| 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 | 48.3 | Very low | 50.2 | Low | 244 Ų | 244 | 142.3 Ų | 142.3 | 100% | 1.202 | 86% | 0.857 | S | S | * | * | 0 | 94.8 | 0 | -73.5 | 174 | 143.5 | 0 | 0 | 108.2 | |||||
| 2 | S | 42.7 | Very low | 49.8 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 90% | 0.895 | 85% | 0.848 | S | S | * | * | trans | -171.2 | 138.1 | 168 | -62.8 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 3 | S | 43.8 | Very low | 50 | Low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 85% | 0.847 | S | S | * | * | cis | -163.1 | 139 | -12.6 | -178.5 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 4 | A | 50.3 | Low | 50.3 | Low | 101 Ų | 101 | 141.4 Ų | 141.4 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | trans | -89.6 | 131.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 5 | A | 53.5 | Low | 49.7 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | trans | 165.4 | 132 | 156.1 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 6 | E | 55.5 | Low | 49.7 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | -150.2 | 153.6 | 58.6 | -77.8 | 164.2 | 132.5 | 0 | 0 | 112 | |||||
| 7 | T | 48.6 | Very low | 49.5 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -93.8 | 130.3 | -163.5 | -45.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 8 | V | 56.3 | Low | 49.4 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | 1.5 | 107.4 | 148.5 | -170.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 9 | E | 54.8 | Low | 49.5 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -120.5 | 86.5 | 153.6 | -82.9 | -170 | 154.6 | 0 | 0 | 108.6 | ||||
| 10 | N | 49.9 | Very low | 49.9 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -165.4 | 66.1 | 167.4 | -88.8 | -35.3 | 0 | 0 | 0 | 110.2 | ||||
| 11 | A | 48.6 | Very low | 50.5 | Low | 94 Ų | 94 | 125.6 Ų | 125.6 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -159.3 | 20.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 12 | S | 45.5 | Very low | 52 | Low | 106 Ų | 106 | 114.4 Ų | 114.4 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -111.1 | -5.1 | -176.5 | 54.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 13 | I | 52.1 | Low | 54.3 | Low | 163 Ų | 163 | 110 Ų | 110 | 84% | 0.836 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -89 | -18.1 | -172.3 | -61.5 | -178.8 | 0 | 0 | 0 | 114 | ||
| 14 | I | 54.5 | Low | 56.7 | Low | 146 Ų | 146 | 105.9 Ų | 105.9 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -102.8 | -19.2 | -169.9 | -52.8 | 177.9 | 0 | 0 | 0 | 113.2 | S17 | I14-S17 PolarHBondContact O-OG 3.45Š|
| 15 | A | 41.3 | Very low | 58.9 | Low | 86 Ų | 86 | 101.1 Ų | 101.1 | 71% | 0.711 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -81.8 | -17.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | S17 | A15-S17 PolarHBondContact O-N 3.01Š|
| 16 | E | 49 | Very low | 60.9 | Low | 147 Ų | 147 | 100.2 Ų | 100.2 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -89.3 | 26.9 | 179.7 | -154.3 | 172.4 | 109.6 | 0 | 0 | 112.9 | K50 | E16-K50 IonicContact OE1-NZ 3.66Å; E16-K50 PolarHBondContact OE1-NZ 3.29Å |
| 17 | S | 47.3 | Very low | 62.9 | Low | 82 Ų | 82 | 91 Ų | 91 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -103.6 | -4.8 | -178.9 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | I14 A15 | I14-S17 PolarHBondContact O-OG 3.45Å; A15-S17 PolarHBondContact O-N 3.01Å |
| 18 | A | 47.4 | Very low | 65.2 | Low | 74 Ų | 74 | 84.8 Ų | 84.8 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -104.4 | -6.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 19 | S | 51.5 | Low | 67.1 | Low | 97 Ų | 97 | 82.7 Ų | 82.7 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | trans | -141.9 | 66.5 | 179.5 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | D21 | S19-D21 PolarHBondContact O-N 2.91Š| ||
| 20 | H | 56.4 | Low | 69.1 | Low | 63 Ų | 63 | 74.1 Ų | 74.1 | 29% | 0.292 | 44% | 0.438 | S | S | . | . | trans | -78.6 | 12.6 | 174.2 | -82.7 | 94.2 | 0 | 0 | 0 | 113.6 | G22 N73 | H20-G22 PolarHBondContact O-N 3.34Å; H20-N73 PolarHBondContact CD2-ND2 2.91Å; H20-N73 PolarHBondContact NE2-ND2 3.34Å | ||
| 21 | D | 63.9 | Low | 71.3 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 58% | 0.583 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -2.6 | -171.2 | -57.1 | -67.3 | 0 | 0 | 0 | 114.3 | S19 A104 | S19-D21 PolarHBondContact O-N 2.91Å; D21-A104 WeakPolarHBondContact OD1-CB 3.31Å |
| 22 | G | 79.8 | Confident | 73.4 | Confident | 9 Ų | 9 | 66 Ų | 66 | 9% | 0.093 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -10.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | H20 R77 W101 | H20-G22 PolarHBondContact O-N 3.34Å; G22-R77 WeakPolarHBondContact O-CG 3.48Å; G22-W101 WeakPolarHBondContact O-CH2 3.39Å; G22-W101 WeakPolarHBondContact O-CZ3 3.17Å |
| 23 | N | 91.3 | Very high | 75.6 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 19% | 0.187 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -7.7 | -165 | -57.5 | 34.3 | 0 | 0 | 0 | 113 | N73 F74 S75 | N23-N73 PolarHBondContact O-OD1 3.32Å; N23-F74 PolarHBondContact O-N 3.45Å; N23-S75 PolarHBondContact ND2-O 3.08Å |
| 24 | R | 93.6 | Very high | 77.6 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.3 | -179.1 | -160.5 | -178.7 | -171.9 | 178.5 | 3.8 | 111.4 | D53 V72 A102 | R24-D53 IonicContact CZ-OD2 3.5Å; R24-D53 IonicContact NH2-OD2 2.91Å; R24-D53 PolarHBondContact NH2-OD2 2.99Å; R24-V72 CarbonylContact C-O 3.45Å; R24-V72 VanDerWaalsContact CA-O 3.3Å; R24-V72 WeakPolarHBondContact CA-O 3.38Å; R24-V72 WeakPolarHBondContact CG-O 3.38Å; R24-A102 HydrophobicContact CB-CB 4.08Å; R24-A102 HydrophobicContact CG-CB 3.79Å; R24-A102 PolarHBondContact O-N 3.24Å |
| 25 | L | 95.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 147.4 | 175.4 | -52.3 | -174.9 | 0 | 0 | 0 | 111.4 | F71 V72 F74 A80 A83 I84 V99 R100 W101 | L25-F71 VanDerWaalsContact O-CA 3.32Å; L25-F71 WeakPolarHBondContact O-CA 3.4Å; L25-V72 HydrophobicContact CB-CG1 3.72Å; L25-V72 HydrophobicContact CD1-CG1 4.37Å; L25-V72 HydrophobicContact CG-CG1 4.29Å; L25-V72 PolarHBondContact N-O 3.47Å; L25-V72 PolarHBondContact O-N 2.87Å; L25-F74 HydrophobicContact CD1-CD2 4.11Å; L25-F74 HydrophobicContact CD1-CE2 3.73Å; L25-F74 HydrophobicContact CG-CD2 4.35Å; L25-F74 HydrophobicContact CG-CE2 4.35Å; L25-A80 HydrophobicContact CD1-CB 4.18Å; L25-A80 WeakPolarHBondContact CD1-O 3.36Å; L25-A80 HydrophobicContact CD2-CB 3.95Å; L25-A80 HydrophobicContact CG-CB 4.05Å; L25-A83 HydrophobicContact CD1-CB 3.89Å; L25-I84 HydrophobicContact CD1-CG1 3.91Å; L25-I84 HydrophobicContact CD2-CD1 3.51Å; L25-I84 HydrophobicContact CD2-CG1 3.62Å; L25-I84 HydrophobicContact CG-CG1 4.41Å; L25-V99 HydrophobicContact CB-CG1 4.3Å; L25-V99 HydrophobicContact CD1-CG1 3.93Å; L25-R100 CarbonylContact C-O 3.58Å; L25-R100 WeakPolarHBondContact CA-O 3.46Å; L25-W101 HydrophobicContact CD2-CD2 4.18Å; L25-W101 HydrophobicContact CD2-CE3 3.41Å; L25-W101 VanDerWaalsContact CD2-CE3 3.41Å; L25-W101 HydrophobicContact CD2-CH2 4.35Å; L25-W101 HydrophobicContact CD2-CZ3 3.49Å; L25-W101 VanDerWaalsContact CD2-CZ3 3.49Å |
| 26 | W | 96.5 | Very high | 82 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.6 | 163.8 | 175.4 | 83.6 | 0 | 0 | 0 | 108.4 | Y69 F71 V98 V99 R100 A102 | W26-Y69 AromaticContact NE1-CD2 3.58Å; W26-Y69 AromaticContact NE1-CG 3.61Å; W26-F71 HydrophobicContact CB-CD1 4.15Å; W26-F71 HydrophobicContact CB-CE1 4.02Å; W26-F71 AromaticContact CD1-CE1 3.48Å; W26-F71 VanDerWaalsContact CD1-CE1 3.48Å; W26-F71 AromaticContact CD1-CZ 3.72Å; W26-F71 HydrophobicContact CG-CE1 4.14Å; W26-V98 HydrophobicContact CZ3-CB 4.08Å; W26-V98 HydrophobicContact CZ3-CG1 3.86Å; W26-V99 WeakPolarHBondContact O-CA 3.37Å; W26-R100 HydrophobicContact CE3-CB 4.31Å; W26-R100 HydrophobicContact CE3-CG 4.38Å; W26-R100 PolarHBondContact N-O 3.15Å; W26-R100 PolarHBondContact O-N 2.96Å; W26-A102 HydrophobicContact CB-CB 4.16Å |
| 27 | I | 96.8 | Very high | 84.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121 | 176 | -57.9 | 165.4 | 0 | 0 | 0 | 106.9 | I30 L43 Y69 C70 V72 V98 V99 | I27-I30 HydrophobicContact CG2-CD1 4.04Å; I27-I30 HydrophobicContact CG2-CG1 4.22Å; I27-L43 HydrophobicContact CD1-CD1 3.9Å; I27-L43 HydrophobicContact CD1-CD2 3.68Å; I27-L43 HydrophobicContact CD1-CG 4.36Å; I27-Y69 CarbonylContact O-C 3.51Å; I27-Y69 WeakPolarHBondContact O-CA 2.87Å; I27-Y69 VanDerWaalsContact O-CB 3.26Å; I27-Y69 WeakPolarHBondContact O-CB 3.48Å; I27-C70 PolarHBondContact N-O 3.5Å; I27-C70 PolarHBondContact O-N 3.01Å; I27-V72 HydrophobicContact CD1-CG1 3.75Å; I27-V72 HydrophobicContact CG1-CG1 4.44Å; I27-V98 CarbonylContact C-O 3.56Å; I27-V98 WeakPolarHBondContact CA-O 3.34Å; I27-V99 HydrophobicContact CG1-CG1 4Å; I27-V99 HydrophobicContact CG1-CG2 4.12Å; I27-V99 HydrophobicContact CG2-CG2 4.26Å |
| 28 | G | 96.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | -176.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | I30 V98 | G28-I30 PolarHBondContact O-N 3.04Å; G28-V98 PolarHBondContact N-O 2.83Å; G28-V98 PolarHBondContact O-N 3.46Å |
| 29 | N | 96.9 | Very high | 88.7 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 57.5 | 34.8 | -169.9 | -164.7 | 44.5 | 0 | 0 | 0 | 112.8 | G68 K95 K96 V98 | N29-G68 PolarHBondContact N-O 3.23Å; N29-K95 WeakPolarHBondContact O-CB 3.19Å; N29-K96 PolarHBondContact ND2-O 2.82Å; N29-V98 HydrophobicContact CB-CG2 4.06Å |
| 30 | I | 96.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | trans | -74.2 | 138.8 | -179.7 | -53.2 | 175.4 | 0 | 0 | 0 | 108.6 | I27 G28 I34 L39 F54 G68 C70 L97 | I27-I30 HydrophobicContact CG2-CD1 4.04Å; I27-I30 HydrophobicContact CG2-CG1 4.22Å; G28-I30 PolarHBondContact O-N 3.04Å; I30-I34 HydrophobicContact CG2-CB 3.84Å; I30-I34 HydrophobicContact CG2-CD1 4.14Å; I30-I34 HydrophobicContact CG2-CG1 4.49Å; I30-I34 HydrophobicContact CG2-CG2 4.07Å; I30-L39 HydrophobicContact CD1-CD1 3.8Å; I30-L39 HydrophobicContact CD1-CD2 4.36Å; I30-L39 HydrophobicContact CG2-CD1 4.3Å; I30-F54 HydrophobicContact CD1-CE2 4.42Å; I30-G68 PolarHBondContact N-O 2.78Å; I30-C70 HydrophobicContact CD1-CB 4.43Å; I30-L97 HydrophobicContact CG1-CD2 4.13Å | ||
| 31 | D | 95.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | trans | -69.6 | 132.4 | 172.8 | -171.1 | -55.5 | 0 | 0 | 0 | 109.4 | K33 I34 L93 S94 K95 | D31-K33 PolarHBondContact O-N 3.23Å; D31-K33 WeakPolarHBondContact OD1-CB 3.21Å; D31-K33 WeakPolarHBondContact OD1-CG 3.29Å; D31-K33 PolarHBondContact OD1-N 3.15Å; D31-I34 HydrophobicContact CB-CD1 4.06Å; D31-I34 HydrophobicContact CB-CG1 4.14Å; D31-I34 WeakPolarHBondContact O-CB 2.97Å; D31-I34 PolarHBondContact O-N 3.4Å; D31-L93 HydrophobicContact CB-CB 4.28Å; D31-L93 HydrophobicContact CB-CD1 4.43Å; D31-S94 VanDerWaalsContact OD2-CB 3.23Å; D31-S94 WeakPolarHBondContact OD2-CB 3.2Å; D31-S94 PolarHBondContact OD2-N 2.9Å; D31-S94 PolarHBondContact OD2-OG 3Å; D31-K95 HydrophobicContact CB-CB 4.45Å; D31-K95 HydrophobicContact CB-CD 4.39Å; D31-K95 HydrophobicContact CB-CG 4.33Å | ||
| 32 | P | 92.7 | Very high | 94.1 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.3 | -177.8 | 26.1 | -36.7 | 0 | 0 | 0 | 114.2 | I34 P66 | P32-I34 VanDerWaalsContact C-N 3.27Å; P32-P66 HydrophobicContact CB-CG 3.94Å |
| 33 | K | 93.6 | Very high | 94.8 | Very high | 162 Ų | 162 | 53 Ų | 53 | 70% | 0.704 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.2 | 173 | -63.3 | 179.1 | 179.5 | 178.5 | 0 | 113 | D31 L93 | D31-K33 PolarHBondContact O-N 3.23Å; D31-K33 WeakPolarHBondContact OD1-CB 3.21Å; D31-K33 WeakPolarHBondContact OD1-CG 3.29Å; D31-K33 PolarHBondContact OD1-N 3.15Å; K33-L93 HydrophobicContact CB-CD1 3.75Å |
| 34 | I | 93.9 | Very high | 95 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | trans | -82.5 | 120.6 | 178 | -61 | 176.9 | 0 | 0 | 0 | 108.9 | I30 D31 P32 H38 L39 A92 L93 | I30-I34 HydrophobicContact CG2-CB 3.84Å; I30-I34 HydrophobicContact CG2-CD1 4.14Å; I30-I34 HydrophobicContact CG2-CG1 4.49Å; I30-I34 HydrophobicContact CG2-CG2 4.07Å; D31-I34 HydrophobicContact CB-CD1 4.06Å; D31-I34 HydrophobicContact CB-CG1 4.14Å; D31-I34 WeakPolarHBondContact O-CB 2.97Å; D31-I34 PolarHBondContact O-N 3.4Å; P32-I34 VanDerWaalsContact C-N 3.27Å; I34-H38 HydrophobicContact CG2-CB 3.96Å; I34-L39 HydrophobicContact CG2-CD1 4.22Å; I34-L39 HydrophobicContact CG2-CD2 4.1Å; I34-L39 HydrophobicContact CG2-CG 3.77Å; I34-A92 HydrophobicContact CD1-CB 3.58Å; I34-L93 HydrophobicContact CD1-CD1 4.25Å; I34-L93 HydrophobicContact CD1-CG 4.21Å; I34-L93 HydrophobicContact CG1-CD1 3.52Å; I34-L93 HydrophobicContact CG1-CG 3.97Å | ||
| 35 | T | 94.5 | Very high | 95.1 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | trans | -85.7 | 162.7 | 174 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | Y37 H38 L39 | T35-Y37 PolarHBondContact O-N 3.38Å; T35-H38 PolarHBondContact O-N 2.74Å; T35-H38 PolarHBondContact OG1-CD2 3.04Å; T35-L39 PolarHBondContact O-N 3.48Å | ||
| 36 | E | 93.8 | Very high | 95.1 | Very high | 89 Ų | 89 | 64 Ų | 64 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -49.2 | -44.5 | 171.3 | 155.4 | 165.2 | -138.3 | 0 | 0 | 112.5 | H38 L39 V40 F52 F54 | E36-H38 VanDerWaalsContact C-N 3.31Å; E36-H38 PolarHBondContact O-N 2.81Å; E36-L39 PolarHBondContact O-N 2.81Å; E36-L39 VanDerWaalsContact O-N 3.07Å; E36-V40 HydrophobicContact CG-CG2 4.23Å; E36-V40 WeakPolarHBondContact O-CG2 3.33Å; E36-V40 PolarHBondContact O-N 3.31Å; E36-F52 HydrophobicContact CB-CE1 3.99Å; E36-F52 HydrophobicContact CG-CD1 4.06Å; E36-F52 HydrophobicContact CG-CE1 3.53Å; E36-F52 VanDerWaalsContact OE1-CD1 3.28Å; E36-F52 WeakPolarHBondContact OE1-CD1 3.5Å; E36-F54 HydrophobicContact CB-CB 4.33Å; E36-F54 HydrophobicContact CB-CD1 4.44Å; E36-F54 HydrophobicContact CB-CG 4.27Å |
| 37 | Y | 94.7 | Very high | 94.9 | Very high | 160 Ų | 160 | 61.3 Ų | 61.3 | 63% | 0.627 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55.4 | -43.8 | -179.8 | 178.2 | -98.9 | 0 | 0 | 0 | 112.8 | T35 L39 K41 | T35-Y37 PolarHBondContact O-N 3.38Å; Y37-L39 VanDerWaalsContact C-N 3.33Å; Y37-L39 PolarHBondContact O-N 3.22Å; Y37-K41 WeakPolarHBondContact O-CB 3.47Å; Y37-K41 PolarHBondContact O-N 2.86Å |
| 38 | H | 94.6 | Very high | 94.8 | Very high | 107 Ų | 107 | 68.7 Ų | 68.7 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 179.3 | -65.8 | -48.8 | 0 | 0 | 0 | 112.4 | I34 T35 E36 L42 | I34-H38 HydrophobicContact CG2-CB 3.96Å; T35-H38 PolarHBondContact O-N 2.74Å; T35-H38 PolarHBondContact OG1-CD2 3.04Å; E36-H38 VanDerWaalsContact C-N 3.31Å; E36-H38 PolarHBondContact O-N 2.81Å; H38-L42 WeakPolarHBondContact O-CB 3.44Å; H38-L42 PolarHBondContact O-N 3.48Å; H38-L42 VanDerWaalsContact O-N 3.08Å |
| 39 | L | 95.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.9 | -46.6 | 178.9 | -69.2 | 165.6 | 0 | 0 | 0 | 111.2 | I30 I34 T35 E36 Y37 K41 L42 L43 F52 F54 | I30-L39 HydrophobicContact CD1-CD1 3.8Å; I30-L39 HydrophobicContact CD1-CD2 4.36Å; I30-L39 HydrophobicContact CG2-CD1 4.3Å; I34-L39 HydrophobicContact CG2-CD1 4.22Å; I34-L39 HydrophobicContact CG2-CD2 4.1Å; I34-L39 HydrophobicContact CG2-CG 3.77Å; T35-L39 PolarHBondContact O-N 3.48Å; E36-L39 PolarHBondContact O-N 2.81Å; E36-L39 VanDerWaalsContact O-N 3.07Å; Y37-L39 VanDerWaalsContact C-N 3.33Å; Y37-L39 PolarHBondContact O-N 3.22Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.2Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.04Å; L39-L42 VanDerWaalsContact O-N 3.14Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CD1 3.19Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.05Å; L39-F52 HydrophobicContact CB-CE2 4.1Å; L39-F52 HydrophobicContact CB-CZ 3.79Å; L39-F52 HydrophobicContact CD1-CZ 4.15Å; L39-F54 HydrophobicContact CD1-CD2 3.7Å; L39-F54 HydrophobicContact CD1-CE2 3.49Å; L39-F54 VanDerWaalsContact CD1-CE2 3.49Å |
| 40 | V | 95.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 71.8 Ų | 71.8 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | E36 L42 L43 E44 F52 | E36-V40 HydrophobicContact CG-CG2 4.23Å; E36-V40 WeakPolarHBondContact O-CG2 3.33Å; E36-V40 PolarHBondContact O-N 3.31Å; V40-L42 VanDerWaalsContact C-N 3.25Å; V40-L42 PolarHBondContact O-N 2.96Å; V40-L43 PolarHBondContact O-N 2.87Å; V40-L43 VanDerWaalsContact O-N 3.1Å; V40-E44 HydrophobicContact CG1-CG 4.4Å; V40-E44 WeakPolarHBondContact O-CG 3.1Å; V40-E44 PolarHBondContact O-N 3.43Å; V40-F52 HydrophobicContact CG2-CD1 3.81Å; V40-F52 HydrophobicContact CG2-CD2 4.17Å; V40-F52 HydrophobicContact CG2-CE1 3.9Å; V40-F52 HydrophobicContact CG2-CE2 4.25Å; V40-F52 HydrophobicContact CG2-CG 3.95Å; V40-F52 HydrophobicContact CG2-CZ 4.12Å |
| 41 | K | 95 | Very high | 94.3 | Very high | 107 Ų | 107 | 75.9 Ų | 75.9 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -32 | -180 | -165.2 | 64.9 | -172.4 | 165.9 | 0 | 113.7 | Y37 L39 E44 | Y37-K41 WeakPolarHBondContact O-CB 3.47Å; Y37-K41 PolarHBondContact O-N 2.86Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.2Å; K41-E44 WeakPolarHBondContact CD-OE2 3.09Å; K41-E44 IonicContact NZ-OE2 2.82Å; K41-E44 PolarHBondContact NZ-OE2 3.09Å |
| 42 | L | 94.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 77 Ų | 77 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.7 | -41.6 | 174.9 | -177.8 | 61.2 | 0 | 0 | 0 | 111.4 | H38 L39 V40 K45 F46 L87 L97 | H38-L42 WeakPolarHBondContact O-CB 3.44Å; H38-L42 PolarHBondContact O-N 3.48Å; H38-L42 VanDerWaalsContact O-N 3.08Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.04Å; L39-L42 VanDerWaalsContact O-N 3.14Å; V40-L42 VanDerWaalsContact C-N 3.25Å; V40-L42 PolarHBondContact O-N 2.96Å; L42-K45 WeakPolarHBondContact O-CB 3.45Å; L42-K45 PolarHBondContact O-N 3.22Å; L42-F46 HydrophobicContact CD1-CE2 4.43Å; L42-F46 HydrophobicContact CG-CE2 4.44Å; L42-F46 WeakPolarHBondContact O-CD2 3.47Å; L42-F46 VanDerWaalsContact O-CE2 3.26Å; L42-F46 WeakPolarHBondContact O-CE2 3.48Å; L42-L87 HydrophobicContact CD1-CD2 4.19Å; L42-L87 HydrophobicContact CD2-CD2 3.74Å; L42-L87 HydrophobicContact CG-CD2 3.92Å; L42-L97 HydrophobicContact CD2-CD1 4.27Å |
| 43 | L | 95.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.4 | -34.4 | -176.4 | -68.9 | 163.9 | 0 | 0 | 0 | 112.8 | I27 L39 V40 K45 F46 V49 F52 V72 F74 L87 | I27-L43 HydrophobicContact CD1-CD1 3.9Å; I27-L43 HydrophobicContact CD1-CD2 3.68Å; I27-L43 HydrophobicContact CD1-CG 4.36Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CD1 3.19Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.05Å; V40-L43 PolarHBondContact O-N 2.87Å; V40-L43 VanDerWaalsContact O-N 3.1Å; L43-K45 PolarHBondContact O-N 3.43Å; L43-F46 PolarHBondContact O-N 3.41Å; L43-V49 HydrophobicContact CB-CG2 4.08Å; L43-F52 HydrophobicContact CD1-CD2 4.02Å; L43-F52 HydrophobicContact CD1-CE2 3.67Å; L43-V72 HydrophobicContact CD1-CB 4.21Å; L43-V72 HydrophobicContact CD1-CG1 4.37Å; L43-V72 HydrophobicContact CD1-CG2 4.1Å; L43-V72 HydrophobicContact CD2-CG1 4.42Å; L43-F74 HydrophobicContact CB-CZ 4.25Å; L43-F74 HydrophobicContact CD2-CE2 4.36Å; L43-F74 HydrophobicContact CD2-CZ 3.85Å; L43-L87 HydrophobicContact CD2-CD1 3.68Å |
| 44 | E | 94.8 | Very high | 94.4 | Very high | 102 Ų | 102 | 68.9 Ų | 68.9 | 48% | 0.477 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25.2 | 173.3 | -80 | 179.2 | 175 | 0 | 0 | 113.4 | V40 K41 F46 | V40-E44 HydrophobicContact CG1-CG 4.4Å; V40-E44 WeakPolarHBondContact O-CG 3.1Å; V40-E44 PolarHBondContact O-N 3.43Å; K41-E44 WeakPolarHBondContact CD-OE2 3.09Å; K41-E44 IonicContact NZ-OE2 2.82Å; K41-E44 PolarHBondContact NZ-OE2 3.09Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.45Å |
| 45 | K | 95.3 | Very high | 94.4 | Very high | 162 Ų | 162 | 70.9 Ų | 70.9 | 70% | 0.704 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.9 | 179 | -60.3 | -175.5 | 178.5 | -173.7 | 0 | 113.6 | L42 L43 | L42-K45 WeakPolarHBondContact O-CB 3.45Å; L42-K45 PolarHBondContact O-N 3.22Å; L43-K45 PolarHBondContact O-N 3.43Å |
| 46 | F | 94.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 72.2 Ų | 72.2 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -26.4 | -174.5 | -58.4 | -75.5 | 0 | 0 | 0 | 112.9 | L42 L43 E44 R82 A83 C86 L87 | L42-F46 HydrophobicContact CD1-CE2 4.43Å; L42-F46 HydrophobicContact CG-CE2 4.44Å; L42-F46 WeakPolarHBondContact O-CD2 3.47Å; L42-F46 VanDerWaalsContact O-CE2 3.26Å; L42-F46 WeakPolarHBondContact O-CE2 3.48Å; L43-F46 PolarHBondContact O-N 3.41Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.45Å; F46-R82 PolarHBondContact O-NH2 3.35Å; F46-R82 VanDerWaalsContact O-NH2 3.15Å; F46-A83 HydrophobicContact CB-CB 4.02Å; F46-A83 HydrophobicContact CD2-CB 4.47Å; F46-A83 HydrophobicContact CG-CB 4.18Å; F46-C86 HydrophobicContact CD1-CB 4.1Å; F46-C86 HydrophobicContact CE1-CB 3.31Å; F46-C86 HydrophobicContact CZ-CB 3.87Å; F46-L87 HydrophobicContact CD2-CD1 4.05Å; F46-L87 HydrophobicContact CD2-CG 4.37Å; F46-L87 HydrophobicContact CE2-CD1 3.7Å; F46-L87 HydrophobicContact CE2-CD2 3.62Å; F46-L87 HydrophobicContact CE2-CG 3.64Å; F46-L87 HydrophobicContact CZ-CD1 4.39Å; F46-L87 HydrophobicContact CZ-CD2 3.74Å; F46-L87 HydrophobicContact CZ-CG 3.84Å |
| 47 | G | 93.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 69.7 Ų | 69.7 | 13% | 0.134 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 175.4 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E79 | G47-E79 VanDerWaalsContact CA-CD 3.4Å; G47-E79 WeakPolarHBondContact CA-OE1 3.04Å |
| 48 | K | 95.2 | Very high | 94.4 | Very high | 155 Ų | 155 | 70.1 Ų | 70.1 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | trans | -81.4 | 120.9 | 177.7 | -174 | 178.1 | -178.6 | -177.6 | 0 | 110.4 | S75 E79 | K48-S75 PolarHBondContact O-N 3.28Å; K48-E79 PolarHBondContact N-OE1 3.01Å; K48-E79 PolarHBondContact N-OE2 3.21Å | ||
| 49 | V | 94.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 69.4 Ų | 69.4 | 24% | 0.242 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 121.2 | 177.5 | 179 | 0 | 0 | 0 | 0 | 110 | L43 Q51 F52 V72 F74 | L43-V49 HydrophobicContact CB-CG2 4.08Å; V49-Q51 WeakPolarHBondContact CG1-O 3.37Å; V49-F52 HydrophobicContact CG1-CB 4.1Å; V49-V72 HydrophobicContact CB-CG2 4.42Å; V49-V72 HydrophobicContact CG1-CG2 3.68Å; V49-V72 HydrophobicContact CG2-CG2 3.97Å; V49-F74 HydrophobicContact CG2-CD1 4.42Å; V49-F74 HydrophobicContact CG2-CE1 3.99Å |
| 50 | K | 92.8 | Very high | 94.4 | Very high | 102 Ų | 102 | 71.4 Ų | 71.4 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -43 | 173.7 | -79.7 | -176.2 | 169.2 | 174.5 | 0 | 111.7 | E16 N73 | E16-K50 IonicContact OE1-NZ 3.66Å; E16-K50 PolarHBondContact OE1-NZ 3.29Å; K50-N73 PolarHBondContact N-O 3.14Å |
| 51 | Q | 91.8 | Very high | 94.3 | Very high | 89 Ų | 89 | 76.3 Ų | 76.3 | 42% | 0.416 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142.8 | -179.5 | -172.7 | -178.5 | 9.8 | 0 | 0 | 110 | V49 D53 V72 N73 | V49-Q51 WeakPolarHBondContact CG1-O 3.37Å; Q51-D53 PolarHBondContact NE2-OD1 3.03Å; Q51-D53 VanDerWaalsContact NE2-OD1 3.1Å; Q51-V72 WeakPolarHBondContact O-CA 3.37Å; Q51-N73 HydrophobicContact CB-CB 3.87Å; Q51-N73 PolarHBondContact N-O 3.39Å; Q51-N73 PolarHBondContact O-N 3.1Å |
| 52 | F | 94.6 | Very high | 94.3 | Very high | 33 Ų | 33 | 75 Ų | 75 | 15% | 0.145 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 122.1 | 176.3 | -176 | -97.3 | 0 | 0 | 0 | 109.4 | E36 L39 V40 L43 V49 F54 C70 V72 | E36-F52 HydrophobicContact CB-CE1 3.99Å; E36-F52 HydrophobicContact CG-CD1 4.06Å; E36-F52 HydrophobicContact CG-CE1 3.53Å; E36-F52 VanDerWaalsContact OE1-CD1 3.28Å; E36-F52 WeakPolarHBondContact OE1-CD1 3.5Å; L39-F52 HydrophobicContact CB-CE2 4.1Å; L39-F52 HydrophobicContact CB-CZ 3.79Å; L39-F52 HydrophobicContact CD1-CZ 4.15Å; V40-F52 HydrophobicContact CG2-CD1 3.81Å; V40-F52 HydrophobicContact CG2-CD2 4.17Å; V40-F52 HydrophobicContact CG2-CE1 3.9Å; V40-F52 HydrophobicContact CG2-CE2 4.25Å; V40-F52 HydrophobicContact CG2-CG 3.95Å; V40-F52 HydrophobicContact CG2-CZ 4.12Å; L43-F52 HydrophobicContact CD1-CD2 4.02Å; L43-F52 HydrophobicContact CD1-CE2 3.67Å; V49-F52 HydrophobicContact CG1-CB 4.1Å; F52-F54 HydrophobicContact CD1-CB 4.45Å; F52-F54 HydrophobicContact CE1-CB 3.69Å; F52-F54 HydrophobicContact CE1-CD2 4.46Å; F52-F54 HydrophobicContact CE1-CG 4.45Å; F52-F54 HydrophobicContact CZ-CB 4.27Å; F52-F54 HydrophobicContact CZ-CD2 4.3Å; F52-C70 HydrophobicContact CE2-CB 4.32Å; F52-C70 HydrophobicContact CZ-CB 4.18Å; F52-V72 HydrophobicContact CD2-CB 4.23Å; F52-V72 HydrophobicContact CD2-CG2 4.35Å |
| 53 | D | 94.2 | Very high | 94.3 | Very high | 45 Ų | 45 | 78.5 Ų | 78.5 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 108.9 | 179.4 | -51.7 | -45.5 | 0 | 0 | 0 | 109.3 | R24 Q51 L55 C70 F71 | R24-D53 IonicContact CZ-OD2 3.5Å; R24-D53 IonicContact NH2-OD2 2.91Å; R24-D53 PolarHBondContact NH2-OD2 2.99Å; Q51-D53 PolarHBondContact NE2-OD1 3.03Å; Q51-D53 VanDerWaalsContact NE2-OD1 3.1Å; D53-L55 HydrophobicContact CB-CD1 4.22Å; D53-C70 CarbonylContact O-C 3.53Å; D53-C70 WeakPolarHBondContact O-CA 3.42Å; D53-C70 WeakPolarHBondContact O-CB 3.18Å; D53-F71 HydrophobicContact CB-CB 4.26Å; D53-F71 PolarHBondContact N-O 3.27Å; D53-F71 PolarHBondContact O-N 3.04Å |
| 54 | F | 95.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 81 Ų | 81 | 11% | 0.11 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.5 | 174.5 | -169.7 | -98.6 | 0 | 0 | 0 | 110.3 | I30 E36 L39 F52 F56 P66 C70 | I30-F54 HydrophobicContact CD1-CE2 4.42Å; E36-F54 HydrophobicContact CB-CB 4.33Å; E36-F54 HydrophobicContact CB-CD1 4.44Å; E36-F54 HydrophobicContact CB-CG 4.27Å; L39-F54 HydrophobicContact CD1-CD2 3.7Å; L39-F54 HydrophobicContact CD1-CE2 3.49Å; L39-F54 VanDerWaalsContact CD1-CE2 3.49Å; F52-F54 HydrophobicContact CD1-CB 4.45Å; F52-F54 HydrophobicContact CE1-CB 3.69Å; F52-F54 HydrophobicContact CE1-CD2 4.46Å; F52-F54 HydrophobicContact CE1-CG 4.45Å; F52-F54 HydrophobicContact CZ-CB 4.27Å; F52-F54 HydrophobicContact CZ-CD2 4.3Å; F54-F56 HydrophobicContact CD1-CD2 4.28Å; F54-F56 AromaticContact CD1-CE1 3.98Å; F54-F56 HydrophobicContact CD1-CE1 3.98Å; F54-F56 AromaticContact CD1-CE2 3.53Å; F54-F56 HydrophobicContact CD1-CE2 3.53Å; F54-F56 AromaticContact CD1-CZ 3.35Å; F54-F56 HydrophobicContact CD1-CZ 3.35Å; F54-F56 HydrophobicContact CE1-CD1 4.44Å; F54-F56 AromaticContact CE1-CE1 3.68Å; F54-F56 HydrophobicContact CE1-CE1 3.68Å; F54-F56 HydrophobicContact CE1-CE2 4.12Å; F54-F56 AromaticContact CE1-CZ 3.5Å; F54-F56 HydrophobicContact CE1-CZ 3.5Å; F54-P66 HydrophobicContact CE1-CB 3.66Å; F54-P66 HydrophobicContact CZ-CB 3.63Å; F54-C70 HydrophobicContact CB-CB 4.41Å; F54-C70 HydrophobicContact CD2-CB 3.79Å |
| 55 | L | 93.9 | Very high | 94.1 | Very high | 56 Ų | 56 | 80.9 Ų | 80.9 | 29% | 0.293 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 136.5 | -168.3 | -75.7 | 83.7 | 0 | 0 | 0 | 112 | D53 R67 Y69 F71 | D53-L55 HydrophobicContact CB-CD1 4.22Å; L55-R67 HydrophobicContact CB-CB 4.23Å; L55-R67 WeakPolarHBondContact O-CB 3.36Å; L55-R67 PolarHBondContact O-N 3.39Å; L55-Y69 HydrophobicContact CB-CE2 4.11Å; L55-Y69 HydrophobicContact CD1-CD2 4.37Å; L55-Y69 HydrophobicContact CD1-CE2 3.95Å; L55-Y69 HydrophobicContact CD2-CE2 3.74Å; L55-Y69 HydrophobicContact CG-CE2 4.14Å; L55-F71 HydrophobicContact CD1-CD2 3.7Å; L55-F71 HydrophobicContact CD1-CE2 3.96Å |
| 56 | F | 94.6 | Very high | 94.1 | Very high | 98 Ų | 98 | 74.6 Ų | 74.6 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 155.2 | 174 | -60.8 | -90.6 | 0 | 0 | 0 | 110.8 | F54 K58 G64 Q65 P66 | F54-F56 HydrophobicContact CD1-CD2 4.28Å; F54-F56 AromaticContact CD1-CE1 3.98Å; F54-F56 HydrophobicContact CD1-CE1 3.98Å; F54-F56 AromaticContact CD1-CE2 3.53Å; F54-F56 HydrophobicContact CD1-CE2 3.53Å; F54-F56 AromaticContact CD1-CZ 3.35Å; F54-F56 HydrophobicContact CD1-CZ 3.35Å; F54-F56 HydrophobicContact CE1-CD1 4.44Å; F54-F56 AromaticContact CE1-CE1 3.68Å; F54-F56 HydrophobicContact CE1-CE1 3.68Å; F54-F56 HydrophobicContact CE1-CE2 4.12Å; F54-F56 AromaticContact CE1-CZ 3.5Å; F54-F56 HydrophobicContact CE1-CZ 3.5Å; F56-K58 PolarHBondContact O-N 3.24Å; F56-G64 WeakPolarHBondContact CD1-O 3.35Å; F56-Q65 WeakPolarHBondContact CA-O 3.37Å; F56-P66 HydrophobicContact CD1-CB 4.35Å; F56-P66 HydrophobicContact CE1-CB 4.3Å |
| 57 | H | 93.9 | Very high | 94.1 | Very high | 35 Ų | 35 | 79.2 Ų | 79.2 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | trans | -64 | 119.5 | 168.4 | -74 | -101.9 | 0 | 0 | 0 | 109.6 | L62 E63 G64 Q65 R67 | H57-L62 HydrophobicContact CB-CB 4.34Å; H57-L62 WeakPolarHBondContact CB-O 3.39Å; H57-E63 WeakPolarHBondContact O-CA 3.39Å; H57-G64 PolarHBondContact O-N 3.27Å; H57-Q65 PolarHBondContact CD2-O 3.43Å; H57-Q65 PolarHBondContact N-O 2.8Å; H57-R67 VanDerWaalsContact CE1-CD 3.46Å; H57-R67 WeakPolarHBondContact CE1-CD 3.26Å; H57-R67 PolarHBondContact CE1-NH1 2.98Å; H57-R67 PolarHBondContact ND1-NH1 2.91Å; H57-R67 WeakPolarHBondContact NE2-CD 3.35Å | ||
| 58 | K | 93.7 | Very high | 94.1 | Very high | 170 Ų | 170 | 79.4 Ų | 79.4 | 74% | 0.739 | 42% | 0.42 | S | S | * | . | trans | -84.4 | -12.6 | -179.6 | -61.6 | -174.4 | 178.4 | -176.4 | 0 | 114 | F56 | F56-K58 PolarHBondContact O-N 3.24Š| ||
| 59 | S | 94.3 | Very high | 94.2 | Very high | 91 Ų | 91 | 75.1 Ų | 75.1 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -158.8 | 158.8 | -175.8 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 60 | G | 95.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 73.2 Ų | 73.2 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 91.7 | -170.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | L62 E63 | G60-L62 PolarHBondContact O-N 2.81Å; G60-E63 VanDerWaalsContact O-CB 3.31Å; G60-E63 WeakPolarHBondContact O-CB 3.46Å; G60-E63 PolarHBondContact O-N 3.24Å |
| 61 | P | 94.9 | Very high | 94.4 | Very high | 142 Ų | 142 | 70.5 Ų | 70.5 | 92% | 0.922 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.9 | -173.1 | -23.4 | 33.6 | 0 | 0 | 0 | 115 | ||
| 62 | L | 93.3 | Very high | 94.6 | Very high | 79 Ų | 79 | 66.3 Ų | 66.3 | 41% | 0.414 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 12.5 | -179.3 | -56.9 | 177.2 | 0 | 0 | 0 | 112.1 | H57 G60 G64 Q65 | H57-L62 HydrophobicContact CB-CB 4.34Å; H57-L62 WeakPolarHBondContact CB-O 3.39Å; G60-L62 PolarHBondContact O-N 2.81Å; L62-G64 PolarHBondContact O-N 2.77Å; L62-Q65 HydrophobicContact CB-CB 4.48Å; L62-Q65 WeakPolarHBondContact O-CB 3.38Å; L62-Q65 WeakPolarHBondContact O-CG 3.3Å; L62-Q65 PolarHBondContact O-N 2.83Å |
| 63 | E | 95.3 | Very high | 94.5 | Very high | 130 Ų | 130 | 65.2 Ų | 65.2 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 136 | -179.6 | -174.4 | 173.6 | 166.4 | 0 | 0 | 112.1 | H57 G60 Q65 | H57-E63 WeakPolarHBondContact O-CA 3.39Å; G60-E63 VanDerWaalsContact O-CB 3.31Å; G60-E63 WeakPolarHBondContact O-CB 3.46Å; G60-E63 PolarHBondContact O-N 3.24Å; E63-Q65 PolarHBondContact O-N 2.99Å |
| 64 | G | 91.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 63 Ų | 63 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -9.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F56 H57 L62 | F56-G64 WeakPolarHBondContact CD1-O 3.35Å; H57-G64 PolarHBondContact O-N 3.27Å; L62-G64 PolarHBondContact O-N 2.77Å |
| 65 | Q | 93.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 63.7 Ų | 63.7 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -80.1 | 147.9 | 173.6 | -61.7 | -168.7 | 7.3 | 0 | 0 | 111.8 | F56 H57 L62 E63 R67 | F56-Q65 WeakPolarHBondContact CA-O 3.37Å; H57-Q65 PolarHBondContact CD2-O 3.43Å; H57-Q65 PolarHBondContact N-O 2.8Å; L62-Q65 HydrophobicContact CB-CB 4.48Å; L62-Q65 WeakPolarHBondContact O-CB 3.38Å; L62-Q65 WeakPolarHBondContact O-CG 3.3Å; L62-Q65 PolarHBondContact O-N 2.83Å; E63-Q65 PolarHBondContact O-N 2.99Å; Q65-R67 PolarHBondContact O-N 2.92Å |
| 66 | P | 94.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 20% | 0.201 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 134.5 | 176.5 | 25.9 | -34.5 | 0 | 0 | 0 | 110.7 | P32 F54 F56 G68 | P32-P66 HydrophobicContact CB-CG 3.94Å; F54-P66 HydrophobicContact CE1-CB 3.66Å; F54-P66 HydrophobicContact CZ-CB 3.63Å; F56-P66 HydrophobicContact CD1-CB 4.35Å; F56-P66 HydrophobicContact CE1-CB 4.3Å; P66-G68 PolarHBondContact O-N 3.46Å |
| 67 | R | 94.4 | Very high | 94.3 | Very high | 131 Ų | 131 | 63.8 Ų | 63.8 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -9.5 | 179.9 | -166 | 63.7 | 175.6 | -153.8 | 1.2 | 112.7 | L55 H57 Q65 Y69 | L55-R67 HydrophobicContact CB-CB 4.23Å; L55-R67 WeakPolarHBondContact O-CB 3.36Å; L55-R67 PolarHBondContact O-N 3.39Å; H57-R67 VanDerWaalsContact CE1-CD 3.46Å; H57-R67 WeakPolarHBondContact CE1-CD 3.26Å; H57-R67 PolarHBondContact CE1-NH1 2.98Å; H57-R67 PolarHBondContact ND1-NH1 2.91Å; H57-R67 WeakPolarHBondContact NE2-CD 3.35Å; Q65-R67 PolarHBondContact O-N 2.92Å; R67-Y69 HydrophobicContact CB-CD1 4.23Å; R67-Y69 HydrophobicContact CB-CE1 3.98Å; R67-Y69 HydrophobicContact CG-CD1 3.76Å; R67-Y69 HydrophobicContact CG-CE1 3.15Å |
| 68 | G | 95 | Very high | 94.4 | Very high | 16 Ų | 16 | 67.1 Ų | 67.1 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.9 | 16 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N29 I30 P66 | N29-G68 PolarHBondContact N-O 3.23Å; I30-G68 PolarHBondContact N-O 2.78Å; P66-G68 PolarHBondContact O-N 3.46Å |
| 69 | Y | 95.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 26% | 0.255 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 159.3 | 170.8 | 67.1 | -97.4 | 0 | 0 | 0 | 111.8 | W26 I27 L55 R67 F71 | W26-Y69 AromaticContact NE1-CD2 3.58Å; W26-Y69 AromaticContact NE1-CG 3.61Å; I27-Y69 CarbonylContact O-C 3.51Å; I27-Y69 WeakPolarHBondContact O-CA 2.87Å; I27-Y69 VanDerWaalsContact O-CB 3.26Å; I27-Y69 WeakPolarHBondContact O-CB 3.48Å; L55-Y69 HydrophobicContact CB-CE2 4.11Å; L55-Y69 HydrophobicContact CD1-CD2 4.37Å; L55-Y69 HydrophobicContact CD1-CE2 3.95Å; L55-Y69 HydrophobicContact CD2-CE2 3.74Å; L55-Y69 HydrophobicContact CG-CE2 4.14Å; R67-Y69 HydrophobicContact CB-CD1 4.23Å; R67-Y69 HydrophobicContact CB-CE1 3.98Å; R67-Y69 HydrophobicContact CG-CD1 3.76Å; R67-Y69 HydrophobicContact CG-CE1 3.15Å; Y69-F71 HydrophobicContact CD2-CE2 4.04Å; Y69-F71 HydrophobicContact CD2-CZ 4.44Å; Y69-F71 AromaticContact CE2-CE2 3.71Å; Y69-F71 HydrophobicContact CE2-CE2 3.71Å; Y69-F71 HydrophobicContact CE2-CZ 4.23Å |
| 70 | C | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 165.4 | 173.7 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | I27 I30 F52 D53 F54 | I27-C70 PolarHBondContact N-O 3.5Å; I27-C70 PolarHBondContact O-N 3.01Å; I30-C70 HydrophobicContact CD1-CB 4.43Å; F52-C70 HydrophobicContact CE2-CB 4.32Å; F52-C70 HydrophobicContact CZ-CB 4.18Å; D53-C70 CarbonylContact O-C 3.53Å; D53-C70 WeakPolarHBondContact O-CA 3.42Å; D53-C70 WeakPolarHBondContact O-CB 3.18Å; F54-C70 HydrophobicContact CB-CB 4.41Å; F54-C70 HydrophobicContact CD2-CB 3.79Å |
| 71 | F | 95.6 | Very high | 94.5 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.6 | 169.6 | -61.1 | -84.9 | 0 | 0 | 0 | 109.7 | L25 W26 D53 L55 Y69 A102 | L25-F71 VanDerWaalsContact O-CA 3.32Å; L25-F71 WeakPolarHBondContact O-CA 3.4Å; W26-F71 HydrophobicContact CB-CD1 4.15Å; W26-F71 HydrophobicContact CB-CE1 4.02Å; W26-F71 AromaticContact CD1-CE1 3.48Å; W26-F71 VanDerWaalsContact CD1-CE1 3.48Å; W26-F71 AromaticContact CD1-CZ 3.72Å; W26-F71 HydrophobicContact CG-CE1 4.14Å; D53-F71 HydrophobicContact CB-CB 4.26Å; D53-F71 PolarHBondContact N-O 3.27Å; D53-F71 PolarHBondContact O-N 3.04Å; L55-F71 HydrophobicContact CD1-CD2 3.7Å; L55-F71 HydrophobicContact CD1-CE2 3.96Å; Y69-F71 HydrophobicContact CD2-CE2 4.04Å; Y69-F71 HydrophobicContact CD2-CZ 4.44Å; Y69-F71 AromaticContact CE2-CE2 3.71Å; Y69-F71 HydrophobicContact CE2-CE2 3.71Å; Y69-F71 HydrophobicContact CE2-CZ 4.23Å; F71-A102 HydrophobicContact CD1-CB 3.83Å; F71-A102 HydrophobicContact CE1-CB 4.1Å |
| 72 | V | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137 | 175.3 | 60.3 | 0 | 0 | 0 | 0 | 109 | R24 L25 I27 L43 V49 Q51 F52 F74 | R24-V72 CarbonylContact C-O 3.45Å; R24-V72 VanDerWaalsContact CA-O 3.3Å; R24-V72 WeakPolarHBondContact CA-O 3.38Å; R24-V72 WeakPolarHBondContact CG-O 3.38Å; L25-V72 HydrophobicContact CB-CG1 3.72Å; L25-V72 HydrophobicContact CD1-CG1 4.37Å; L25-V72 HydrophobicContact CG-CG1 4.29Å; L25-V72 PolarHBondContact N-O 3.47Å; L25-V72 PolarHBondContact O-N 2.87Å; I27-V72 HydrophobicContact CD1-CG1 3.75Å; I27-V72 HydrophobicContact CG1-CG1 4.44Å; L43-V72 HydrophobicContact CD1-CB 4.21Å; L43-V72 HydrophobicContact CD1-CG1 4.37Å; L43-V72 HydrophobicContact CD1-CG2 4.1Å; L43-V72 HydrophobicContact CD2-CG1 4.42Å; V49-V72 HydrophobicContact CB-CG2 4.42Å; V49-V72 HydrophobicContact CG1-CG2 3.68Å; V49-V72 HydrophobicContact CG2-CG2 3.97Å; Q51-V72 WeakPolarHBondContact O-CA 3.37Å; F52-V72 HydrophobicContact CD2-CB 4.23Å; F52-V72 HydrophobicContact CD2-CG2 4.35Å; V72-F74 HydrophobicContact CG1-CD2 4.3Å; V72-F74 HydrophobicContact CG1-CE2 3.73Å; V72-F74 HydrophobicContact CG2-CD2 4.25Å; V72-F74 HydrophobicContact CG2-CE2 3.92Å; V72-F74 HydrophobicContact CG2-CZ 4.18Å |
| 73 | N | 93.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.2 | 173.2 | -167.1 | 3.7 | 0 | 0 | 0 | 108.2 | H20 N23 K50 Q51 | H20-N73 PolarHBondContact CD2-ND2 2.91Å; H20-N73 PolarHBondContact NE2-ND2 3.34Å; N23-N73 PolarHBondContact O-OD1 3.32Å; K50-N73 PolarHBondContact N-O 3.14Å; Q51-N73 HydrophobicContact CB-CB 3.87Å; Q51-N73 PolarHBondContact N-O 3.39Å; Q51-N73 PolarHBondContact O-N 3.1Å |
| 74 | F | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 162.7 | 178 | -78.3 | -81 | 0 | 0 | 0 | 111.7 | N23 L25 L43 V49 V72 E79 A80 A83 | N23-F74 PolarHBondContact O-N 3.45Å; L25-F74 HydrophobicContact CD1-CD2 4.11Å; L25-F74 HydrophobicContact CD1-CE2 3.73Å; L25-F74 HydrophobicContact CG-CD2 4.35Å; L25-F74 HydrophobicContact CG-CE2 4.35Å; L43-F74 HydrophobicContact CB-CZ 4.25Å; L43-F74 HydrophobicContact CD2-CE2 4.36Å; L43-F74 HydrophobicContact CD2-CZ 3.85Å; V49-F74 HydrophobicContact CG2-CD1 4.42Å; V49-F74 HydrophobicContact CG2-CE1 3.99Å; V72-F74 HydrophobicContact CG1-CD2 4.3Å; V72-F74 HydrophobicContact CG1-CE2 3.73Å; V72-F74 HydrophobicContact CG2-CD2 4.25Å; V72-F74 HydrophobicContact CG2-CE2 3.92Å; V72-F74 HydrophobicContact CG2-CZ 4.18Å; F74-E79 HydrophobicContact CB-CB 4.1Å; F74-E79 HydrophobicContact CD1-CB 4.01Å; F74-E79 HydrophobicContact CG-CB 4.19Å; F74-A80 HydrophobicContact CB-CB 4.21Å; F74-A80 HydrophobicContact CD2-CB 3.84Å; F74-A80 HydrophobicContact CG-CB 4.32Å; F74-A83 HydrophobicContact CE2-CB 3.92Å; F74-A83 HydrophobicContact CZ-CB 3.94Å |
| 75 | S | 92.8 | Very high | 94.9 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -66.8 | -42 | 176.8 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | N23 K48 E79 | N23-S75 PolarHBondContact ND2-O 3.08Å; K48-S75 PolarHBondContact O-N 3.28Å; S75-E79 PolarHBondContact N-OE2 2.79Å |
| 76 | T | 92.6 | Very high | 95 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 31% | 0.307 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -124.9 | 161.7 | 177.6 | 88.2 | 0 | 0 | 0 | 0 | 112.4 | E78 E79 A80 | T76-E78 WeakPolarHBondContact CB-OE2 3.23Å; T76-E78 PolarHBondContact OG1-OE2 3.29Å; T76-E79 PolarHBondContact N-OE2 2.92Å; T76-E79 PolarHBondContact OG1-N 3.02Å; T76-A80 PolarHBondContact O-N 3.41Å |
| 77 | R | 93.2 | Very high | 95.1 | Very high | 107 Ų | 107 | 48.5 Ų | 48.5 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69 | -37 | 178.2 | 173.2 | 170.1 | -179.1 | 125.8 | 3.6 | 111.9 | G22 E79 A80 E81 W101 | G22-R77 WeakPolarHBondContact O-CG 3.48Å; R77-E79 VanDerWaalsContact C-N 3.3Å; R77-E79 PolarHBondContact O-N 3.26Å; R77-A80 WeakPolarHBondContact O-CA 3.34Å; R77-A80 WeakPolarHBondContact O-CB 3.35Å; R77-A80 PolarHBondContact O-N 2.99Å; R77-A80 VanDerWaalsContact O-N 3.09Å; R77-E81 HydrophobicContact CG-CG 4.38Å; R77-E81 IonicContact CZ-OE1 3.29Å; R77-E81 IonicContact NE-OE1 3.93Å; R77-E81 PolarHBondContact NE-OE1 2.9Å; R77-E81 IonicContact NH2-OE1 3.02Å; R77-E81 PolarHBondContact O-N 2.81Å; R77-W101 HydrophobicContact CG-CH2 4.27Å |
| 78 | E | 94.4 | Very high | 95.2 | Very high | 105 Ų | 105 | 46.2 Ų | 46.2 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.5 | -37.4 | -178.3 | -54.5 | 70.4 | -150.4 | 0 | 0 | 110.7 | T76 A80 E81 R82 | T76-E78 WeakPolarHBondContact CB-OE2 3.23Å; T76-E78 PolarHBondContact OG1-OE2 3.29Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-E81 PolarHBondContact O-N 2.78Å; E78-R82 WeakPolarHBondContact O-CG 3.48Å; E78-R82 PolarHBondContact O-N 2.83Å |
| 79 | E | 94.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 170.8 | -73.8 | 177.5 | 158.8 | 0 | 0 | 111.7 | G47 K48 F74 S75 T76 R77 R82 A83 | G47-E79 VanDerWaalsContact CA-CD 3.4Å; G47-E79 WeakPolarHBondContact CA-OE1 3.04Å; K48-E79 PolarHBondContact N-OE1 3.01Å; K48-E79 PolarHBondContact N-OE2 3.21Å; F74-E79 HydrophobicContact CB-CB 4.1Å; F74-E79 HydrophobicContact CD1-CB 4.01Å; F74-E79 HydrophobicContact CG-CB 4.19Å; S75-E79 PolarHBondContact N-OE2 2.79Å; T76-E79 PolarHBondContact N-OE2 2.92Å; T76-E79 PolarHBondContact OG1-N 3.02Å; R77-E79 VanDerWaalsContact C-N 3.3Å; R77-E79 PolarHBondContact O-N 3.26Å; E79-R82 PolarHBondContact O-N 2.99Å; E79-A83 PolarHBondContact O-N 2.86Å |
| 80 | A | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L25 F74 T76 R77 E78 A83 I84 W101 | L25-A80 HydrophobicContact CD1-CB 4.18Å; L25-A80 WeakPolarHBondContact CD1-O 3.36Å; L25-A80 HydrophobicContact CD2-CB 3.95Å; L25-A80 HydrophobicContact CG-CB 4.05Å; F74-A80 HydrophobicContact CB-CB 4.21Å; F74-A80 HydrophobicContact CD2-CB 3.84Å; F74-A80 HydrophobicContact CG-CB 4.32Å; T76-A80 PolarHBondContact O-N 3.41Å; R77-A80 WeakPolarHBondContact O-CA 3.34Å; R77-A80 WeakPolarHBondContact O-CB 3.35Å; R77-A80 PolarHBondContact O-N 2.99Å; R77-A80 VanDerWaalsContact O-N 3.09Å; E78-A80 VanDerWaalsContact C-N 3.34Å; A80-A83 WeakPolarHBondContact O-CB 3.36Å; A80-A83 PolarHBondContact O-N 2.94Å; A80-I84 WeakPolarHBondContact O-CG1 3.18Å; A80-I84 PolarHBondContact O-N 3.44Å; A80-W101 HydrophobicContact CB-CH2 4.03Å; A80-W101 HydrophobicContact CB-CZ3 3.78Å |
| 81 | E | 95.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 176.1 | -76.6 | 179.2 | -176.8 | 0 | 0 | 112 | R77 E78 A83 I84 Q85 W101 | R77-E81 HydrophobicContact CG-CG 4.38Å; R77-E81 IonicContact CZ-OE1 3.29Å; R77-E81 IonicContact NE-OE1 3.93Å; R77-E81 PolarHBondContact NE-OE1 2.9Å; R77-E81 IonicContact NH2-OE1 3.02Å; R77-E81 PolarHBondContact O-N 2.81Å; E78-E81 PolarHBondContact O-N 2.78Å; E81-A83 VanDerWaalsContact C-N 3.29Å; E81-A83 PolarHBondContact O-N 2.95Å; E81-I84 PolarHBondContact O-N 3.05Å; E81-Q85 WeakPolarHBondContact O-CG 3.2Å; E81-Q85 PolarHBondContact O-N 3.07Å; E81-W101 HydrophobicContact CG-CH2 3.56Å; E81-W101 HydrophobicContact CG-CZ2 3.5Å |
| 82 | R | 96.1 | Very high | 95 | Very high | 113 Ų | 113 | 54.3 Ų | 54.3 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 175.2 | -71.5 | -171.4 | -55.5 | -100.2 | 8.9 | 111.6 | F46 E78 E79 Q85 C86 | F46-R82 PolarHBondContact O-NH2 3.35Å; F46-R82 VanDerWaalsContact O-NH2 3.15Å; E78-R82 WeakPolarHBondContact O-CG 3.48Å; E78-R82 PolarHBondContact O-N 2.83Å; E79-R82 PolarHBondContact O-N 2.99Å; R82-Q85 PolarHBondContact O-N 3.18Å; R82-C86 VanDerWaalsContact O-CB 3.29Å; R82-C86 WeakPolarHBondContact O-CB 3.1Å; R82-C86 PolarHBondContact O-N 3.28Å; R82-C86 PolarHBondContact O-SG 2.83Å; R82-C86 VanDerWaalsContact O-SG 3.32Å |
| 83 | A | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L25 F46 F74 E79 A80 E81 C86 L87 | L25-A83 HydrophobicContact CD1-CB 3.89Å; F46-A83 HydrophobicContact CB-CB 4.02Å; F46-A83 HydrophobicContact CD2-CB 4.47Å; F46-A83 HydrophobicContact CG-CB 4.18Å; F74-A83 HydrophobicContact CE2-CB 3.92Å; F74-A83 HydrophobicContact CZ-CB 3.94Å; E79-A83 PolarHBondContact O-N 2.86Å; A80-A83 WeakPolarHBondContact O-CB 3.36Å; A80-A83 PolarHBondContact O-N 2.94Å; E81-A83 VanDerWaalsContact C-N 3.29Å; E81-A83 PolarHBondContact O-N 2.95Å; A83-C86 PolarHBondContact O-N 2.83Å; A83-L87 HydrophobicContact CB-CD1 4.45Å; A83-L87 WeakPolarHBondContact O-CB 3.48Å; A83-L87 WeakPolarHBondContact O-CG 3.44Å; A83-L87 PolarHBondContact O-N 3.3Å |
| 84 | I | 96.3 | Very high | 94.9 | Very high | 28 Ų | 28 | 63 Ų | 63 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.5 | -53.4 | 175.2 | -65.6 | 167.1 | 0 | 0 | 0 | 110.5 | L25 A80 E81 C86 N88 V99 W101 | L25-I84 HydrophobicContact CD1-CG1 3.91Å; L25-I84 HydrophobicContact CD2-CD1 3.51Å; L25-I84 HydrophobicContact CD2-CG1 3.62Å; L25-I84 HydrophobicContact CG-CG1 4.41Å; A80-I84 WeakPolarHBondContact O-CG1 3.18Å; A80-I84 PolarHBondContact O-N 3.44Å; E81-I84 PolarHBondContact O-N 3.05Å; I84-C86 VanDerWaalsContact C-N 3.26Å; I84-C86 PolarHBondContact O-N 3.45Å; I84-N88 WeakPolarHBondContact O-CB 3.28Å; I84-N88 PolarHBondContact O-N 3.08Å; I84-V99 HydrophobicContact CB-CG1 4.47Å; I84-V99 HydrophobicContact CG1-CG1 3.92Å; I84-W101 HydrophobicContact CD1-CD2 3.56Å; I84-W101 HydrophobicContact CD1-CE3 3.94Å; I84-W101 HydrophobicContact CD1-CG 4.16Å; I84-W101 HydrophobicContact CD1-CH2 3.85Å; I84-W101 HydrophobicContact CD1-CZ2 3.48Å; I84-W101 VanDerWaalsContact CD1-CZ2 3.48Å; I84-W101 HydrophobicContact CD1-CZ3 4.04Å |
| 85 | Q | 96.6 | Very high | 94.9 | Very high | 153 Ų | 153 | 66.9 Ų | 66.9 | 72% | 0.715 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.1 | -38.5 | -176 | -70.3 | 175.8 | 0.3 | 0 | 0 | 111.9 | E81 R82 | E81-Q85 WeakPolarHBondContact O-CG 3.2Å; E81-Q85 PolarHBondContact O-N 3.07Å; R82-Q85 PolarHBondContact O-N 3.18Å |
| 86 | C | 95.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -85.8 | -34.2 | -176.2 | -70.1 | 0 | 0 | 0 | 0 | 114 | F46 R82 A83 I84 K90 | F46-C86 HydrophobicContact CD1-CB 4.1Å; F46-C86 HydrophobicContact CE1-CB 3.31Å; F46-C86 HydrophobicContact CZ-CB 3.87Å; R82-C86 VanDerWaalsContact O-CB 3.29Å; R82-C86 WeakPolarHBondContact O-CB 3.1Å; R82-C86 PolarHBondContact O-N 3.28Å; R82-C86 PolarHBondContact O-SG 2.83Å; R82-C86 VanDerWaalsContact O-SG 3.32Å; A83-C86 PolarHBondContact O-N 2.83Å; I84-C86 VanDerWaalsContact C-N 3.26Å; I84-C86 PolarHBondContact O-N 3.45Å; C86-K90 WeakPolarHBondContact O-CD 3.23Å; C86-K90 WeakPolarHBondContact O-CE 3.46Å; C86-K90 WeakPolarHBondContact O-CG 3.32Å; C86-K90 PolarHBondContact O-NZ 2.82Å |
| 87 | L | 95.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -97.8 | -26.7 | -171.7 | -68.4 | 176.6 | 0 | 0 | 0 | 113.5 | L42 L43 F46 A83 G89 K90 V99 | L42-L87 HydrophobicContact CD1-CD2 4.19Å; L42-L87 HydrophobicContact CD2-CD2 3.74Å; L42-L87 HydrophobicContact CG-CD2 3.92Å; L43-L87 HydrophobicContact CD2-CD1 3.68Å; F46-L87 HydrophobicContact CD2-CD1 4.05Å; F46-L87 HydrophobicContact CD2-CG 4.37Å; F46-L87 HydrophobicContact CE2-CD1 3.7Å; F46-L87 HydrophobicContact CE2-CD2 3.62Å; F46-L87 HydrophobicContact CE2-CG 3.64Å; F46-L87 HydrophobicContact CZ-CD1 4.39Å; F46-L87 HydrophobicContact CZ-CD2 3.74Å; F46-L87 HydrophobicContact CZ-CG 3.84Å; A83-L87 HydrophobicContact CB-CD1 4.45Å; A83-L87 WeakPolarHBondContact O-CB 3.48Å; A83-L87 WeakPolarHBondContact O-CG 3.44Å; A83-L87 PolarHBondContact O-N 3.3Å; L87-G89 PolarHBondContact O-N 2.95Å; L87-K90 WeakPolarHBondContact O-CB 3.45Å; L87-K90 PolarHBondContact O-N 3.27Å; L87-V99 HydrophobicContact CB-CG2 3.73Å |
| 88 | N | 97.3 | Very high | 95.5 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 123.5 | 179.7 | -172.4 | 37 | 0 | 0 | 0 | 110.5 | I84 K90 V99 | I84-N88 WeakPolarHBondContact O-CB 3.28Å; I84-N88 PolarHBondContact O-N 3.08Å; N88-K90 VanDerWaalsContact C-N 3.31Å; N88-K90 PolarHBondContact O-N 2.93Å; N88-V99 HydrophobicContact CB-CB 4.19Å; N88-V99 PolarHBondContact OD1-N 3.25Å |
| 89 | G | 96.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 61 Ų | 61 | 44% | 0.443 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -3.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L87 L97 | L87-G89 PolarHBondContact O-N 2.95Å; G89-L97 WeakPolarHBondContact CA-O 3.39Å; G89-L97 PolarHBondContact N-O 3.1Å |
| 90 | K | 95.1 | Very high | 95.6 | Very high | 113 Ų | 113 | 67.2 Ų | 67.2 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | trans | -70.8 | 139 | 176.4 | -81.2 | -162.3 | 173.5 | 168 | 0 | 111.9 | C86 L87 N88 A92 K96 L97 | C86-K90 WeakPolarHBondContact O-CD 3.23Å; C86-K90 WeakPolarHBondContact O-CE 3.46Å; C86-K90 WeakPolarHBondContact O-CG 3.32Å; C86-K90 PolarHBondContact O-NZ 2.82Å; L87-K90 WeakPolarHBondContact O-CB 3.45Å; L87-K90 PolarHBondContact O-N 3.27Å; N88-K90 VanDerWaalsContact C-N 3.31Å; N88-K90 PolarHBondContact O-N 2.93Å; K90-A92 PolarHBondContact O-N 3.1Å; K90-K96 CarbonylContact O-C 3.53Å; K90-K96 WeakPolarHBondContact O-CA 3.26Å; K90-L97 PolarHBondContact O-N 3.2Å | ||
| 91 | L | 95.4 | Very high | 95.6 | Very high | 123 Ų | 123 | 71.7 Ų | 71.7 | 64% | 0.644 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 122.5 | 176.3 | -164.4 | 78.9 | 0 | 0 | 0 | 109.9 | K96 | L91-K96 HydrophobicContact CD1-CG 3.87Å |
| 92 | A | 92.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 68.8 Ų | 68.8 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 106.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | I34 K90 S94 K95 L97 | I34-A92 HydrophobicContact CD1-CB 3.58Å; K90-A92 PolarHBondContact O-N 3.1Å; A92-S94 PolarHBondContact O-N 3.1Å; A92-K95 CarbonylContact C-O 3.58Å; A92-K95 PolarHBondContact N-O 2.95Å; A92-K95 PolarHBondContact O-N 3.4Å; A92-K95 VanDerWaalsContact O-O 3.07Å; A92-L97 HydrophobicContact CB-CD1 3.91Å; A92-L97 HydrophobicContact CB-CD2 3.82Å; A92-L97 HydrophobicContact CB-CG 3.71Å |
| 93 | L | 92 | Very high | 94.9 | Very high | 103 Ų | 103 | 71.6 Ų | 71.6 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -116.4 | -168.1 | -55.1 | -179.3 | 0 | 0 | 0 | 111.4 | D31 K33 I34 | D31-L93 HydrophobicContact CB-CB 4.28Å; D31-L93 HydrophobicContact CB-CD1 4.43Å; K33-L93 HydrophobicContact CB-CD1 3.75Å; I34-L93 HydrophobicContact CD1-CD1 4.25Å; I34-L93 HydrophobicContact CD1-CG 4.21Å; I34-L93 HydrophobicContact CG1-CD1 3.52Å; I34-L93 HydrophobicContact CG1-CG 3.97Å |
| 94 | S | 94.2 | Very high | 93.6 | Very high | 90 Ų | 90 | 73.5 Ų | 73.5 | 63% | 0.629 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6.3 | -174.1 | -23.3 | 0 | 0 | 0 | 0 | 113.2 | D31 A92 | D31-S94 VanDerWaalsContact OD2-CB 3.23Å; D31-S94 WeakPolarHBondContact OD2-CB 3.2Å; D31-S94 PolarHBondContact OD2-N 2.9Å; D31-S94 PolarHBondContact OD2-OG 3Å; A92-S94 PolarHBondContact O-N 3.1Å |
| 95 | K | 95.2 | Very high | 92.1 | Very high | 80 Ų | 80 | 80.1 Ų | 80.1 | 35% | 0.348 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.5 | -172 | -64.4 | -170.3 | 179.3 | -179.2 | 0 | 112.2 | N29 D31 A92 | N29-K95 WeakPolarHBondContact O-CB 3.19Å; D31-K95 HydrophobicContact CB-CB 4.45Å; D31-K95 HydrophobicContact CB-CD 4.39Å; D31-K95 HydrophobicContact CB-CG 4.33Å; A92-K95 CarbonylContact C-O 3.58Å; A92-K95 PolarHBondContact N-O 2.95Å; A92-K95 PolarHBondContact O-N 3.4Å; A92-K95 VanDerWaalsContact O-O 3.07Å |
| 96 | K | 97 | Very high | 90.2 | Very high | 132 Ų | 132 | 82.3 Ų | 82.3 | 57% | 0.574 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.5 | 171.6 | -65.7 | -177.5 | -179.4 | 179.6 | 0 | 109.9 | N29 K90 L91 | N29-K96 PolarHBondContact ND2-O 2.82Å; K90-K96 CarbonylContact O-C 3.53Å; K90-K96 WeakPolarHBondContact O-CA 3.26Å; L91-K96 HydrophobicContact CD1-CG 3.87Å |
| 97 | L | 97.2 | Very high | 88.1 | Confident | 3 Ų | 3 | 87.4 Ų | 87.4 | 2% | 0.016 | 43% | 0.426 | C | S | . | . | trans | -66 | 142.9 | 176.6 | -60.9 | 180 | 0 | 0 | 0 | 110.4 | I30 L42 G89 K90 A92 | I30-L97 HydrophobicContact CG1-CD2 4.13Å; L42-L97 HydrophobicContact CD2-CD1 4.27Å; G89-L97 WeakPolarHBondContact CA-O 3.39Å; G89-L97 PolarHBondContact N-O 3.1Å; K90-L97 PolarHBondContact O-N 3.2Å; A92-L97 HydrophobicContact CB-CD1 3.91Å; A92-L97 HydrophobicContact CB-CD2 3.82Å; A92-L97 HydrophobicContact CB-CG 3.71Å | ||
| 98 | V | 97.4 | Very high | 85.8 | Confident | 38 Ų | 38 | 94.7 Ų | 94.7 | 23% | 0.23 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.7 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | W26 I27 G28 N29 R100 | W26-V98 HydrophobicContact CZ3-CB 4.08Å; W26-V98 HydrophobicContact CZ3-CG1 3.86Å; I27-V98 CarbonylContact C-O 3.56Å; I27-V98 WeakPolarHBondContact CA-O 3.34Å; G28-V98 PolarHBondContact N-O 2.83Å; G28-V98 PolarHBondContact O-N 3.46Å; N29-V98 HydrophobicContact CB-CG2 4.06Å; V98-R100 HydrophobicContact CG1-CG 4.31Å |
| 99 | V | 96.8 | Very high | 83.2 | Confident | 3 Ų | 3 | 93.4 Ų | 93.4 | 2% | 0.018 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.2 | -179 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | L25 W26 I27 I84 L87 N88 | L25-V99 HydrophobicContact CB-CG1 4.3Å; L25-V99 HydrophobicContact CD1-CG1 3.93Å; W26-V99 WeakPolarHBondContact O-CA 3.37Å; I27-V99 HydrophobicContact CG1-CG1 4Å; I27-V99 HydrophobicContact CG1-CG2 4.12Å; I27-V99 HydrophobicContact CG2-CG2 4.26Å; I84-V99 HydrophobicContact CB-CG1 4.47Å; I84-V99 HydrophobicContact CG1-CG1 3.92Å; L87-V99 HydrophobicContact CB-CG2 3.73Å; N88-V99 HydrophobicContact CB-CB 4.19Å; N88-V99 PolarHBondContact OD1-N 3.25Å |
| 100 | R | 95.7 | Very high | 80.8 | Confident | 161 Ų | 161 | 98.5 Ų | 98.5 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.6 | -178.2 | -62 | -177.5 | -176.6 | 176.6 | -0.1 | 110.4 | L25 W26 V98 A102 | L25-R100 CarbonylContact C-O 3.58Å; L25-R100 WeakPolarHBondContact CA-O 3.46Å; W26-R100 HydrophobicContact CE3-CB 4.31Å; W26-R100 HydrophobicContact CE3-CG 4.38Å; W26-R100 PolarHBondContact N-O 3.15Å; W26-R100 PolarHBondContact O-N 2.96Å; V98-R100 HydrophobicContact CG1-CG 4.31Å; R100-A102 PolarHBondContact O-N 3.04Å |
| 101 | W | 94.8 | Very high | 78.5 | Confident | 95 Ų | 95 | 103.3 Ų | 103.3 | 36% | 0.36 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 130.3 | 165.2 | -63.3 | 115.8 | 0 | 0 | 0 | 110.3 | G22 L25 R77 A80 E81 I84 | G22-W101 WeakPolarHBondContact O-CH2 3.39Å; G22-W101 WeakPolarHBondContact O-CZ3 3.17Å; L25-W101 HydrophobicContact CD2-CD2 4.18Å; L25-W101 HydrophobicContact CD2-CE3 3.41Å; L25-W101 VanDerWaalsContact CD2-CE3 3.41Å; L25-W101 HydrophobicContact CD2-CH2 4.35Å; L25-W101 HydrophobicContact CD2-CZ3 3.49Å; L25-W101 VanDerWaalsContact CD2-CZ3 3.49Å; R77-W101 HydrophobicContact CG-CH2 4.27Å; A80-W101 HydrophobicContact CB-CH2 4.03Å; A80-W101 HydrophobicContact CB-CZ3 3.78Å; E81-W101 HydrophobicContact CG-CH2 3.56Å; E81-W101 HydrophobicContact CG-CZ2 3.5Å; I84-W101 HydrophobicContact CD1-CD2 3.56Å; I84-W101 HydrophobicContact CD1-CE3 3.94Å; I84-W101 HydrophobicContact CD1-CG 4.16Å; I84-W101 HydrophobicContact CD1-CH2 3.85Å; I84-W101 HydrophobicContact CD1-CZ2 3.48Å; I84-W101 VanDerWaalsContact CD1-CZ2 3.48Å; I84-W101 HydrophobicContact CD1-CZ3 4.04Å |
| 102 | A | 92.8 | Very high | 76.3 | Confident | 10 Ų | 10 | 104.5 Ų | 104.5 | 8% | 0.083 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 138 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R24 W26 F71 R100 | R24-A102 HydrophobicContact CB-CB 4.08Å; R24-A102 HydrophobicContact CG-CB 3.79Å; R24-A102 PolarHBondContact O-N 3.24Å; W26-A102 HydrophobicContact CB-CB 4.16Å; F71-A102 HydrophobicContact CD1-CB 3.83Å; F71-A102 HydrophobicContact CE1-CB 4.1Å; R100-A102 PolarHBondContact O-N 3.04Å |
| 103 | H | 83.8 | Confident | 74.1 | Confident | 171 Ų | 171 | 109.9 Ų | 109.9 | 79% | 0.792 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 133.4 | 168.7 | -63 | 74.2 | 0 | 0 | 0 | 107.7 | Q105 | H103-Q105 VanDerWaalsContact C-N 3.26Å; H103-Q105 PolarHBondContact O-N 2.94Å |
| 104 | A | 68.9 | Low | 72.3 | Confident | 41 Ų | 41 | 115.1 Ų | 115.1 | 34% | 0.339 | 54% | 0.54 | S | S | . | . | trans | -69.1 | 87.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | D21 R106 | D21-A104 WeakPolarHBondContact OD1-CB 3.31Å; A104-R106 PolarHBondContact O-N 2.94Å; A104-R106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | Q | 63.9 | Low | 69.9 | Low | 166 Ų | 166 | 115.9 Ų | 115.9 | 78% | 0.776 | 54% | 0.541 | S | S | * | . | trans | -72 | 105.9 | 161 | -163.9 | 133.7 | -8.9 | 0 | 0 | 105.7 | H103 F107 | H103-Q105 VanDerWaalsContact C-N 3.26Å; H103-Q105 PolarHBondContact O-N 2.94Å; Q105-F107 PolarHBondContact O-N 3.43Å | ||
| 106 | R | 57.5 | Low | 67.2 | Low | 199 Ų | 199 | 120.3 Ų | 120.3 | 75% | 0.751 | 56% | 0.564 | S | S | * | * | trans | -50 | 111.1 | 165 | -72.6 | -170.9 | -178.6 | -169.8 | 0.8 | 105.7 | A104 E108 | A104-R106 PolarHBondContact O-N 2.94Å; A104-R106 VanDerWaalsContact O-N 3.1Å; R106-E108 PolarHBondContact O-N 3.27Å | ||
| 107 | F | 51.3 | Low | 64.7 | Low | 158 Ų | 158 | 120.1 Ų | 120.1 | 69% | 0.693 | 58% | 0.577 | S | S | * | * | trans | -74.8 | 74.8 | 174.8 | -166.6 | -90.7 | 0 | 0 | 0 | 106 | Q105 G109 F110 | Q105-F107 PolarHBondContact O-N 3.43Å; F107-G109 PolarHBondContact O-N 3.3Å; F107-G109 VanDerWaalsContact O-N 3.15Å; F107-F110 HydrophobicContact CE1-CD2 4.41Å; F107-F110 HydrophobicContact CE2-CD2 4.07Å; F107-F110 AromaticContact CE2-CE2 3.88Å; F107-F110 HydrophobicContact CE2-CE2 3.88Å; F107-F110 AromaticContact CZ-CD2 3.79Å; F107-F110 HydrophobicContact CZ-CD2 3.79Å; F107-F110 HydrophobicContact CZ-CE2 4.09Å | ||
| 108 | E | 46.4 | Very low | 61.9 | Low | 157 Ų | 157 | 125 Ų | 125 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | trans | -60.4 | 113.3 | 162.5 | -76.2 | -73.5 | 141.8 | 0 | 0 | 105.3 | R106 F110 | R106-E108 PolarHBondContact O-N 3.27Å; E108-F110 PolarHBondContact O-N 3.47Å | ||
| 109 | G | 42.2 | Very low | 59.7 | Low | 56 Ų | 56 | 128.1 Ų | 128.1 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | trans | -49.3 | 131.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F107 R111 | F107-G109 PolarHBondContact O-N 3.3Å; F107-G109 VanDerWaalsContact O-N 3.15Å; G109-R111 PolarHBondContact O-N 2.74Å | ||
| 110 | F | 46.8 | Very low | 57.2 | Low | 151 Ų | 151 | 136.1 Ų | 136.1 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | trans | -62.9 | 85.2 | 165.7 | -70.8 | -88.1 | 0 | 0 | 0 | 108.7 | F107 E108 N112 | F107-F110 HydrophobicContact CE1-CD2 4.41Å; F107-F110 HydrophobicContact CE2-CD2 4.07Å; F107-F110 AromaticContact CE2-CE2 3.88Å; F107-F110 HydrophobicContact CE2-CE2 3.88Å; F107-F110 AromaticContact CZ-CD2 3.79Å; F107-F110 HydrophobicContact CZ-CD2 3.79Å; F107-F110 HydrophobicContact CZ-CE2 4.09Å; E108-F110 PolarHBondContact O-N 3.47Å; F110-N112 PolarHBondContact O-N 2.99Å | ||
| 111 | R | 46.8 | Very low | 54.9 | Low | 213 Ų | 213 | 137.2 Ų | 137.2 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -74.3 | 85 | 166.8 | -165.7 | 174.4 | 160 | -176.7 | -7.5 | 106.6 | G109 E113 | G109-R111 PolarHBondContact O-N 2.74Å; R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 IonicContact NH2-OE2 3.86Å; R111-E113 PolarHBondContact O-N 3.03Å | ||
| 112 | N | 49.7 | Very low | 52.2 | Low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -67 | 86.9 | 172.3 | -73.8 | -12 | 0 | 0 | 0 | 109.1 | F110 | F110-N112 PolarHBondContact O-N 2.99Š| ||
| 113 | E | 44.7 | Very low | 49.6 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | trans | -108.1 | 103.8 | 163.5 | -159.9 | 180 | 94.8 | 0 | 0 | 108.7 | R111 T115 | R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 IonicContact NH2-OE2 3.86Å; R111-E113 PolarHBondContact O-N 3.03Å; E113-T115 PolarHBondContact O-N 2.91Å; E113-T115 VanDerWaalsContact O-N 3.1Å; E113-T115 PolarHBondContact OE1-OG1 3.35Å; E113-T115 VanDerWaalsContact OE1-OG1 3.12Å | ||
| 114 | K | 55 | Low | 47 | Very low | 214 Ų | 214 | 141.8 Ų | 141.8 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | -69.3 | 96 | 166.1 | -66.5 | 174 | 178.8 | 174.4 | 0 | 107.4 | ||||
| 115 | T | 42.8 | Very low | 45.7 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -125.6 | 121.2 | 166.7 | -52.4 | 0 | 0 | 0 | 0 | 109.6 | E113 | E113-T115 PolarHBondContact O-N 2.91Å; E113-T115 VanDerWaalsContact O-N 3.1Å; E113-T115 PolarHBondContact OE1-OG1 3.35Å; E113-T115 VanDerWaalsContact OE1-OG1 3.12Å | ||
| 116 | M | 38.5 | Very low | 44.2 | Very low | 172 Ų | 172 | 141 Ų | 141 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -54 | 154.5 | -171 | -56.8 | -86.5 | -143.3 | 0 | 0 | 114.2 | A118 | M116-A118 PolarHBondContact O-N 3.39Š| ||
| 117 | P | 44.9 | Very low | 43.1 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 114.5 | 173.4 | 32.2 | -30.6 | 0 | 0 | 0 | 110.7 | ||||
| 118 | A | 39.5 | Very low | 42.5 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -98.5 | 90.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | M116 | M116-A118 PolarHBondContact O-N 3.39Š| ||
| 119 | S | 51.7 | Low | 42.1 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -94.9 | 101.6 | 168.5 | 174.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 120 | L | 43.3 | Very low | 41.9 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -152.2 | 96.8 | 154.2 | -72.8 | -179.1 | 0 | 0 | 0 | 108.3 | ||||
| 121 | E | 46.8 | Very low | 41.4 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -69 | 145.1 | 165.1 | -63.4 | -103 | 109.4 | 0 | 0 | 110 | ||||
| 122 | P | 39.4 | Very low | 40.9 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -115.8 | 123.9 | 144 | 27.9 | -15.2 | 0 | 0 | 0 | 110.4 | C124 | P122-C124 PolarHBondContact O-N 3.23Š| ||
| 123 | S | 37.1 | Very low | 40.5 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -47.5 | 125.4 | 177.4 | -48.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 124 | C | 30.2 | Very low | 40.4 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -93.2 | 119.1 | 163 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | P122 | P122-C124 PolarHBondContact O-N 3.23Š| ||
| 125 | S | 41.2 | Very low | 40.2 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -122.9 | 110.6 | 162.8 | 58.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 126 | G | 31.4 | Very low | 40.7 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 77.6 | 135.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 127 | S | 36 | Very low | 41.9 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | cis | -173.6 | 147.8 | 11.2 | 25.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 128 | T | 37.1 | Very low | 43.1 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 60.2 | 123.7 | 152.7 | 54.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 129 | E | 38.6 | Very low | 44.7 | Very low | 179 Ų | 179 | 120.3 Ų | 120.3 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | cis | -176.6 | 163.2 | 32.6 | 51.6 | -160.3 | 113.9 | 0 | 0 | 108.9 | ||||
| 130 | A | 39.2 | Very low | 45.9 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 88% | 0.876 | 76% | 0.759 | S | S | * | * | trans | 63.8 | 103.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 131 | G | 35.7 | Very low | 47.5 | Very low | 74 Ų | 74 | 114.8 Ų | 114.8 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | trans | 150.5 | 75.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I133 | G131-I133 PolarHBondContact O-N 2.78Š| ||
| 132 | S | 35.3 | Very low | 49.2 | Very low | 113 Ų | 113 | 107.2 Ų | 107.2 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | trans | -53.6 | 134.9 | 148.4 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 133 | I | 41.7 | Very low | 51.2 | Low | 136 Ų | 136 | 106.9 Ų | 106.9 | 70% | 0.697 | 69% | 0.691 | S | S | * | * | trans | 158.8 | 105.5 | 138.5 | -77.2 | 151.8 | 0 | 0 | 0 | 109 | G131 | G131-I133 PolarHBondContact O-N 2.78Š| ||
| 134 | T | 42.4 | Very low | 53.5 | Low | 117 Ų | 117 | 105.1 Ų | 105.1 | 72% | 0.718 | 67% | 0.671 | S | S | * | * | trans | 26.9 | 121.7 | 134.9 | 11.9 | 0 | 0 | 0 | 0 | 117.5 | S136 | T134-S136 PolarHBondContact O-N 2.69Š| ||
| 135 | T | 51.4 | Low | 55.8 | Low | 153 Ų | 153 | 106.4 Ų | 106.4 | 94% | 0.939 | 66% | 0.657 | S | S | * | * | trans | -59 | 80.5 | 163.8 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 136 | S | 53 | Low | 57.8 | Low | 74 Ų | 74 | 103.9 Ų | 103.9 | 52% | 0.517 | 64% | 0.643 | S | S | . | * | trans | -89 | 137.7 | 170.7 | 55.1 | 0 | 0 | 0 | 0 | 108.2 | T134 L138 | T134-S136 PolarHBondContact O-N 2.69Å; S136-L138 PolarHBondContact O-N 3.1Å | ||
| 137 | N | 64.6 | Low | 60.2 | Low | 169 Ų | 169 | 105.5 Ų | 105.5 | 90% | 0.904 | 63% | 0.633 | S | S | * | * | trans | -56.9 | 94.1 | 165.7 | -82.3 | -70.3 | 0 | 0 | 0 | 108.1 | S139 | N137-S139 PolarHBondContact O-N 2.86Š| ||
| 138 | L | 68.8 | Low | 62.3 | Low | 84 Ų | 84 | 105.6 Ų | 105.6 | 44% | 0.44 | 62% | 0.622 | S | S | . | * | trans | -64.4 | 128.7 | -175.9 | -144.7 | 82.6 | 0 | 0 | 0 | 108.8 | S136 A142 K143 | S136-L138 PolarHBondContact O-N 3.1Å; L138-A142 HydrophobicContact CD1-CB 4.43Å; L138-A142 HydrophobicContact CD2-CB 3.5Å; L138-A142 HydrophobicContact CG-CB 3.55Å; L138-K143 HydrophobicContact CB-CG 4.22Å; L138-K143 HydrophobicContact CD2-CG 4.07Å; L138-K143 WeakPolarHBondContact O-CE 3.41Å | ||
| 139 | S | 72.9 | Confident | 64.3 | Low | 74 Ų | 74 | 102.3 Ų | 102.3 | 52% | 0.517 | 61% | 0.607 | S | S | . | * | trans | -53.3 | 145.5 | 175 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | N137 S141 A142 K143 | N137-S139 PolarHBondContact O-N 2.86Å; S139-S141 PolarHBondContact O-N 3.16Å; S139-S141 VanDerWaalsContact O-N 3.09Å; S139-S141 PolarHBondContact OG-OG 3.19Å; S139-A142 WeakPolarHBondContact O-CA 3.44Å; S139-A142 WeakPolarHBondContact O-CB 3.46Å; S139-A142 PolarHBondContact O-N 3.29Å; S139-K143 PolarHBondContact O-N 3.35Å | ||
| 140 | T | 77.8 | Confident | 66.1 | Low | 100 Ų | 100 | 100.7 Ų | 100.7 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -50.4 | -38.2 | 177.8 | -50 | 0 | 0 | 0 | 0 | 111.5 | A142 K143 I144 | T140-A142 VanDerWaalsContact C-N 3.3Å; T140-A142 PolarHBondContact O-N 3.26Å; T140-K143 PolarHBondContact O-N 3.12Å; T140-I144 HydrophobicContact CG2-CD1 3.95Å; T140-I144 WeakPolarHBondContact O-CD1 3.49Å; T140-I144 VanDerWaalsContact O-CG1 3.22Å; T140-I144 WeakPolarHBondContact O-CG1 3.19Å; T140-I144 PolarHBondContact O-N 3.37Å |
| 141 | S | 77.4 | Confident | 68 | Low | 58 Ų | 58 | 101 Ų | 101 | 41% | 0.406 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.9 | -27.6 | 177.4 | 62.3 | 0 | 0 | 0 | 0 | 114.3 | S139 R145 | S139-S141 PolarHBondContact O-N 3.16Å; S139-S141 VanDerWaalsContact O-N 3.09Å; S139-S141 PolarHBondContact OG-OG 3.19Å; S141-R145 WeakPolarHBondContact O-CG 3.38Å; S141-R145 PolarHBondContact O-N 3.09Å; S141-R145 PolarHBondContact O-NE 3.13Å |
| 142 | A | 82.6 | Confident | 70.1 | Confident | 26 Ų | 26 | 104.2 Ų | 104.2 | 22% | 0.215 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -80.6 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L138 S139 T140 A146 | L138-A142 HydrophobicContact CD1-CB 4.43Å; L138-A142 HydrophobicContact CD2-CB 3.5Å; L138-A142 HydrophobicContact CG-CB 3.55Å; S139-A142 WeakPolarHBondContact O-CA 3.44Å; S139-A142 WeakPolarHBondContact O-CB 3.46Å; S139-A142 PolarHBondContact O-N 3.29Å; T140-A142 VanDerWaalsContact C-N 3.3Å; T140-A142 PolarHBondContact O-N 3.26Å; A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 3.47Å; A142-A146 VanDerWaalsContact O-N 3.13Å |
| 143 | K | 80.9 | Confident | 71.5 | Confident | 115 Ų | 115 | 106.4 Ų | 106.4 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.6 | -42.9 | 171.4 | -59.5 | -176.8 | -164.7 | 176.4 | 0 | 111.3 | L138 S139 T140 A146 I147 | L138-K143 HydrophobicContact CB-CG 4.22Å; L138-K143 HydrophobicContact CD2-CG 4.07Å; L138-K143 WeakPolarHBondContact O-CE 3.41Å; S139-K143 PolarHBondContact O-N 3.35Å; T140-K143 PolarHBondContact O-N 3.12Å; K143-A146 PolarHBondContact O-N 2.99Å; K143-I147 WeakPolarHBondContact O-CG1 3.22Å; K143-I147 PolarHBondContact O-N 3.16Å; K143-I147 VanDerWaalsContact O-N 3.16Å |
| 144 | I | 84.4 | Confident | 72.6 | Confident | 82 Ų | 82 | 106.7 Ų | 106.7 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.8 | -52 | 177.6 | -68.7 | 164.1 | 0 | 0 | 0 | 110 | T140 A146 I147 E148 | T140-I144 HydrophobicContact CG2-CD1 3.95Å; T140-I144 WeakPolarHBondContact O-CD1 3.49Å; T140-I144 VanDerWaalsContact O-CG1 3.22Å; T140-I144 WeakPolarHBondContact O-CG1 3.19Å; T140-I144 PolarHBondContact O-N 3.37Å; I144-A146 VanDerWaalsContact C-N 3.32Å; I144-A146 PolarHBondContact O-N 3.2Å; I144-I147 WeakPolarHBondContact O-CB 3.47Å; I144-I147 PolarHBondContact O-N 3.14Å; I144-I147 VanDerWaalsContact O-N 3.08Å; I144-E148 HydrophobicContact CG2-CG 4.29Å; I144-E148 WeakPolarHBondContact CG2-OE1 3.47Å; I144-E148 WeakPolarHBondContact O-CG 3.33Å; I144-E148 PolarHBondContact O-N 3.26Å |
| 145 | R | 80.3 | Confident | 73.6 | Confident | 159 Ų | 159 | 109 Ų | 109 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61 | -37.2 | 179.4 | -78.2 | -176 | -70.3 | -168.8 | 1.5 | 114 | S141 I147 E148 A149 | S141-R145 WeakPolarHBondContact O-CG 3.38Å; S141-R145 PolarHBondContact O-N 3.09Å; S141-R145 PolarHBondContact O-NE 3.13Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-I147 PolarHBondContact O-N 3.4Å; R145-E148 PolarHBondContact O-N 3.27Å; R145-A149 WeakPolarHBondContact O-CB 3.31Å; R145-A149 PolarHBondContact O-N 3.08Å |
| 146 | A | 82.3 | Confident | 74 | Confident | 62 Ų | 62 | 109.6 Ų | 109.6 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A142 K143 I144 K150 | A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 3.47Å; A142-A146 VanDerWaalsContact O-N 3.13Å; K143-A146 PolarHBondContact O-N 2.99Å; I144-A146 VanDerWaalsContact C-N 3.32Å; I144-A146 PolarHBondContact O-N 3.2Å; A146-K150 PolarHBondContact O-N 3.31Å |
| 147 | I | 80.9 | Confident | 74.3 | Confident | 107 Ų | 107 | 112.9 Ų | 112.9 | 55% | 0.549 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.2 | -47 | 175.4 | -68.4 | 167.3 | 0 | 0 | 0 | 110.2 | K143 I144 R145 A149 K150 L151 | K143-I147 WeakPolarHBondContact O-CG1 3.22Å; K143-I147 PolarHBondContact O-N 3.16Å; K143-I147 VanDerWaalsContact O-N 3.16Å; I144-I147 WeakPolarHBondContact O-CB 3.47Å; I144-I147 PolarHBondContact O-N 3.14Å; I144-I147 VanDerWaalsContact O-N 3.08Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-I147 PolarHBondContact O-N 3.4Å; I147-A149 PolarHBondContact O-N 3.47Å; I147-K150 PolarHBondContact O-N 2.94Å; I147-L151 HydrophobicContact CG2-CD1 3.66Å; I147-L151 PolarHBondContact O-N 3.44Å |
| 148 | E | 80.2 | Confident | 74 | Confident | 108 Ų | 108 | 110.8 Ų | 110.8 | 51% | 0.505 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58 | -46.3 | 178.2 | -71.2 | 169.7 | 165.4 | 0 | 0 | 111.8 | I144 R145 K150 L151 Q152 | I144-E148 HydrophobicContact CG2-CG 4.29Å; I144-E148 WeakPolarHBondContact CG2-OE1 3.47Å; I144-E148 WeakPolarHBondContact O-CG 3.33Å; I144-E148 PolarHBondContact O-N 3.26Å; R145-E148 PolarHBondContact O-N 3.27Å; E148-K150 VanDerWaalsContact C-N 3.33Å; E148-K150 PolarHBondContact O-N 3.45Å; E148-L151 PolarHBondContact O-N 3.46Å; E148-Q152 WeakPolarHBondContact O-CB 3.42Å; E148-Q152 PolarHBondContact O-N 3.31Å |
| 149 | A | 80.7 | Confident | 73.2 | Confident | 52 Ų | 52 | 113.3 Ų | 113.3 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.8 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R145 I147 Q152 M153 | R145-A149 WeakPolarHBondContact O-CB 3.31Å; R145-A149 PolarHBondContact O-N 3.08Å; I147-A149 PolarHBondContact O-N 3.47Å; A149-Q152 PolarHBondContact O-N 2.97Å; A149-M153 VanDerWaalsContact O-CG 3.31Å; A149-M153 WeakPolarHBondContact O-CG 3.41Å; A149-M153 PolarHBondContact O-N 2.93Å |
| 150 | K | 76 | Confident | 72.1 | Confident | 146 Ų | 146 | 116.7 Ų | 116.7 | 64% | 0.635 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.6 | -40.9 | 178.1 | -176.6 | 170.7 | -178.4 | 171.8 | 0 | 112.3 | A146 I147 E148 M153 M154 | A146-K150 PolarHBondContact O-N 3.31Å; I147-K150 PolarHBondContact O-N 2.94Å; E148-K150 VanDerWaalsContact C-N 3.33Å; E148-K150 PolarHBondContact O-N 3.45Å; K150-M153 PolarHBondContact O-N 3.42Å; K150-M154 HydrophobicContact CG-SD 4.38Å; K150-M154 WeakPolarHBondContact O-CG 3.42Å; K150-M154 PolarHBondContact O-N 3.01Å |
| 151 | L | 79.2 | Confident | 70.8 | Confident | 111 Ų | 111 | 117.1 Ų | 117.1 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.4 | -46.3 | 174.8 | -94 | 139.8 | 0 | 0 | 0 | 111.1 | I147 E148 M153 M154 E155 | I147-L151 HydrophobicContact CG2-CD1 3.66Å; I147-L151 PolarHBondContact O-N 3.44Å; E148-L151 PolarHBondContact O-N 3.46Å; L151-M153 VanDerWaalsContact C-N 3.31Å; L151-M153 PolarHBondContact O-N 3.39Å; L151-M154 PolarHBondContact O-N 3.2Å; L151-E155 PolarHBondContact O-N 2.93Å; L151-E155 VanDerWaalsContact O-N 3.07Å |
| 152 | Q | 78.3 | Confident | 69.4 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.664 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.2 | -39 | 179.3 | -173.1 | 165.3 | -0.9 | 0 | 0 | 112.3 | E148 A149 M154 E155 | E148-Q152 WeakPolarHBondContact O-CB 3.42Å; E148-Q152 PolarHBondContact O-N 3.31Å; A149-Q152 PolarHBondContact O-N 2.97Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.24Å; Q152-E155 PolarHBondContact O-N 3.49Å |
| 153 | M | 66.4 | Low | 68.1 | Low | 159 Ų | 159 | 129 Ų | 129 | 78% | 0.783 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.8 | -23.1 | 174.7 | -69.8 | -173.4 | 79.4 | 0 | 0 | 113.8 | A149 K150 L151 | A149-M153 VanDerWaalsContact O-CG 3.31Å; A149-M153 WeakPolarHBondContact O-CG 3.41Å; A149-M153 PolarHBondContact O-N 2.93Å; K150-M153 PolarHBondContact O-N 3.42Å; L151-M153 VanDerWaalsContact C-N 3.31Å; L151-M153 PolarHBondContact O-N 3.39Å |
| 154 | M | 64.6 | Low | 66.9 | Low | 142 Ų | 142 | 125.3 Ų | 125.3 | 70% | 0.7 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -85.4 | -20.6 | 175.4 | -70.8 | 173.1 | 96.5 | 0 | 0 | 112.5 | K150 L151 Q152 E156 | K150-M154 HydrophobicContact CG-SD 4.38Å; K150-M154 WeakPolarHBondContact O-CG 3.42Å; K150-M154 PolarHBondContact O-N 3.01Å; L151-M154 PolarHBondContact O-N 3.2Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.24Å; M154-E156 VanDerWaalsContact C-N 3.35Å |
| 155 | E | 63.9 | Low | 65.2 | Low | 166 Ų | 166 | 127.8 Ų | 127.8 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.9 | -21.1 | -179.6 | -158.6 | 170.1 | -172.2 | 0 | 0 | 112.6 | L151 Q152 N157 | L151-E155 PolarHBondContact O-N 2.93Å; L151-E155 VanDerWaalsContact O-N 3.07Å; Q152-E155 PolarHBondContact O-N 3.49Å; E155-N157 PolarHBondContact O-N 3.06Å |
| 156 | E | 58.8 | Low | 63.9 | Low | 165 Ų | 165 | 124.8 Ų | 124.8 | 77% | 0.771 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -92.4 | 37.1 | -179.3 | -154.8 | -176.3 | 116.5 | 0 | 0 | 114.1 | M154 | M154-E156 VanDerWaalsContact C-N 3.35Š|
| 157 | N | 58.8 | Low | 62.6 | Low | 143 Ų | 143 | 126.5 Ų | 126.5 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | -153 | 89.3 | 166.8 | -103.2 | -45.7 | 0 | 0 | 0 | 112.6 | E155 | E155-N157 PolarHBondContact O-N 3.06Š| ||
| 158 | P | 59.5 | Low | 61 | Low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | -99.2 | 57.8 | 176.3 | 39.1 | -32.8 | 0 | 0 | 0 | 111.9 | ||||
| 159 | D | 50.8 | Low | 59.7 | Low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | -171.4 | 105.8 | 155.6 | -146.9 | -0.2 | 0 | 0 | 0 | 110.6 | ||||
| 160 | D | 49.2 | Very low | 58.2 | Low | 146 Ų | 146 | 140.7 Ų | 140.7 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | -160.7 | 114.6 | 143.3 | -151.6 | -95.6 | 0 | 0 | 0 | 109.7 | Y162 | D160-Y162 PolarHBondContact O-N 3.37Š| ||
| 161 | S | 52 | Low | 57.1 | Low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -68.9 | 94.6 | 176.1 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | S163 | S161-S163 PolarHBondContact O-N 3.31Å; S161-S163 VanDerWaalsContact O-N 3.09Å | ||
| 162 | Y | 48.1 | Very low | 56.1 | Low | 207 Ų | 207 | 145.3 Ų | 145.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -78.4 | 95.6 | 179.4 | -164.4 | -100.6 | 0 | 0 | 0 | 112.4 | D160 G164 | D160-Y162 PolarHBondContact O-N 3.37Å; Y162-G164 PolarHBondContact O-N 3.4Å | ||
| 163 | S | 54.8 | Low | 54.8 | Low | 126 Ų | 126 | 143.8 Ų | 143.8 | 88% | 0.881 | 77% | 0.772 | S | S | * | * | trans | -78.6 | 95.4 | 164.6 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | S161 | S161-S163 PolarHBondContact O-N 3.31Å; S161-S163 VanDerWaalsContact O-N 3.09Å | ||
| 164 | G | 55.1 | Low | 54.3 | Low | 37 Ų | 37 | 141.7 Ų | 141.7 | 38% | 0.381 | 77% | 0.77 | S | S | . | * | trans | -124.1 | 149 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y162 | Y162-G164 PolarHBondContact O-N 3.4Š| ||
| 165 | P | 49.1 | Very low | 54 | Low | 135 Ų | 135 | 144.3 Ų | 144.3 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -66.2 | 143.5 | -172.9 | 23.9 | -31.4 | 0 | 0 | 0 | 113.8 | ||||
| 166 | S | 53.7 | Low | 53.5 | Low | 95 Ų | 95 | 147.7 Ų | 147.7 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | -52.8 | 136.6 | -172.8 | -178.6 | 0 | 0 | 0 | 0 | 114.7 | Y168 | S166-Y168 PolarHBondContact O-N 2.97Š| ||
| 167 | A | 54.3 | Low | 53.3 | Low | 99 Ų | 99 | 149.2 Ų | 149.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -64.4 | 12.6 | -173 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 168 | Y | 48.4 | Very low | 52.8 | Low | 219 Ų | 219 | 153.7 Ų | 153.7 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -99.3 | 21.3 | -172.2 | -94.7 | -78.4 | 0 | 0 | 0 | 115.9 | S166 | S166-Y168 PolarHBondContact O-N 2.97Š| ||
| 169 | V | 52.4 | Low | 52 | Low | 125 Ų | 125 | 159.4 Ų | 159.4 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -109.4 | -4.5 | -176.5 | -179.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 170 | Y | 48.4 | Very low | 52.2 | Low | 220 Ų | 220 | 161.5 Ų | 161.5 | 86% | 0.863 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -102.5 | 12.2 | -172.5 | -106.4 | -83.4 | 0 | 0 | 0 | 117.3 | ||
| 171 | N | 53.6 | Low | 52.1 | Low | 165 Ų | 165 | 160.2 Ų | 160.2 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -108.3 | 40.5 | 175.6 | -76.2 | 27.5 | 0 | 0 | 0 | 113 | ||||
| 172 | K | 57.7 | Low | 51.8 | Low | 189 Ų | 189 | 164.6 Ų | 164.6 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -102.3 | 107 | 164.2 | -140.5 | 173.6 | -171.4 | -179 | 0 | 108.5 | ||||
| 173 | P | 51.6 | Low | 52.2 | Low | 111 Ų | 111 | 159.8 Ų | 159.8 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -61.5 | 137 | 175.2 | -10.1 | 21.8 | 0 | 0 | 0 | 108.8 | E175 | P173-E175 PolarHBondContact O-N 3.22Š| ||
| 174 | P | 56.1 | Low | 51.8 | Low | 114 Ų | 114 | 162.2 Ų | 162.2 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -64.4 | 132.6 | 173.6 | 25.6 | -31.3 | 0 | 0 | 0 | 109.4 | R176 | P174-R176 PolarHBondContact O-N 3Š| ||
| 175 | E | 58.7 | Low | 51.4 | Low | 198 Ų | 198 | 164.4 Ų | 164.4 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -56 | 106.1 | 168.4 | -90.9 | -176.6 | 118.2 | 0 | 0 | 108.7 | P173 K177 | P173-E175 PolarHBondContact O-N 3.22Å; E175-K177 PolarHBondContact O-N 3.03Å; E175-K177 VanDerWaalsContact O-N 3.14Å | ||
| 176 | R | 52.8 | Low | 51.2 | Low | 237 Ų | 237 | 167.1 Ų | 167.1 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -68.7 | 112.9 | 167.7 | -71.3 | -173.5 | 174 | -163.5 | -1.8 | 107.2 | P174 R178 | P174-R176 PolarHBondContact O-N 3Å; R176-R178 PolarHBondContact O-N 2.93Å | ||
| 177 | K | 54.3 | Low | 51 | Low | 197 Ų | 197 | 170.5 Ų | 170.5 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -45.2 | 111.5 | 163.4 | -74.2 | -178.3 | 177.8 | 179.4 | 0 | 108.2 | E175 W179 | E175-K177 PolarHBondContact O-N 3.03Å; E175-K177 VanDerWaalsContact O-N 3.14Å; K177-W179 PolarHBondContact O-N 3.4Å | ||
| 178 | R | 48.9 | Very low | 50.8 | Low | 237 Ų | 237 | 170.9 Ų | 170.9 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 119.9 | 172.4 | 173.5 | 174 | -102 | 178.9 | -7.2 | 107.1 | R176 E180 | R176-R178 PolarHBondContact O-N 2.93Å; R178-E180 PolarHBondContact O-N 3.01Å; R178-E180 VanDerWaalsContact O-N 3.13Å |
| 179 | W | 42.6 | Very low | 50.7 | Low | 245 Ų | 245 | 168 Ų | 168 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 116.2 | 173.4 | -70.8 | 62.8 | 0 | 0 | 0 | 107.6 | K177 | K177-W179 PolarHBondContact O-N 3.4Š|
| 180 | E | 53.7 | Low | 50.9 | Low | 181 Ų | 181 | 170.4 Ų | 170.4 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 128.6 | 166.5 | -83 | 171.5 | 86.2 | 0 | 0 | 108 | R178 Y182 | R178-E180 PolarHBondContact O-N 3.01Å; R178-E180 VanDerWaalsContact O-N 3.13Å; E180-Y182 PolarHBondContact O-N 3.07Å |
| 181 | P | 48.5 | Very low | 51.3 | Low | 118 Ų | 118 | 164.9 Ų | 164.9 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 136.2 | 174.3 | 25.6 | -30.8 | 0 | 0 | 0 | 108.7 | S183 | P181-S183 PolarHBondContact O-N 3.35Š|
| 182 | Y | 44.4 | Very low | 51.5 | Low | 202 Ų | 202 | 168.1 Ų | 168.1 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -48.3 | 109.4 | 170.9 | -177 | -96.3 | 0 | 0 | 0 | 109.4 | E180 K184 | E180-Y182 PolarHBondContact O-N 3.07Å; Y182-K184 HydrophobicContact CD1-CG 4.42Å; Y182-K184 PolarHBondContact O-N 3.13Å | ||
| 183 | S | 57.2 | Low | 51.6 | Low | 106 Ų | 106 | 165 Ų | 165 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -67.2 | 104.8 | 174.3 | 51 | 0 | 0 | 0 | 0 | 107.8 | P181 S185 | P181-S183 PolarHBondContact O-N 3.35Å; S183-S185 PolarHBondContact O-N 3.18Å | ||
| 184 | K | 47.4 | Very low | 51.6 | Low | 177 Ų | 177 | 169.3 Ų | 169.3 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -61 | 106.3 | 166.4 | -81.4 | -177.4 | 175.7 | 177.3 | 0 | 107.6 | Y182 H186 | Y182-K184 HydrophobicContact CD1-CG 4.42Å; Y182-K184 PolarHBondContact O-N 3.13Å; K184-H186 PolarHBondContact O-N 2.96Å | ||
| 185 | S | 45.7 | Very low | 51.8 | Low | 82 Ų | 82 | 175.4 Ų | 175.4 | 57% | 0.573 | 82% | 0.822 | S | S | * | * | trans | -64.4 | 116.2 | 167.7 | 46.2 | 0 | 0 | 0 | 0 | 109 | S183 H187 | S183-S185 PolarHBondContact O-N 3.18Å; S185-H187 PolarHBondContact O-N 3.14Å | ||
| 186 | H | 45.6 | Very low | 51.8 | Low | 193 Ų | 193 | 175.5 Ų | 175.5 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | trans | -60.1 | 98.3 | 170.8 | -72.5 | -108.7 | 0 | 0 | 0 | 109.3 | K184 | K184-H186 PolarHBondContact O-N 2.96Š| ||
| 187 | H | 48.6 | Very low | 51.9 | Low | 166 Ų | 166 | 174.1 Ų | 174.1 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -86.4 | 114.7 | 160.4 | -79.6 | 75.6 | 0 | 0 | 0 | 108.1 | S185 | S185-H187 PolarHBondContact O-N 3.14Š| ||
| 188 | S | 51.1 | Low | 52.1 | Low | 107 Ų | 107 | 176.1 Ų | 176.1 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -51.5 | 131.5 | 178 | 43.4 | 0 | 0 | 0 | 0 | 111.6 | Q190 | S188-Q190 PolarHBondContact O-N 2.94Š| ||
| 189 | N | 46.5 | Very low | 52.7 | Low | 159 Ų | 159 | 180 Ų | 180 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | trans | -70.6 | 91.9 | 170.4 | -162.3 | 11.9 | 0 | 0 | 0 | 108.1 | ||||
| 190 | Q | 56.4 | Low | 53.2 | Low | 174 Ų | 174 | 176.8 Ų | 176.8 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -92.5 | 100.3 | 170.3 | -154.4 | 171.9 | 51.5 | 0 | 0 | 108.6 | S188 R192 | S188-Q190 PolarHBondContact O-N 2.94Å; Q190-R192 PolarHBondContact O-N 3.4Å; Q190-R192 VanDerWaalsContact O-N 3.14Å | ||
| 191 | S | 55.9 | Low | 53.2 | Low | 104 Ų | 104 | 176.6 Ų | 176.6 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -43.6 | 113 | 171.1 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 192 | R | 58.3 | Low | 53.4 | Low | 233 Ų | 233 | 179.8 Ų | 179.8 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 121.6 | 164.1 | -75.2 | -179.1 | 150.4 | -147.7 | -4.5 | 108.4 | Q190 | Q190-R192 PolarHBondContact O-N 3.4Å; Q190-R192 VanDerWaalsContact O-N 3.14Å |
| 193 | P | 59.7 | Low | 54 | Low | 123 Ų | 123 | 178.5 Ų | 178.5 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 141 | 178.9 | 28.1 | -32.3 | 0 | 0 | 0 | 110.7 | R195 | P193-R195 PolarHBondContact O-N 3.03Š|
| 194 | F | 51.2 | Low | 53.8 | Low | 202 Ų | 202 | 183.1 Ų | 183.1 | 89% | 0.886 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 119.1 | 172.1 | -78.9 | -94.7 | 0 | 0 | 0 | 110.9 | K196 | F194-K196 PolarHBondContact O-N 2.86Š|
| 195 | R | 60.5 | Low | 54.2 | Low | 242 Ų | 242 | 183.5 Ų | 183.5 | 91% | 0.913 | 85% | 0.85 | S | S | * | * | trans | -72.7 | 106.4 | 161.5 | -106.5 | -177.7 | 180 | -169.8 | 0.1 | 108 | P193 F197 | P193-R195 PolarHBondContact O-N 3.03Å; R195-F197 PolarHBondContact O-N 3.29Å | ||
| 196 | K | 58.5 | Low | 54.8 | Low | 200 Ų | 200 | 190.7 Ų | 190.7 | 87% | 0.87 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 123.4 | 167.3 | -66.6 | -176.9 | 178.5 | -177.6 | 0 | 108.8 | F194 R198 | F194-K196 PolarHBondContact O-N 2.86Å; K196-R198 PolarHBondContact O-N 3.09Å |
| 197 | F | 54.7 | Low | 55.5 | Low | 209 Ų | 209 | 190.5 Ų | 190.5 | 92% | 0.917 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 123.2 | 158.8 | -89.6 | -90.9 | 0 | 0 | 0 | 107.9 | R195 | R195-F197 PolarHBondContact O-N 3.29Š|
| 198 | R | 58.7 | Low | 56.1 | Low | 239 Ų | 239 | 192.6 Ų | 192.6 | 90% | 0.902 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 143.1 | 166.8 | -155.9 | 166 | 90.9 | 172.3 | 6.4 | 107.6 | K196 | K196-R198 PolarHBondContact O-N 3.09Š|
| 199 | R | 61.3 | Low | 56.5 | Low | 319 Ų | 319 | 200.4 Ų | 200.4 | 100% | 1.204 | 89% | 0.887 | S | S | * | * | trans | -38.9 | 0 | 176.8 | -77.3 | 178.3 | 173.9 | 160.5 | -3.8 | 114.2 |
Retrieved 199 of 199 residues in 136.1 ms
(Link to these results)