | 175.1 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | N468 F469 L470 F497 S514 | N468-T495 PolarHBondContact O-N 3.41Å; F469-T495 CarbonylContact C-O 3.52Å; F469-T495 VanDerWaalsContact CA-O 3.29Å; F469-T495 WeakPolarHBondContact CA-O 3.28Å; F469-T495 HydrophobicContact CD1-CG2 3.97Å; F469-T495 HydrophobicContact CE1-CG2 3.95Å; L470-T495 PolarHBondContact N-O 3.43Å; T495-F497 HydrophobicContact CG2-CE2 4.02Å; T495-S514 WeakPolarHBondContact CA-OG 3.45Å |
| 496 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.5 | -175.4 | -56.4 | -171.9 | 0 | 0 | 0 | 110.7 | L470 I472 A486 A489 M512 S514 | L470-I496 HydrophobicContact CB-CG1 4.22Å; L470-I496 HydrophobicContact CD2-CD1 4.11Å; L470-I496 HydrophobicContact CD2-CG1 4.25Å; L470-I496 CarbonylContact O-C 3.52Å; L470-I496 WeakPolarHBondContact O-CA 3.37Å; I472-I496 HydrophobicContact CD1-CG2 3.61Å; I472-I496 HydrophobicContact CG1-CG2 4.02Å; A486-I496 HydrophobicContact CB-CD1 4.33Å; A489-I496 HydrophobicContact CB-CD1 3.78Å; I496-M512 WeakPolarHBondContact CB-O 3.35Å; I496-M512 WeakPolarHBondContact CG2-O 3.5Å; I496-S514 PolarHBondContact N-OG 3.4Å; I496-S514 PolarHBondContact O-N 3.26Å |
| 497 | F | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.1 | 163.6 | -69.6 | -89.1 | 0 | 0 | 0 | 108.8 | F469 L470 V471 I472 T495 H520 F522 V537 I541 | F469-F497 HydrophobicContact CD1-CD2 4.33Å; F469-F497 AromaticContact CD1-CE2 3.75Å; F469-F497 HydrophobicContact CD1-CE2 3.75Å; F469-F497 HydrophobicContact CE1-CE2 4.12Å; L470-F497 PolarHBondContact O-N 3.44Å; V471-F497 CarbonylContact C-O 3.59Å; V471-F497 WeakPolarHBondContact CA-O 3.4Å; V471-F497 HydrophobicContact CG2-CB 4.35Å; I472-F497 PolarHBondContact N-O 3.04Å; T495-F497 HydrophobicContact CG2-CE2 4.02Å; F497-H520 CarbonylContact C-O 3.6Å; F497-H520 WeakPolarHBondContact CA-O 3.39Å; F497-H520 HydrophobicContact CD1-CB 4.3Å; F497-H520 AromaticContact CD1-CD2 3.47Å; F497-H520 VanDerWaalsContact CD1-CD2 3.47Å; F497-H520 WeakPolarHBondContact CD1-CD2 3.42Å; F497-H520 AromaticContact CE1-CD2 3.11Å; F497-H520 WeakPolarHBondContact CE1-CD2 3.38Å; F497-H520 AromaticContact CE1-CG 3.9Å; F497-H520 AromaticContact CE1-NE2 3.46Å; F497-H520 WeakPolarHBondContact CE1-NE2 3.27Å; F497-H520 AromaticContact CE2-CD2 3.74Å; F497-H520 AromaticContact CE2-NE2 3.89Å; F497-H520 AromaticContact CG-CD2 3.96Å; F497-H520 AromaticContact CZ-CD2 3.24Å; F497-H520 WeakPolarHBondContact CZ-CD2 3.46Å; F497-H520 AromaticContact CZ-NE2 3.22Å; F497-H520 WeakPolarHBondContact CZ-NE2 3.35Å; F497-F522 AromaticContact CD1-CE2 3.86Å; F497-F522 HydrophobicContact CD1-CE2 3.86Å; F497-V537 HydrophobicContact CG-CG1 4.46Å; F497-I541 HydrophobicContact CD2-CG1 3.95Å; F497-I541 HydrophobicContact CE2-CB 4.43Å; F497-I541 HydrophobicContact CE2-CG1 3.53Å; F497-I541 HydrophobicContact CZ-CG1 4.06Å |
| 498 | S | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.6 | 178.3 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | L509 H520 A521 F522 | S498-L509 PolarHBondContact OG-O 2.93Å; S498-H520 PolarHBondContact N-O 3.16Å; S498-A521 CarbonylContact O-C 3.55Å; S498-A521 WeakPolarHBondContact O-CA 3.46Å; S498-A521 WeakPolarHBondContact OG-CA 3.2Å; S498-F522 PolarHBondContact O-N 3.41Å |
| 499 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 108 | -179.1 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | F389 V471 I472 V473 T474 F522 L530 I533 V537 | F389-V499 HydrophobicContact CE1-CG2 4.26Å; F389-V499 HydrophobicContact CZ-CB 4.47Å; F389-V499 HydrophobicContact CZ-CG1 4.19Å; F389-V499 HydrophobicContact CZ-CG2 3.91Å; V471-V499 HydrophobicContact CG1-CG2 4.48Å; I472-V499 PolarHBondContact O-N 3.1Å; V473-V499 WeakPolarHBondContact CA-O 3.21Å; V473-V499 HydrophobicContact CG2-CB 4.38Å; T474-V499 PolarHBondContact N-O 3.47Å; V499-F522 WeakPolarHBondContact CA-O 3.01Å; V499-F522 HydrophobicContact CG1-CB 4.5Å; V499-F522 HydrophobicContact CG2-CB 4.4Å; V499-F522 HydrophobicContact CG2-CD2 4.13Å; V499-L530 HydrophobicContact CG1-CD2 3.55Å; V499-I533 HydrophobicContact CG1-CD1 4.3Å; V499-I533 HydrophobicContact CG1-CG2 4.2Å; V499-I533 HydrophobicContact CG2-CG2 4.35Å; V499-V537 HydrophobicContact CG2-CG2 4.18Å |
| 500 | G | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 144.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T474 F522 F523 T524 | T474-G500 CarbonylContact O-C 3.45Å; T474-G500 WeakPolarHBondContact O-CA 3.4Å; G500-F522 PolarHBondContact N-O 2.6Å; G500-F523 WeakPolarHBondContact O-CA 3.29Å; G500-T524 PolarHBondContact O-N 2.66Å |
| 501 | V | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.3 | 175.6 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | T474 D475 W503 A504 T524 F527 L530 | T474-V501 PolarHBondContact O-N 3.16Å; D475-V501 CarbonylContact C-O 3.57Å; D475-V501 VanDerWaalsContact CA-O 3.28Å; D475-V501 WeakPolarHBondContact CA-O 3.27Å; D475-V501 HydrophobicContact CB-CB 4.5Å; D475-V501 VanDerWaalsContact O-O 3.09Å; V501-W503 PolarHBondContact O-N 2.66Å; V501-A504 WeakPolarHBondContact O-CB 3.37Å; V501-A504 PolarHBondContact O-N 3.3Å; V501-A504 VanDerWaalsContact O-N 3.1Å; V501-T524 CarbonylContact C-O 3.52Å; V501-T524 VanDerWaalsContact CA-O 3.28Å; V501-T524 WeakPolarHBondContact CA-O 3.41Å; V501-T524 HydrophobicContact CB-CG2 4.36Å; V501-T524 HydrophobicContact CG1-CG2 4.14Å; V501-T524 HydrophobicContact CG2-CG2 3.94Å; V501-F527 HydrophobicContact CB-CD1 4.39Å; V501-F527 HydrophobicContact CB-CE1 4.22Å; V501-F527 HydrophobicContact CB-CZ 4.34Å; V501-F527 HydrophobicContact CG1-CB 4.25Å; V501-F527 HydrophobicContact CG1-CD1 3.75Å; V501-F527 HydrophobicContact CG1-CD2 3.64Å; V501-F527 HydrophobicContact CG1-CE1 3.93Å; V501-F527 HydrophobicContact CG1-CE2 3.81Å; V501-F527 HydrophobicContact CG1-CG 3.61Å; V501-F527 HydrophobicContact CG1-CZ 3.96Å; V501-F527 HydrophobicContact CG2-CD1 4.48Å; V501-L530 HydrophobicContact CG2-CD1 4.12Å; V501-L530 HydrophobicContact CG2-CD2 3.58Å; V501-L530 HydrophobicContact CG2-CG 3.93Å |
| 502 | A | 93.5 | Very high | 95.8 | Very high | 22 Ų | 22 | 36 Ų | 36 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -97.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F523 T524 R525 F527 | A502-F523 VanDerWaalsContact O-CZ 3.31Å; A502-F523 WeakPolarHBondContact O-CZ 3.32Å; A502-T524 PolarHBondContact N-O 2.88Å; A502-R525 WeakPolarHBondContact CA-O 3.33Å; A502-F527 HydrophobicContact CB-CE2 4.33Å |
| 503 | W | 89.4 | Confident | 95.9 | Very high | 226 Ų | 226 | 33.5 Ų | 33.5 | 86% | 0.856 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 6.1 | -172.3 | -50.3 | 100.2 | 0 | 0 | 0 | 113.1 | D475 V501 P505 | D475-W503 CarbonylContact O-C 3.56Å; D475-W503 PolarHBondContact O-N 3.12Å; V501-W503 PolarHBondContact O-N 2.66Å; W503-P505 WeakPolarHBondContact O-CD 3.34Å |
| 504 | A | 93.6 | Very high | 96 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | trans | -56.9 | 122.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D475 V501 L506 L509 F523 | D475-A504 PolarHBondContact O-N 3.41Å; V501-A504 WeakPolarHBondContact O-CB 3.37Å; V501-A504 PolarHBondContact O-N 3.3Å; V501-A504 VanDerWaalsContact O-N 3.1Å; A504-L506 PolarHBondContact O-N 3.19Å; A504-L509 HydrophobicContact CB-CD1 4.35Å; A504-F523 WeakPolarHBondContact O-CE2 3.47Å | ||
| 505 | P | 93.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 24% | 0.24 | 19% | 0.194 | C | C | . | . | trans | -65.9 | 124.5 | 179.5 | -20.3 | 32.3 | 0 | 0 | 0 | 111.6 | Q477 W503 D507 D508 L509 | Q477-P505 HydrophobicContact CB-CG 3.71Å; Q477-P505 HydrophobicContact CG-CG 4.05Å; W503-P505 WeakPolarHBondContact O-CD 3.34Å; P505-D507 PolarHBondContact O-N 3Å; P505-D508 HydrophobicContact CB-CB 4.14Å; P505-D508 PolarHBondContact O-N 2.93Å; P505-L509 WeakPolarHBondContact O-CG 3.47Å; P505-L509 PolarHBondContact O-N 3.33Å; P505-L509 VanDerWaalsContact O-N 3.16Å | ||
| 506 | L | 92.9 | Very high | 95.8 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.7 | -32.2 | -178.4 | -178.4 | 61.4 | 0 | 0 | 0 | 112.9 | A504 L509 K510 F523 | A504-L506 PolarHBondContact O-N 3.19Å; L506-L509 HydrophobicContact CD1-CD1 4.34Å; L506-L509 PolarHBondContact O-N 2.96Å; L506-K510 HydrophobicContact CG-CD 4.48Å; L506-K510 WeakPolarHBondContact O-CG 3.46Å; L506-K510 PolarHBondContact O-N 3.37Å; L506-F523 HydrophobicContact CD1-CB 4.2Å |
| 507 | D | 92.9 | Very high | 95.6 | Very high | 111 Ų | 111 | 45 Ų | 45 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -70.2 | -41.3 | 179.1 | -67 | -29.2 | 0 | 0 | 0 | 111.2 | P505 L509 K510 D511 | P505-D507 PolarHBondContact O-N 3Å; D507-L509 VanDerWaalsContact C-N 3.32Å; D507-L509 PolarHBondContact O-N 2.78Å; D507-K510 CarbonylContact O-C 3.58Å; D507-K510 WeakPolarHBondContact O-CB 3.21Å; D507-K510 PolarHBondContact O-N 3.48Å; D507-K510 VanDerWaalsContact O-N 3.14Å; D507-D511 WeakPolarHBondContact O-CB 3.35Å; D507-D511 PolarHBondContact O-N 2.85Å |
| 508 | D | 93.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.2 | -65.6 | 10.9 | 0 | 0 | 0 | 111.5 | P505 K510 D511 M512 | P505-D508 HydrophobicContact CB-CB 4.14Å; P505-D508 PolarHBondContact O-N 2.93Å; D508-K510 VanDerWaalsContact C-N 3.34Å; D508-K510 PolarHBondContact O-N 3.22Å; D508-D511 PolarHBondContact O-N 2.87Å; D508-M512 WeakPolarHBondContact O-CE 3.3Å; D508-M512 WeakPolarHBondContact O-CG 3.24Å; D508-M512 PolarHBondContact O-N 2.78Å |
| 509 | L | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 175 | -62 | 171.3 | 0 | 0 | 0 | 110.6 | T474 S498 A504 P505 L506 D507 D511 M512 A513 A521 F523 | T474-L509 HydrophobicContact CG2-CD2 4.04Å; S498-L509 PolarHBondContact OG-O 2.93Å; A504-L509 HydrophobicContact CB-CD1 4.35Å; P505-L509 WeakPolarHBondContact O-CG 3.47Å; P505-L509 PolarHBondContact O-N 3.33Å; P505-L509 VanDerWaalsContact O-N 3.16Å; L506-L509 HydrophobicContact CD1-CD1 4.34Å; L506-L509 PolarHBondContact O-N 2.96Å; D507-L509 VanDerWaalsContact C-N 3.32Å; D507-L509 PolarHBondContact O-N 2.78Å; L509-D511 VanDerWaalsContact C-N 3.3Å; L509-D511 PolarHBondContact O-N 3.21Å; L509-M512 HydrophobicContact CD2-CE 3.99Å; L509-M512 PolarHBondContact O-N 2.53Å; L509-A513 WeakPolarHBondContact O-CB 3.4Å; L509-A513 PolarHBondContact O-N 2.96Å; L509-A521 HydrophobicContact CB-CB 4.19Å; L509-F523 HydrophobicContact CD1-CB 4.39Å; L509-F523 HydrophobicContact CD1-CD2 4.25Å |
| 510 | K | 97 | Very high | 94.9 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 176.6 | -73.7 | 174.4 | 179.8 | 172.7 | 0 | 111.7 | L506 D507 D508 M512 A513 K517 A521 | L506-K510 HydrophobicContact CG-CD 4.48Å; L506-K510 WeakPolarHBondContact O-CG 3.46Å; L506-K510 PolarHBondContact O-N 3.37Å; D507-K510 CarbonylContact O-C 3.58Å; D507-K510 WeakPolarHBondContact O-CB 3.21Å; D507-K510 PolarHBondContact O-N 3.48Å; D507-K510 VanDerWaalsContact O-N 3.14Å; D508-K510 VanDerWaalsContact C-N 3.34Å; D508-K510 PolarHBondContact O-N 3.22Å; K510-M512 VanDerWaalsContact C-N 3.31Å; K510-M512 PolarHBondContact O-N 3.3Å; K510-A513 PolarHBondContact O-N 2.8Å; K510-K517 HydrophobicContact CB-CB 4.4Å; K510-K517 HydrophobicContact CG-CB 4.25Å; K510-K517 WeakPolarHBondContact O-CD 3.43Å; K510-K517 WeakPolarHBondContact O-CE 3.28Å; K510-K517 PolarHBondContact O-NZ 3.05Å; K510-A521 HydrophobicContact CG-CB 3.92Å |
| 511 | D | 95.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 54 Ų | 54 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.6 | -79.4 | -11.3 | 0 | 0 | 0 | 111.4 | V482 Q483 D507 D508 L509 K517 | V482-D511 HydrophobicContact CG2-CB 4.31Å; Q483-D511 HydrophobicContact CG-CB 3.9Å; Q483-D511 PolarHBondContact NE2-OD2 3.3Å; D507-D511 WeakPolarHBondContact O-CB 3.35Å; D507-D511 PolarHBondContact O-N 2.85Å; D508-D511 PolarHBondContact O-N 2.87Å; L509-D511 VanDerWaalsContact C-N 3.3Å; L509-D511 PolarHBondContact O-N 3.21Å; D511-K517 PolarHBondContact O-NZ 3.3Å |
| 512 | M | 97.4 | Very high | 95 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.7 | -41.7 | 176.3 | -66.7 | -177.2 | -72.1 | 0 | 0 | 114.4 | T446 I450 I472 V482 A486 H490 I496 D508 L509 K510 | T446-M512 HydrophobicContact CG2-CE 4.37Å; T446-M512 HydrophobicContact CG2-SD 3.42Å; T446-M512 WeakPolarHBondContact CG2-SD 3.15Å; I450-M512 HydrophobicContact CD1-CG 4.01Å; I450-M512 HydrophobicContact CD1-SD 3.91Å; I472-M512 HydrophobicContact CD1-CB 4.31Å; I472-M512 HydrophobicContact CD1-SD 4.04Å; V482-M512 HydrophobicContact CB-CG 3.65Å; V482-M512 HydrophobicContact CB-SD 4.03Å; V482-M512 HydrophobicContact CG1-CG 4.33Å; V482-M512 HydrophobicContact CG1-SD 4.05Å; V482-M512 HydrophobicContact CG2-CG 3.85Å; A486-M512 HydrophobicContact CB-CB 4.45Å; H490-M512 PolarHBondContact CE1-O 2.89Å; H490-M512 PolarHBondContact NE2-O 2.96Å; I496-M512 WeakPolarHBondContact CB-O 3.35Å; I496-M512 WeakPolarHBondContact CG2-O 3.5Å; D508-M512 WeakPolarHBondContact O-CE 3.3Å; D508-M512 WeakPolarHBondContact O-CG 3.24Å; D508-M512 PolarHBondContact O-N 2.78Å; L509-M512 HydrophobicContact CD2-CE 3.99Å; L509-M512 PolarHBondContact O-N 2.53Å; K510-M512 VanDerWaalsContact C-N 3.31Å; K510-M512 PolarHBondContact O-N 3.3Å |
| 513 | A | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -60.1 | 152.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L509 K510 K517 H520 A521 | L509-A513 WeakPolarHBondContact O-CB 3.4Å; L509-A513 PolarHBondContact O-N 2.96Å; K510-A513 PolarHBondContact O-N 2.8Å; A513-K517 HydrophobicContact CB-CD 4.28Å; A513-K517 WeakPolarHBondContact O-CD 3.29Å; A513-K517 WeakPolarHBondContact O-CE 3.39Å; A513-K517 PolarHBondContact O-NZ 2.74Å; A513-H520 HydrophobicContact CB-CB 3.79Å; A513-A521 HydrophobicContact CB-CB 4.07Å |
| 514 | S | 98 | Very high | 95.5 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 165.6 | 169.3 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | H490 T495 I496 P516 H520 | H490-S514 PolarHBondContact CD2-OG 3.31Å; H490-S514 PolarHBondContact NE2-OG 3.36Å; T495-S514 WeakPolarHBondContact CA-OG 3.45Å; I496-S514 PolarHBondContact N-OG 3.4Å; I496-S514 PolarHBondContact O-N 3.26Å; S514-P516 CarbonylContact O-C 3.44Å; S514-H520 VanDerWaalsContact O-CB 3.26Å; S514-H520 WeakPolarHBondContact O-CB 3.33Å; S514-H520 PolarHBondContact O-ND1 2.82Å |
| 515 | K | 95.2 | Very high | 95.6 | Very high | 176 Ų | 176 | 58.3 Ų | 58.3 | 77% | 0.765 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -77.7 | 146.6 | 176.4 | -69.6 | -178.3 | -179.5 | 175.5 | 0 | 110.9 | H520 | K515-H520 PolarHBondContact O-CE1 3.28Š|
| 516 | P | 95.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 62.8 Ų | 62.8 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | S | Bend | cis | -75.6 | 137.2 | -8.4 | 28 | -28.7 | 0 | 0 | 0 | 110.9 | S514 E518 S519 H520 | S514-P516 CarbonylContact O-C 3.44Å; P516-E518 PolarHBondContact O-N 3.01Å; P516-S519 WeakPolarHBondContact CG-OG 3.28Å; P516-S519 PolarHBondContact O-N 3.15Å; P516-S519 VanDerWaalsContact O-N 3.17Å; P516-S519 PolarHBondContact O-OG 3.47Å; P516-H520 PolarHBondContact O-N 3.02Å; P516-H520 PolarHBondContact O-ND1 2.96Å |
| 517 | K | 94.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 60 Ų | 60 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -63.2 | -32.7 | -169 | -57 | -60.3 | -160.1 | 158 | 0 | 111.5 | K510 D511 A513 S519 H520 A521 | K510-K517 HydrophobicContact CB-CB 4.4Å; K510-K517 HydrophobicContact CG-CB 4.25Å; K510-K517 WeakPolarHBondContact O-CD 3.43Å; K510-K517 WeakPolarHBondContact O-CE 3.28Å; K510-K517 PolarHBondContact O-NZ 3.05Å; D511-K517 PolarHBondContact O-NZ 3.3Å; A513-K517 HydrophobicContact CB-CD 4.28Å; A513-K517 WeakPolarHBondContact O-CD 3.29Å; A513-K517 WeakPolarHBondContact O-CE 3.39Å; A513-K517 PolarHBondContact O-NZ 2.74Å; K517-S519 PolarHBondContact O-N 2.91Å; K517-H520 PolarHBondContact O-N 3.17Å; K517-H520 VanDerWaalsContact O-N 3.16Å; K517-A521 WeakPolarHBondContact O-CB 3.34Å; K517-A521 PolarHBondContact O-N 2.84Å |
| 518 | E | 90.4 | Very high | 95.9 | Very high | 150 Ų | 150 | 59 Ų | 59 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -65.3 | -21.8 | -178.3 | -61.1 | 69.7 | -152.7 | 0 | 0 | 113.4 | P516 | P516-E518 PolarHBondContact O-N 3.01Š|
| 519 | S | 93.4 | Very high | 96 | Very high | 25 Ų | 25 | 58.2 Ų | 58.2 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -109.7 | 5.3 | 177.3 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | P516 K517 F522 R543 | P516-S519 WeakPolarHBondContact CG-OG 3.28Å; P516-S519 PolarHBondContact O-N 3.15Å; P516-S519 VanDerWaalsContact O-N 3.17Å; P516-S519 PolarHBondContact O-OG 3.47Å; K517-S519 PolarHBondContact O-N 2.91Å; S519-F522 WeakPolarHBondContact O-CZ 3.41Å; S519-R543 PolarHBondContact OG-NH2 3.28Å; S519-R543 VanDerWaalsContact OG-NH2 3.09Å |
| 520 | H | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | -18.4 | -176 | -72.9 | 91.8 | 0 | 0 | 0 | 113 | F497 S498 A513 S514 K515 P516 K517 R543 D544 | F497-H520 CarbonylContact C-O 3.6Å; F497-H520 WeakPolarHBondContact CA-O 3.39Å; F497-H520 HydrophobicContact CD1-CB 4.3Å; F497-H520 AromaticContact CD1-CD2 3.47Å; F497-H520 VanDerWaalsContact CD1-CD2 3.47Å; F497-H520 WeakPolarHBondContact CD1-CD2 3.42Å; F497-H520 AromaticContact CE1-CD2 3.11Å; F497-H520 WeakPolarHBondContact CE1-CD2 3.38Å; F497-H520 AromaticContact CE1-CG 3.9Å; F497-H520 AromaticContact CE1-NE2 3.46Å; F497-H520 WeakPolarHBondContact CE1-NE2 3.27Å; F497-H520 AromaticContact CE2-CD2 3.74Å; F497-H520 AromaticContact CE2-NE2 3.89Å; F497-H520 AromaticContact CG-CD2 3.96Å; F497-H520 AromaticContact CZ-CD2 3.24Å; F497-H520 WeakPolarHBondContact CZ-CD2 3.46Å; F497-H520 AromaticContact CZ-NE2 3.22Å; F497-H520 WeakPolarHBondContact CZ-NE2 3.35Å; S498-H520 PolarHBondContact N-O 3.16Å; A513-H520 HydrophobicContact CB-CB 3.79Å; S514-H520 VanDerWaalsContact O-CB 3.26Å; S514-H520 WeakPolarHBondContact O-CB 3.33Å; S514-H520 PolarHBondContact O-ND1 2.82Å; K515-H520 PolarHBondContact O-CE1 3.28Å; P516-H520 PolarHBondContact O-N 3.02Å; P516-H520 PolarHBondContact O-ND1 2.96Å; K517-H520 PolarHBondContact O-N 3.17Å; K517-H520 VanDerWaalsContact O-N 3.16Å; H520-R543 PolarHBondContact CE1-NH2 2.72Å; H520-D544 IonicContact CE1-OD1 2.77Å; H520-D544 IonicContact CE1-OD2 3.63Å; H520-D544 PolarHBondContact CE1-OD2 2.82Å; H520-D544 IonicContact NE2-OD1 3.74Å; H520-D544 IonicContact NE2-OD2 3.65Å; H520-D544 PolarHBondContact NE2-OD2 2.83Å |
| 521 | A | 98 | Very high | 95.9 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S498 L509 K510 A513 K517 | S498-A521 CarbonylContact O-C 3.55Å; S498-A521 WeakPolarHBondContact O-CA 3.46Å; S498-A521 WeakPolarHBondContact OG-CA 3.2Å; L509-A521 HydrophobicContact CB-CB 4.19Å; K510-A521 HydrophobicContact CG-CB 3.92Å; A513-A521 HydrophobicContact CB-CB 4.07Å; K517-A521 WeakPolarHBondContact O-CB 3.34Å; K517-A521 PolarHBondContact O-N 2.84Å |
| 522 | F | 97.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 63 Ų | 63 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.8 | 178.1 | -56.3 | -80.6 | 0 | 0 | 0 | 110.1 | F497 S498 V499 G500 S519 I533 D536 V537 | F497-F522 AromaticContact CD1-CE2 3.86Å; F497-F522 HydrophobicContact CD1-CE2 3.86Å; S498-F522 PolarHBondContact O-N 3.41Å; V499-F522 WeakPolarHBondContact CA-O 3.01Å; V499-F522 HydrophobicContact CG1-CB 4.5Å; V499-F522 HydrophobicContact CG2-CB 4.4Å; V499-F522 HydrophobicContact CG2-CD2 4.13Å; G500-F522 PolarHBondContact N-O 2.6Å; S519-F522 WeakPolarHBondContact O-CZ 3.41Å; F522-I533 HydrophobicContact CB-CD1 4.22Å; F522-I533 HydrophobicContact CB-CG2 3.82Å; F522-I533 HydrophobicContact CD1-CG2 4.26Å; F522-I533 HydrophobicContact CD2-CG2 4.21Å; F522-I533 HydrophobicContact CG-CG2 3.84Å; F522-D536 HydrophobicContact CE1-CB 3.73Å; F522-D536 HydrophobicContact CZ-CB 4.09Å; F522-V537 HydrophobicContact CD2-CG2 3.81Å; F522-V537 HydrophobicContact CE2-CG2 3.55Å; F522-V537 HydrophobicContact CZ-CG2 4.26Å |
| 523 | F | 97.1 | Very high | 95.9 | Very high | 86 Ų | 86 | 63.4 Ų | 63.4 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137.1 | 178.9 | 176.7 | -94.3 | 0 | 0 | 0 | 110.8 | G500 A502 A504 L506 L509 R525 | G500-F523 WeakPolarHBondContact O-CA 3.29Å; A502-F523 VanDerWaalsContact O-CZ 3.31Å; A502-F523 WeakPolarHBondContact O-CZ 3.32Å; A504-F523 WeakPolarHBondContact O-CE2 3.47Å; L506-F523 HydrophobicContact CD1-CB 4.2Å; L509-F523 HydrophobicContact CD1-CB 4.39Å; L509-F523 HydrophobicContact CD1-CD2 4.25Å; F523-R525 HydrophobicContact CE1-CG 3.94Å; F523-R525 HydrophobicContact CZ-CG 4.49Å |
| 524 | T | 96.7 | Very high | 95.9 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.129 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.5 | 169 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | G500 V501 A502 E526 G529 L530 I533 | G500-T524 PolarHBondContact O-N 2.66Å; V501-T524 CarbonylContact C-O 3.52Å; V501-T524 VanDerWaalsContact CA-O 3.28Å; V501-T524 WeakPolarHBondContact CA-O 3.41Å; V501-T524 HydrophobicContact CB-CG2 4.36Å; V501-T524 HydrophobicContact CG1-CG2 4.14Å; V501-T524 HydrophobicContact CG2-CG2 3.94Å; A502-T524 PolarHBondContact N-O 2.88Å; T524-E526 VanDerWaalsContact C-N 3.35Å; T524-E526 VanDerWaalsContact CG2-O 3.29Å; T524-E526 WeakPolarHBondContact CG2-O 3.46Å; T524-E526 PolarHBondContact OG1-N 3.35Å; T524-E526 PolarHBondContact OG1-O 2.82Å; T524-G529 WeakPolarHBondContact OG1-CA 3.44Å; T524-L530 HydrophobicContact CG2-CD2 4.25Å; T524-L530 HydrophobicContact CG2-CG 4.34Å; T524-I533 HydrophobicContact CG2-CD1 3.88Å |
| 525 | R | 95.5 | Very high | 95.8 | Very high | 209 Ų | 209 | 66.6 Ų | 66.6 | 79% | 0.789 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -73.9 | -27.9 | 178.6 | -66.5 | -177.9 | -179.9 | 171.6 | -0 | 113.1 | A502 F523 | A502-R525 WeakPolarHBondContact CA-O 3.33Å; F523-R525 HydrophobicContact CE1-CG 3.94Å; F523-R525 HydrophobicContact CZ-CG 4.49Å |
| 526 | E | 95 | Very high | 95.8 | Very high | 131 Ų | 131 | 61 Ų | 61 | 61% | 0.612 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -129.2 | 149.8 | -177.2 | -65.4 | 179.8 | -166 | 0 | 0 | 110.1 | T524 T528 G529 | T524-E526 VanDerWaalsContact C-N 3.35Å; T524-E526 VanDerWaalsContact CG2-O 3.29Å; T524-E526 WeakPolarHBondContact CG2-O 3.46Å; T524-E526 PolarHBondContact OG1-N 3.35Å; T524-E526 PolarHBondContact OG1-O 2.82Å; E526-T528 PolarHBondContact O-N 3.16Å; E526-T528 PolarHBondContact OE2-OG1 3.29Å; E526-G529 PolarHBondContact O-N 3.21Å |
| 527 | F | 95.9 | Very high | 96 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -61.6 | -30.5 | 179.2 | -75.4 | -93.6 | 0 | 0 | 0 | 113.2 | V378 N382 L385 M386 D475 V501 A502 G529 L530 | V378-F527 HydrophobicContact CG1-CE1 4Å; V378-F527 HydrophobicContact CG1-CZ 4.12Å; N382-F527 HydrophobicContact CB-CD1 3.65Å; N382-F527 HydrophobicContact CB-CD2 3.77Å; N382-F527 HydrophobicContact CB-CE1 3.6Å; N382-F527 HydrophobicContact CB-CE2 3.74Å; N382-F527 HydrophobicContact CB-CG 3.73Å; N382-F527 HydrophobicContact CB-CZ 3.65Å; N382-F527 VanDerWaalsContact CG-CD2 3.43Å; N382-F527 WeakPolarHBondContact ND2-CE2 3.48Å; L385-F527 HydrophobicContact CB-CB 4.21Å; L385-F527 HydrophobicContact CD1-CB 3.54Å; M386-F527 HydrophobicContact CE-CD1 4.44Å; M386-F527 HydrophobicContact CE-CE1 3.48Å; M386-F527 VanDerWaalsContact CE-CE1 3.48Å; M386-F527 HydrophobicContact CE-CZ 4.19Å; M386-F527 HydrophobicContact CG-CD1 4.12Å; M386-F527 HydrophobicContact CG-CE1 3.93Å; M386-F527 HydrophobicContact SD-CE1 4.29Å; D475-F527 HydrophobicContact CB-CE1 4.37Å; D475-F527 HydrophobicContact CB-CE2 4.48Å; D475-F527 HydrophobicContact CB-CZ 3.65Å; V501-F527 HydrophobicContact CB-CD1 4.39Å; V501-F527 HydrophobicContact CB-CE1 4.22Å; V501-F527 HydrophobicContact CB-CZ 4.34Å; V501-F527 HydrophobicContact CG1-CB 4.25Å; V501-F527 HydrophobicContact CG1-CD1 3.75Å; V501-F527 HydrophobicContact CG1-CD2 3.64Å; V501-F527 HydrophobicContact CG1-CE1 3.93Å; V501-F527 HydrophobicContact CG1-CE2 3.81Å; V501-F527 HydrophobicContact CG1-CG 3.61Å; V501-F527 HydrophobicContact CG1-CZ 3.96Å; V501-F527 HydrophobicContact CG2-CD1 4.48Å; A502-F527 HydrophobicContact CB-CE2 4.33Å; F527-G529 PolarHBondContact O-N 3.16Å; F527-L530 HydrophobicContact CD1-CD1 4.27Å; F527-L530 VanDerWaalsContact O-CB 3.27Å; F527-L530 WeakPolarHBondContact O-CB 3.49Å; F527-L530 WeakPolarHBondContact O-CG 3.22Å; F527-L530 PolarHBondContact O-N 2.98Å; F527-L530 VanDerWaalsContact O-N 3.12Å |
| 528 | T | 94.5 | Very high | 96.1 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -61.5 | -27.1 | 172.9 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | E526 L530 | E526-T528 PolarHBondContact O-N 3.16Å; E526-T528 PolarHBondContact OE2-OG1 3.29Å; T528-L530 PolarHBondContact O-N 3.29Å |
| 529 | G | 96.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -75.9 | 1.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | T524 E526 F527 E531 P532 | T524-G529 WeakPolarHBondContact OG1-CA 3.44Å; E526-G529 PolarHBondContact O-N 3.21Å; F527-G529 PolarHBondContact O-N 3.16Å; G529-E531 VanDerWaalsContact C-N 3.32Å; G529-P532 VanDerWaalsContact O-CD 3.3Å; G529-P532 WeakPolarHBondContact O-CD 3.49Å; G529-P532 VanDerWaalsContact O-CG 3.3Å; G529-P532 WeakPolarHBondContact O-CG 3.45Å |
| 530 | L | 97.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -32.1 | 170.6 | -74.8 | 172.5 | 0 | 0 | 0 | 112.4 | M386 F389 V499 V501 T524 F527 T528 I533 V534 | M386-L530 HydrophobicContact CG-CD1 4.22Å; F389-L530 HydrophobicContact CB-CB 4.04Å; F389-L530 HydrophobicContact CB-CD1 4.09Å; F389-L530 HydrophobicContact CD2-CB 3.79Å; F389-L530 HydrophobicContact CD2-CD2 4.12Å; F389-L530 HydrophobicContact CD2-CG 4.48Å; F389-L530 VanDerWaalsContact CD2-O 3.29Å; F389-L530 WeakPolarHBondContact CD2-O 3.42Å; F389-L530 HydrophobicContact CE2-CD2 4.36Å; F389-L530 HydrophobicContact CG-CB 4.11Å; F389-L530 HydrophobicContact CG-CD1 4.43Å; F389-L530 HydrophobicContact CG-CD2 4.2Å; V499-L530 HydrophobicContact CG1-CD2 3.55Å; V501-L530 HydrophobicContact CG2-CD1 4.12Å; V501-L530 HydrophobicContact CG2-CD2 3.58Å; V501-L530 HydrophobicContact CG2-CG 3.93Å; T524-L530 HydrophobicContact CG2-CD2 4.25Å; T524-L530 HydrophobicContact CG2-CG 4.34Å; F527-L530 HydrophobicContact CD1-CD1 4.27Å; F527-L530 VanDerWaalsContact O-CB 3.27Å; F527-L530 WeakPolarHBondContact O-CB 3.49Å; F527-L530 WeakPolarHBondContact O-CG 3.22Å; F527-L530 PolarHBondContact O-N 2.98Å; F527-L530 VanDerWaalsContact O-N 3.12Å; T528-L530 PolarHBondContact O-N 3.29Å; L530-I533 WeakPolarHBondContact O-CB 3.17Å; L530-I533 PolarHBondContact O-N 2.89Å; L530-I533 VanDerWaalsContact O-N 3.15Å; L530-V534 PolarHBondContact O-N 3.4Å |
| 531 | E | 94.9 | Very high | 96.4 | Very high | 144 Ų | 144 | 55.2 Ų | 55.2 | 67% | 0.673 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -54.6 | -51.9 | -177.6 | -172.5 | -179.9 | -173.3 | 0 | 0 | 113.7 | G529 I533 V534 | G529-E531 VanDerWaalsContact C-N 3.32Å; E531-I533 VanDerWaalsContact C-N 3.28Å; E531-I533 PolarHBondContact O-N 3.22Å; E531-V534 WeakPolarHBondContact O-CB 3.37Å; E531-V534 WeakPolarHBondContact O-CG2 3.33Å; E531-V534 PolarHBondContact O-N 3Å |
| 532 | P | 94.5 | Very high | 96.2 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -30.4 | 178.2 | 23.9 | -34.9 | 0 | 0 | 0 | 113.5 | G529 V534 S535 | G529-P532 VanDerWaalsContact O-CD 3.3Å; G529-P532 WeakPolarHBondContact O-CD 3.49Å; G529-P532 VanDerWaalsContact O-CG 3.3Å; G529-P532 WeakPolarHBondContact O-CG 3.45Å; P532-V534 PolarHBondContact O-N 3.33Å; P532-S535 PolarHBondContact O-N 3.47Å; P532-S535 PolarHBondContact O-OG 3.1Å; P532-S535 VanDerWaalsContact O-OG 3.06Å |
| 533 | I | 97.7 | Very high | 96 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -27.1 | -178.4 | -64.1 | 172.6 | 0 | 0 | 0 | 111.7 | F389 V499 F522 T524 L530 E531 S535 D536 V537 | F389-I533 HydrophobicContact CE2-CB 4.15Å; F389-I533 HydrophobicContact CE2-CG2 4Å; F389-I533 HydrophobicContact CZ-CG2 4.25Å; V499-I533 HydrophobicContact CG1-CD1 4.3Å; V499-I533 HydrophobicContact CG1-CG2 4.2Å; V499-I533 HydrophobicContact CG2-CG2 4.35Å; F522-I533 HydrophobicContact CB-CD1 4.22Å; F522-I533 HydrophobicContact CB-CG2 3.82Å; F522-I533 HydrophobicContact CD1-CG2 4.26Å; F522-I533 HydrophobicContact CD2-CG2 4.21Å; F522-I533 HydrophobicContact CG-CG2 3.84Å; T524-I533 HydrophobicContact CG2-CD1 3.88Å; L530-I533 WeakPolarHBondContact O-CB 3.17Å; L530-I533 PolarHBondContact O-N 2.89Å; L530-I533 VanDerWaalsContact O-N 3.15Å; E531-I533 VanDerWaalsContact C-N 3.28Å; E531-I533 PolarHBondContact O-N 3.22Å; I533-S535 PolarHBondContact O-N 2.84Å; I533-D536 PolarHBondContact O-N 2.94Å; I533-V537 HydrophobicContact CG2-CG2 3.8Å; I533-V537 PolarHBondContact O-N 3.39Å |
| 534 | V | 98.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -49.4 | -47.1 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | F389 N392 I393 L530 E531 P532 D536 I538 | F389-V534 HydrophobicContact CD2-CG2 3.48Å; F389-V534 VanDerWaalsContact CD2-CG2 3.48Å; F389-V534 HydrophobicContact CE2-CG2 3.78Å; F389-V534 HydrophobicContact CG-CG2 4.48Å; N392-V534 HydrophobicContact CB-CG1 4.06Å; N392-V534 HydrophobicContact CB-CG2 3.92Å; I393-V534 HydrophobicContact CG1-CB 4.41Å; I393-V534 HydrophobicContact CG1-CG1 3.93Å; I393-V534 HydrophobicContact CG1-CG2 4.39Å; L530-V534 PolarHBondContact O-N 3.4Å; E531-V534 WeakPolarHBondContact O-CB 3.37Å; E531-V534 WeakPolarHBondContact O-CG2 3.33Å; E531-V534 PolarHBondContact O-N 3Å; P532-V534 PolarHBondContact O-N 3.33Å; V534-D536 VanDerWaalsContact C-N 3.33Å; V534-D536 PolarHBondContact O-N 3.27Å; V534-I538 HydrophobicContact CG1-CD1 3.68Å; V534-I538 WeakPolarHBondContact O-CD1 3.2Å; V534-I538 VanDerWaalsContact O-CG1 3.26Å; V534-I538 WeakPolarHBondContact O-CG1 2.93Å; V534-I538 PolarHBondContact O-N 3.36Å; V534-I538 VanDerWaalsContact O-N 3.11Å |
| 535 | S | 95.8 | Very high | 95.5 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68 | -33.6 | -176.2 | 72.8 | 0 | 0 | 0 | 0 | 112.9 | P532 I533 R539 | P532-S535 PolarHBondContact O-N 3.47Å; P532-S535 PolarHBondContact O-OG 3.1Å; P532-S535 VanDerWaalsContact O-OG 3.06Å; I533-S535 PolarHBondContact O-N 2.84Å; S535-R539 WeakPolarHBondContact O-CB 3.39Å; S535-R539 PolarHBondContact O-N 3.47Å |
| 536 | D | 96.8 | Very high | 95 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 32% | 0.316 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -77 | -38 | -179.8 | -68.8 | -37.3 | 0 | 0 | 0 | 111.8 | F522 I533 V534 R539 G540 | F522-D536 HydrophobicContact CE1-CB 3.73Å; F522-D536 HydrophobicContact CZ-CB 4.09Å; I533-D536 PolarHBondContact O-N 2.94Å; V534-D536 VanDerWaalsContact C-N 3.33Å; V534-D536 PolarHBondContact O-N 3.27Å; D536-R539 PolarHBondContact O-N 2.91Å; D536-R539 IonicContact OD1-CZ 3.78Å; D536-R539 IonicContact OD1-NH1 3.35Å; D536-R539 PolarHBondContact OD1-NH1 3.06Å; D536-R539 IonicContact OD1-NH2 2.72Å; D536-G540 PolarHBondContact O-N 2.85Å |
| 537 | V | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 173 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | F389 I393 V471 F497 V499 F522 I533 R539 G540 I541 | F389-V537 HydrophobicContact CZ-CG2 4.27Å; I393-V537 HydrophobicContact CD1-CB 4.09Å; I393-V537 HydrophobicContact CD1-CG1 3.83Å; V471-V537 HydrophobicContact CG2-CG1 4.21Å; F497-V537 HydrophobicContact CG-CG1 4.46Å; V499-V537 HydrophobicContact CG2-CG2 4.18Å; F522-V537 HydrophobicContact CD2-CG2 3.81Å; F522-V537 HydrophobicContact CE2-CG2 3.55Å; F522-V537 HydrophobicContact CZ-CG2 4.26Å; I533-V537 HydrophobicContact CG2-CG2 3.8Å; I533-V537 PolarHBondContact O-N 3.39Å; V537-R539 VanDerWaalsContact C-N 3.32Å; V537-R539 PolarHBondContact O-N 3.2Å; V537-G540 PolarHBondContact O-N 3.25Å; V537-I541 HydrophobicContact CG1-CD1 3.89Å; V537-I541 HydrophobicContact CG1-CG1 4.42Å; V537-I541 WeakPolarHBondContact O-CG1 3.37Å; V537-I541 PolarHBondContact O-N 3.46Å |
| 538 | I | 97 | Very high | 93.6 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 177.3 | -66.7 | 161.8 | 0 | 0 | 0 | 110.6 | Y363 I393 T396 F397 V534 G540 I541 C542 | Y363-I538 HydrophobicContact CE1-CG2 4.18Å; I393-I538 HydrophobicContact CG2-CG1 4.27Å; T396-I538 HydrophobicContact CG2-CD1 3.96Å; T396-I538 HydrophobicContact CG2-CG2 4.07Å; T396-I538 WeakPolarHBondContact OG1-CD1 3.37Å; F397-I538 HydrophobicContact CE2-CG1 4.25Å; V534-I538 HydrophobicContact CG1-CD1 3.68Å; V534-I538 WeakPolarHBondContact O-CD1 3.2Å; V534-I538 VanDerWaalsContact O-CG1 3.26Å; V534-I538 WeakPolarHBondContact O-CG1 2.93Å; V534-I538 PolarHBondContact O-N 3.36Å; V534-I538 VanDerWaalsContact O-N 3.11Å; I538-G540 VanDerWaalsContact C-N 3.32Å; I538-G540 PolarHBondContact O-N 2.89Å; I538-I541 PolarHBondContact O-N 2.84Å; I538-C542 WeakPolarHBondContact O-CB 3.48Å; I538-C542 PolarHBondContact O-N 3.41Å |
| 539 | R | 94.6 | Very high | 92 | Very high | 150 Ų | 150 | 49.3 Ų | 49.3 | 57% | 0.566 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 177.4 | -169.1 | -173.2 | -59.2 | 131.9 | 9.1 | 111.3 | S535 D536 V537 C542 R543 | S535-R539 WeakPolarHBondContact O-CB 3.39Å; S535-R539 PolarHBondContact O-N 3.47Å; D536-R539 PolarHBondContact O-N 2.91Å; D536-R539 IonicContact OD1-CZ 3.78Å; D536-R539 IonicContact OD1-NH1 3.35Å; D536-R539 PolarHBondContact OD1-NH1 3.06Å; D536-R539 IonicContact OD1-NH2 2.72Å; V537-R539 VanDerWaalsContact C-N 3.32Å; V537-R539 PolarHBondContact O-N 3.2Å; R539-C542 PolarHBondContact O-N 2.83Å; R539-R543 WeakPolarHBondContact O-CB 3.49Å; R539-R543 PolarHBondContact O-N 3.06Å |
| 540 | G | 96.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -54.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | D536 V537 I538 C542 R543 D544 | D536-G540 PolarHBondContact O-N 2.85Å; V537-G540 PolarHBondContact O-N 3.25Å; I538-G540 VanDerWaalsContact C-N 3.32Å; I538-G540 PolarHBondContact O-N 2.89Å; G540-C542 VanDerWaalsContact C-N 3.26Å; G540-C542 PolarHBondContact O-N 2.88Å; G540-R543 PolarHBondContact O-N 3.27Å; G540-R543 VanDerWaalsContact O-N 3.16Å; G540-D544 PolarHBondContact O-N 3.32Å |
| 541 | I | 96.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.7 | -46.3 | 177.6 | -69.5 | 169.2 | 0 | 0 | 0 | 110.6 | I368 F397 F469 V471 F497 V537 I538 F545 | I368-I541 HydrophobicContact CD1-CD1 4.14Å; F397-I541 HydrophobicContact CE1-CG2 3.96Å; F397-I541 HydrophobicContact CE2-CD1 4.48Å; F397-I541 HydrophobicContact CZ-CB 4.32Å; F397-I541 HydrophobicContact CZ-CD1 4.03Å; F397-I541 HydrophobicContact CZ-CG2 3.86Å; F469-I541 HydrophobicContact CD1-CB 4.49Å; F469-I541 HydrophobicContact CD1-CG1 4.09Å; F469-I541 HydrophobicContact CD1-CG2 4.27Å; F469-I541 HydrophobicContact CD2-CG2 3.96Å; F469-I541 HydrophobicContact CE1-CB 4.41Å; F469-I541 HydrophobicContact CE1-CG1 4.46Å; F469-I541 HydrophobicContact CE1-CG2 4.16Å; F469-I541 HydrophobicContact CE2-CG2 3.84Å; F469-I541 HydrophobicContact CG-CG1 4.32Å; F469-I541 HydrophobicContact CG-CG2 4.16Å; F469-I541 HydrophobicContact CZ-CG2 3.94Å; F469-I541 WeakPolarHBondContact CZ-O 3.42Å; V471-I541 HydrophobicContact CG2-CD1 4.36Å; F497-I541 HydrophobicContact CD2-CG1 3.95Å; F497-I541 HydrophobicContact CE2-CB 4.43Å; F497-I541 HydrophobicContact CE2-CG1 3.53Å; F497-I541 HydrophobicContact CZ-CG1 4.06Å; V537-I541 HydrophobicContact CG1-CD1 3.89Å; V537-I541 HydrophobicContact CG1-CG1 4.42Å; V537-I541 WeakPolarHBondContact O-CG1 3.37Å; V537-I541 PolarHBondContact O-N 3.46Å; I538-I541 PolarHBondContact O-N 2.84Å; I541-F545 VanDerWaalsContact O-CB 3.32Å; I541-F545 WeakPolarHBondContact O-CB 3.34Å; I541-F545 PolarHBondContact O-N 3.19Å |
| 542 | C | 93.4 | Very high | 89 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 10% | 0.095 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | -179.3 | -78.1 | 0 | 0 | 0 | 0 | 114.1 | C362 I538 R539 G540 L546 | C362-C542 VanDerWaalsContact CB-CA 3.46Å; C362-C542 HydrophobicContact CB-CB 3.64Å; C362-C542 WeakPolarHBondContact CB-SG 3.4Å; C362-C542 WeakPolarHBondContact SG-CB 3.24Å; C362-C542 CovalentContact SG-SG 2.04Å; C362-C542 PolarHBondContact SG-SG 3.39Å; I538-C542 WeakPolarHBondContact O-CB 3.48Å; I538-C542 PolarHBondContact O-N 3.41Å; R539-C542 PolarHBondContact O-N 2.83Å; G540-C542 VanDerWaalsContact C-N 3.26Å; G540-C542 PolarHBondContact O-N 2.88Å; C542-L546 VanDerWaalsContact O-CG 3.29Å; C542-L546 WeakPolarHBondContact O-CG 3.46Å; C542-L546 PolarHBondContact O-N 2.89Å |
| 543 | R | 93.6 | Very high | 88.7 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -51.9 | 174.1 | 178.1 | -166.7 | 61.1 | -126.9 | -11.3 | 110.5 | S519 H520 R539 G540 F545 L546 E547 | S519-R543 PolarHBondContact OG-NH2 3.28Å; S519-R543 VanDerWaalsContact OG-NH2 3.09Å; H520-R543 PolarHBondContact CE1-NH2 2.72Å; R539-R543 WeakPolarHBondContact O-CB 3.49Å; R539-R543 PolarHBondContact O-N 3.06Å; G540-R543 PolarHBondContact O-N 3.27Å; G540-R543 VanDerWaalsContact O-N 3.16Å; R543-F545 VanDerWaalsContact C-N 3.31Å; R543-F545 PolarHBondContact O-N 2.87Å; R543-L546 WeakPolarHBondContact O-CB 3.32Å; R543-L546 PolarHBondContact O-N 2.91Å; R543-E547 WeakPolarHBondContact CG-OE1 3.47Å; R543-E547 PolarHBondContact O-N 3.23Å |
| 544 | D | 93.6 | Very high | 88.2 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -34 | -176.6 | -78.5 | 45.8 | 0 | 0 | 0 | 112.4 | F469 H520 G540 L546 S548 | F469-D544 HydrophobicContact CE1-CB 3.98Å; F469-D544 HydrophobicContact CZ-CB 4.37Å; H520-D544 IonicContact CE1-OD1 2.77Å; H520-D544 IonicContact CE1-OD2 3.63Å; H520-D544 PolarHBondContact CE1-OD2 2.82Å; H520-D544 IonicContact NE2-OD1 3.74Å; H520-D544 IonicContact NE2-OD2 3.65Å; H520-D544 PolarHBondContact NE2-OD2 2.83Å; G540-D544 PolarHBondContact O-N 3.32Å; D544-L546 VanDerWaalsContact C-N 3.35Å; D544-L546 PolarHBondContact O-N 3.43Å; D544-S548 WeakPolarHBondContact O-CB 3.44Å; D544-S548 PolarHBondContact O-N 3.25Å; D544-S548 VanDerWaalsContact O-N 3.09Å; D544-S548 PolarHBondContact O-OG 3.29Å |
| 545 | F | 90.9 | Very high | 87.5 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -48.1 | 168.4 | 175.7 | -92.4 | 0 | 0 | 0 | 111.4 | C362 S365 V366 K467 F469 I541 R543 S548 Q549 | C362-F545 HydrophobicContact CB-CB 3.8Å; C362-F545 HydrophobicContact CB-CD1 3.77Å; C362-F545 HydrophobicContact CB-CG 3.79Å; S365-F545 WeakPolarHBondContact O-CE2 3.38Å; V366-F545 HydrophobicContact CG1-CD2 3.76Å; V366-F545 HydrophobicContact CG1-CE2 4.32Å; V366-F545 HydrophobicContact CG1-CG 4.46Å; K467-F545 HydrophobicContact CB-CD2 4.02Å; F469-F545 HydrophobicContact CZ-CB 4.3Å; I541-F545 VanDerWaalsContact O-CB 3.32Å; I541-F545 WeakPolarHBondContact O-CB 3.34Å; I541-F545 PolarHBondContact O-N 3.19Å; R543-F545 VanDerWaalsContact C-N 3.31Å; R543-F545 PolarHBondContact O-N 2.87Å; F545-S548 PolarHBondContact O-N 3.27Å; F545-S548 PolarHBondContact O-OG 3.03Å; F545-Q549 WeakPolarHBondContact O-CG 3.44Å |
| 546 | L | 84.7 | Confident | 87 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.7 | -32.6 | -176.4 | -69.6 | 171.6 | 0 | 0 | 0 | 113.9 | K264 C542 R543 D544 | K264-L546 PolarHBondContact NZ-O 3.2Å; C542-L546 VanDerWaalsContact O-CG 3.29Å; C542-L546 WeakPolarHBondContact O-CG 3.46Å; C542-L546 PolarHBondContact O-N 2.89Å; R543-L546 WeakPolarHBondContact O-CB 3.32Å; R543-L546 PolarHBondContact O-N 2.91Å; D544-L546 VanDerWaalsContact C-N 3.35Å; D544-L546 PolarHBondContact O-N 3.43Å |
| 547 | E | 84 | Confident | 86.3 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 50% | 0.495 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.6 | -37.1 | 175.8 | -72.2 | 177.2 | -171 | 0 | 0 | 111.2 | R543 Q549 Q550 | R543-E547 WeakPolarHBondContact CG-OE1 3.47Å; R543-E547 PolarHBondContact O-N 3.23Å; E547-Q549 PolarHBondContact O-N 3.35Å; E547-Q549 VanDerWaalsContact O-N 3.1Å; E547-Q550 PolarHBondContact O-N 2.77Å; E547-Q550 VanDerWaalsContact O-N 3.14Å |
| 548 | S | 77.3 | Confident | 85.4 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -8 | 177.3 | 75.8 | 0 | 0 | 0 | 0 | 115.6 | D544 F545 | D544-S548 WeakPolarHBondContact O-CB 3.44Å; D544-S548 PolarHBondContact O-N 3.25Å; D544-S548 VanDerWaalsContact O-N 3.09Å; D544-S548 PolarHBondContact O-OG 3.29Å; F545-S548 PolarHBondContact O-N 3.27Å; F545-S548 PolarHBondContact O-OG 3.03Å |
| 549 | Q | 61.8 | Low | 84.4 | Confident | 116 Ų | 116 | 69 Ų | 69 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2.9 | 176.9 | -60.6 | -67.1 | -56.6 | 0 | 0 | 112.7 | F545 E547 | F545-Q549 WeakPolarHBondContact O-CG 3.44Å; E547-Q549 PolarHBondContact O-N 3.35Å; E547-Q549 VanDerWaalsContact O-N 3.1Å |
| 550 | Q | 46.4 | Very low | 83.5 | Confident | 207 Ų | 207 | 61.6 Ų | 61.6 | 97% | 0.967 | 30% | 0.298 | S | S | * | . | trans | -94.6 | 0 | 168.2 | -83.6 | 171.3 | -7.1 | 0 | 0 | 109.8 | E547 | E547-Q550 PolarHBondContact O-N 2.77Å; E547-Q550 VanDerWaalsContact O-N 3.14Å |
Retrieved 550 of 550 residues in 1095.8 ms
(Link to these results)