| 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 | 32.3 | Very low | 30.2 | Very low | 244 Ų | 244 | 151.1 Ų | 151.1 | 100% | 1.202 | 86% | 0.861 | S | S | * | * | 0 | 103.5 | 0 | -96.5 | 168.3 | 160.4 | 0 | 0 | 108.7 | V3 | M1-V3 PolarHBondContact O-N 2.75Š| |||
| 2 | K | 29.3 | Very low | 30.6 | Very low | 210 Ų | 210 | 154 Ų | 154 | 91% | 0.913 | 86% | 0.862 | S | S | * | * | trans | -79.9 | 104.3 | 173.9 | -81 | 177.3 | 174.3 | 177.1 | 0 | 107.5 | T4 | K2-T4 PolarHBondContact O-N 3.31Š| ||
| 3 | V | 26.7 | Very low | 31.7 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | -80 | 109.2 | 168.9 | 179.5 | 0 | 0 | 0 | 0 | 106.8 | M1 L5 | M1-V3 PolarHBondContact O-N 2.75Å; V3-L5 PolarHBondContact O-N 3.27Å | ||
| 4 | T | 27.2 | Very low | 34.3 | Very low | 114 Ų | 114 | 148 Ų | 148 | 70% | 0.699 | 85% | 0.851 | S | S | * | * | trans | -66.8 | 120.7 | 175.6 | 25.1 | 0 | 0 | 0 | 0 | 110.1 | K2 S6 | K2-T4 PolarHBondContact O-N 3.31Å; T4-S6 PolarHBondContact O-N 3.07Å | ||
| 5 | L | 33.1 | Very low | 37.8 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -74.6 | 28.7 | -175.4 | -144.6 | 104.4 | 0 | 0 | 0 | 113.7 | V3 | V3-L5 PolarHBondContact O-N 3.27Š|
| 6 | S | 30.1 | Very low | 40.9 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -108.1 | 9.1 | -166.4 | 76.4 | 0 | 0 | 0 | 0 | 115.5 | T4 | T4-S6 PolarHBondContact O-N 3.07Š| ||
| 7 | A | 25.4 | Very low | 43.9 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -124.2 | 26.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 8 | L | 29.6 | Very low | 46.8 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 90% | 0.901 | 72% | 0.721 | S | S | * | * | trans | -126.9 | 28.3 | -179.2 | -105.4 | 154.7 | 0 | 0 | 0 | 114.3 | ||||
| 9 | N | 33.3 | Very low | 49.4 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -107.6 | 140.6 | 163.7 | -80 | -21.6 | 0 | 0 | 0 | 109.3 | ||||
| 10 | T | 34.8 | Very low | 51.8 | Low | 146 Ų | 146 | 112.9 Ų | 112.9 | 90% | 0.896 | 65% | 0.649 | S | S | * | * | trans | 91.5 | 75.9 | 171 | 76.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 11 | S | 29.9 | Very low | 53.9 | Low | 121 Ų | 121 | 107.6 Ų | 107.6 | 85% | 0.846 | 62% | 0.619 | S | S | * | * | trans | -133.5 | 119.6 | 130.8 | 70.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 12 | E | 35.8 | Very low | 56.9 | Low | 186 Ų | 186 | 96.7 Ų | 96.7 | 87% | 0.869 | 56% | 0.564 | S | S | * | * | trans | -63.5 | 149.8 | 174.3 | -70.6 | 173.7 | 136.1 | 0 | 0 | 111.5 | ||||
| 13 | S | 44.3 | Very low | 60.1 | Low | 101 Ų | 101 | 87 Ų | 87 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 103.2 | 0.5 | 147.8 | 78.3 | 0 | 0 | 0 | 0 | 124.1 | ||
| 14 | S | 68.1 | Low | 63.3 | Low | 123 Ų | 123 | 81.7 Ų | 81.7 | 86% | 0.86 | 49% | 0.493 | S | S | * | . | trans | -136.8 | 86.1 | 170 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 15 | F | 86.4 | Confident | 66.1 | Low | 39 Ų | 39 | 84.1 Ų | 84.1 | 17% | 0.171 | 50% | 0.497 | C | S | . | . | trans | -119.3 | 149.2 | 158.7 | 74.4 | -95.5 | 0 | 0 | 0 | 109.6 | P17 L51 R53 G73 | F15-P17 WeakPolarHBondContact O-CD 3.28Å; F15-L51 HydrophobicContact CB-CD1 3.57Å; F15-L51 HydrophobicContact CD1-CB 3.72Å; F15-L51 HydrophobicContact CD1-CD1 3.82Å; F15-L51 HydrophobicContact CD1-CG 4.36Å; F15-L51 HydrophobicContact CD2-CB 4.22Å; F15-L51 HydrophobicContact CD2-CD1 4.3Å; F15-L51 HydrophobicContact CE1-CB 3.62Å; F15-L51 HydrophobicContact CE2-CB 4.17Å; F15-L51 HydrophobicContact CG-CB 4.02Å; F15-L51 HydrophobicContact CG-CD1 3.64Å; F15-L51 HydrophobicContact CG-CG 4.49Å; F15-L51 HydrophobicContact CZ-CB 3.86Å; F15-R53 HydrophobicContact CE1-CB 4.21Å; F15-R53 HydrophobicContact CE1-CG 3.77Å; F15-R53 HydrophobicContact CZ-CB 4.46Å; F15-R53 HydrophobicContact CZ-CG 3.76Å; F15-G73 VanDerWaalsContact CE2-CA 3.49Å; F15-G73 VanDerWaalsContact CE2-N 3.28Å | ||
| 16 | T | 88.1 | Confident | 68.8 | Low | 104 Ų | 104 | 82.6 Ų | 82.6 | 64% | 0.638 | 49% | 0.489 | S | S | * | . | trans | -69.8 | 118.8 | 178.3 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | L18 | T16-L18 PolarHBondContact O-N 3.35Š| ||
| 17 | P | 92.2 | Very high | 71.7 | Confident | 27 Ų | 27 | 77.8 Ų | 77.8 | 18% | 0.175 | 46% | 0.456 | C | S | . | . | trans | -70.2 | 130.6 | 178.6 | 29.8 | -33.6 | 0 | 0 | 0 | 109.7 | F15 L71 L173 L478 | F15-P17 WeakPolarHBondContact O-CD 3.28Å; P17-L71 HydrophobicContact CB-CB 4.14Å; P17-L71 HydrophobicContact CB-CD1 4.01Å; P17-L71 HydrophobicContact CB-CD2 4.11Å; P17-L71 HydrophobicContact CB-CG 4.31Å; P17-L173 HydrophobicContact CB-CD1 3.95Å; P17-L173 HydrophobicContact CG-CD1 4.17Å; P17-L478 HydrophobicContact CG-CD1 3.81Å; P17-L478 HydrophobicContact CG-CD2 3.93Å | ||
| 18 | L | 95.4 | Very high | 75 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 8% | 0.079 | 44% | 0.443 | C | S | . | . | trans | -116.8 | -40.2 | -176.2 | -68.8 | 174.3 | 0 | 0 | 0 | 112.3 | T16 V72 M121 C124 Q125 I128 L173 | T16-L18 PolarHBondContact O-N 3.35Å; L18-V72 PolarHBondContact N-O 3.45Å; L18-V72 VanDerWaalsContact N-O 3.1Å; L18-M121 HydrophobicContact CD2-CE 3.78Å; L18-M121 HydrophobicContact CD2-CG 3.79Å; L18-C124 HydrophobicContact CD1-CB 3.99Å; L18-Q125 HydrophobicContact CB-CG 4.04Å; L18-Q125 HydrophobicContact CD2-CG 4.46Å; L18-Q125 WeakPolarHBondContact O-CG 3.32Å; L18-Q125 PolarHBondContact O-NE2 2.87Å; L18-I128 HydrophobicContact CB-CD1 3.73Å; L18-I128 HydrophobicContact CD1-CD1 3.49Å; L18-I128 VanDerWaalsContact CD1-CD1 3.49Å; L18-I128 HydrophobicContact CG-CD1 4.23Å; L18-L173 PolarHBondContact O-N 3.3Å | ||
| 19 | V | 97.4 | Very high | 78 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.5 | -177 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | V72 Q125 I128 L132 V170 F545 | V19-V72 HydrophobicContact CB-CB 4.35Å; V19-V72 PolarHBondContact N-O 3.13Å; V19-V72 VanDerWaalsContact N-O 3.15Å; V19-V72 PolarHBondContact O-N 2.99Å; V19-Q125 HydrophobicContact CG2-CB 4.4Å; V19-Q125 HydrophobicContact CG2-CG 4.31Å; V19-I128 HydrophobicContact CB-CG2 4.05Å; V19-I128 HydrophobicContact CG2-CB 4.07Å; V19-I128 HydrophobicContact CG2-CG2 3.7Å; V19-L132 HydrophobicContact CG1-CD1 4.49Å; V19-V170 HydrophobicContact CG1-CG1 3.47Å; V19-V170 VanDerWaalsContact CG1-CG1 3.47Å; V19-F545 HydrophobicContact CG1-CZ 4.18Å; V19-F545 HydrophobicContact CG2-CE1 4.08Å |
| 20 | V | 96.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.1 | 174.7 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | L69 Y70 L71 V170 F171 L173 V482 | V20-L69 HydrophobicContact CG1-CD2 3.86Å; V20-Y70 CarbonylContact C-O 3.3Å; V20-Y70 WeakPolarHBondContact CA-O 3.34Å; V20-L71 HydrophobicContact CG2-CD2 3.92Å; V20-V170 VanDerWaalsContact O-CA 3.32Å; V20-V170 WeakPolarHBondContact O-CA 3.47Å; V20-F171 HydrophobicContact CB-CD1 4.32Å; V20-F171 HydrophobicContact CB-CD2 4.33Å; V20-F171 HydrophobicContact CB-CE1 3.9Å; V20-F171 HydrophobicContact CB-CE2 3.9Å; V20-F171 HydrophobicContact CB-CZ 3.67Å; V20-F171 HydrophobicContact CG1-CE1 3.91Å; V20-F171 HydrophobicContact CG1-CE2 4.45Å; V20-F171 HydrophobicContact CG1-CZ 3.75Å; V20-F171 HydrophobicContact CG2-CD2 4.48Å; V20-F171 HydrophobicContact CG2-CE2 3.88Å; V20-F171 HydrophobicContact CG2-CZ 4Å; V20-F171 PolarHBondContact N-O 3.03Å; V20-F171 PolarHBondContact O-N 3.23Å; V20-F171 VanDerWaalsContact O-N 3.07Å; V20-L173 HydrophobicContact CG2-CD1 4.04Å; V20-L173 HydrophobicContact CG2-CD2 3.58Å; V20-L173 HydrophobicContact CG2-CG 3.71Å; V20-V482 HydrophobicContact CG1-CG1 4.09Å; V20-V482 HydrophobicContact CG2-CG1 4.2Å; V20-V482 HydrophobicContact CG2-CG2 4.36Å |
| 21 | I | 96.8 | Very high | 83.8 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.015 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.2 | 168.7 | -59.7 | 179.5 | 0 | 0 | 0 | 107.7 | L23 I39 F52 Y70 V72 L132 V167 V170 | I21-L23 HydrophobicContact CG2-CD2 3.89Å; I21-I39 HydrophobicContact CD1-CD1 4.1Å; I21-F52 HydrophobicContact CD1-CE2 4.39Å; I21-Y70 PolarHBondContact N-O 3.36Å; I21-Y70 PolarHBondContact O-N 2.93Å; I21-V72 HydrophobicContact CD1-CG2 3.66Å; I21-V72 HydrophobicContact CG1-CG2 3.98Å; I21-L132 HydrophobicContact CD1-CD1 4.23Å; I21-L132 HydrophobicContact CD1-CD2 4.49Å; I21-V167 HydrophobicContact CG2-CG1 4.11Å; I21-V167 HydrophobicContact CG2-CG2 4.23Å; I21-V170 HydrophobicContact CG1-CG1 4.14Å; I21-V170 HydrophobicContact CG1-CG2 4.04Å; I21-V170 HydrophobicContact CG2-CG2 4.32Å |
| 22 | E | 95.3 | Very high | 86.9 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.4 | 172 | -174.6 | 179.1 | -162.9 | 0 | 0 | 109.6 | L69 I168 Q169 K486 | E22-L69 HydrophobicContact CB-CD2 3.79Å; E22-L69 HydrophobicContact CG-CD2 3.87Å; E22-I168 HydrophobicContact CB-CB 4.47Å; E22-I168 HydrophobicContact CG-CB 4.29Å; E22-I168 HydrophobicContact CG-CD1 4.03Å; E22-I168 HydrophobicContact CG-CG1 4.42Å; E22-I168 PolarHBondContact O-N 2.97Å; E22-Q169 HydrophobicContact CB-CG 3.96Å; E22-Q169 PolarHBondContact N-O 3.17Å; E22-Q169 VanDerWaalsContact OE2-CG 3.23Å; E22-Q169 WeakPolarHBondContact OE2-CG 3.33Å; E22-Q169 PolarHBondContact OE2-NE2 3.38Å; E22-K486 WeakPolarHBondContact OE1-CD 3.26Å; E22-K486 IonicContact OE1-NZ 2.82Å; E22-K486 PolarHBondContact OE1-NZ 2.72Å |
| 23 | L | 95.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 156.4 | 172.6 | -52.3 | -178.3 | 0 | 0 | 0 | 110.8 | I21 V27 K32 L35 N68 Y70 I166 V167 | I21-L23 HydrophobicContact CG2-CD2 3.89Å; L23-V27 HydrophobicContact CB-CG2 4.14Å; L23-V27 HydrophobicContact CD1-CG1 4.42Å; L23-K32 HydrophobicContact CD1-CG 3.93Å; L23-L35 HydrophobicContact CD2-CD2 4.06Å; L23-N68 HydrophobicContact CB-CB 4.07Å; L23-N68 PolarHBondContact N-O 3.43Å; L23-Y70 HydrophobicContact CD1-CD2 3.99Å; L23-Y70 HydrophobicContact CD1-CE2 3.51Å; L23-Y70 HydrophobicContact CG-CD2 4.1Å; L23-Y70 HydrophobicContact CG-CE2 3.99Å; L23-I166 WeakPolarHBondContact CA-O 3.27Å; L23-V167 HydrophobicContact CD2-CB 4.35Å; L23-V167 HydrophobicContact CD2-CG2 3.51Å |
| 24 | A | 93.8 | Very high | 92.1 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 156.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D26 V27 N68 G165 I166 I168 | A24-D26 PolarHBondContact O-N 2.92Å; A24-V27 HydrophobicContact CB-CG2 3.84Å; A24-V27 VanDerWaalsContact O-CG2 3.29Å; A24-V27 WeakPolarHBondContact O-CG2 3.25Å; A24-N68 PolarHBondContact O-ND2 3.5Å; A24-G165 WeakPolarHBondContact CB-O 3.07Å; A24-I166 PolarHBondContact N-O 3.2Å; A24-I168 HydrophobicContact CB-CG1 4.37Å |
| 25 | Q | 87.1 | Confident | 93.4 | Very high | 165 Ų | 165 | 49.9 Ų | 49.9 | 77% | 0.771 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -42.6 | -175.9 | -70.2 | -167.3 | -19.9 | 0 | 0 | 112.4 | V27 N68 | Q25-V27 VanDerWaalsContact C-N 3.3Å; Q25-V27 PolarHBondContact O-N 3.43Å; Q25-N68 WeakPolarHBondContact CA-ND2 3.32Å; Q25-N68 PolarHBondContact O-ND2 2.93Å |
| 26 | D | 88.3 | Confident | 93.8 | Very high | 149 Ų | 149 | 51.1 Ų | 51.1 | 80% | 0.797 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 29.7 | -173.8 | -55.2 | -45.5 | 0 | 0 | 0 | 114.1 | A24 K28 Y146 | A24-D26 PolarHBondContact O-N 2.92Å; D26-K28 PolarHBondContact O-N 3.5Å; D26-Y146 PolarHBondContact O-OH 3.46Å |
| 27 | V | 92.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | trans | -76 | 124.8 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | L23 A24 Q25 T31 K32 Y146 I166 | L23-V27 HydrophobicContact CB-CG2 4.14Å; L23-V27 HydrophobicContact CD1-CG1 4.42Å; A24-V27 HydrophobicContact CB-CG2 3.84Å; A24-V27 VanDerWaalsContact O-CG2 3.29Å; A24-V27 WeakPolarHBondContact O-CG2 3.25Å; Q25-V27 VanDerWaalsContact C-N 3.3Å; Q25-V27 PolarHBondContact O-N 3.43Å; V27-T31 HydrophobicContact CG1-CG2 4.25Å; V27-K32 HydrophobicContact CG1-CG 3.97Å; V27-K32 VanDerWaalsContact O-CE 3.26Å; V27-K32 WeakPolarHBondContact O-CE 3.31Å; V27-Y146 WeakPolarHBondContact CA-OH 3.35Å; V27-I166 HydrophobicContact CG1-CG2 4.06Å; V27-I166 HydrophobicContact CG2-CG2 3.93Å | ||
| 28 | K | 94.1 | Very high | 94.3 | Very high | 113 Ų | 113 | 50.5 Ų | 50.5 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | trans | -61.3 | 141.5 | 178.5 | -63.7 | 178.7 | 178.8 | 178.6 | 0 | 111.6 | D26 E30 T31 K32 G145 | D26-K28 PolarHBondContact O-N 3.5Å; K28-E30 VanDerWaalsContact C-N 3.28Å; K28-E30 PolarHBondContact O-N 3.35Å; K28-T31 WeakPolarHBondContact O-CB 3.4Å; K28-T31 PolarHBondContact O-N 3.13Å; K28-K32 PolarHBondContact O-N 2.95Å; K28-K32 VanDerWaalsContact O-N 3.16Å; K28-G145 WeakPolarHBondContact CE-O 3.32Å; K28-G145 PolarHBondContact NZ-O 2.96Å | ||
| 29 | E | 91.9 | Very high | 94.2 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.4 | -35 | 178.6 | -68.3 | -55.3 | 135.3 | 0 | 0 | 113.2 | T31 K32 E33 | E29-T31 VanDerWaalsContact C-N 3.27Å; E29-T31 PolarHBondContact O-N 2.91Å; E29-K32 PolarHBondContact O-N 3.49Å; E29-K32 VanDerWaalsContact O-N 3.14Å; E29-K32 WeakPolarHBondContact OE1-CD 3.45Å; E29-K32 IonicContact OE1-NZ 3.9Å; E29-K32 PolarHBondContact OE1-NZ 2.84Å; E29-K32 WeakPolarHBondContact OE2-CD 3.49Å; E29-E33 PolarHBondContact O-N 2.89Å |
| 30 | E | 95 | Very high | 94.2 | Very high | 123 Ų | 123 | 53.5 Ų | 53.5 | 58% | 0.575 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -55.6 | -43.2 | 173 | -173.1 | -169.5 | 174.7 | 0 | 0 | 111.7 | K28 W34 P144 | K28-E30 VanDerWaalsContact C-N 3.28Å; K28-E30 PolarHBondContact O-N 3.35Å; E30-W34 VanDerWaalsContact O-CB 3.28Å; E30-W34 WeakPolarHBondContact O-CB 3.41Å; E30-W34 PolarHBondContact O-N 3.48Å; E30-P144 HydrophobicContact CG-CB 4.08Å |
| 31 | T | 95.4 | Very high | 94 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 178.5 | -45.7 | 0 | 0 | 0 | 0 | 111.5 | V27 K28 E29 L35 I143 P144 Y146 I166 | V27-T31 HydrophobicContact CG1-CG2 4.25Å; K28-T31 WeakPolarHBondContact O-CB 3.4Å; K28-T31 PolarHBondContact O-N 3.13Å; E29-T31 VanDerWaalsContact C-N 3.27Å; E29-T31 PolarHBondContact O-N 2.91Å; T31-L35 WeakPolarHBondContact O-CB 3.35Å; T31-L35 PolarHBondContact O-N 3.31Å; T31-I143 HydrophobicContact CG2-CG2 3.74Å; T31-P144 PolarHBondContact OG1-O 2.91Å; T31-Y146 HydrophobicContact CG2-CD2 4.19Å; T31-Y146 HydrophobicContact CG2-CE2 4.1Å; T31-Y146 WeakPolarHBondContact OG1-CD2 3.29Å; T31-Y146 VanDerWaalsContact OG1-CE2 3.31Å; T31-Y146 WeakPolarHBondContact OG1-CE2 3.47Å; T31-I166 HydrophobicContact CG2-CG2 4.23Å |
| 32 | K | 94.2 | Very high | 93.8 | Very high | 17 Ų | 17 | 60.1 Ų | 60.1 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 177.7 | -68.5 | 172.6 | 178.3 | 177.2 | 0 | 111.3 | L23 V27 K28 E29 L35 K36 N68 Y70 | L23-K32 HydrophobicContact CD1-CG 3.93Å; V27-K32 HydrophobicContact CG1-CG 3.97Å; V27-K32 VanDerWaalsContact O-CE 3.26Å; V27-K32 WeakPolarHBondContact O-CE 3.31Å; K28-K32 PolarHBondContact O-N 2.95Å; K28-K32 VanDerWaalsContact O-N 3.16Å; E29-K32 PolarHBondContact O-N 3.49Å; E29-K32 VanDerWaalsContact O-N 3.14Å; E29-K32 WeakPolarHBondContact OE1-CD 3.45Å; E29-K32 IonicContact OE1-NZ 3.9Å; E29-K32 PolarHBondContact OE1-NZ 2.84Å; E29-K32 WeakPolarHBondContact OE2-CD 3.49Å; K32-L35 PolarHBondContact O-N 3.42Å; K32-K36 VanDerWaalsContact O-CB 3.29Å; K32-K36 WeakPolarHBondContact O-CB 3.3Å; K32-K36 PolarHBondContact O-N 3.34Å; K32-N68 PolarHBondContact NZ-OD1 3.29Å; K32-Y70 WeakPolarHBondContact CD-OH 3.4Å |
| 33 | E | 94.7 | Very high | 93.4 | Very high | 83 Ų | 83 | 64 Ų | 64 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 178.4 | -74.7 | -61.1 | 144.1 | 0 | 0 | 111.8 | E29 K36 N37 | E29-E33 PolarHBondContact O-N 2.89Å; E33-K36 PolarHBondContact O-N 3.02Å; E33-K36 IonicContact OE1-NZ 2.83Å; E33-K36 PolarHBondContact OE1-NZ 2.91Å; E33-K36 IonicContact OE2-NZ 2.87Å; E33-K36 PolarHBondContact OE2-NZ 3.48Å; E33-N37 WeakPolarHBondContact O-CB 3.39Å; E33-N37 PolarHBondContact O-N 3.4Å; E33-N37 PolarHBondContact O-ND2 2.98Å; E33-N37 VanDerWaalsContact O-ND2 3.15Å |
| 34 | W | 95.4 | Very high | 93 | Very high | 31 Ų | 31 | 71.8 Ų | 71.8 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 171.7 | 169.4 | 80.8 | 0 | 0 | 0 | 111.9 | E30 K36 N37 R38 E140 I143 P144 L151 L157 L161 | E30-W34 VanDerWaalsContact O-CB 3.28Å; E30-W34 WeakPolarHBondContact O-CB 3.41Å; E30-W34 PolarHBondContact O-N 3.48Å; W34-K36 PolarHBondContact O-N 3.3Å; W34-N37 PolarHBondContact O-N 3.46Å; W34-R38 HydrophobicContact CD2-CG 4.3Å; W34-R38 HydrophobicContact CZ2-CG 4.25Å; W34-R38 WeakPolarHBondContact O-CG 3.39Å; W34-R38 PolarHBondContact O-N 3.26Å; W34-E140 PolarHBondContact NE1-OE1 2.97Å; W34-E140 VanDerWaalsContact NE1-OE1 3.12Å; W34-I143 HydrophobicContact CE3-CG2 4.38Å; W34-I143 HydrophobicContact CH2-CG1 4.41Å; W34-I143 HydrophobicContact CH2-CG2 4.43Å; W34-I143 HydrophobicContact CZ3-CG2 3.93Å; W34-P144 HydrophobicContact CB-CB 4.49Å; W34-P144 HydrophobicContact CB-CG 4.13Å; W34-P144 HydrophobicContact CD2-CG 3.91Å; W34-P144 HydrophobicContact CG-CG 3.67Å; W34-L151 HydrophobicContact CH2-CD1 4.46Å; W34-L151 HydrophobicContact CZ2-CD1 4.45Å; W34-L157 HydrophobicContact CH2-CD1 3.75Å; W34-L157 HydrophobicContact CH2-CD2 3.89Å; W34-L157 HydrophobicContact CH2-CG 4.28Å; W34-L157 HydrophobicContact CZ2-CD1 3.74Å; W34-L157 HydrophobicContact CZ2-CD2 4.01Å; W34-L157 HydrophobicContact CZ2-CG 4.5Å; W34-L161 HydrophobicContact CZ3-CD2 4.48Å |
| 35 | L | 95.3 | Very high | 92.7 | Very high | 10 Ų | 10 | 75.7 Ų | 75.7 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 179.7 | 178.5 | 58.8 | 0 | 0 | 0 | 111.4 | L23 T31 K32 N37 R38 I39 L161 | L23-L35 HydrophobicContact CD2-CD2 4.06Å; T31-L35 WeakPolarHBondContact O-CB 3.35Å; T31-L35 PolarHBondContact O-N 3.31Å; K32-L35 PolarHBondContact O-N 3.42Å; L35-N37 PolarHBondContact O-N 2.99Å; L35-R38 PolarHBondContact O-N 3.39Å; L35-I39 HydrophobicContact CD1-CD1 3.88Å; L35-I39 HydrophobicContact CD1-CG1 4.23Å; L35-I39 HydrophobicContact CG-CD1 3.9Å; L35-I39 VanDerWaalsContact O-CG1 3.32Å; L35-I39 WeakPolarHBondContact O-CG1 3.47Å; L35-I39 PolarHBondContact O-N 3.16Å; L35-L161 HydrophobicContact CD1-CD1 3.76Å; L35-L161 HydrophobicContact CD2-CD1 4.32Å |
| 36 | K | 95.1 | Very high | 92.5 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 174.8 | 172.8 | 177.8 | 160.8 | -147.2 | 0 | 111.5 | K32 E33 W34 R38 I39 I40 F52 | K32-K36 VanDerWaalsContact O-CB 3.29Å; K32-K36 WeakPolarHBondContact O-CB 3.3Å; K32-K36 PolarHBondContact O-N 3.34Å; E33-K36 PolarHBondContact O-N 3.02Å; E33-K36 IonicContact OE1-NZ 2.83Å; E33-K36 PolarHBondContact OE1-NZ 2.91Å; E33-K36 IonicContact OE2-NZ 2.87Å; E33-K36 PolarHBondContact OE2-NZ 3.48Å; W34-K36 PolarHBondContact O-N 3.3Å; K36-R38 VanDerWaalsContact C-N 3.33Å; K36-R38 PolarHBondContact O-N 2.94Å; K36-I39 PolarHBondContact O-N 2.92Å; K36-I40 HydrophobicContact CG-CD1 3.64Å; K36-I40 WeakPolarHBondContact O-CG1 3.5Å; K36-I40 PolarHBondContact O-N 3.43Å; K36-F52 HydrophobicContact CB-CD1 3.99Å; K36-F52 HydrophobicContact CB-CE1 3.95Å; K36-F52 HydrophobicContact CD-CD1 4.25Å; K36-F52 HydrophobicContact CD-CE1 4.42Å; K36-F52 HydrophobicContact CG-CD1 3.77Å; K36-F52 HydrophobicContact CG-CE1 4.15Å |
| 37 | N | 95.3 | Very high | 92.5 | Very high | 95 Ų | 95 | 61.6 Ų | 61.6 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 177.5 | -72.9 | -26.2 | 0 | 0 | 0 | 111.8 | E33 W34 L35 I39 I40 A41 | E33-N37 WeakPolarHBondContact O-CB 3.39Å; E33-N37 PolarHBondContact O-N 3.4Å; E33-N37 PolarHBondContact O-ND2 2.98Å; E33-N37 VanDerWaalsContact O-ND2 3.15Å; W34-N37 PolarHBondContact O-N 3.46Å; L35-N37 PolarHBondContact O-N 2.99Å; N37-I39 PolarHBondContact O-N 3.21Å; N37-I40 PolarHBondContact O-N 2.98Å; N37-A41 WeakPolarHBondContact O-CB 3.44Å; N37-A41 PolarHBondContact O-N 2.88Å |
| 38 | R | 94.2 | Very high | 92.3 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 177.1 | -67.9 | -57.6 | -52.7 | -93.4 | -4.4 | 113 | W34 L35 K36 G46 G47 A48 L135 R136 E140 L157 | W34-R38 HydrophobicContact CD2-CG 4.3Å; W34-R38 HydrophobicContact CZ2-CG 4.25Å; W34-R38 WeakPolarHBondContact O-CG 3.39Å; W34-R38 PolarHBondContact O-N 3.26Å; L35-R38 PolarHBondContact O-N 3.39Å; K36-R38 VanDerWaalsContact C-N 3.33Å; K36-R38 PolarHBondContact O-N 2.94Å; R38-G46 PolarHBondContact NH2-O 3.4Å; R38-G47 WeakPolarHBondContact O-CA 3.34Å; R38-A48 PolarHBondContact O-N 3.18Å; R38-L135 HydrophobicContact CB-CD2 4Å; R38-L135 WeakPolarHBondContact O-CD1 3.25Å; R38-R136 PolarHBondContact NH2-O 3.34Å; R38-E140 IonicContact CZ-OE1 2.74Å; R38-E140 VanDerWaalsContact NH1-CD 3.26Å; R38-E140 IonicContact NH1-OE1 3.96Å; R38-E140 PolarHBondContact NH1-OE1 3.39Å; R38-E140 IonicContact NH1-OE2 3.76Å; R38-E140 PolarHBondContact NH1-OE2 3.22Å; R38-E140 VanDerWaalsContact NH1-OE2 3.14Å; R38-L157 HydrophobicContact CB-CD1 4.35Å; R38-L157 HydrophobicContact CG-CD1 4.17Å |
| 39 | I | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.9 | -42.7 | 178.1 | -68.2 | 171.1 | 0 | 0 | 0 | 111 | I21 L35 K36 N37 Q49 L50 F52 L132 L135 | I21-I39 HydrophobicContact CD1-CD1 4.1Å; L35-I39 HydrophobicContact CD1-CD1 3.88Å; L35-I39 HydrophobicContact CD1-CG1 4.23Å; L35-I39 HydrophobicContact CG-CD1 3.9Å; L35-I39 VanDerWaalsContact O-CG1 3.32Å; L35-I39 WeakPolarHBondContact O-CG1 3.47Å; L35-I39 PolarHBondContact O-N 3.16Å; K36-I39 PolarHBondContact O-N 2.92Å; N37-I39 PolarHBondContact O-N 3.21Å; I39-Q49 PolarHBondContact O-N 3.01Å; I39-Q49 VanDerWaalsContact O-N 3.16Å; I39-L50 HydrophobicContact CG2-CB 3.77Å; I39-L50 HydrophobicContact CG2-CD1 4.41Å; I39-L50 PolarHBondContact O-N 2.88Å; I39-F52 HydrophobicContact CB-CD2 4.43Å; I39-F52 HydrophobicContact CD1-CD2 3.63Å; I39-F52 HydrophobicContact CD1-CE2 3.67Å; I39-F52 HydrophobicContact CG2-CB 4.04Å; I39-F52 HydrophobicContact CG2-CD2 4.08Å; I39-F52 HydrophobicContact CG2-CG 4.45Å; I39-L132 HydrophobicContact CD1-CD2 4.16Å; I39-L132 HydrophobicContact CG1-CD2 4.06Å; I39-L132 HydrophobicContact CG2-CD2 4.47Å; I39-L135 HydrophobicContact CG1-CD2 4.23Å |
| 40 | I | 95.9 | Very high | 92.5 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 40% | 0.395 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -79.8 | -35.2 | -175.3 | -62.3 | 171.7 | 0 | 0 | 0 | 112.7 | K36 N37 L50 F52 | K36-I40 HydrophobicContact CG-CD1 3.64Å; K36-I40 WeakPolarHBondContact O-CG1 3.5Å; K36-I40 PolarHBondContact O-N 3.43Å; N37-I40 PolarHBondContact O-N 2.98Å; I40-L50 WeakPolarHBondContact CA-O 3.38Å; I40-F52 HydrophobicContact CD1-CB 4.12Å; I40-F52 HydrophobicContact CG1-CB 3.9Å |
| 41 | A | 93.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -54.3 | 150.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N37 D45 G47 A48 Q49 | N37-A41 WeakPolarHBondContact O-CB 3.44Å; N37-A41 PolarHBondContact O-N 2.88Å; A41-D45 HydrophobicContact CB-CB 4.45Å; A41-G47 CarbonylContact O-C 3.53Å; A41-G47 VanDerWaalsContact O-CA 3.28Å; A41-G47 WeakPolarHBondContact O-CA 3.29Å; A41-A48 PolarHBondContact O-N 3.27Å; A41-Q49 WeakPolarHBondContact O-CA 3.49Å; A41-Q49 PolarHBondContact O-N 3.42Å |
| 42 | K | 92 | Very high | 92.4 | Very high | 109 Ų | 109 | 53.3 Ų | 53.3 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | trans | -65.9 | 159.7 | -178.1 | -64.6 | 178.9 | -179.2 | 175.9 | 0 | 111 | E44 D45 G46 G47 | K42-E44 VanDerWaalsContact C-N 3.26Å; K42-E44 PolarHBondContact O-N 2.83Å; K42-D45 PolarHBondContact O-N 3.22Å; K42-G46 PolarHBondContact O-N 2.96Å; K42-G47 PolarHBondContact O-N 2.8Å | ||
| 43 | K | 86.7 | Confident | 92.2 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -37.8 | 175.8 | -85.4 | -79.2 | -178.2 | 179.7 | 0 | 113.1 | D45 G46 E131 | K43-D45 VanDerWaalsContact C-N 3.3Å; K43-D45 PolarHBondContact O-N 3.44Å; K43-G46 PolarHBondContact O-N 3.21Å; K43-E131 WeakPolarHBondContact CE-OE2 3.37Å; K43-E131 IonicContact NZ-OE1 3.25Å; K43-E131 IonicContact NZ-OE2 3.65Å; K43-E131 PolarHBondContact NZ-OE2 3.5Å |
| 44 | E | 86.9 | Confident | 91.9 | Very high | 170 Ų | 170 | 53.1 Ų | 53.1 | 79% | 0.794 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -43 | 177.1 | -63.9 | 170.6 | -169.7 | 0 | 0 | 111.2 | K42 G46 | K42-E44 VanDerWaalsContact C-N 3.26Å; K42-E44 PolarHBondContact O-N 2.83Å; E44-G46 PolarHBondContact O-N 3.44Å |
| 45 | D | 87.6 | Confident | 91.4 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 57% | 0.572 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -10.3 | 177.6 | -51.8 | -41 | 0 | 0 | 0 | 112.4 | A41 K42 K43 K138 | A41-D45 HydrophobicContact CB-CB 4.45Å; K42-D45 PolarHBondContact O-N 3.22Å; K43-D45 VanDerWaalsContact C-N 3.3Å; K43-D45 PolarHBondContact O-N 3.44Å; D45-K138 PolarHBondContact O-NZ 3.33Å |
| 46 | G | 81.8 | Confident | 90.7 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 20 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R38 K42 K43 E44 K138 | R38-G46 PolarHBondContact NH2-O 3.4Å; K42-G46 PolarHBondContact O-N 2.96Å; K43-G46 PolarHBondContact O-N 3.21Å; E44-G46 PolarHBondContact O-N 3.44Å; G46-K138 VanDerWaalsContact CA-NZ 3.31Å |
| 47 | G | 88.2 | Confident | 89.7 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -92.7 | -175.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R38 A41 K42 | R38-G47 WeakPolarHBondContact O-CA 3.34Å; A41-G47 CarbonylContact O-C 3.53Å; A41-G47 VanDerWaalsContact O-CA 3.28Å; A41-G47 WeakPolarHBondContact O-CA 3.29Å; K42-G47 PolarHBondContact O-N 2.8Å |
| 48 | A | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -95.7 | -15.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R38 A41 L50 R78 L135 | R38-A48 PolarHBondContact O-N 3.18Å; A41-A48 PolarHBondContact O-N 3.27Å; A48-L50 VanDerWaalsContact C-N 3.3Å; A48-L50 HydrophobicContact CB-CD1 3.76Å; A48-L50 HydrophobicContact CB-CG 3.77Å; A48-L50 PolarHBondContact O-N 3.34Å; A48-R78 PolarHBondContact O-NE 2.71Å; A48-R78 PolarHBondContact O-NH2 2.63Å; A48-L135 HydrophobicContact CB-CD1 4.21Å | ||
| 49 | Q | 94.9 | Very high | 86.6 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 40% | 0.397 | 31% | 0.314 | S | S | . | . | trans | 54.3 | 44.6 | -173 | -161.1 | -177.9 | -13 | 0 | 0 | 112.3 | I39 A41 R78 | I39-Q49 PolarHBondContact O-N 3.01Å; I39-Q49 VanDerWaalsContact O-N 3.16Å; A41-Q49 WeakPolarHBondContact O-CA 3.49Å; A41-Q49 PolarHBondContact O-N 3.42Å; Q49-R78 WeakPolarHBondContact O-CG 3.36Å | ||
| 50 | L | 95.3 | Very high | 85.1 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | trans | -104.9 | 158.1 | 177.8 | -61.6 | 174.1 | 0 | 0 | 0 | 110.4 | I39 I40 A48 V72 A74 I128 E131 L132 | I39-L50 HydrophobicContact CG2-CB 3.77Å; I39-L50 HydrophobicContact CG2-CD1 4.41Å; I39-L50 PolarHBondContact O-N 2.88Å; I40-L50 WeakPolarHBondContact CA-O 3.38Å; A48-L50 VanDerWaalsContact C-N 3.3Å; A48-L50 HydrophobicContact CB-CD1 3.76Å; A48-L50 HydrophobicContact CB-CG 3.77Å; A48-L50 PolarHBondContact O-N 3.34Å; L50-V72 HydrophobicContact CB-CG1 4.13Å; L50-V72 HydrophobicContact CD1-CG1 4.01Å; L50-A74 HydrophobicContact CD2-CB 3.87Å; L50-I128 HydrophobicContact CD1-CG2 4.26Å; L50-I128 HydrophobicContact CD2-CG1 4.35Å; L50-E131 HydrophobicContact CD1-CB 4.2Å; L50-L132 HydrophobicContact CD1-CD2 3.83Å; L50-L132 HydrophobicContact CD1-CG 4.02Å | ||
| 51 | L | 95 | Very high | 83.3 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132.7 | 173.6 | -57.8 | 174 | 0 | 0 | 0 | 108.7 | F15 V72 G73 | F15-L51 HydrophobicContact CB-CD1 3.57Å; F15-L51 HydrophobicContact CD1-CB 3.72Å; F15-L51 HydrophobicContact CD1-CD1 3.82Å; F15-L51 HydrophobicContact CD1-CG 4.36Å; F15-L51 HydrophobicContact CD2-CB 4.22Å; F15-L51 HydrophobicContact CD2-CD1 4.3Å; F15-L51 HydrophobicContact CE1-CB 3.62Å; F15-L51 HydrophobicContact CE2-CB 4.17Å; F15-L51 HydrophobicContact CG-CB 4.02Å; F15-L51 HydrophobicContact CG-CD1 3.64Å; F15-L51 HydrophobicContact CG-CG 4.49Å; F15-L51 HydrophobicContact CZ-CB 3.86Å; L51-V72 WeakPolarHBondContact O-CA 3.43Å; L51-G73 PolarHBondContact N-O 3.43Å; L51-G73 PolarHBondContact O-N 3.4Å |
| 52 | F | 93.6 | Very high | 81.5 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126.9 | -176 | -175 | -88 | 0 | 0 | 0 | 109.5 | I21 K36 I39 I40 Y70 L71 V72 | I21-F52 HydrophobicContact CD1-CE2 4.39Å; K36-F52 HydrophobicContact CB-CD1 3.99Å; K36-F52 HydrophobicContact CB-CE1 3.95Å; K36-F52 HydrophobicContact CD-CD1 4.25Å; K36-F52 HydrophobicContact CD-CE1 4.42Å; K36-F52 HydrophobicContact CG-CD1 3.77Å; K36-F52 HydrophobicContact CG-CE1 4.15Å; I39-F52 HydrophobicContact CB-CD2 4.43Å; I39-F52 HydrophobicContact CD1-CD2 3.63Å; I39-F52 HydrophobicContact CD1-CE2 3.67Å; I39-F52 HydrophobicContact CG2-CB 4.04Å; I39-F52 HydrophobicContact CG2-CD2 4.08Å; I39-F52 HydrophobicContact CG2-CG 4.45Å; I40-F52 HydrophobicContact CD1-CB 4.12Å; I40-F52 HydrophobicContact CG1-CB 3.9Å; F52-Y70 HydrophobicContact CD1-CD1 4.31Å; F52-Y70 AromaticContact CE1-CD1 3.28Å; F52-Y70 HydrophobicContact CE1-CD1 3.28Å; F52-Y70 AromaticContact CE1-CE1 3.88Å; F52-Y70 HydrophobicContact CE1-CE1 3.88Å; F52-Y70 AromaticContact CE1-CG 3.78Å; F52-Y70 HydrophobicContact CE1-CG 3.78Å; F52-Y70 HydrophobicContact CE2-CD1 4.4Å; F52-Y70 HydrophobicContact CE2-CG 4.08Å; F52-Y70 AromaticContact CZ-CD1 3.35Å; F52-Y70 HydrophobicContact CZ-CD1 3.35Å; F52-Y70 HydrophobicContact CZ-CD2 4.05Å; F52-Y70 HydrophobicContact CZ-CE1 4.12Å; F52-Y70 AromaticContact CZ-CG 3.29Å; F52-Y70 HydrophobicContact CZ-CG 3.29Å; F52-L71 WeakPolarHBondContact CA-O 3.24Å; F52-V72 HydrophobicContact CD2-CG2 3.91Å; F52-V72 HydrophobicContact CE2-CG2 4.33Å |
| 53 | R | 89.6 | Confident | 79.8 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 19% | 0.192 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 151.7 | 176 | 70.3 | 179.7 | 179.8 | 99.8 | -8.4 | 111.5 | F15 Y70 L71 | F15-R53 HydrophobicContact CE1-CB 4.21Å; F15-R53 HydrophobicContact CE1-CG 3.77Å; F15-R53 HydrophobicContact CZ-CB 4.46Å; F15-R53 HydrophobicContact CZ-CG 3.76Å; R53-Y70 CarbonylContact O-C 3.59Å; R53-Y70 WeakPolarHBondContact O-CA 3.23Å; R53-L71 HydrophobicContact CG-CB 4.04Å; R53-L71 HydrophobicContact CG-CD1 4.49Å; R53-L71 VanDerWaalsContact CZ-CD1 3.48Å; R53-L71 PolarHBondContact N-O 2.93Å; R53-L71 PolarHBondContact O-N 3.48Å |
| 54 | P | 89.4 | Confident | 78.7 | Confident | 45 Ų | 45 | 68.3 Ų | 68.3 | 29% | 0.292 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 154.9 | 167.7 | 29.2 | -34.9 | 0 | 0 | 0 | 110.7 | L56 Y70 | P54-L56 VanDerWaalsContact C-N 3.33Å; P54-Y70 HydrophobicContact CB-CD1 4.18Å; P54-Y70 HydrophobicContact CB-CE1 4.14Å |
| 55 | L | 85.1 | Confident | 77.6 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -59.5 | -45.5 | 175.9 | 176 | 59.1 | 0 | 0 | 0 | 111.7 | L69 L71 L478 Y479 V482 | L55-L69 HydrophobicContact CB-CB 3.99Å; L55-L69 WeakPolarHBondContact CB-O 3.49Å; L55-L69 HydrophobicContact CD2-CB 3.95Å; L55-L69 HydrophobicContact CD2-CD1 3.76Å; L55-L69 PolarHBondContact N-O 3.26Å; L55-L71 HydrophobicContact CD1-CD1 3.9Å; L55-L71 HydrophobicContact CD1-CD2 4.18Å; L55-L71 HydrophobicContact CD1-CG 4.24Å; L55-L478 HydrophobicContact CD1-CG 4.44Å; L55-Y479 HydrophobicContact CD2-CD2 3.53Å; L55-Y479 HydrophobicContact CD2-CE2 3.9Å; L55-Y479 HydrophobicContact CG-CD2 3.96Å; L55-V482 HydrophobicContact CD1-CB 4.16Å; L55-V482 HydrophobicContact CD1-CG1 4.37Å; L55-V482 HydrophobicContact CD1-CG2 3.84Å; L55-V482 HydrophobicContact CD2-CB 4.1Å; L55-V482 HydrophobicContact CD2-CG1 3.84Å |
| 56 | L | 80.3 | Confident | 76.3 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -106.9 | 137.4 | -179.7 | -65.1 | 173.1 | 0 | 0 | 0 | 110.3 | P54 E60 Q61 L64 Y479 | P54-L56 VanDerWaalsContact C-N 3.33Å; L56-E60 HydrophobicContact CB-CB 4.08Å; L56-E60 HydrophobicContact CD2-CB 3.94Å; L56-Q61 HydrophobicContact CB-CG 3.8Å; L56-Q61 PolarHBondContact O-NE2 3.02Å; L56-L64 HydrophobicContact CD1-CB 3.54Å; L56-L64 HydrophobicContact CD1-CD1 3.94Å; L56-L64 HydrophobicContact CD1-CG 4.39Å; L56-L64 HydrophobicContact CD2-CD1 3.74Å; L56-Y479 HydrophobicContact CD1-CD2 4.2Å; L56-Y479 HydrophobicContact CD1-CE2 3.8Å; L56-Y479 HydrophobicContact CD2-CD2 3.61Å; L56-Y479 HydrophobicContact CD2-CE2 4.1Å; L56-Y479 HydrophobicContact CD2-CG 4.22Å; L56-Y479 HydrophobicContact CG-CD2 3.98Å; L56-Y479 HydrophobicContact CG-CE2 4.08Å |
| 57 | N | 73.6 | Confident | 75.7 | Confident | 81 Ų | 81 | 68 Ų | 68 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | trans | -72.3 | 162.6 | 172.4 | -66.4 | -14.9 | 0 | 0 | 0 | 110.4 | Y59 E60 Q61 | N57-Y59 PolarHBondContact O-N 3.33Å; N57-Y59 VanDerWaalsContact O-N 3.08Å; N57-E60 PolarHBondContact N-OE2 3.29Å; N57-E60 PolarHBondContact O-N 2.93Å; N57-Q61 WeakPolarHBondContact O-CG 3.49Å; N57-Q61 PolarHBondContact O-N 3.4Å | ||
| 58 | K | 66.4 | Low | 75.7 | Confident | 176 Ų | 176 | 68.3 Ų | 68.3 | 77% | 0.765 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -35.7 | -176.8 | -71.6 | -172.2 | 176.1 | -177.6 | 0 | 113.9 | ||
| 59 | Y | 57.5 | Low | 75.8 | Confident | 201 Ų | 201 | 68.5 Ų | 68.5 | 79% | 0.788 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -34.1 | 176.2 | -69.9 | -78.6 | 0 | 0 | 0 | 113.5 | N57 | N57-Y59 PolarHBondContact O-N 3.33Å; N57-Y59 VanDerWaalsContact O-N 3.08Å |
| 60 | E | 62.8 | Low | 75.7 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -22.6 | -179.3 | -57.2 | 175 | 129.2 | 0 | 0 | 112 | L56 N57 E62 T63 L64 S474 | L56-E60 HydrophobicContact CB-CB 4.08Å; L56-E60 HydrophobicContact CD2-CB 3.94Å; N57-E60 PolarHBondContact N-OE2 3.29Å; N57-E60 PolarHBondContact O-N 2.93Å; E60-E62 PolarHBondContact O-N 2.86Å; E60-T63 PolarHBondContact O-N 3.5Å; E60-L64 PolarHBondContact O-N 3.01Å; E60-S474 VanDerWaalsContact OE1-CB 3.23Å; E60-S474 WeakPolarHBondContact OE1-CB 3.36Å; E60-S474 PolarHBondContact OE1-OG 2.98Å |
| 61 | Q | 59.6 | Low | 75.7 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 29% | 0.285 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.3 | 173.4 | -71.8 | 174.9 | 7.3 | 0 | 0 | 113 | L56 N57 T63 L64 | L56-Q61 HydrophobicContact CB-CG 3.8Å; L56-Q61 PolarHBondContact O-NE2 3.02Å; N57-Q61 WeakPolarHBondContact O-CG 3.49Å; N57-Q61 PolarHBondContact O-N 3.4Å; Q61-T63 VanDerWaalsContact C-N 3.3Å; Q61-L64 VanDerWaalsContact O-O 3.13Å |
| 62 | E | 56.6 | Low | 75.7 | Confident | 171 Ų | 171 | 62 Ų | 62 | 80% | 0.799 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -21.6 | 174.4 | -65 | -173.4 | 171.1 | 0 | 0 | 112.2 | E60 | E60-E62 PolarHBondContact O-N 2.86Š|
| 63 | T | 54.5 | Low | 75.8 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 56% | 0.564 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -24 | -175.5 | -10.6 | 0 | 0 | 0 | 0 | 113.3 | E60 Q61 | E60-T63 PolarHBondContact O-N 3.5Å; Q61-T63 VanDerWaalsContact C-N 3.3Å |
| 64 | L | 64 | Low | 76 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -128.9 | 136.8 | -173.8 | -70 | 167.3 | 0 | 0 | 0 | 110.1 | L56 E60 Q61 N66 L470 Y479 | L56-L64 HydrophobicContact CD1-CB 3.54Å; L56-L64 HydrophobicContact CD1-CD1 3.94Å; L56-L64 HydrophobicContact CD1-CG 4.39Å; L56-L64 HydrophobicContact CD2-CD1 3.74Å; E60-L64 PolarHBondContact O-N 3.01Å; Q61-L64 VanDerWaalsContact O-O 3.13Å; L64-N66 PolarHBondContact O-N 2.95Å; L64-L470 HydrophobicContact CD2-CD2 3.27Å; L64-Y479 HydrophobicContact CD1-CD1 4.07Å; L64-Y479 HydrophobicContact CD1-CD2 4.38Å; L64-Y479 HydrophobicContact CD1-CE1 3.9Å; L64-Y479 HydrophobicContact CD1-CE2 4.25Å; L64-Y479 HydrophobicContact CD1-CG 4.31Å; L64-Y479 HydrophobicContact CD2-CE1 3.88Å; L64-Y479 HydrophobicContact CG-CE1 4.46Å |
| 65 | E | 63.4 | Low | 76.2 | Confident | 160 Ų | 160 | 59.9 Ų | 59.9 | 75% | 0.748 | 29% | 0.291 | S | S | * | . | trans | -56.6 | 125.7 | 174.8 | -75.8 | -178 | 164.5 | 0 | 0 | 111.1 | Q67 | E65-Q67 PolarHBondContact O-N 3.14Š| ||
| 66 | N | 61.8 | Low | 76.5 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | trans | -73.4 | 96.3 | 179.4 | -169.1 | 3.4 | 0 | 0 | 0 | 110.5 | L64 N68 | L64-N66 PolarHBondContact O-N 2.95Å; N66-N68 PolarHBondContact O-N 3.32Å; N66-N68 VanDerWaalsContact O-N 3.12Å | ||
| 67 | Q | 68.3 | Low | 77 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | trans | -79.8 | 22 | -178.3 | -63.8 | -166.9 | -10.1 | 0 | 0 | 114.6 | E65 L69 K486 | E65-Q67 PolarHBondContact O-N 3.14Å; Q67-L69 VanDerWaalsContact C-N 3.25Å; Q67-L69 HydrophobicContact CB-CD1 3.92Å; Q67-L69 HydrophobicContact CB-CG 4.26Å; Q67-L69 PolarHBondContact O-N 3.01Å; Q67-K486 VanDerWaalsContact OE1-CE 3.3Å | ||
| 68 | N | 87.7 | Confident | 78 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | trans | 51.2 | 41.2 | -179.2 | -66.4 | -27.8 | 0 | 0 | 0 | 113.9 | L23 A24 Q25 K32 N66 | L23-N68 HydrophobicContact CB-CB 4.07Å; L23-N68 PolarHBondContact N-O 3.43Å; A24-N68 PolarHBondContact O-ND2 3.5Å; Q25-N68 WeakPolarHBondContact CA-ND2 3.32Å; Q25-N68 PolarHBondContact O-ND2 2.93Å; K32-N68 PolarHBondContact NZ-OD1 3.29Å; N66-N68 PolarHBondContact O-N 3.32Å; N66-N68 VanDerWaalsContact O-N 3.12Å | ||
| 69 | L | 91.6 | Very high | 79.3 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.2 | 178.4 | -70.4 | 162.2 | 0 | 0 | 0 | 110.7 | V20 E22 L55 Q67 V482 I483 K486 | V20-L69 HydrophobicContact CG1-CD2 3.86Å; E22-L69 HydrophobicContact CB-CD2 3.79Å; E22-L69 HydrophobicContact CG-CD2 3.87Å; L55-L69 HydrophobicContact CB-CB 3.99Å; L55-L69 WeakPolarHBondContact CB-O 3.49Å; L55-L69 HydrophobicContact CD2-CB 3.95Å; L55-L69 HydrophobicContact CD2-CD1 3.76Å; L55-L69 PolarHBondContact N-O 3.26Å; Q67-L69 VanDerWaalsContact C-N 3.25Å; Q67-L69 HydrophobicContact CB-CD1 3.92Å; Q67-L69 HydrophobicContact CB-CG 4.26Å; Q67-L69 PolarHBondContact O-N 3.01Å; L69-V482 HydrophobicContact CD1-CG1 4.17Å; L69-V482 HydrophobicContact CD2-CG1 4.5Å; L69-I483 HydrophobicContact CD1-CD1 3.82Å; L69-K486 HydrophobicContact CD1-CD 3.9Å; L69-K486 HydrophobicContact CD2-CD 3.86Å; L69-K486 HydrophobicContact CD2-CG 4.39Å; L69-K486 HydrophobicContact CG-CD 4.35Å |
| 70 | Y | 93.8 | Very high | 81.1 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142 | -179.3 | -61.4 | -88 | 0 | 0 | 0 | 111.5 | V20 I21 L23 K32 F52 R53 P54 | V20-Y70 CarbonylContact C-O 3.3Å; V20-Y70 WeakPolarHBondContact CA-O 3.34Å; I21-Y70 PolarHBondContact N-O 3.36Å; I21-Y70 PolarHBondContact O-N 2.93Å; L23-Y70 HydrophobicContact CD1-CD2 3.99Å; L23-Y70 HydrophobicContact CD1-CE2 3.51Å; L23-Y70 HydrophobicContact CG-CD2 4.1Å; L23-Y70 HydrophobicContact CG-CE2 3.99Å; K32-Y70 WeakPolarHBondContact CD-OH 3.4Å; F52-Y70 HydrophobicContact CD1-CD1 4.31Å; F52-Y70 AromaticContact CE1-CD1 3.28Å; F52-Y70 HydrophobicContact CE1-CD1 3.28Å; F52-Y70 AromaticContact CE1-CE1 3.88Å; F52-Y70 HydrophobicContact CE1-CE1 3.88Å; F52-Y70 AromaticContact CE1-CG 3.78Å; F52-Y70 HydrophobicContact CE1-CG 3.78Å; F52-Y70 HydrophobicContact CE2-CD1 4.4Å; F52-Y70 HydrophobicContact CE2-CG 4.08Å; F52-Y70 AromaticContact CZ-CD1 3.35Å; F52-Y70 HydrophobicContact CZ-CD1 3.35Å; F52-Y70 HydrophobicContact CZ-CD2 4.05Å; F52-Y70 HydrophobicContact CZ-CE1 4.12Å; F52-Y70 AromaticContact CZ-CG 3.29Å; F52-Y70 HydrophobicContact CZ-CG 3.29Å; R53-Y70 CarbonylContact O-C 3.59Å; R53-Y70 WeakPolarHBondContact O-CA 3.23Å; P54-Y70 HydrophobicContact CB-CD1 4.18Å; P54-Y70 HydrophobicContact CB-CE1 4.14Å |
| 71 | L | 94.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.4 | -179.4 | -58.1 | 175.2 | 0 | 0 | 0 | 109.8 | P17 V20 F52 R53 L55 L173 L478 V482 | P17-L71 HydrophobicContact CB-CB 4.14Å; P17-L71 HydrophobicContact CB-CD1 4.01Å; P17-L71 HydrophobicContact CB-CD2 4.11Å; P17-L71 HydrophobicContact CB-CG 4.31Å; V20-L71 HydrophobicContact CG2-CD2 3.92Å; F52-L71 WeakPolarHBondContact CA-O 3.24Å; R53-L71 HydrophobicContact CG-CB 4.04Å; R53-L71 HydrophobicContact CG-CD1 4.49Å; R53-L71 VanDerWaalsContact CZ-CD1 3.48Å; R53-L71 PolarHBondContact N-O 2.93Å; R53-L71 PolarHBondContact O-N 3.48Å; L55-L71 HydrophobicContact CD1-CD1 3.9Å; L55-L71 HydrophobicContact CD1-CD2 4.18Å; L55-L71 HydrophobicContact CD1-CG 4.24Å; L71-L173 HydrophobicContact CD2-CD1 4.49Å; L71-L478 HydrophobicContact CD1-CD2 3.9Å; L71-V482 HydrophobicContact CD2-CG2 4.27Å |
| 72 | V | 96.4 | Very high | 84 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.1 | 178.9 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | L18 V19 I21 L50 L51 F52 I128 | L18-V72 PolarHBondContact N-O 3.45Å; L18-V72 VanDerWaalsContact N-O 3.1Å; V19-V72 HydrophobicContact CB-CB 4.35Å; V19-V72 PolarHBondContact N-O 3.13Å; V19-V72 VanDerWaalsContact N-O 3.15Å; V19-V72 PolarHBondContact O-N 2.99Å; I21-V72 HydrophobicContact CD1-CG2 3.66Å; I21-V72 HydrophobicContact CG1-CG2 3.98Å; L50-V72 HydrophobicContact CB-CG1 4.13Å; L50-V72 HydrophobicContact CD1-CG1 4.01Å; L51-V72 WeakPolarHBondContact O-CA 3.43Å; F52-V72 HydrophobicContact CD2-CG2 3.91Å; F52-V72 HydrophobicContact CE2-CG2 4.33Å; V72-I128 HydrophobicContact CB-CG2 4.43Å; V72-I128 HydrophobicContact CG1-CG2 3.81Å |
| 73 | G | 95.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | -167.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F15 L51 | F15-G73 VanDerWaalsContact CE2-CA 3.49Å; F15-G73 VanDerWaalsContact CE2-N 3.28Å; L51-G73 PolarHBondContact N-O 3.43Å; L51-G73 PolarHBondContact O-N 3.4Å |
| 74 | A | 93.9 | Very high | 87.5 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | trans | -158.9 | 163.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L50 R78 M79 | L50-A74 HydrophobicContact CD2-CB 3.87Å; A74-R78 HydrophobicContact CB-CB 4.26Å; A74-R78 HydrophobicContact CB-CG 4.06Å; A74-M79 HydrophobicContact CB-CG 4Å; A74-M79 HydrophobicContact CB-SD 3.46Å; A74-M79 WeakPolarHBondContact CB-SD 3.34Å | ||
| 75 | S | 92.9 | Very high | 88.6 | Confident | 60 Ų | 60 | 38.2 Ų | 38.2 | 42% | 0.42 | 20% | 0.204 | S | C | . | . | trans | -75.6 | 155.9 | 170.7 | 67 | 0 | 0 | 0 | 0 | 111.5 | I77 R78 M79 | S75-I77 VanDerWaalsContact C-N 3.33Å; S75-I77 PolarHBondContact O-N 3.34Å; S75-R78 WeakPolarHBondContact O-CA 3.49Å; S75-R78 WeakPolarHBondContact O-CB 3.38Å; S75-R78 PolarHBondContact O-N 2.75Å; S75-R78 WeakPolarHBondContact OG-CB 3.12Å; S75-R78 PolarHBondContact OG-N 3.08Å; S75-M79 WeakPolarHBondContact O-CG 3.33Å; S75-M79 PolarHBondContact O-N 3.36Å | ||
| 76 | K | 90.4 | Very high | 89.7 | Confident | 68 Ų | 68 | 30.9 Ų | 30.9 | 30% | 0.296 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -52.2 | -47.5 | 178.6 | -173.8 | 180 | -171.2 | 166.9 | 0 | 113.3 | R78 M79 L80 D113 N115 D116 | K76-R78 VanDerWaalsContact C-N 3.29Å; K76-R78 PolarHBondContact O-N 2.76Å; K76-M79 WeakPolarHBondContact O-CB 3.28Å; K76-M79 PolarHBondContact O-N 2.91Å; K76-M79 VanDerWaalsContact O-N 3.14Å; K76-L80 WeakPolarHBondContact O-CG 3.48Å; K76-L80 PolarHBondContact O-N 3.24Å; K76-D113 PolarHBondContact NZ-O 3.3Å; K76-N115 WeakPolarHBondContact CE-O 3.35Å; K76-N115 PolarHBondContact NZ-O 3.02Å; K76-D116 VanDerWaalsContact CD-OD1 3.3Å; K76-D116 WeakPolarHBondContact CD-OD1 3.33Å; K76-D116 VanDerWaalsContact CE-OD1 3.24Å; K76-D116 WeakPolarHBondContact CE-OD1 3.4Å; K76-D116 IonicContact NZ-OD1 3.55Å; K76-D116 PolarHBondContact NZ-OD1 2.95Å |
| 77 | I | 92.1 | Very high | 91.1 | Very high | 94 Ų | 94 | 28.8 Ų | 28.8 | 48% | 0.482 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 179 | -59 | 169.7 | 0 | 0 | 0 | 110.3 | S75 M79 L80 L81 Y102 | S75-I77 VanDerWaalsContact C-N 3.33Å; S75-I77 PolarHBondContact O-N 3.34Å; I77-M79 VanDerWaalsContact C-N 3.29Å; I77-M79 PolarHBondContact O-N 3.22Å; I77-L80 PolarHBondContact O-N 3.28Å; I77-L81 HydrophobicContact CG2-CD1 4.22Å; I77-L81 WeakPolarHBondContact O-CG 3.09Å; I77-L81 PolarHBondContact O-N 2.85Å; I77-Y102 HydrophobicContact CG2-CE2 4.28Å |
| 78 | R | 93.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 3% | 0.034 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 178.2 | 179.1 | 63.3 | -172.9 | 96.8 | -8.8 | 112.1 | A48 Q49 A74 S75 K76 G82 E131 | A48-R78 PolarHBondContact O-NE 2.71Å; A48-R78 PolarHBondContact O-NH2 2.63Å; Q49-R78 WeakPolarHBondContact O-CG 3.36Å; A74-R78 HydrophobicContact CB-CB 4.26Å; A74-R78 HydrophobicContact CB-CG 4.06Å; S75-R78 WeakPolarHBondContact O-CA 3.49Å; S75-R78 WeakPolarHBondContact O-CB 3.38Å; S75-R78 PolarHBondContact O-N 2.75Å; S75-R78 WeakPolarHBondContact OG-CB 3.12Å; S75-R78 PolarHBondContact OG-N 3.08Å; K76-R78 VanDerWaalsContact C-N 3.29Å; K76-R78 PolarHBondContact O-N 2.76Å; R78-G82 PolarHBondContact O-N 3Å; R78-E131 IonicContact CZ-OE1 3.39Å; R78-E131 IonicContact NH1-OE1 2.77Å; R78-E131 PolarHBondContact NH1-OE1 3.08Å; R78-E131 IonicContact NH2-OE1 2.87Å; R78-E131 PolarHBondContact NH2-OE1 3.22Å; R78-E131 IonicContact NH2-OE2 2.88Å; R78-E131 PolarHBondContact NH2-OE2 3.24Å; R78-E131 VanDerWaalsContact NH2-OE2 3.09Å |
| 79 | M | 94.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 5% | 0.054 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -42.2 | 175.6 | -64.5 | -51.4 | -76.3 | 0 | 0 | 112.3 | A74 S75 K76 I77 G82 A83 L119 C124 I127 I128 | A74-M79 HydrophobicContact CB-CG 4Å; A74-M79 HydrophobicContact CB-SD 3.46Å; A74-M79 WeakPolarHBondContact CB-SD 3.34Å; S75-M79 WeakPolarHBondContact O-CG 3.33Å; S75-M79 PolarHBondContact O-N 3.36Å; K76-M79 WeakPolarHBondContact O-CB 3.28Å; K76-M79 PolarHBondContact O-N 2.91Å; K76-M79 VanDerWaalsContact O-N 3.14Å; I77-M79 VanDerWaalsContact C-N 3.29Å; I77-M79 PolarHBondContact O-N 3.22Å; M79-G82 CarbonylContact O-C 3.58Å; M79-G82 PolarHBondContact O-N 3.06Å; M79-A83 WeakPolarHBondContact O-CB 3.2Å; M79-A83 PolarHBondContact O-N 2.87Å; M79-L119 HydrophobicContact CB-CD1 3.94Å; M79-C124 HydrophobicContact CE-CB 3.37Å; M79-C124 WeakPolarHBondContact CE-O 3.45Å; M79-C124 VanDerWaalsContact CE-SG 3.52Å; M79-I127 HydrophobicContact CE-CB 3.96Å; M79-I127 HydrophobicContact CE-CD1 4.14Å; M79-I127 HydrophobicContact CE-CG2 4.08Å; M79-I127 HydrophobicContact SD-CG2 4.23Å; M79-I128 HydrophobicContact CE-CG1 4.31Å; M79-I128 HydrophobicContact SD-CG1 4.26Å |
| 80 | L | 94.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.5 | -61.6 | 173 | 0 | 0 | 0 | 111.7 | K76 I77 G82 A83 E84 F100 Y102 F111 F118 L119 | K76-L80 WeakPolarHBondContact O-CG 3.48Å; K76-L80 PolarHBondContact O-N 3.24Å; I77-L80 PolarHBondContact O-N 3.28Å; L80-G82 VanDerWaalsContact C-N 3.3Å; L80-G82 PolarHBondContact O-N 2.88Å; L80-A83 WeakPolarHBondContact O-CB 3.27Å; L80-A83 PolarHBondContact O-N 3.49Å; L80-E84 PolarHBondContact O-N 2.83Å; L80-E84 VanDerWaalsContact O-N 3.09Å; L80-F100 HydrophobicContact CB-CE1 4Å; L80-F100 HydrophobicContact CB-CZ 4.16Å; L80-F100 HydrophobicContact CD2-CE1 4.21Å; L80-F100 HydrophobicContact CD2-CZ 3.77Å; L80-F100 HydrophobicContact CG-CZ 4.45Å; L80-F100 VanDerWaalsContact O-CE1 3.31Å; L80-F100 WeakPolarHBondContact O-CE1 3.47Å; L80-Y102 HydrophobicContact CB-CD2 3.83Å; L80-Y102 HydrophobicContact CB-CE2 4.25Å; L80-Y102 HydrophobicContact CD1-CD2 4.2Å; L80-Y102 HydrophobicContact CD1-CE2 3.94Å; L80-F111 HydrophobicContact CD1-CE2 3.96Å; L80-F111 HydrophobicContact CD1-CZ 4.28Å; L80-F111 HydrophobicContact CD2-CE2 4.15Å; L80-F118 HydrophobicContact CD2-CD1 3.98Å; L80-F118 HydrophobicContact CD2-CE1 4.34Å; L80-L119 HydrophobicContact CD2-CD1 4.13Å; L80-L119 HydrophobicContact CD2-CG 4.42Å |
| 81 | L | 92.6 | Very high | 92.8 | Very high | 72 Ų | 72 | 30.1 Ų | 30.1 | 38% | 0.377 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 173.6 | -67.3 | 173.1 | 0 | 0 | 0 | 112 | I77 E84 A85 Y102 | I77-L81 HydrophobicContact CG2-CD1 4.22Å; I77-L81 WeakPolarHBondContact O-CG 3.09Å; I77-L81 PolarHBondContact O-N 2.85Å; L81-E84 PolarHBondContact O-N 3.37Å; L81-A85 PolarHBondContact O-N 3.34Å; L81-Y102 HydrophobicContact CD2-CD1 4.35Å; L81-Y102 HydrophobicContact CD2-CD2 4.45Å; L81-Y102 HydrophobicContact CD2-CG 3.98Å |
| 82 | G | 90.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.1 | -37.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R78 M79 L80 E84 A85 V86 | R78-G82 PolarHBondContact O-N 3Å; M79-G82 CarbonylContact O-C 3.58Å; M79-G82 PolarHBondContact O-N 3.06Å; L80-G82 VanDerWaalsContact C-N 3.3Å; L80-G82 PolarHBondContact O-N 2.88Å; G82-E84 VanDerWaalsContact C-N 3.33Å; G82-E84 PolarHBondContact O-N 3.3Å; G82-A85 PolarHBondContact O-N 2.69Å; G82-V86 WeakPolarHBondContact O-CB 3.1Å; G82-V86 VanDerWaalsContact O-CG2 3.22Å; G82-V86 WeakPolarHBondContact O-CG2 3.16Å; G82-V86 PolarHBondContact O-N 2.87Å |
| 83 | A | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M79 L80 V86 G87 L88 F100 L119 I127 | M79-A83 WeakPolarHBondContact O-CB 3.2Å; M79-A83 PolarHBondContact O-N 2.87Å; L80-A83 WeakPolarHBondContact O-CB 3.27Å; L80-A83 PolarHBondContact O-N 3.49Å; A83-V86 PolarHBondContact O-N 2.89Å; A83-G87 PolarHBondContact O-N 3.33Å; A83-L88 HydrophobicContact CB-CD1 3.88Å; A83-L88 HydrophobicContact CB-CG 4.4Å; A83-L88 PolarHBondContact O-N 2.72Å; A83-L88 VanDerWaalsContact O-N 3.09Å; A83-F100 HydrophobicContact CB-CD1 3.83Å; A83-F100 HydrophobicContact CB-CE1 4.26Å; A83-L119 HydrophobicContact CB-CD1 4.25Å; A83-L119 HydrophobicContact CB-CD2 4.23Å; A83-I127 HydrophobicContact CB-CD1 3.9Å |
| 84 | E | 92.3 | Very high | 92.6 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 35% | 0.346 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.6 | -46.6 | 172.4 | 178.1 | 175.2 | 167.1 | 0 | 0 | 111.5 | L80 L81 G82 V86 G87 F100 T101 Y102 | L80-E84 PolarHBondContact O-N 2.83Å; L80-E84 VanDerWaalsContact O-N 3.09Å; L81-E84 PolarHBondContact O-N 3.37Å; G82-E84 VanDerWaalsContact C-N 3.33Å; G82-E84 PolarHBondContact O-N 3.3Å; E84-V86 PolarHBondContact O-N 3.49Å; E84-G87 PolarHBondContact O-N 3.35Å; E84-F100 WeakPolarHBondContact CA-O 3.38Å; E84-F100 HydrophobicContact CB-CD1 4.39Å; E84-T101 HydrophobicContact CG-CG2 4.41Å; E84-Y102 WeakPolarHBondContact OE2-CB 3.09Å; E84-Y102 PolarHBondContact OE2-N 3.5Å |
| 85 | A | 87.3 | Confident | 92.6 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -34 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L81 G82 G87 | L81-A85 PolarHBondContact O-N 3.34Å; G82-A85 PolarHBondContact O-N 2.69Å; A85-G87 VanDerWaalsContact C-N 3.35Å |
| 86 | V | 87.5 | Confident | 92.6 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.6 | -26.5 | 173.9 | 165.8 | 0 | 0 | 0 | 0 | 112.1 | G82 A83 E84 L88 F126 I127 H130 M277 K280 | G82-V86 WeakPolarHBondContact O-CB 3.1Å; G82-V86 VanDerWaalsContact O-CG2 3.22Å; G82-V86 WeakPolarHBondContact O-CG2 3.16Å; G82-V86 PolarHBondContact O-N 2.87Å; A83-V86 PolarHBondContact O-N 2.89Å; E84-V86 PolarHBondContact O-N 3.49Å; V86-L88 HydrophobicContact CB-CG 4.36Å; V86-L88 HydrophobicContact CG1-CD2 3.61Å; V86-L88 HydrophobicContact CG1-CG 3.77Å; V86-F126 HydrophobicContact CG1-CD1 4.13Å; V86-F126 HydrophobicContact CG1-CE1 3.49Å; V86-F126 VanDerWaalsContact CG1-CE1 3.49Å; V86-F126 HydrophobicContact CG1-CZ 4.41Å; V86-I127 HydrophobicContact CG2-CG1 4.09Å; V86-H130 HydrophobicContact CG2-CB 4.09Å; V86-H130 VanDerWaalsContact CG2-CD2 3.42Å; V86-H130 WeakPolarHBondContact CG2-CD2 3.29Å; V86-M277 HydrophobicContact CG1-CE 4.43Å; V86-K280 VanDerWaalsContact CA-NZ 3.25Å; V86-K280 WeakPolarHBondContact O-CE 3.46Å; V86-K280 PolarHBondContact O-NZ 3.47Å |
| 87 | G | 89.9 | Confident | 92.8 | Very high | 26 Ų | 26 | 39 Ų | 39 | 27% | 0.268 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 40.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A83 E84 A85 V89 | A83-G87 PolarHBondContact O-N 3.33Å; E84-G87 PolarHBondContact O-N 3.35Å; A85-G87 VanDerWaalsContact C-N 3.35Å; G87-V89 PolarHBondContact O-N 3.5Å |
| 88 | L | 91.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | trans | -59.5 | 136.9 | 173 | -68.6 | -176.8 | 0 | 0 | 0 | 109.9 | A83 V86 A99 F100 L119 E123 I127 M277 | A83-L88 HydrophobicContact CB-CD1 3.88Å; A83-L88 HydrophobicContact CB-CG 4.4Å; A83-L88 PolarHBondContact O-N 2.72Å; A83-L88 VanDerWaalsContact O-N 3.09Å; V86-L88 HydrophobicContact CB-CG 4.36Å; V86-L88 HydrophobicContact CG1-CD2 3.61Å; V86-L88 HydrophobicContact CG1-CG 3.77Å; L88-A99 CarbonylContact O-C 3.53Å; L88-A99 WeakPolarHBondContact O-CA 3.32Å; L88-F100 WeakPolarHBondContact O-CB 3.49Å; L88-F100 PolarHBondContact O-N 3.1Å; L88-L119 HydrophobicContact CD1-CD2 4.2Å; L88-E123 HydrophobicContact CD1-CB 4.24Å; L88-E123 HydrophobicContact CD1-CG 4.36Å; L88-I127 HydrophobicContact CD1-CD1 4.14Å; L88-M277 HydrophobicContact CD2-CE 4.21Å | ||
| 89 | V | 94.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.5 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | G87 M97 R98 G273 L276 M277 | G87-V89 PolarHBondContact O-N 3.5Å; V89-M97 HydrophobicContact CG1-CB 3.9Å; V89-M97 HydrophobicContact CG1-CE 4.27Å; V89-R98 CarbonylContact C-O 3.58Å; V89-R98 WeakPolarHBondContact CA-O 3.4Å; V89-G273 WeakPolarHBondContact CB-O 3.34Å; V89-L276 HydrophobicContact CG1-CB 4.1Å; V89-L276 HydrophobicContact CG1-CD1 4.12Å; V89-L276 HydrophobicContact CG2-CB 4.13Å; V89-M277 HydrophobicContact CB-CG 4.29Å; V89-M277 HydrophobicContact CG2-CG 3.71Å |
| 90 | K | 94.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 160.4 | -178 | -64.8 | -68.2 | -140.1 | -178.7 | 0 | 110.5 | R98 F108 F118 E123 | K90-R98 PolarHBondContact N-O 2.95Å; K90-R98 PolarHBondContact O-N 3.06Å; K90-F108 HydrophobicContact CB-CD1 3.59Å; K90-F108 HydrophobicContact CB-CE1 3.97Å; K90-F108 HydrophobicContact CB-CG 4.45Å; K90-F118 HydrophobicContact CB-CZ 4.38Å; K90-F118 HydrophobicContact CD-CZ 4.44Å; K90-F118 HydrophobicContact CG-CZ 3.98Å; K90-F118 PolarHBondContact NZ-O 2.95Å; K90-E123 IonicContact NZ-OE1 3.89Å; K90-E123 PolarHBondContact NZ-OE1 3.48Å; K90-E123 IonicContact NZ-OE2 2.9Å; K90-E123 PolarHBondContact NZ-OE2 3.41Å |
| 91 | E | 95.8 | Very high | 92.8 | Very high | 73 Ų | 73 | 42 Ų | 42 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 129.9 | 176.9 | -165.8 | -177.9 | -166.6 | 0 | 0 | 110.6 | N95 T96 M97 K109 | E91-N95 PolarHBondContact OE1-OD1 3.15Å; E91-T96 CarbonylContact C-O 3.58Å; E91-M97 VanDerWaalsContact CA-SD 3.57Å; E91-M97 HydrophobicContact CB-SD 3.67Å; E91-M97 HydrophobicContact CG-SD 4.08Å; E91-K109 HydrophobicContact CG-CD 4.34Å; E91-K109 PolarHBondContact O-N 3.23Å; E91-K109 IonicContact OE1-NZ 3.08Å; E91-K109 PolarHBondContact OE1-NZ 3.14Å; E91-K109 WeakPolarHBondContact OE2-CD 3.33Å; E91-K109 IonicContact OE2-NZ 3.74Å; E91-K109 PolarHBondContact OE2-NZ 3.15Å |
| 92 | C | 95.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 5% | 0.054 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 164 | 173.5 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | D94 N95 T96 N107 F108 | C92-D94 WeakPolarHBondContact CB-OD1 3.29Å; C92-D94 PolarHBondContact O-N 2.9Å; C92-D94 VanDerWaalsContact O-N 3.16Å; C92-N95 WeakPolarHBondContact O-CA 3.31Å; C92-N95 PolarHBondContact O-N 2.94Å; C92-T96 WeakPolarHBondContact CB-O 3.38Å; C92-T96 PolarHBondContact N-O 2.83Å; C92-N107 CarbonylContact C-O 3.6Å; C92-N107 VanDerWaalsContact CA-O 3.27Å; C92-N107 WeakPolarHBondContact CA-O 3.33Å; C92-F108 VanDerWaalsContact SG-CE1 3.52Å |
| 93 | N | 94.7 | Very high | 93.1 | Very high | 101 Ų | 101 | 52.5 Ų | 52.5 | 54% | 0.54 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.9 | 179.4 | -68.7 | -29.7 | 0 | 0 | 0 | 113.7 | N95 Q106 N107 K109 | N93-N95 PolarHBondContact O-N 3.23Å; N93-Q106 PolarHBondContact ND2-O 3.35Å; N93-N107 PolarHBondContact N-O 2.75Å; N93-K109 VanDerWaalsContact OD1-CA 3.3Å; N93-K109 WeakPolarHBondContact OD1-CA 3.13Å |
| 94 | D | 93.6 | Very high | 93.2 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.2 | 173.1 | 65.5 | -6.7 | 0 | 0 | 0 | 113.3 | C92 T96 | C92-D94 WeakPolarHBondContact CB-OD1 3.29Å; C92-D94 PolarHBondContact O-N 2.9Å; C92-D94 VanDerWaalsContact O-N 3.16Å; D94-T96 PolarHBondContact O-N 2.67Å; D94-T96 WeakPolarHBondContact OD1-CB 3.49Å; D94-T96 PolarHBondContact OD1-N 2.99Å; D94-T96 PolarHBondContact OD1-OG1 3.13Å; D94-T96 WeakPolarHBondContact OD2-CG2 3.28Å; D94-T96 PolarHBondContact OD2-OG1 3.12Å; D94-T96 VanDerWaalsContact OD2-OG1 3.1Å |
| 95 | N | 92.7 | Very high | 93.2 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 61.1 | 22.3 | -174.2 | -48.3 | -66.1 | 0 | 0 | 0 | 114.1 | E91 C92 N93 | E91-N95 PolarHBondContact OE1-OD1 3.15Å; C92-N95 WeakPolarHBondContact O-CA 3.31Å; C92-N95 PolarHBondContact O-N 2.94Å; N93-N95 PolarHBondContact O-N 3.23Å |
| 96 | T | 94.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | trans | -89.6 | 151.3 | 168.8 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | E91 C92 D94 R98 | E91-T96 CarbonylContact C-O 3.58Å; C92-T96 WeakPolarHBondContact CB-O 3.38Å; C92-T96 PolarHBondContact N-O 2.83Å; D94-T96 PolarHBondContact O-N 2.67Å; D94-T96 WeakPolarHBondContact OD1-CB 3.49Å; D94-T96 PolarHBondContact OD1-N 2.99Å; D94-T96 PolarHBondContact OD1-OG1 3.13Å; D94-T96 WeakPolarHBondContact OD2-CG2 3.28Å; D94-T96 PolarHBondContact OD2-OG1 3.12Å; D94-T96 VanDerWaalsContact OD2-OG1 3.1Å; T96-R98 PolarHBondContact OG1-NE 3.37Å | ||
| 97 | M | 94.8 | Very high | 94 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.069 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119 | 176.1 | -66.9 | -63.6 | -77.9 | 0 | 0 | 108.3 | V89 E91 Y270 R271 G273 L276 | V89-M97 HydrophobicContact CG1-CB 3.9Å; V89-M97 HydrophobicContact CG1-CE 4.27Å; E91-M97 VanDerWaalsContact CA-SD 3.57Å; E91-M97 HydrophobicContact CB-SD 3.67Å; E91-M97 HydrophobicContact CG-SD 4.08Å; M97-Y270 HydrophobicContact CG-CE1 3.83Å; M97-R271 WeakPolarHBondContact CE-O 3.39Å; M97-G273 VanDerWaalsContact CE-CA 3.44Å; M97-L276 HydrophobicContact CB-CD1 3.38Å; M97-L276 HydrophobicContact CG-CD1 4.42Å |
| 98 | R | 93.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 58.6 Ų | 58.6 | 33% | 0.328 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.6 | -179.6 | -59.9 | -159.7 | -166.8 | -118 | 2 | 112.3 | V89 K90 T96 F100 F108 E630 | V89-R98 CarbonylContact C-O 3.58Å; V89-R98 WeakPolarHBondContact CA-O 3.4Å; K90-R98 PolarHBondContact N-O 2.95Å; K90-R98 PolarHBondContact O-N 3.06Å; T96-R98 PolarHBondContact OG1-NE 3.37Å; R98-F100 PolarHBondContact O-N 2.94Å; R98-F108 HydrophobicContact CB-CE1 4.44Å; R98-E630 IonicContact CZ-OE2 2.78Å; R98-E630 IonicContact NH1-OE2 3.19Å; R98-E630 PolarHBondContact NH1-OE2 3.43Å; R98-E630 IonicContact NH2-OE1 2.75Å; R98-E630 IonicContact NH2-OE2 3.79Å; R98-E630 PolarHBondContact NH2-OE2 2.74Å |
| 99 | A | 93.3 | Very high | 94.4 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 132.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L88 F108 | L88-A99 CarbonylContact O-C 3.53Å; L88-A99 WeakPolarHBondContact O-CA 3.32Å; A99-F108 WeakPolarHBondContact O-CZ 2.8Å |
| 100 | F | 94.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | trans | -67.9 | 131.4 | 179.6 | -178.6 | -95.6 | 0 | 0 | 0 | 110.7 | L80 A83 E84 L88 R98 R105 F108 F118 | L80-F100 HydrophobicContact CB-CE1 4Å; L80-F100 HydrophobicContact CB-CZ 4.16Å; L80-F100 HydrophobicContact CD2-CE1 4.21Å; L80-F100 HydrophobicContact CD2-CZ 3.77Å; L80-F100 HydrophobicContact CG-CZ 4.45Å; L80-F100 VanDerWaalsContact O-CE1 3.31Å; L80-F100 WeakPolarHBondContact O-CE1 3.47Å; A83-F100 HydrophobicContact CB-CD1 3.83Å; A83-F100 HydrophobicContact CB-CE1 4.26Å; E84-F100 WeakPolarHBondContact CA-O 3.38Å; E84-F100 HydrophobicContact CB-CD1 4.39Å; L88-F100 WeakPolarHBondContact O-CB 3.49Å; L88-F100 PolarHBondContact O-N 3.1Å; R98-F100 PolarHBondContact O-N 2.94Å; F100-R105 HydrophobicContact CE2-CB 3.91Å; F100-R105 HydrophobicContact CZ-CB 3.9Å; F100-F108 HydrophobicContact CB-CZ 4.38Å; F100-F108 AromaticContact CD2-CD2 3.72Å; F100-F108 HydrophobicContact CD2-CD2 3.72Å; F100-F108 AromaticContact CD2-CE2 3.72Å; F100-F108 HydrophobicContact CD2-CE2 3.72Å; F100-F108 HydrophobicContact CD2-CG 4.18Å; F100-F108 HydrophobicContact CD2-CZ 4.19Å; F100-F108 AromaticContact CE2-CD2 3.99Å; F100-F108 HydrophobicContact CE2-CD2 3.99Å; F100-F108 HydrophobicContact CE2-CE2 4.26Å; F100-F108 HydrophobicContact CG-CE2 4.48Å; F100-F118 AromaticContact CD2-CE1 3.77Å; F100-F118 HydrophobicContact CD2-CE1 3.77Å; F100-F118 AromaticContact CD2-CZ 3.83Å; F100-F118 HydrophobicContact CD2-CZ 3.83Å; F100-F118 AromaticContact CE2-CE1 3.49Å; F100-F118 HydrophobicContact CE2-CE1 3.49Å; F100-F118 VanDerWaalsContact CE2-CE1 3.49Å; F100-F118 AromaticContact CE2-CZ 3.78Å; F100-F118 HydrophobicContact CE2-CZ 3.78Å; F100-F118 HydrophobicContact CZ-CE1 4.17Å | ||
| 101 | T | 93.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 64 Ų | 64 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | trans | -133 | 143.2 | 167.1 | 76.8 | 0 | 0 | 0 | 0 | 109.9 | E84 R103 T104 R105 | E84-T101 HydrophobicContact CG-CG2 4.41Å; T101-R103 PolarHBondContact O-N 2.93Å; T101-T104 CarbonylContact O-C 3.58Å; T101-T104 PolarHBondContact O-N 3.49Å; T101-T104 PolarHBondContact OG1-N 3.46Å; T101-T104 PolarHBondContact OG1-OG1 3.41Å; T101-R105 PolarHBondContact O-N 3.2Å; T101-R105 VanDerWaalsContact O-N 3.14Å | ||
| 102 | Y | 93.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 65 Ų | 65 | 26% | 0.255 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -63.8 | -30.8 | -178.1 | -174.8 | -100.7 | 0 | 0 | 0 | 112.5 | I77 L80 L81 E84 R105 | I77-Y102 HydrophobicContact CG2-CE2 4.28Å; L80-Y102 HydrophobicContact CB-CD2 3.83Å; L80-Y102 HydrophobicContact CB-CE2 4.25Å; L80-Y102 HydrophobicContact CD1-CD2 4.2Å; L80-Y102 HydrophobicContact CD1-CE2 3.94Å; L81-Y102 HydrophobicContact CD2-CD1 4.35Å; L81-Y102 HydrophobicContact CD2-CD2 4.45Å; L81-Y102 HydrophobicContact CD2-CG 3.98Å; E84-Y102 WeakPolarHBondContact OE2-CB 3.09Å; E84-Y102 PolarHBondContact OE2-N 3.5Å; Y102-R105 WeakPolarHBondContact O-CD 3.43Å; Y102-R105 WeakPolarHBondContact O-CG 3.48Å; Y102-R105 PolarHBondContact O-NH1 3.09Å; Y102-R105 VanDerWaalsContact O-NH1 3.08Å |
| 103 | R | 94.7 | Very high | 93.3 | Very high | 229 Ų | 229 | 68.6 Ų | 68.6 | 86% | 0.864 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -38 | 177.5 | -66.2 | -176.3 | -178.7 | -179.2 | 0.9 | 112.3 | T101 | T101-R103 PolarHBondContact O-N 2.93Š|
| 104 | T | 94.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 71.1 Ų | 71.1 | 37% | 0.368 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 19.5 | -179 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | T101 Q106 N107 | T101-T104 CarbonylContact O-C 3.58Å; T101-T104 PolarHBondContact O-N 3.49Å; T101-T104 PolarHBondContact OG1-N 3.46Å; T101-T104 PolarHBondContact OG1-OG1 3.41Å; T104-Q106 PolarHBondContact O-N 2.98Å; T104-Q106 VanDerWaalsContact O-N 3.15Å; T104-N107 WeakPolarHBondContact O-CB 3.37Å; T104-N107 PolarHBondContact O-N 3.43Å |
| 105 | R | 94.1 | Very high | 92.3 | Very high | 51 Ų | 51 | 69.2 Ų | 69.2 | 19% | 0.192 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -57.3 | -31.5 | -172.6 | 69 | -174 | -172.2 | -79.9 | -3.8 | 114.8 | F100 T101 Y102 N107 F108 F111 D113 | F100-R105 HydrophobicContact CE2-CB 3.91Å; F100-R105 HydrophobicContact CZ-CB 3.9Å; T101-R105 PolarHBondContact O-N 3.2Å; T101-R105 VanDerWaalsContact O-N 3.14Å; Y102-R105 WeakPolarHBondContact O-CD 3.43Å; Y102-R105 WeakPolarHBondContact O-CG 3.48Å; Y102-R105 PolarHBondContact O-NH1 3.09Å; Y102-R105 VanDerWaalsContact O-NH1 3.08Å; R105-N107 PolarHBondContact O-N 3.23Å; R105-F108 WeakPolarHBondContact O-CD2 3.31Å; R105-F108 PolarHBondContact O-N 3.02Å; R105-F111 HydrophobicContact CB-CD1 4.31Å; R105-F111 HydrophobicContact CB-CD2 4.5Å; R105-F111 HydrophobicContact CB-CE1 4.07Å; R105-F111 HydrophobicContact CB-CE2 4.25Å; R105-F111 HydrophobicContact CB-CZ 4.06Å; R105-F111 HydrophobicContact CG-CD1 4.15Å; R105-F111 HydrophobicContact CG-CE1 3.55Å; R105-F111 HydrophobicContact CG-CE2 4.41Å; R105-F111 HydrophobicContact CG-CZ 3.72Å; R105-F111 WeakPolarHBondContact O-CD1 3.47Å; R105-F111 WeakPolarHBondContact O-CG 3.42Å; R105-D113 IonicContact CZ-OD1 2.82Å; R105-D113 IonicContact NE-OD1 3.39Å; R105-D113 PolarHBondContact NE-OD1 3.44Å; R105-D113 IonicContact NH2-OD1 2.76Å; R105-D113 PolarHBondContact NH2-OD1 2.76Å |
| 106 | Q | 94.7 | Very high | 91.6 | Very high | 89 Ų | 89 | 70.4 Ų | 70.4 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -68.7 | -15.2 | 179.5 | -58.7 | -63.5 | -6.1 | 0 | 0 | 113.4 | N93 T104 F108 D113 | N93-Q106 PolarHBondContact ND2-O 3.35Å; T104-Q106 PolarHBondContact O-N 2.98Å; T104-Q106 VanDerWaalsContact O-N 3.15Å; Q106-F108 VanDerWaalsContact C-N 3.28Å; Q106-D113 PolarHBondContact NE2-OD1 2.63Å; Q106-D113 PolarHBondContact NE2-OD2 2.81Å |
| 107 | N | 95 | Very high | 91.2 | Very high | 94 Ų | 94 | 75.9 Ų | 75.9 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -83 | -8.7 | 179.3 | -60.8 | -6.3 | 0 | 0 | 0 | 112.4 | C92 N93 T104 R105 | C92-N107 CarbonylContact C-O 3.6Å; C92-N107 VanDerWaalsContact CA-O 3.27Å; C92-N107 WeakPolarHBondContact CA-O 3.33Å; N93-N107 PolarHBondContact N-O 2.75Å; T104-N107 WeakPolarHBondContact O-CB 3.37Å; T104-N107 PolarHBondContact O-N 3.43Å; R105-N107 PolarHBondContact O-N 3.23Å |
| 108 | F | 95.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 76.4 Ų | 76.4 | 2% | 0.022 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -89.2 | 139.8 | -178.3 | -65.6 | -82 | 0 | 0 | 0 | 111.5 | K90 C92 R98 A99 F100 R105 Q106 F111 F118 | K90-F108 HydrophobicContact CB-CD1 3.59Å; K90-F108 HydrophobicContact CB-CE1 3.97Å; K90-F108 HydrophobicContact CB-CG 4.45Å; C92-F108 VanDerWaalsContact SG-CE1 3.52Å; R98-F108 HydrophobicContact CB-CE1 4.44Å; A99-F108 WeakPolarHBondContact O-CZ 2.8Å; F100-F108 HydrophobicContact CB-CZ 4.38Å; F100-F108 AromaticContact CD2-CD2 3.72Å; F100-F108 HydrophobicContact CD2-CD2 3.72Å; F100-F108 AromaticContact CD2-CE2 3.72Å; F100-F108 HydrophobicContact CD2-CE2 3.72Å; F100-F108 HydrophobicContact CD2-CG 4.18Å; F100-F108 HydrophobicContact CD2-CZ 4.19Å; F100-F108 AromaticContact CE2-CD2 3.99Å; F100-F108 HydrophobicContact CE2-CD2 3.99Å; F100-F108 HydrophobicContact CE2-CE2 4.26Å; F100-F108 HydrophobicContact CG-CE2 4.48Å; R105-F108 WeakPolarHBondContact O-CD2 3.31Å; R105-F108 PolarHBondContact O-N 3.02Å; Q106-F108 VanDerWaalsContact C-N 3.28Å; F108-F111 HydrophobicContact CB-CB 4.35Å; F108-F111 WeakPolarHBondContact O-CB 3.47Å; F108-F111 PolarHBondContact O-N 2.84Å; F108-F118 HydrophobicContact CB-CE2 3.99Å; F108-F118 HydrophobicContact CB-CZ 4.01Å; F108-F118 HydrophobicContact CG-CZ 4.43Å |
| 109 | K | 94.4 | Very high | 91.2 | Very high | 101 Ų | 101 | 73 Ų | 73 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 133.7 | -177.5 | -171.6 | 178.6 | 178.5 | -179.1 | 0 | 110.5 | E91 N93 F111 | E91-K109 HydrophobicContact CG-CD 4.34Å; E91-K109 PolarHBondContact O-N 3.23Å; E91-K109 IonicContact OE1-NZ 3.08Å; E91-K109 PolarHBondContact OE1-NZ 3.14Å; E91-K109 WeakPolarHBondContact OE2-CD 3.33Å; E91-K109 IonicContact OE2-NZ 3.74Å; E91-K109 PolarHBondContact OE2-NZ 3.15Å; N93-K109 VanDerWaalsContact OD1-CA 3.3Å; N93-K109 WeakPolarHBondContact OD1-CA 3.13Å; K109-F111 PolarHBondContact O-N 3.42Å |
| 110 | G | 89.6 | Confident | 91.2 | Very high | 49 Ų | 49 | 72.3 Ų | 72.3 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 13.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 111 | F | 93.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 74.7 Ų | 74.7 | 4% | 0.044 | 38% | 0.38 | C | S | . | . | trans | -86.2 | 122 | 169.9 | -178.4 | -91.3 | 0 | 0 | 0 | 110 | L80 R105 F108 K109 F118 | L80-F111 HydrophobicContact CD1-CE2 3.96Å; L80-F111 HydrophobicContact CD1-CZ 4.28Å; L80-F111 HydrophobicContact CD2-CE2 4.15Å; R105-F111 HydrophobicContact CB-CD1 4.31Å; R105-F111 HydrophobicContact CB-CD2 4.5Å; R105-F111 HydrophobicContact CB-CE1 4.07Å; R105-F111 HydrophobicContact CB-CE2 4.25Å; R105-F111 HydrophobicContact CB-CZ 4.06Å; R105-F111 HydrophobicContact CG-CD1 4.15Å; R105-F111 HydrophobicContact CG-CE1 3.55Å; R105-F111 HydrophobicContact CG-CE2 4.41Å; R105-F111 HydrophobicContact CG-CZ 3.72Å; R105-F111 WeakPolarHBondContact O-CD1 3.47Å; R105-F111 WeakPolarHBondContact O-CG 3.42Å; F108-F111 HydrophobicContact CB-CB 4.35Å; F108-F111 WeakPolarHBondContact O-CB 3.47Å; F108-F111 PolarHBondContact O-N 2.84Å; K109-F111 PolarHBondContact O-N 3.42Å; F111-F118 HydrophobicContact CB-CD2 3.96Å; F111-F118 HydrophobicContact CB-CE2 3.99Å; F111-F118 HydrophobicContact CD2-CB 4.44Å; F111-F118 AromaticContact CD2-CD1 3.96Å; F111-F118 HydrophobicContact CD2-CD1 3.96Å; F111-F118 HydrophobicContact CD2-CD2 4.09Å; F111-F118 HydrophobicContact CD2-CE1 4.23Å; F111-F118 HydrophobicContact CD2-CE2 4.35Å; F111-F118 AromaticContact CD2-CG 3.89Å; F111-F118 HydrophobicContact CD2-CG 3.89Å; F111-F118 HydrophobicContact CD2-CZ 4.41Å | ||
| 112 | D | 90.3 | Very high | 91.3 | Very high | 95 Ų | 95 | 72.9 Ų | 72.9 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | trans | -130.2 | 143.1 | 166 | -58.4 | -57.8 | 0 | 0 | 0 | 108.8 | N114 N115 | D112-N114 PolarHBondContact O-N 3.17Å; D112-N114 VanDerWaalsContact O-N 3.09Å; D112-N115 HydrophobicContact CB-CB 3.77Å; D112-N115 PolarHBondContact O-N 3.25Å | ||
| 113 | D | 85.9 | Confident | 91.4 | Very high | 83 Ų | 83 | 70.2 Ų | 70.2 | 44% | 0.444 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.8 | -179 | -68.6 | -62.6 | 0 | 0 | 0 | 112.1 | K76 R105 Q106 | K76-D113 PolarHBondContact NZ-O 3.3Å; R105-D113 IonicContact CZ-OD1 2.82Å; R105-D113 IonicContact NE-OD1 3.39Å; R105-D113 PolarHBondContact NE-OD1 3.44Å; R105-D113 IonicContact NH2-OD1 2.76Å; R105-D113 PolarHBondContact NH2-OD1 2.76Å; Q106-D113 PolarHBondContact NE2-OD1 2.63Å; Q106-D113 PolarHBondContact NE2-OD2 2.81Å |
| 114 | N | 83.8 | Confident | 91.4 | Very high | 155 Ų | 155 | 60.1 Ų | 60.1 | 83% | 0.829 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -9.3 | 178.3 | -64 | -21 | 0 | 0 | 0 | 114.5 | D112 | D112-N114 PolarHBondContact O-N 3.17Å; D112-N114 VanDerWaalsContact O-N 3.09Å |
| 115 | N | 81.9 | Confident | 91.5 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | trans | -92 | 124 | -176.6 | -174.1 | 0.8 | 0 | 0 | 0 | 110.9 | K76 D112 D117 | K76-N115 WeakPolarHBondContact CE-O 3.35Å; K76-N115 PolarHBondContact NZ-O 3.02Å; D112-N115 HydrophobicContact CB-CB 3.77Å; D112-N115 PolarHBondContact O-N 3.25Å; N115-D117 WeakPolarHBondContact OD1-CB 3.35Å; N115-D117 PolarHBondContact OD1-N 2.92Å | ||
| 116 | D | 77.8 | Confident | 91.5 | Very high | 118 Ų | 118 | 56 Ų | 56 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -89.5 | -9.2 | -178.2 | -65.9 | -21.2 | 0 | 0 | 0 | 112.9 | K76 F118 | K76-D116 VanDerWaalsContact CD-OD1 3.3Å; K76-D116 WeakPolarHBondContact CD-OD1 3.33Å; K76-D116 VanDerWaalsContact CE-OD1 3.24Å; K76-D116 WeakPolarHBondContact CE-OD1 3.4Å; K76-D116 IonicContact NZ-OD1 3.55Å; K76-D116 PolarHBondContact NZ-OD1 2.95Å; D116-F118 VanDerWaalsContact C-N 3.35Å; D116-F118 PolarHBondContact O-N 2.95Å |
| 117 | D | 86.3 | Confident | 91.5 | Very high | 139 Ų | 139 | 51.8 Ų | 51.8 | 74% | 0.743 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.4 | -173.4 | -62.5 | -28.8 | 0 | 0 | 0 | 114.3 | N115 L119 | N115-D117 WeakPolarHBondContact OD1-CB 3.35Å; N115-D117 PolarHBondContact OD1-N 2.92Å; D117-L119 VanDerWaalsContact C-N 3.34Å; D117-L119 PolarHBondContact O-N 3.48Å |
| 118 | F | 93.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 47.3 Ų | 47.3 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -38.6 | -177.7 | 177.3 | -105.5 | 0 | 0 | 0 | 113.2 | L80 K90 F100 F108 F111 D116 | L80-F118 HydrophobicContact CD2-CD1 3.98Å; L80-F118 HydrophobicContact CD2-CE1 4.34Å; K90-F118 HydrophobicContact CB-CZ 4.38Å; K90-F118 HydrophobicContact CD-CZ 4.44Å; K90-F118 HydrophobicContact CG-CZ 3.98Å; K90-F118 PolarHBondContact NZ-O 2.95Å; F100-F118 AromaticContact CD2-CE1 3.77Å; F100-F118 HydrophobicContact CD2-CE1 3.77Å; F100-F118 AromaticContact CD2-CZ 3.83Å; F100-F118 HydrophobicContact CD2-CZ 3.83Å; F100-F118 AromaticContact CE2-CE1 3.49Å; F100-F118 HydrophobicContact CE2-CE1 3.49Å; F100-F118 VanDerWaalsContact CE2-CE1 3.49Å; F100-F118 AromaticContact CE2-CZ 3.78Å; F100-F118 HydrophobicContact CE2-CZ 3.78Å; F100-F118 HydrophobicContact CZ-CE1 4.17Å; F108-F118 HydrophobicContact CB-CE2 3.99Å; F108-F118 HydrophobicContact CB-CZ 4.01Å; F108-F118 HydrophobicContact CG-CZ 4.43Å; F111-F118 HydrophobicContact CB-CD2 3.96Å; F111-F118 HydrophobicContact CB-CE2 3.99Å; F111-F118 HydrophobicContact CD2-CB 4.44Å; F111-F118 AromaticContact CD2-CD1 3.96Å; F111-F118 HydrophobicContact CD2-CD1 3.96Å; F111-F118 HydrophobicContact CD2-CD2 4.09Å; F111-F118 HydrophobicContact CD2-CE1 4.23Å; F111-F118 HydrophobicContact CD2-CE2 4.35Å; F111-F118 AromaticContact CD2-CG 3.89Å; F111-F118 HydrophobicContact CD2-CG 3.89Å; F111-F118 HydrophobicContact CD2-CZ 4.41Å; D116-F118 VanDerWaalsContact C-N 3.35Å; D116-F118 PolarHBondContact O-N 2.95Å |
| 119 | L | 94.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -103.2 | 127.3 | 173.8 | -64.7 | 178.7 | 0 | 0 | 0 | 108.9 | M79 L80 A83 L88 D117 E123 I127 | M79-L119 HydrophobicContact CB-CD1 3.94Å; L80-L119 HydrophobicContact CD2-CD1 4.13Å; L80-L119 HydrophobicContact CD2-CG 4.42Å; A83-L119 HydrophobicContact CB-CD1 4.25Å; A83-L119 HydrophobicContact CB-CD2 4.23Å; L88-L119 HydrophobicContact CD1-CD2 4.2Å; D117-L119 VanDerWaalsContact C-N 3.34Å; D117-L119 PolarHBondContact O-N 3.48Å; L119-E123 WeakPolarHBondContact CA-OE2 3.42Å; L119-I127 HydrophobicContact CD1-CD1 4.02Å |
| 120 | T | 94.2 | Very high | 91.2 | Very high | 41 Ų | 41 | 45 Ų | 45 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | trans | -69.2 | 157.6 | 176.6 | 73.4 | 0 | 0 | 0 | 0 | 110.4 | A122 E123 C124 G202 | T120-A122 PolarHBondContact O-N 3.29Å; T120-E123 PolarHBondContact N-OE2 3.09Å; T120-E123 PolarHBondContact O-N 3.29Å; T120-E123 VanDerWaalsContact O-N 3.09Å; T120-E123 WeakPolarHBondContact OG1-CG 3.48Å; T120-E123 PolarHBondContact OG1-N 2.97Å; T120-C124 WeakPolarHBondContact O-CB 3.22Å; T120-C124 PolarHBondContact O-N 3.45Å; T120-C124 PolarHBondContact O-SG 2.85Å; T120-C124 VanDerWaalsContact O-SG 3.41Å; T120-G202 PolarHBondContact OG1-O 2.94Å | ||
| 121 | M | 94.4 | Very high | 91.2 | Very high | 52 Ų | 52 | 43 Ų | 43 | 26% | 0.256 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.9 | -33.9 | 175.4 | -166.6 | -175.2 | -168 | 0 | 0 | 112.2 | L18 C124 Q125 D175 R543 | L18-M121 HydrophobicContact CD2-CE 3.78Å; L18-M121 HydrophobicContact CD2-CG 3.79Å; M121-C124 WeakPolarHBondContact O-CB 3.42Å; M121-C124 PolarHBondContact O-N 3.23Å; M121-Q125 WeakPolarHBondContact O-CB 3.37Å; M121-Q125 VanDerWaalsContact O-CG 3.27Å; M121-Q125 WeakPolarHBondContact O-CG 3.29Å; M121-Q125 PolarHBondContact O-N 3.45Å; M121-D175 HydrophobicContact CE-CB 4.4Å; M121-D175 HydrophobicContact SD-CB 3.64Å; M121-R543 PolarHBondContact SD-NH1 3.09Å |
| 122 | A | 95.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | T120 C124 Q125 F126 G202 Y203 | T120-A122 PolarHBondContact O-N 3.29Å; A122-C124 VanDerWaalsContact C-N 3.3Å; A122-C124 PolarHBondContact O-N 2.8Å; A122-Q125 PolarHBondContact O-N 3.21Å; A122-F126 WeakPolarHBondContact O-CB 3.45Å; A122-F126 PolarHBondContact O-N 3.29Å; A122-G202 WeakPolarHBondContact CB-O 3.19Å; A122-Y203 WeakPolarHBondContact CB-O 3.42Å |
| 123 | E | 95.1 | Very high | 91 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 174.1 | -70.2 | 170.3 | 159 | 0 | 0 | 110.5 | L88 K90 L119 T120 F126 I127 R201 | L88-E123 HydrophobicContact CD1-CB 4.24Å; L88-E123 HydrophobicContact CD1-CG 4.36Å; K90-E123 IonicContact NZ-OE1 3.89Å; K90-E123 PolarHBondContact NZ-OE1 3.48Å; K90-E123 IonicContact NZ-OE2 2.9Å; K90-E123 PolarHBondContact NZ-OE2 3.41Å; L119-E123 WeakPolarHBondContact CA-OE2 3.42Å; T120-E123 PolarHBondContact N-OE2 3.09Å; T120-E123 PolarHBondContact O-N 3.29Å; T120-E123 VanDerWaalsContact O-N 3.09Å; T120-E123 WeakPolarHBondContact OG1-CG 3.48Å; T120-E123 PolarHBondContact OG1-N 2.97Å; E123-F126 PolarHBondContact O-N 3.41Å; E123-I127 WeakPolarHBondContact O-CD1 3.43Å; E123-I127 VanDerWaalsContact O-CG1 3.24Å; E123-I127 WeakPolarHBondContact O-CG1 3.34Å; E123-I127 PolarHBondContact O-N 3.29Å; E123-R201 IonicContact OE1-CZ 3.67Å; E123-R201 IonicContact OE1-NH1 3.78Å; E123-R201 IonicContact OE1-NH2 2.63Å; E123-R201 PolarHBondContact OE1-NH2 2.76Å |
| 124 | C | 96 | Very high | 91 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 12% | 0.122 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -48.5 | 177.5 | -76 | 0 | 0 | 0 | 0 | 112.7 | L18 M79 T120 M121 A122 F126 I127 I128 | L18-C124 HydrophobicContact CD1-CB 3.99Å; M79-C124 HydrophobicContact CE-CB 3.37Å; M79-C124 WeakPolarHBondContact CE-O 3.45Å; M79-C124 VanDerWaalsContact CE-SG 3.52Å; T120-C124 WeakPolarHBondContact O-CB 3.22Å; T120-C124 PolarHBondContact O-N 3.45Å; T120-C124 PolarHBondContact O-SG 2.85Å; T120-C124 VanDerWaalsContact O-SG 3.41Å; M121-C124 WeakPolarHBondContact O-CB 3.42Å; M121-C124 PolarHBondContact O-N 3.23Å; A122-C124 VanDerWaalsContact C-N 3.3Å; A122-C124 PolarHBondContact O-N 2.8Å; C124-F126 VanDerWaalsContact C-N 3.3Å; C124-F126 PolarHBondContact O-N 3.02Å; C124-I127 PolarHBondContact O-N 2.85Å; C124-I128 PolarHBondContact O-N 3.37Å |
| 125 | Q | 96.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 176.4 | -72.7 | 166.7 | -19.9 | 0 | 0 | 112 | L18 V19 M121 A122 I128 K129 P172 L173 R543 | L18-Q125 HydrophobicContact CB-CG 4.04Å; L18-Q125 HydrophobicContact CD2-CG 4.46Å; L18-Q125 WeakPolarHBondContact O-CG 3.32Å; L18-Q125 PolarHBondContact O-NE2 2.87Å; V19-Q125 HydrophobicContact CG2-CB 4.4Å; V19-Q125 HydrophobicContact CG2-CG 4.31Å; M121-Q125 WeakPolarHBondContact O-CB 3.37Å; M121-Q125 VanDerWaalsContact O-CG 3.27Å; M121-Q125 WeakPolarHBondContact O-CG 3.29Å; M121-Q125 PolarHBondContact O-N 3.45Å; A122-Q125 PolarHBondContact O-N 3.21Å; Q125-I128 PolarHBondContact O-N 3.08Å; Q125-K129 WeakPolarHBondContact O-CB 3.32Å; Q125-K129 PolarHBondContact O-N 3.03Å; Q125-P172 HydrophobicContact CB-CB 4Å; Q125-P172 HydrophobicContact CG-CB 3.89Å; Q125-L173 PolarHBondContact NE2-O 3Å; Q125-R543 VanDerWaalsContact OE1-NE 3.12Å; Q125-R543 VanDerWaalsContact OE1-NH1 3.07Å |
| 126 | F | 94.2 | Very high | 91.4 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 10% | 0.096 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 174.1 | 175.5 | -119.3 | 0 | 0 | 0 | 112.5 | V86 A122 E123 C124 K129 H130 S546 P548 | V86-F126 HydrophobicContact CG1-CD1 4.13Å; V86-F126 HydrophobicContact CG1-CE1 3.49Å; V86-F126 VanDerWaalsContact CG1-CE1 3.49Å; V86-F126 HydrophobicContact CG1-CZ 4.41Å; A122-F126 WeakPolarHBondContact O-CB 3.45Å; A122-F126 PolarHBondContact O-N 3.29Å; E123-F126 PolarHBondContact O-N 3.41Å; C124-F126 VanDerWaalsContact C-N 3.3Å; C124-F126 PolarHBondContact O-N 3.02Å; F126-K129 PolarHBondContact O-N 3.46Å; F126-H130 WeakPolarHBondContact O-CB 3.19Å; F126-H130 PolarHBondContact O-N 3.37Å; F126-S546 WeakPolarHBondContact CD2-O 3.49Å; F126-P548 HydrophobicContact CD1-CG 4.41Å; F126-P548 HydrophobicContact CE1-CG 3.64Å; F126-P548 HydrophobicContact CE2-CG 4.41Å; F126-P548 VanDerWaalsContact CZ-CD 3.46Å; F126-P548 HydrophobicContact CZ-CG 3.65Å |
| 127 | I | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61 | -47 | 174.4 | -69.8 | 158.7 | 0 | 0 | 0 | 110.3 | M79 A83 V86 L88 L119 E123 C124 K129 H130 E131 | M79-I127 HydrophobicContact CE-CB 3.96Å; M79-I127 HydrophobicContact CE-CD1 4.14Å; M79-I127 HydrophobicContact CE-CG2 4.08Å; M79-I127 HydrophobicContact SD-CG2 4.23Å; A83-I127 HydrophobicContact CB-CD1 3.9Å; V86-I127 HydrophobicContact CG2-CG1 4.09Å; L88-I127 HydrophobicContact CD1-CD1 4.14Å; L119-I127 HydrophobicContact CD1-CD1 4.02Å; E123-I127 WeakPolarHBondContact O-CD1 3.43Å; E123-I127 VanDerWaalsContact O-CG1 3.24Å; E123-I127 WeakPolarHBondContact O-CG1 3.34Å; E123-I127 PolarHBondContact O-N 3.29Å; C124-I127 PolarHBondContact O-N 2.85Å; I127-K129 PolarHBondContact O-N 3.11Å; I127-H130 WeakPolarHBondContact O-CB 3.39Å; I127-H130 PolarHBondContact O-N 3.09Å; I127-E131 HydrophobicContact CG2-CG 4.4Å; I127-E131 VanDerWaalsContact O-CG 3.25Å; I127-E131 WeakPolarHBondContact O-CG 3.4Å; I127-E131 PolarHBondContact O-N 3.49Å |
| 128 | I | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 178.2 | -69.4 | 173.3 | 0 | 0 | 0 | 111 | L18 V19 L50 V72 M79 C124 Q125 H130 E131 L132 | L18-I128 HydrophobicContact CB-CD1 3.73Å; L18-I128 HydrophobicContact CD1-CD1 3.49Å; L18-I128 VanDerWaalsContact CD1-CD1 3.49Å; L18-I128 HydrophobicContact CG-CD1 4.23Å; V19-I128 HydrophobicContact CB-CG2 4.05Å; V19-I128 HydrophobicContact CG2-CB 4.07Å; V19-I128 HydrophobicContact CG2-CG2 3.7Å; L50-I128 HydrophobicContact CD1-CG2 4.26Å; L50-I128 HydrophobicContact CD2-CG1 4.35Å; V72-I128 HydrophobicContact CB-CG2 4.43Å; V72-I128 HydrophobicContact CG1-CG2 3.81Å; M79-I128 HydrophobicContact CE-CG1 4.31Å; M79-I128 HydrophobicContact SD-CG1 4.26Å; C124-I128 PolarHBondContact O-N 3.37Å; Q125-I128 PolarHBondContact O-N 3.08Å; I128-H130 VanDerWaalsContact C-N 3.3Å; I128-H130 PolarHBondContact O-N 3.03Å; I128-E131 PolarHBondContact O-N 3.37Å; I128-L132 HydrophobicContact CG2-CD1 3.84Å; I128-L132 HydrophobicContact CG2-CG 4.28Å; I128-L132 WeakPolarHBondContact O-CG 3.32Å; I128-L132 PolarHBondContact O-N 3.4Å |
| 129 | K | 93.9 | Very high | 91.6 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 12% | 0.122 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.4 | -49.8 | 173.7 | -174.4 | -159.4 | -174.6 | -170 | 0 | 110.5 | Q125 F126 I127 E131 L132 E133 F545 E547 | Q125-K129 WeakPolarHBondContact O-CB 3.32Å; Q125-K129 PolarHBondContact O-N 3.03Å; F126-K129 PolarHBondContact O-N 3.46Å; I127-K129 PolarHBondContact O-N 3.11Å; K129-E131 VanDerWaalsContact C-N 3.28Å; K129-E131 PolarHBondContact O-N 3.21Å; K129-L132 PolarHBondContact O-N 3.16Å; K129-E133 WeakPolarHBondContact CE-OE1 3.4Å; K129-E133 HydrophobicContact CG-CG 4.45Å; K129-E133 WeakPolarHBondContact O-CB 3.41Å; K129-E133 WeakPolarHBondContact O-CG 3.35Å; K129-E133 PolarHBondContact O-N 2.78Å; K129-F545 HydrophobicContact CB-CD1 3.87Å; K129-F545 HydrophobicContact CB-CE1 3.77Å; K129-F545 HydrophobicContact CB-CG 4.48Å; K129-F545 HydrophobicContact CB-CZ 4.3Å; K129-F545 HydrophobicContact CD-CB 3.8Å; K129-F545 HydrophobicContact CD-CD1 3.83Å; K129-F545 HydrophobicContact CD-CD2 3.95Å; K129-F545 HydrophobicContact CD-CE1 4.37Å; K129-F545 HydrophobicContact CD-CE2 4.46Å; K129-F545 HydrophobicContact CD-CG 3.6Å; K129-F545 HydrophobicContact CG-CD1 4.07Å; K129-F545 HydrophobicContact CG-CD2 4.34Å; K129-F545 HydrophobicContact CG-CE1 4.11Å; K129-F545 HydrophobicContact CG-CE2 4.36Å; K129-F545 HydrophobicContact CG-CG 4.19Å; K129-F545 HydrophobicContact CG-CZ 4.26Å; K129-E547 IonicContact NZ-OE1 3.95Å; K129-E547 PolarHBondContact NZ-OE1 3.01Å |
| 130 | H | 89.1 | Confident | 91.4 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 14% | 0.139 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -37.7 | -179.1 | -174 | 61.8 | 0 | 0 | 0 | 112.9 | V86 F126 I127 I128 N134 K280 | V86-H130 HydrophobicContact CG2-CB 4.09Å; V86-H130 VanDerWaalsContact CG2-CD2 3.42Å; V86-H130 WeakPolarHBondContact CG2-CD2 3.29Å; F126-H130 WeakPolarHBondContact O-CB 3.19Å; F126-H130 PolarHBondContact O-N 3.37Å; I127-H130 WeakPolarHBondContact O-CB 3.39Å; I127-H130 PolarHBondContact O-N 3.09Å; I128-H130 VanDerWaalsContact C-N 3.3Å; I128-H130 PolarHBondContact O-N 3.03Å; H130-N134 PolarHBondContact CE1-ND2 3.09Å; H130-N134 PolarHBondContact NE2-ND2 2.99Å; H130-N134 VanDerWaalsContact O-CB 3.29Å; H130-N134 WeakPolarHBondContact O-CB 3.46Å; H130-N134 PolarHBondContact O-N 2.85Å; H130-N134 VanDerWaalsContact O-N 3.08Å; H130-N134 PolarHBondContact O-ND2 3.25Å; H130-K280 PolarHBondContact CD2-NZ 2.75Å; H130-K280 PolarHBondContact CE1-NZ 2.96Å; H130-K280 PolarHBondContact ND1-NZ 2.78Å; H130-K280 PolarHBondContact NE2-NZ 2.89Å; H130-K280 VanDerWaalsContact NE2-NZ 3.11Å |
| 131 | E | 90.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.9 | -39 | 179.1 | -67.4 | -67.9 | -168 | 0 | 0 | 112.5 | K43 L50 R78 I127 I128 K129 N134 L135 | K43-E131 WeakPolarHBondContact CE-OE2 3.37Å; K43-E131 IonicContact NZ-OE1 3.25Å; K43-E131 IonicContact NZ-OE2 3.65Å; K43-E131 PolarHBondContact NZ-OE2 3.5Å; L50-E131 HydrophobicContact CD1-CB 4.2Å; R78-E131 IonicContact CZ-OE1 3.39Å; R78-E131 IonicContact NH1-OE1 2.77Å; R78-E131 PolarHBondContact NH1-OE1 3.08Å; R78-E131 IonicContact NH2-OE1 2.87Å; R78-E131 PolarHBondContact NH2-OE1 3.22Å; R78-E131 IonicContact NH2-OE2 2.88Å; R78-E131 PolarHBondContact NH2-OE2 3.24Å; R78-E131 VanDerWaalsContact NH2-OE2 3.09Å; I127-E131 HydrophobicContact CG2-CG 4.4Å; I127-E131 VanDerWaalsContact O-CG 3.25Å; I127-E131 WeakPolarHBondContact O-CG 3.4Å; I127-E131 PolarHBondContact O-N 3.49Å; I128-E131 PolarHBondContact O-N 3.37Å; K129-E131 VanDerWaalsContact C-N 3.28Å; K129-E131 PolarHBondContact O-N 3.21Å; E131-N134 PolarHBondContact O-N 2.92Å; E131-L135 PolarHBondContact O-N 3.06Å |
| 132 | L | 92 | Very high | 91.1 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 173.9 | -66.9 | 172.2 | 0 | 0 | 0 | 111.7 | V19 I21 I39 L50 I128 K129 N134 L135 L158 V170 | V19-L132 HydrophobicContact CG1-CD1 4.49Å; I21-L132 HydrophobicContact CD1-CD1 4.23Å; I21-L132 HydrophobicContact CD1-CD2 4.49Å; I39-L132 HydrophobicContact CD1-CD2 4.16Å; I39-L132 HydrophobicContact CG1-CD2 4.06Å; I39-L132 HydrophobicContact CG2-CD2 4.47Å; L50-L132 HydrophobicContact CD1-CD2 3.83Å; L50-L132 HydrophobicContact CD1-CG 4.02Å; I128-L132 HydrophobicContact CG2-CD1 3.84Å; I128-L132 HydrophobicContact CG2-CG 4.28Å; I128-L132 WeakPolarHBondContact O-CG 3.32Å; I128-L132 PolarHBondContact O-N 3.4Å; K129-L132 PolarHBondContact O-N 3.16Å; L132-N134 VanDerWaalsContact C-N 3.33Å; L132-N134 PolarHBondContact O-N 2.99Å; L132-L135 WeakPolarHBondContact O-CB 3.48Å; L132-L135 PolarHBondContact O-N 3.49Å; L132-L158 HydrophobicContact CB-CD2 3.96Å; L132-L158 WeakPolarHBondContact O-CB 3.46Å; L132-V170 HydrophobicContact CD1-CG1 4.5Å |
| 133 | E | 87.1 | Confident | 91.1 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 39% | 0.388 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.3 | -36 | 175.4 | -75.4 | 177.9 | 162.6 | 0 | 0 | 112.3 | K129 L135 S156 L158 | K129-E133 WeakPolarHBondContact CE-OE1 3.4Å; K129-E133 HydrophobicContact CG-CG 4.45Å; K129-E133 WeakPolarHBondContact O-CB 3.41Å; K129-E133 WeakPolarHBondContact O-CG 3.35Å; K129-E133 PolarHBondContact O-N 2.78Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.49Å; E133-S156 WeakPolarHBondContact O-CB 3.38Å; E133-S156 PolarHBondContact O-OG 3.46Å; E133-L158 HydrophobicContact CG-CD2 3.93Å |
| 134 | N | 84.5 | Confident | 91.1 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1.4 | 178.1 | -83.7 | -45.5 | 0 | 0 | 0 | 114.9 | H130 E131 L132 R136 | H130-N134 PolarHBondContact CE1-ND2 3.09Å; H130-N134 PolarHBondContact NE2-ND2 2.99Å; H130-N134 VanDerWaalsContact O-CB 3.29Å; H130-N134 WeakPolarHBondContact O-CB 3.46Å; H130-N134 PolarHBondContact O-N 2.85Å; H130-N134 VanDerWaalsContact O-N 3.08Å; H130-N134 PolarHBondContact O-ND2 3.25Å; E131-N134 PolarHBondContact O-N 2.92Å; L132-N134 VanDerWaalsContact C-N 3.33Å; L132-N134 PolarHBondContact O-N 2.99Å; N134-R136 WeakPolarHBondContact O-CG 3.42Å; N134-R136 PolarHBondContact O-N 2.73Å; N134-R136 PolarHBondContact OD1-NH2 2.72Å |
| 135 | L | 89.3 | Confident | 91 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | trans | -72.9 | 117 | 174.6 | -166.6 | 66.5 | 0 | 0 | 0 | 109.4 | R38 I39 A48 E131 L132 E133 S156 L157 | R38-L135 HydrophobicContact CB-CD2 4Å; R38-L135 WeakPolarHBondContact O-CD1 3.25Å; I39-L135 HydrophobicContact CG1-CD2 4.23Å; A48-L135 HydrophobicContact CB-CD1 4.21Å; E131-L135 PolarHBondContact O-N 3.06Å; L132-L135 WeakPolarHBondContact O-CB 3.48Å; L132-L135 PolarHBondContact O-N 3.49Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.49Å; L135-S156 CarbonylContact O-C 3.53Å; L135-S156 WeakPolarHBondContact O-CA 3.39Å; L135-L157 HydrophobicContact CD2-CD1 3.99Å; L135-L157 HydrophobicContact CG-CD1 3.89Å; L135-L157 HydrophobicContact CG-CG 4.41Å; L135-L157 PolarHBondContact O-N 3.47Å | ||
| 136 | R | 86.6 | Confident | 90.9 | Very high | 47 Ų | 47 | 44 Ų | 44 | 18% | 0.177 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -121.1 | 144.7 | -168.3 | -68.6 | 172.2 | -159 | -95.6 | 1.9 | 113.5 | R38 N134 G154 K155 E283 | R38-R136 PolarHBondContact NH2-O 3.34Å; N134-R136 WeakPolarHBondContact O-CG 3.42Å; N134-R136 PolarHBondContact O-N 2.73Å; N134-R136 PolarHBondContact OD1-NH2 2.72Å; R136-G154 WeakPolarHBondContact CD-O 3.48Å; R136-G154 WeakPolarHBondContact CG-O 3.38Å; R136-G154 PolarHBondContact NH1-O 2.81Å; R136-K155 CarbonylContact C-O 3.51Å; R136-K155 VanDerWaalsContact CA-O 3.27Å; R136-K155 WeakPolarHBondContact CA-O 2.92Å; R136-E283 IonicContact CZ-OE1 3.43Å; R136-E283 IonicContact CZ-OE2 3.64Å; R136-E283 IonicContact NH1-OE1 2.73Å; R136-E283 IonicContact NH1-OE2 2.75Å; R136-E283 PolarHBondContact NH1-OE2 2.78Å; R136-E283 IonicContact NH2-OE1 3.06Å; R136-E283 PolarHBondContact NH2-OE1 2.82Å; R136-E283 IonicContact NH2-OE2 3.34Å; R136-E283 PolarHBondContact NH2-OE2 3.37Å |
| 137 | A | 89.3 | Confident | 90.7 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | trans | -61.3 | 138.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L151 G154 K155 L157 | A137-L151 HydrophobicContact CB-CB 4.02Å; A137-L151 HydrophobicContact CB-CD1 4.1Å; A137-L151 HydrophobicContact CB-CD2 4.37Å; A137-L151 HydrophobicContact CB-CG 4.4Å; A137-G154 PolarHBondContact O-N 3.05Å; A137-K155 PolarHBondContact N-O 3.34Å; A137-L157 HydrophobicContact CB-CD2 3.8Å | ||
| 138 | K | 84.5 | Confident | 90.5 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 41% | 0.413 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -108.4 | -77.4 | 173.4 | -75.7 | -176.6 | 171.9 | 178.5 | 0 | 108.7 | D45 G46 E140 | D45-K138 PolarHBondContact O-NZ 3.33Å; G46-K138 VanDerWaalsContact CA-NZ 3.31Å; K138-E140 PolarHBondContact N-OE2 2.97Å |
| 139 | D | 87.6 | Confident | 90.3 | Very high | 149 Ų | 149 | 55.3 Ų | 55.3 | 80% | 0.797 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -98.5 | -14.1 | -175.2 | -51.4 | -47.3 | 0 | 0 | 0 | 112 | K141 | D139-K141 PolarHBondContact O-N 3.41Š|
| 140 | E | 89.4 | Confident | 90.1 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | trans | -72.4 | 119.5 | -175.5 | -55 | 103.9 | 144.7 | 0 | 0 | 111.8 | W34 R38 K138 L151 | W34-E140 PolarHBondContact NE1-OE1 2.97Å; W34-E140 VanDerWaalsContact NE1-OE1 3.12Å; R38-E140 IonicContact CZ-OE1 2.74Å; R38-E140 VanDerWaalsContact NH1-CD 3.26Å; R38-E140 IonicContact NH1-OE1 3.96Å; R38-E140 PolarHBondContact NH1-OE1 3.39Å; R38-E140 IonicContact NH1-OE2 3.76Å; R38-E140 PolarHBondContact NH1-OE2 3.22Å; R38-E140 VanDerWaalsContact NH1-OE2 3.14Å; K138-E140 PolarHBondContact N-OE2 2.97Å; E140-L151 HydrophobicContact CB-CD1 4.02Å; E140-L151 VanDerWaalsContact O-CB 3.23Å; E140-L151 WeakPolarHBondContact O-CB 3.3Å | ||
| 141 | K | 90.6 | Very high | 90 | Very high | 178 Ų | 178 | 60.5 Ų | 60.5 | 77% | 0.774 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -83.2 | -18.3 | 173.1 | -63.6 | -175.9 | -179.8 | 178.4 | 0 | 113.3 | D139 K150 L151 | D139-K141 PolarHBondContact O-N 3.41Å; K141-K150 WeakPolarHBondContact O-CA 3.33Å; K141-L151 CarbonylContact C-O 3.6Å; K141-L151 PolarHBondContact O-N 3.23Å; K141-L151 VanDerWaalsContact O-O 3.06Å |
| 142 | M | 93.1 | Very high | 89.7 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 44% | 0.443 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 160.4 | 179 | 65.1 | -170 | -169.5 | 0 | 0 | 110.1 | P147 A149 | M142-P147 HydrophobicContact SD-CB 4.17Å; M142-A149 CarbonylContact C-O 3.55Å; M142-A149 VanDerWaalsContact CA-O 3.31Å; M142-A149 WeakPolarHBondContact CA-O 3.5Å |
| 143 | I | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 127.2 | 171.1 | -60.9 | -177.8 | 0 | 0 | 0 | 108.4 | T31 W34 G145 Y146 A149 L151 R160 L161 I166 | T31-I143 HydrophobicContact CG2-CG2 3.74Å; W34-I143 HydrophobicContact CE3-CG2 4.38Å; W34-I143 HydrophobicContact CH2-CG1 4.41Å; W34-I143 HydrophobicContact CH2-CG2 4.43Å; W34-I143 HydrophobicContact CZ3-CG2 3.93Å; I143-G145 PolarHBondContact O-N 3.19Å; I143-Y146 HydrophobicContact CG2-CD2 4.38Å; I143-Y146 CarbonylContact O-C 3.57Å; I143-Y146 PolarHBondContact O-N 3.32Å; I143-A149 HydrophobicContact CB-CB 3.95Å; I143-A149 HydrophobicContact CD1-CB 3.77Å; I143-A149 HydrophobicContact CG1-CB 3.89Å; I143-A149 PolarHBondContact N-O 3.35Å; I143-L151 HydrophobicContact CG1-CD1 3.82Å; I143-L151 HydrophobicContact CG1-CD2 4.44Å; I143-L151 HydrophobicContact CG1-CG 4.07Å; I143-R160 HydrophobicContact CD1-CB 4.34Å; I143-R160 HydrophobicContact CD1-CG 3.93Å; I143-L161 HydrophobicContact CD1-CD2 3.72Å; I143-L161 HydrophobicContact CD1-CG 4.01Å; I143-L161 HydrophobicContact CG2-CD2 4.38Å; I143-I166 HydrophobicContact CD1-CD1 4.02Å; I143-I166 HydrophobicContact CG2-CD1 4.06Å |
| 144 | P | 95.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 63 Ų | 63 | 16% | 0.156 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 133.6 | 177.6 | -28.7 | 37.5 | 0 | 0 | 0 | 111.5 | E30 T31 W34 Y146 | E30-P144 HydrophobicContact CG-CB 4.08Å; T31-P144 PolarHBondContact OG1-O 2.91Å; W34-P144 HydrophobicContact CB-CB 4.49Å; W34-P144 HydrophobicContact CB-CG 4.13Å; W34-P144 HydrophobicContact CD2-CG 3.91Å; W34-P144 HydrophobicContact CG-CG 3.67Å; P144-Y146 VanDerWaalsContact C-N 3.29Å; P144-Y146 PolarHBondContact O-N 3.17Å |
| 145 | G | 92.8 | Very high | 88.9 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -13 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | K28 I143 | K28-G145 WeakPolarHBondContact CE-O 3.32Å; K28-G145 PolarHBondContact NZ-O 2.96Å; I143-G145 PolarHBondContact O-N 3.19Å |
| 146 | Y | 94.2 | Very high | 88.9 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 85.9 | -175.5 | -68.4 | -90.2 | 0 | 0 | 0 | 112.9 | D26 V27 T31 I143 P144 Q148 A149 I166 | D26-Y146 PolarHBondContact O-OH 3.46Å; V27-Y146 WeakPolarHBondContact CA-OH 3.35Å; T31-Y146 HydrophobicContact CG2-CD2 4.19Å; T31-Y146 HydrophobicContact CG2-CE2 4.1Å; T31-Y146 WeakPolarHBondContact OG1-CD2 3.29Å; T31-Y146 VanDerWaalsContact OG1-CE2 3.31Å; T31-Y146 WeakPolarHBondContact OG1-CE2 3.47Å; I143-Y146 HydrophobicContact CG2-CD2 4.38Å; I143-Y146 CarbonylContact O-C 3.57Å; I143-Y146 PolarHBondContact O-N 3.32Å; P144-Y146 VanDerWaalsContact C-N 3.29Å; P144-Y146 PolarHBondContact O-N 3.17Å; Y146-Q148 PolarHBondContact O-N 3.46Å; Y146-Q148 VanDerWaalsContact O-N 3.17Å; Y146-A149 WeakPolarHBondContact O-CB 3.49Å; Y146-A149 PolarHBondContact O-N 3.13Å; Y146-I166 HydrophobicContact CD1-CD1 4.08Å; Y146-I166 HydrophobicContact CD1-CG1 4.38Å; Y146-I166 HydrophobicContact CD2-CD1 3.6Å; Y146-I166 HydrophobicContact CD2-CG1 4.35Å; Y146-I166 HydrophobicContact CE1-CD1 4.41Å; Y146-I166 HydrophobicContact CE1-CG1 4.29Å; Y146-I166 HydrophobicContact CE2-CD1 3.96Å; Y146-I166 HydrophobicContact CE2-CG1 4.26Å; Y146-I166 HydrophobicContact CG-CD1 3.68Å; Y146-I166 HydrophobicContact CG-CG1 4.42Å |
| 147 | P | 91.1 | Very high | 89.1 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.7 | -27.5 | -176.8 | -24.2 | 34.3 | 0 | 0 | 0 | 115.1 | M142 A149 | M142-P147 HydrophobicContact SD-CB 4.17Å; P147-A149 VanDerWaalsContact C-N 3.25Å; P147-A149 PolarHBondContact O-N 2.91Å |
| 148 | Q | 90.6 | Very high | 89.2 | Confident | 170 Ų | 170 | 62 Ų | 62 | 79% | 0.794 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -24.3 | 176.7 | -59.7 | -65.7 | -12.9 | 0 | 0 | 112 | Y146 K150 R160 | Y146-Q148 PolarHBondContact O-N 3.46Å; Y146-Q148 VanDerWaalsContact O-N 3.17Å; Q148-K150 VanDerWaalsContact C-N 3.32Å; Q148-K150 PolarHBondContact O-N 2.88Å; Q148-R160 PolarHBondContact O-NH2 3.12Å |
| 149 | A | 90.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 69 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M142 I143 Y146 P147 | M142-A149 CarbonylContact C-O 3.55Å; M142-A149 VanDerWaalsContact CA-O 3.31Å; M142-A149 WeakPolarHBondContact CA-O 3.5Å; I143-A149 HydrophobicContact CB-CB 3.95Å; I143-A149 HydrophobicContact CD1-CB 3.77Å; I143-A149 HydrophobicContact CG1-CB 3.89Å; I143-A149 PolarHBondContact N-O 3.35Å; Y146-A149 WeakPolarHBondContact O-CB 3.49Å; Y146-A149 PolarHBondContact O-N 3.13Å; P147-A149 VanDerWaalsContact C-N 3.25Å; P147-A149 PolarHBondContact O-N 2.91Å |
| 150 | K | 88.4 | Confident | 89.3 | Confident | 156 Ų | 156 | 57.8 Ų | 57.8 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 142.5 | 176.4 | -62.2 | -176.5 | -179 | -179.8 | 0 | 112.2 | K141 Q148 R160 | K141-K150 WeakPolarHBondContact O-CA 3.33Å; Q148-K150 VanDerWaalsContact C-N 3.32Å; Q148-K150 PolarHBondContact O-N 2.88Å; K150-R160 PolarHBondContact O-NE 3.45Å; K150-R160 VanDerWaalsContact O-NE 3.13Å |
| 151 | L | 88.5 | Confident | 89.5 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | trans | -125.4 | 153.4 | 175.5 | -71 | 174.8 | 0 | 0 | 0 | 109.2 | W34 A137 E140 K141 I143 K155 L157 R160 | W34-L151 HydrophobicContact CH2-CD1 4.46Å; W34-L151 HydrophobicContact CZ2-CD1 4.45Å; A137-L151 HydrophobicContact CB-CB 4.02Å; A137-L151 HydrophobicContact CB-CD1 4.1Å; A137-L151 HydrophobicContact CB-CD2 4.37Å; A137-L151 HydrophobicContact CB-CG 4.4Å; E140-L151 HydrophobicContact CB-CD1 4.02Å; E140-L151 VanDerWaalsContact O-CB 3.23Å; E140-L151 WeakPolarHBondContact O-CB 3.3Å; K141-L151 CarbonylContact C-O 3.6Å; K141-L151 PolarHBondContact O-N 3.23Å; K141-L151 VanDerWaalsContact O-O 3.06Å; I143-L151 HydrophobicContact CG1-CD1 3.82Å; I143-L151 HydrophobicContact CG1-CD2 4.44Å; I143-L151 HydrophobicContact CG1-CG 4.07Å; L151-K155 HydrophobicContact CD2-CB 4.47Å; L151-K155 HydrophobicContact CD2-CG 4.14Å; L151-L157 HydrophobicContact CD1-CD2 3.77Å; L151-L157 HydrophobicContact CD2-CD2 4.05Å; L151-R160 HydrophobicContact CD2-CB 3.82Å; L151-R160 HydrophobicContact CD2-CG 3.79Å | ||
| 152 | Y | 83.6 | Confident | 89.6 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | trans | -133.6 | 155.3 | 170.8 | 56.5 | -95.6 | 0 | 0 | 0 | 108.6 | G154 K155 L292 P303 | Y152-G154 PolarHBondContact O-N 3.48Å; Y152-K155 HydrophobicContact CD1-CB 4.17Å; Y152-K155 HydrophobicContact CD2-CB 3.98Å; Y152-K155 HydrophobicContact CE1-CB 4.05Å; Y152-K155 HydrophobicContact CE1-CD 3.89Å; Y152-K155 HydrophobicContact CE1-CG 4.1Å; Y152-K155 HydrophobicContact CE2-CB 3.81Å; Y152-K155 HydrophobicContact CE2-CD 4.35Å; Y152-K155 HydrophobicContact CG-CB 4.15Å; Y152-K155 VanDerWaalsContact O-CB 3.24Å; Y152-K155 WeakPolarHBondContact O-CB 3.31Å; Y152-K155 PolarHBondContact O-N 3.06Å; Y152-K155 WeakPolarHBondContact OH-CD 3.37Å; Y152-L292 HydrophobicContact CD1-CD1 4.4Å; Y152-L292 HydrophobicContact CD1-CD2 4.18Å; Y152-L292 HydrophobicContact CD2-CD2 3.69Å; Y152-L292 HydrophobicContact CE1-CD2 4.05Å; Y152-L292 HydrophobicContact CE2-CD2 3.59Å; Y152-L292 HydrophobicContact CG-CD1 4.14Å; Y152-L292 HydrophobicContact CG-CD2 4Å; Y152-P303 WeakPolarHBondContact OH-CD 3.32Å; Y152-P303 WeakPolarHBondContact OH-CG 3.38Å | ||
| 153 | P | 84.1 | Confident | 89.4 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 129.2 | -179.6 | -26.2 | 35 | 0 | 0 | 0 | 111.5 | K155 | P153-K155 PolarHBondContact O-N 2.93Š|
| 154 | G | 79 | Confident | 89.2 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R136 A137 Y152 S156 | R136-G154 WeakPolarHBondContact CD-O 3.48Å; R136-G154 WeakPolarHBondContact CG-O 3.38Å; R136-G154 PolarHBondContact NH1-O 2.81Å; A137-G154 PolarHBondContact O-N 3.05Å; Y152-G154 PolarHBondContact O-N 3.48Å; G154-S156 PolarHBondContact O-N 2.93Å |
| 155 | K | 84.3 | Confident | 89.1 | Confident | 38 Ų | 38 | 53 Ų | 53 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | -67.1 | 131.5 | 175 | -177.8 | 58.3 | 173 | -173.7 | 0 | 111.4 | R136 A137 L151 Y152 P153 L157 | R136-K155 CarbonylContact C-O 3.51Å; R136-K155 VanDerWaalsContact CA-O 3.27Å; R136-K155 WeakPolarHBondContact CA-O 2.92Å; A137-K155 PolarHBondContact N-O 3.34Å; L151-K155 HydrophobicContact CD2-CB 4.47Å; L151-K155 HydrophobicContact CD2-CG 4.14Å; Y152-K155 HydrophobicContact CD1-CB 4.17Å; Y152-K155 HydrophobicContact CD2-CB 3.98Å; Y152-K155 HydrophobicContact CE1-CB 4.05Å; Y152-K155 HydrophobicContact CE1-CD 3.89Å; Y152-K155 HydrophobicContact CE1-CG 4.1Å; Y152-K155 HydrophobicContact CE2-CB 3.81Å; Y152-K155 HydrophobicContact CE2-CD 4.35Å; Y152-K155 HydrophobicContact CG-CB 4.15Å; Y152-K155 VanDerWaalsContact O-CB 3.24Å; Y152-K155 WeakPolarHBondContact O-CB 3.31Å; Y152-K155 PolarHBondContact O-N 3.06Å; Y152-K155 WeakPolarHBondContact OH-CD 3.37Å; P153-K155 PolarHBondContact O-N 2.93Å; K155-L157 PolarHBondContact O-N 3.26Å | ||
| 156 | S | 87.4 | Confident | 89.2 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -60.4 | 123.8 | 171.3 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | E133 L135 G154 R160 | E133-S156 WeakPolarHBondContact O-CB 3.38Å; E133-S156 PolarHBondContact O-OG 3.46Å; L135-S156 CarbonylContact O-C 3.53Å; L135-S156 WeakPolarHBondContact O-CA 3.39Å; G154-S156 PolarHBondContact O-N 2.93Å; S156-R160 PolarHBondContact O-N 2.88Å |
| 157 | L | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.6 | -52.6 | -179 | -64.2 | -170.2 | 0 | 0 | 0 | 111.7 | W34 R38 L135 A137 L151 K155 R159 R160 L161 | W34-L157 HydrophobicContact CH2-CD1 3.75Å; W34-L157 HydrophobicContact CH2-CD2 3.89Å; W34-L157 HydrophobicContact CH2-CG 4.28Å; W34-L157 HydrophobicContact CZ2-CD1 3.74Å; W34-L157 HydrophobicContact CZ2-CD2 4.01Å; W34-L157 HydrophobicContact CZ2-CG 4.5Å; R38-L157 HydrophobicContact CB-CD1 4.35Å; R38-L157 HydrophobicContact CG-CD1 4.17Å; L135-L157 HydrophobicContact CD2-CD1 3.99Å; L135-L157 HydrophobicContact CG-CD1 3.89Å; L135-L157 HydrophobicContact CG-CG 4.41Å; L135-L157 PolarHBondContact O-N 3.47Å; A137-L157 HydrophobicContact CB-CD2 3.8Å; L151-L157 HydrophobicContact CD1-CD2 3.77Å; L151-L157 HydrophobicContact CD2-CD2 4.05Å; K155-L157 PolarHBondContact O-N 3.26Å; L157-R159 PolarHBondContact O-N 3.46Å; L157-R160 PolarHBondContact O-N 2.92Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L157-L161 PolarHBondContact O-N 2.88Å |
| 158 | L | 91 | Very high | 89.4 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -49.9 | -41.4 | 179.8 | 173.3 | 60.9 | 0 | 0 | 0 | 110.2 | L132 E133 L161 L162 V170 | L132-L158 HydrophobicContact CB-CD2 3.96Å; L132-L158 WeakPolarHBondContact O-CB 3.46Å; E133-L158 HydrophobicContact CG-CD2 3.93Å; L158-L161 WeakPolarHBondContact O-CB 3.46Å; L158-L161 PolarHBondContact O-N 2.95Å; L158-L162 HydrophobicContact CD1-CD1 4.27Å; L158-L162 HydrophobicContact CD1-CG 4.46Å; L158-L162 HydrophobicContact CG-CD1 4.18Å; L158-L162 WeakPolarHBondContact O-CG 3.35Å; L158-L162 PolarHBondContact O-N 3.46Å; L158-V170 HydrophobicContact CD1-CG2 3.69Å |
| 159 | R | 86.1 | Confident | 89.6 | Confident | 94 Ų | 94 | 44 Ų | 44 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -78.1 | -33.5 | -175.1 | -162.4 | 64.4 | -162.5 | -129 | -9.6 | 114.4 | L157 L161 T163 P286 | L157-R159 PolarHBondContact O-N 3.46Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-T163 PolarHBondContact O-N 2.92Å; R159-T163 VanDerWaalsContact O-N 3.15Å; R159-T163 PolarHBondContact O-OG1 3.16Å; R159-P286 HydrophobicContact CB-CB 4.38Å; R159-P286 HydrophobicContact CB-CG 4.41Å; R159-P286 HydrophobicContact CG-CB 3Å; R159-P286 HydrophobicContact CG-CG 3.15Å; R159-P286 VanDerWaalsContact NH1-CG 3.31Å; R159-P286 VanDerWaalsContact NH2-CD 3.32Å |
| 160 | R | 89.6 | Confident | 89.9 | Confident | 62 Ų | 62 | 45.1 Ų | 45.1 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 170 | -171.1 | 65.2 | -177.2 | 133.5 | 1.3 | 110.5 | I143 Q148 K150 L151 S156 L157 L162 T163 S164 | I143-R160 HydrophobicContact CD1-CB 4.34Å; I143-R160 HydrophobicContact CD1-CG 3.93Å; Q148-R160 PolarHBondContact O-NH2 3.12Å; K150-R160 PolarHBondContact O-NE 3.45Å; K150-R160 VanDerWaalsContact O-NE 3.13Å; L151-R160 HydrophobicContact CD2-CB 3.82Å; L151-R160 HydrophobicContact CD2-CG 3.79Å; S156-R160 PolarHBondContact O-N 2.88Å; L157-R160 PolarHBondContact O-N 2.92Å; R160-L162 PolarHBondContact O-N 3.28Å; R160-T163 PolarHBondContact O-N 3.14Å; R160-S164 PolarHBondContact O-N 3.05Å; R160-S164 PolarHBondContact O-OG 2.76Å; R160-S164 VanDerWaalsContact O-OG 3.04Å |
| 161 | L | 93.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.3 | -72.4 | 162 | 0 | 0 | 0 | 113.1 | W34 L35 I143 L157 L158 R159 S164 G165 I166 V167 | W34-L161 HydrophobicContact CZ3-CD2 4.48Å; L35-L161 HydrophobicContact CD1-CD1 3.76Å; L35-L161 HydrophobicContact CD2-CD1 4.32Å; I143-L161 HydrophobicContact CD1-CD2 3.72Å; I143-L161 HydrophobicContact CD1-CG 4.01Å; I143-L161 HydrophobicContact CG2-CD2 4.38Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L157-L161 PolarHBondContact O-N 2.88Å; L158-L161 WeakPolarHBondContact O-CB 3.46Å; L158-L161 PolarHBondContact O-N 2.95Å; R159-L161 VanDerWaalsContact C-N 3.32Å; L161-S164 PolarHBondContact O-OG 3.29Å; L161-G165 PolarHBondContact O-N 3.03Å; L161-I166 HydrophobicContact CD2-CB 3.82Å; L161-I166 HydrophobicContact CD2-CD1 4.03Å; L161-I166 HydrophobicContact CD2-CG2 3.62Å; L161-I166 PolarHBondContact O-N 2.78Å; L161-V167 HydrophobicContact CB-CB 4.06Å; L161-V167 HydrophobicContact CB-CG2 3.61Å; L161-V167 HydrophobicContact CD1-CG2 4.14Å; L161-V167 HydrophobicContact CD2-CG2 4.5Å; L161-V167 HydrophobicContact CG-CG2 4.3Å; L161-V167 PolarHBondContact O-N 3.44Å |
| 162 | L | 91.9 | Very high | 90.7 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 174.1 | -75.2 | 164.9 | 0 | 0 | 0 | 111.7 | L158 R160 S164 G165 V167 | L158-L162 HydrophobicContact CD1-CD1 4.27Å; L158-L162 HydrophobicContact CD1-CG 4.46Å; L158-L162 HydrophobicContact CG-CD1 4.18Å; L158-L162 WeakPolarHBondContact O-CG 3.35Å; L158-L162 PolarHBondContact O-N 3.46Å; R160-L162 PolarHBondContact O-N 3.28Å; L162-S164 VanDerWaalsContact C-N 3.31Å; L162-S164 PolarHBondContact O-N 3.48Å; L162-G165 PolarHBondContact O-N 2.97Å; L162-V167 HydrophobicContact CD2-CB 4.23Å; L162-V167 HydrophobicContact CD2-CG1 3.73Å; L162-V167 HydrophobicContact CG-CB 4.43Å; L162-V167 HydrophobicContact CG-CG1 4.24Å |
| 163 | T | 88.9 | Confident | 91.2 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.4 | -29.7 | -177.4 | -48 | 0 | 0 | 0 | 0 | 112.3 | R159 R160 G165 | R159-T163 PolarHBondContact O-N 2.92Å; R159-T163 VanDerWaalsContact O-N 3.15Å; R159-T163 PolarHBondContact O-OG1 3.16Å; R160-T163 PolarHBondContact O-N 3.14Å; T163-G165 VanDerWaalsContact C-N 3.33Å |
| 164 | S | 91.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 33% | 0.329 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -1.2 | 175.6 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | R160 L161 L162 I166 | R160-S164 PolarHBondContact O-N 3.05Å; R160-S164 PolarHBondContact O-OG 2.76Å; R160-S164 VanDerWaalsContact O-OG 3.04Å; L161-S164 PolarHBondContact O-OG 3.29Å; L162-S164 VanDerWaalsContact C-N 3.31Å; L162-S164 PolarHBondContact O-N 3.48Å; S164-I166 VanDerWaalsContact C-N 3.27Å; S164-I166 PolarHBondContact O-N 3.32Å; S164-I166 WeakPolarHBondContact OG-CD1 3.3Å; S164-I166 WeakPolarHBondContact OG-CG1 3.44Å |
| 165 | G | 92.6 | Very high | 92.5 | Very high | 44 Ų | 44 | 34 Ų | 34 | 45% | 0.454 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 20 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A24 L161 L162 T163 | A24-G165 WeakPolarHBondContact CB-O 3.07Å; L161-G165 PolarHBondContact O-N 3.03Å; L162-G165 PolarHBondContact O-N 2.97Å; T163-G165 VanDerWaalsContact C-N 3.33Å |
| 166 | I | 95.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -80.2 | -44.4 | 175.7 | -64.2 | 170 | 0 | 0 | 0 | 109.5 | L23 A24 V27 T31 I143 Y146 L161 S164 | L23-I166 WeakPolarHBondContact CA-O 3.27Å; A24-I166 PolarHBondContact N-O 3.2Å; V27-I166 HydrophobicContact CG1-CG2 4.06Å; V27-I166 HydrophobicContact CG2-CG2 3.93Å; T31-I166 HydrophobicContact CG2-CG2 4.23Å; I143-I166 HydrophobicContact CD1-CD1 4.02Å; I143-I166 HydrophobicContact CG2-CD1 4.06Å; Y146-I166 HydrophobicContact CD1-CD1 4.08Å; Y146-I166 HydrophobicContact CD1-CG1 4.38Å; Y146-I166 HydrophobicContact CD2-CD1 3.6Å; Y146-I166 HydrophobicContact CD2-CG1 4.35Å; Y146-I166 HydrophobicContact CE1-CD1 4.41Å; Y146-I166 HydrophobicContact CE1-CG1 4.29Å; Y146-I166 HydrophobicContact CE2-CD1 3.96Å; Y146-I166 HydrophobicContact CE2-CG1 4.26Å; Y146-I166 HydrophobicContact CG-CD1 3.68Å; Y146-I166 HydrophobicContact CG-CG1 4.42Å; L161-I166 HydrophobicContact CD2-CB 3.82Å; L161-I166 HydrophobicContact CD2-CD1 4.03Å; L161-I166 HydrophobicContact CD2-CG2 3.62Å; L161-I166 PolarHBondContact O-N 2.78Å; S164-I166 VanDerWaalsContact C-N 3.27Å; S164-I166 PolarHBondContact O-N 3.32Å; S164-I166 WeakPolarHBondContact OG-CD1 3.3Å; S164-I166 WeakPolarHBondContact OG-CG1 3.44Å |
| 167 | V | 95.6 | Very high | 93 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.1 | 166.2 | 172.8 | 0 | 0 | 0 | 0 | 106.5 | I21 L23 L161 L162 V170 | I21-V167 HydrophobicContact CG2-CG1 4.11Å; I21-V167 HydrophobicContact CG2-CG2 4.23Å; L23-V167 HydrophobicContact CD2-CB 4.35Å; L23-V167 HydrophobicContact CD2-CG2 3.51Å; L161-V167 HydrophobicContact CB-CB 4.06Å; L161-V167 HydrophobicContact CB-CG2 3.61Å; L161-V167 HydrophobicContact CD1-CG2 4.14Å; L161-V167 HydrophobicContact CD2-CG2 4.5Å; L161-V167 HydrophobicContact CG-CG2 4.3Å; L161-V167 PolarHBondContact O-N 3.44Å; L162-V167 HydrophobicContact CD2-CB 4.23Å; L162-V167 HydrophobicContact CD2-CG1 3.73Å; L162-V167 HydrophobicContact CG-CB 4.43Å; L162-V167 HydrophobicContact CG-CG1 4.24Å; V167-V170 HydrophobicContact CG1-CG2 3.69Å |
| 168 | I | 94.1 | Very high | 93.1 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 48% | 0.477 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -53.5 | 177.2 | -55 | -176.3 | 0 | 0 | 0 | 109.1 | E22 A24 | E22-I168 HydrophobicContact CB-CB 4.47Å; E22-I168 HydrophobicContact CG-CB 4.29Å; E22-I168 HydrophobicContact CG-CD1 4.03Å; E22-I168 HydrophobicContact CG-CG1 4.42Å; E22-I168 PolarHBondContact O-N 2.97Å; A24-I168 HydrophobicContact CB-CG1 4.37Å |
| 169 | Q | 94.5 | Very high | 93.2 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 154.8 | -177.2 | 54.9 | -178.9 | -8.2 | 0 | 0 | 111.6 | E22 F171 K486 | E22-Q169 HydrophobicContact CB-CG 3.96Å; E22-Q169 PolarHBondContact N-O 3.17Å; E22-Q169 VanDerWaalsContact OE2-CG 3.23Å; E22-Q169 WeakPolarHBondContact OE2-CG 3.33Å; E22-Q169 PolarHBondContact OE2-NE2 3.38Å; Q169-F171 HydrophobicContact CG-CD1 4.05Å; Q169-F171 HydrophobicContact CG-CE1 4.25Å; Q169-K486 PolarHBondContact NE2-O 2.66Å; Q169-K486 VanDerWaalsContact NE2-O 3.13Å |
| 170 | V | 96.2 | Very high | 93.6 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 124.3 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 106.8 | V19 V20 I21 L132 L158 V167 F545 | V19-V170 HydrophobicContact CG1-CG1 3.47Å; V19-V170 VanDerWaalsContact CG1-CG1 3.47Å; V20-V170 VanDerWaalsContact O-CA 3.32Å; V20-V170 WeakPolarHBondContact O-CA 3.47Å; I21-V170 HydrophobicContact CG1-CG1 4.14Å; I21-V170 HydrophobicContact CG1-CG2 4.04Å; I21-V170 HydrophobicContact CG2-CG2 4.32Å; L132-V170 HydrophobicContact CD1-CG1 4.5Å; L158-V170 HydrophobicContact CD1-CG2 3.69Å; V167-V170 HydrophobicContact CG1-CG2 3.69Å; V170-F545 HydrophobicContact CG1-CZ 4.13Å; V170-F545 WeakPolarHBondContact O-CE2 3.32Å |
| 171 | F | 96.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.9 | -176.3 | 62.3 | -88.2 | 0 | 0 | 0 | 111.7 | V20 Q169 L173 E485 K486 K542 | V20-F171 HydrophobicContact CB-CD1 4.32Å; V20-F171 HydrophobicContact CB-CD2 4.33Å; V20-F171 HydrophobicContact CB-CE1 3.9Å; V20-F171 HydrophobicContact CB-CE2 3.9Å; V20-F171 HydrophobicContact CB-CZ 3.67Å; V20-F171 HydrophobicContact CG1-CE1 3.91Å; V20-F171 HydrophobicContact CG1-CE2 4.45Å; V20-F171 HydrophobicContact CG1-CZ 3.75Å; V20-F171 HydrophobicContact CG2-CD2 4.48Å; V20-F171 HydrophobicContact CG2-CE2 3.88Å; V20-F171 HydrophobicContact CG2-CZ 4Å; V20-F171 PolarHBondContact N-O 3.03Å; V20-F171 PolarHBondContact O-N 3.23Å; V20-F171 VanDerWaalsContact O-N 3.07Å; Q169-F171 HydrophobicContact CG-CD1 4.05Å; Q169-F171 HydrophobicContact CG-CE1 4.25Å; F171-L173 HydrophobicContact CE2-CD2 4.33Å; F171-E485 HydrophobicContact CE2-CB 3.96Å; F171-K486 HydrophobicContact CZ-CB 4.2Å; F171-K542 HydrophobicContact CB-CD 4.24Å; F171-K542 HydrophobicContact CD2-CD 4.25Å; F171-K542 HydrophobicContact CG-CD 4.12Å |
| 172 | P | 97.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 149.8 | 174.7 | 30.7 | -27.8 | 0 | 0 | 0 | 111.2 | Q125 R543 F545 | Q125-P172 HydrophobicContact CB-CB 4Å; Q125-P172 HydrophobicContact CG-CB 3.89Å; P172-R543 VanDerWaalsContact CD-O 3.24Å; P172-R543 WeakPolarHBondContact CD-O 3.24Å; P172-R543 HydrophobicContact CG-CB 4.05Å; P172-R543 HydrophobicContact CG-CG 4.08Å; P172-R543 WeakPolarHBondContact CG-O 3.44Å; P172-F545 HydrophobicContact CB-CD1 4.12Å; P172-F545 HydrophobicContact CB-CE1 3.87Å; P172-F545 HydrophobicContact CB-CZ 4.44Å; P172-F545 HydrophobicContact CG-CD1 3.81Å; P172-F545 HydrophobicContact CG-CD2 4.46Å; P172-F545 HydrophobicContact CG-CE1 3.89Å; P172-F545 HydrophobicContact CG-CG 4.1Å; P172-F545 HydrophobicContact CG-CZ 4.26Å |
| 173 | L | 95.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 147.2 | 176 | -72.5 | 173.8 | 0 | 0 | 0 | 112.8 | P17 L18 V20 L71 Q125 F171 L478 V482 E485 R543 | P17-L173 HydrophobicContact CB-CD1 3.95Å; P17-L173 HydrophobicContact CG-CD1 4.17Å; L18-L173 PolarHBondContact O-N 3.3Å; V20-L173 HydrophobicContact CG2-CD1 4.04Å; V20-L173 HydrophobicContact CG2-CD2 3.58Å; V20-L173 HydrophobicContact CG2-CG 3.71Å; L71-L173 HydrophobicContact CD2-CD1 4.49Å; Q125-L173 PolarHBondContact NE2-O 3Å; F171-L173 HydrophobicContact CE2-CD2 4.33Å; L173-L478 HydrophobicContact CD1-CD1 4.32Å; L173-V482 HydrophobicContact CD1-CG2 4.37Å; L173-V482 HydrophobicContact CD2-CG2 3.94Å; L173-E485 WeakPolarHBondContact CA-OE2 3.2Å; L173-R543 VanDerWaalsContact O-CD 3.23Å; L173-R543 WeakPolarHBondContact O-CD 3.1Å; L173-R543 PolarHBondContact O-NH1 3.43Å |
| 174 | H | 95.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 145.8 | 164.3 | -79.7 | -80.8 | 0 | 0 | 0 | 112 | Y203 Q481 E485 R543 | H174-Y203 WeakPolarHBondContact CB-OH 3.36Å; H174-Y203 AromaticContact ND1-CE1 3.62Å; H174-Y203 AromaticContact ND1-CZ 3.72Å; H174-Y203 PolarHBondContact ND1-OH 3.32Å; H174-Q481 PolarHBondContact O-NE2 3.35Å; H174-E485 WeakPolarHBondContact CB-OE1 3.25Å; H174-E485 IonicContact CD2-OE2 2.76Å; H174-E485 PolarHBondContact N-OE1 3.32Å; H174-E485 PolarHBondContact N-OE2 2.8Å; H174-R543 WeakPolarHBondContact NE2-CA 3.13Å; H174-R543 PolarHBondContact NE2-N 3.47Å |
| 175 | D | 94.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | trans | -96.6 | 109.6 | 157 | 174 | -5.9 | 0 | 0 | 0 | 107.7 | M121 E177 A178 L179 Y203 | M121-D175 HydrophobicContact CE-CB 4.4Å; M121-D175 HydrophobicContact SD-CB 3.64Å; D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 3.46Å; D175-E177 PolarHBondContact OD1-N 3.32Å; D175-A178 HydrophobicContact CB-CB 4.11Å; D175-A178 PolarHBondContact OD1-N 3.39Å; D175-A178 VanDerWaalsContact OD1-N 3.13Å; D175-A178 WeakPolarHBondContact OD2-CB 3.3Å; D175-L179 WeakPolarHBondContact O-CB 3.42Å; D175-L179 PolarHBondContact O-N 2.89Å; D175-Y203 HydrophobicContact CB-CE2 4.24Å; D175-Y203 PolarHBondContact N-OH 3.19Å; D175-Y203 PolarHBondContact O-OH 2.88Å | ||
| 176 | N | 90.3 | Very high | 93.5 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.4 | -32.8 | -176.1 | -74.6 | -48.6 | 0 | 0 | 0 | 112.7 | K180 Q481 | N176-K180 WeakPolarHBondContact O-CB 3.45Å; N176-K180 PolarHBondContact O-N 3.13Å; N176-K180 VanDerWaalsContact O-N 3.14Å; N176-Q481 PolarHBondContact ND2-OE1 3.38Å |
| 177 | E | 91.4 | Very high | 93.1 | Very high | 145 Ų | 145 | 45.9 Ų | 45.9 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -76.3 | -47.3 | -178.5 | -63.9 | -172.7 | -176.8 | 0 | 0 | 111 | D175 L179 K180 K181 | D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 3.46Å; D175-E177 PolarHBondContact OD1-N 3.32Å; E177-L179 VanDerWaalsContact C-N 3.32Å; E177-L179 PolarHBondContact O-N 3.39Å; E177-K180 PolarHBondContact O-N 2.9Å; E177-K181 WeakPolarHBondContact O-CG 3.36Å; E177-K181 PolarHBondContact O-N 3.16Å; E177-K181 VanDerWaalsContact O-N 3.16Å |
| 178 | A | 93 | Very high | 91.8 | Very high | 34 Ų | 34 | 47 Ų | 47 | 28% | 0.281 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.1 | -37 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D175 K181 L182 Y203 | D175-A178 HydrophobicContact CB-CB 4.11Å; D175-A178 PolarHBondContact OD1-N 3.39Å; D175-A178 VanDerWaalsContact OD1-N 3.13Å; D175-A178 WeakPolarHBondContact OD2-CB 3.3Å; A178-K181 PolarHBondContact O-N 3.47Å; A178-L182 PolarHBondContact O-N 3.33Å; A178-Y203 HydrophobicContact CB-CD2 4.18Å; A178-Y203 HydrophobicContact CB-CE2 3.99Å |
| 179 | L | 94.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.3 | -172.4 | 58.7 | 0 | 0 | 0 | 111.7 | D175 E177 K181 L182 E183 Y203 F204 C538 | D175-L179 WeakPolarHBondContact O-CB 3.42Å; D175-L179 PolarHBondContact O-N 2.89Å; E177-L179 VanDerWaalsContact C-N 3.32Å; E177-L179 PolarHBondContact O-N 3.39Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 2.88Å; L179-L182 WeakPolarHBondContact O-CB 3.34Å; L179-L182 PolarHBondContact O-N 3.01Å; L179-L182 VanDerWaalsContact O-N 3.12Å; L179-E183 WeakPolarHBondContact O-CG 3.48Å; L179-E183 PolarHBondContact O-N 3.13Å; L179-Y203 HydrophobicContact CB-CE2 4.04Å; L179-Y203 WeakPolarHBondContact CB-OH 3.21Å; L179-Y203 HydrophobicContact CD1-CD1 4.35Å; L179-Y203 HydrophobicContact CD1-CE1 3.81Å; L179-Y203 HydrophobicContact CD1-CE2 4.49Å; L179-F204 HydrophobicContact CD1-CE2 4.31Å; L179-F204 HydrophobicContact CD1-CZ 4.02Å; L179-C538 HydrophobicContact CD1-CB 4.06Å; L179-C538 HydrophobicContact CD2-CB 4.49Å; L179-C538 WeakPolarHBondContact CD2-O 3.41Å; L179-C538 HydrophobicContact CG-CB 4.45Å |
| 180 | K | 93.2 | Very high | 88.4 | Confident | 128 Ų | 128 | 59.4 Ų | 59.4 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 177.9 | -170.9 | 176.6 | -179.3 | -177.4 | 0 | 111.9 | N176 E177 L182 E183 D184 | N176-K180 WeakPolarHBondContact O-CB 3.45Å; N176-K180 PolarHBondContact O-N 3.13Å; N176-K180 VanDerWaalsContact O-N 3.14Å; E177-K180 PolarHBondContact O-N 2.9Å; K180-L182 VanDerWaalsContact C-N 3.28Å; K180-L182 PolarHBondContact O-N 2.64Å; K180-E183 WeakPolarHBondContact O-CB 3.24Å; K180-E183 PolarHBondContact O-N 2.77Å; K180-D184 PolarHBondContact O-N 3.25Å |
| 181 | K | 93.9 | Very high | 86.7 | Confident | 143 Ų | 143 | 61.6 Ų | 61.6 | 62% | 0.622 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62 | -36.4 | 174.3 | -69.9 | 173.1 | -176 | 168.6 | 0 | 112.2 | E177 A178 L179 S185 | E177-K181 WeakPolarHBondContact O-CG 3.36Å; E177-K181 PolarHBondContact O-N 3.16Å; E177-K181 VanDerWaalsContact O-N 3.16Å; A178-K181 PolarHBondContact O-N 3.47Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 2.88Å; K181-S185 PolarHBondContact O-OG 3.09Å |
| 182 | L | 94.1 | Very high | 85.4 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.6 | -51.1 | 175.3 | 178.6 | 60.9 | 0 | 0 | 0 | 110.6 | A178 L179 K180 D184 S185 W186 P196 R199 I200 Y203 F204 | A178-L182 PolarHBondContact O-N 3.33Å; L179-L182 WeakPolarHBondContact O-CB 3.34Å; L179-L182 PolarHBondContact O-N 3.01Å; L179-L182 VanDerWaalsContact O-N 3.12Å; K180-L182 VanDerWaalsContact C-N 3.28Å; K180-L182 PolarHBondContact O-N 2.64Å; L182-D184 VanDerWaalsContact C-N 3.34Å; L182-D184 PolarHBondContact O-N 3.01Å; L182-S185 CarbonylContact O-C 3.5Å; L182-S185 PolarHBondContact O-N 2.9Å; L182-S185 PolarHBondContact O-OG 2.83Å; L182-W186 HydrophobicContact CD1-CE3 4.27Å; L182-W186 HydrophobicContact CD2-CE3 3.92Å; L182-W186 HydrophobicContact CD2-CZ3 3.96Å; L182-W186 HydrophobicContact CG-CE3 3.8Å; L182-W186 HydrophobicContact CG-CZ3 4.37Å; L182-W186 VanDerWaalsContact O-CB 3.27Å; L182-W186 WeakPolarHBondContact O-CB 3.42Å; L182-W186 PolarHBondContact O-N 3.04Å; L182-P196 HydrophobicContact CD1-CG 4.4Å; L182-R199 HydrophobicContact CD1-CB 3.64Å; L182-I200 HydrophobicContact CD1-CG1 4.26Å; L182-Y203 HydrophobicContact CD2-CG 4.15Å; L182-F204 HydrophobicContact CD2-CD2 4.21Å; L182-F204 HydrophobicContact CD2-CE2 3.85Å |
| 183 | E | 92.1 | Very high | 84.5 | Confident | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.065 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -50.9 | -49.4 | 177.7 | -78.1 | -176.7 | 162.1 | 0 | 0 | 112.6 | L179 K180 S185 W186 Y187 C538 R539 | L179-E183 WeakPolarHBondContact O-CG 3.48Å; L179-E183 PolarHBondContact O-N 3.13Å; K180-E183 WeakPolarHBondContact O-CB 3.24Å; K180-E183 PolarHBondContact O-N 2.77Å; E183-S185 PolarHBondContact O-N 3.46Å; E183-W186 PolarHBondContact O-N 3.4Å; E183-W186 VanDerWaalsContact O-N 3.14Å; E183-Y187 HydrophobicContact CB-CD2 4.08Å; E183-Y187 HydrophobicContact CB-CE2 3.61Å; E183-Y187 HydrophobicContact CG-CE2 3.68Å; E183-Y187 VanDerWaalsContact O-CD2 3.23Å; E183-Y187 WeakPolarHBondContact O-CD2 3.25Å; E183-Y187 PolarHBondContact O-N 3.01Å; E183-Y187 VanDerWaalsContact O-N 3.13Å; E183-C538 HydrophobicContact CG-CB 4.06Å; E183-C538 VanDerWaalsContact OE1-CB 3.24Å; E183-C538 WeakPolarHBondContact OE1-CB 3.45Å; E183-R539 IonicContact OE1-CZ 3.01Å; E183-R539 VanDerWaalsContact OE1-CZ 3.29Å; E183-R539 IonicContact OE1-NE 2.76Å; E183-R539 PolarHBondContact OE1-NE 2.88Å; E183-R539 IonicContact OE1-NH2 2.7Å; E183-R539 PolarHBondContact OE1-NH2 2.92Å; E183-R539 IonicContact OE2-CZ 2.74Å; E183-R539 IonicContact OE2-NE 3.24Å; E183-R539 IonicContact OE2-NH2 3.17Å; E183-R539 PolarHBondContact OE2-NH2 3.35Å |
| 184 | D | 89.4 | Confident | 84.1 | Confident | 100 Ų | 100 | 80.4 Ų | 80.4 | 54% | 0.535 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.4 | -31.4 | -179.9 | -73.4 | -29 | 0 | 0 | 0 | 112.4 | K180 L182 | K180-D184 PolarHBondContact O-N 3.25Å; L182-D184 VanDerWaalsContact C-N 3.34Å; L182-D184 PolarHBondContact O-N 3.01Å |
| 185 | S | 88.6 | Confident | 83.9 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 12% | 0.119 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -89.2 | -23.4 | 179 | 71.2 | 0 | 0 | 0 | 0 | 114.3 | K181 L182 E183 K193 | K181-S185 PolarHBondContact O-OG 3.09Å; L182-S185 CarbonylContact O-C 3.5Å; L182-S185 PolarHBondContact O-N 2.9Å; L182-S185 PolarHBondContact O-OG 2.83Å; E183-S185 PolarHBondContact O-N 3.46Å; S185-K193 PolarHBondContact O-NZ 3.27Å |
| 186 | W | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -92.1 | -44.7 | -169.6 | -164.5 | -2 | 0 | 0 | 0 | 112.8 | L182 E183 T188 Q195 P196 I200 F204 F212 A534 | L182-W186 HydrophobicContact CD1-CE3 4.27Å; L182-W186 HydrophobicContact CD2-CE3 3.92Å; L182-W186 HydrophobicContact CD2-CZ3 3.96Å; L182-W186 HydrophobicContact CG-CE3 3.8Å; L182-W186 HydrophobicContact CG-CZ3 4.37Å; L182-W186 VanDerWaalsContact O-CB 3.27Å; L182-W186 WeakPolarHBondContact O-CB 3.42Å; L182-W186 PolarHBondContact O-N 3.04Å; E183-W186 PolarHBondContact O-N 3.4Å; E183-W186 VanDerWaalsContact O-N 3.14Å; W186-T188 PolarHBondContact O-N 3.23Å; W186-T188 VanDerWaalsContact O-N 3.1Å; W186-Q195 VanDerWaalsContact NE1-OE1 3.16Å; W186-P196 HydrophobicContact CB-CG 4.15Å; W186-P196 HydrophobicContact CG-CG 4.29Å; W186-I200 HydrophobicContact CD2-CD1 3.94Å; W186-I200 HydrophobicContact CD2-CG1 3.92Å; W186-I200 HydrophobicContact CE3-CG1 4.16Å; W186-I200 HydrophobicContact CG-CD1 4.42Å; W186-I200 HydrophobicContact CH2-CB 4.43Å; W186-I200 HydrophobicContact CH2-CD1 4.08Å; W186-I200 HydrophobicContact CH2-CG1 3.86Å; W186-I200 HydrophobicContact CH2-CG2 3.76Å; W186-I200 HydrophobicContact CZ2-CB 4.44Å; W186-I200 HydrophobicContact CZ2-CD1 3.3Å; W186-I200 HydrophobicContact CZ2-CG1 3.6Å; W186-I200 HydrophobicContact CZ2-CG2 3.96Å; W186-I200 HydrophobicContact CZ3-CG1 4.15Å; W186-I200 HydrophobicContact CZ3-CG2 4.49Å; W186-F204 HydrophobicContact CH2-CD2 4.3Å; W186-F204 HydrophobicContact CH2-CE2 4.22Å; W186-F204 HydrophobicContact CZ3-CD2 4.14Å; W186-F204 AromaticContact CZ3-CE2 3.7Å; W186-F204 HydrophobicContact CZ3-CE2 3.7Å; W186-F212 HydrophobicContact CH2-CD2 4.02Å; W186-F212 HydrophobicContact CH2-CE1 4.34Å; W186-F212 AromaticContact CH2-CE2 3.61Å; W186-F212 HydrophobicContact CH2-CE2 3.61Å; W186-F212 AromaticContact CH2-CZ 3.79Å; W186-F212 HydrophobicContact CH2-CZ 3.79Å; W186-F212 AromaticContact CZ2-CD1 3.65Å; W186-F212 HydrophobicContact CZ2-CD1 3.65Å; W186-F212 AromaticContact CZ2-CD2 3.57Å; W186-F212 HydrophobicContact CZ2-CD2 3.57Å; W186-F212 AromaticContact CZ2-CE1 3.51Å; W186-F212 HydrophobicContact CZ2-CE1 3.51Å; W186-F212 AromaticContact CZ2-CE2 3.44Å; W186-F212 HydrophobicContact CZ2-CE2 3.44Å; W186-F212 VanDerWaalsContact CZ2-CE2 3.44Å; W186-F212 AromaticContact CZ2-CG 3.67Å; W186-F212 HydrophobicContact CZ2-CG 3.67Å; W186-F212 AromaticContact CZ2-CZ 3.4Å; W186-F212 HydrophobicContact CZ2-CZ 3.4Å; W186-F212 VanDerWaalsContact CZ2-CZ 3.4Å; W186-A534 HydrophobicContact CD2-CB 3.83Å; W186-A534 HydrophobicContact CE3-CB 4.15Å; W186-A534 HydrophobicContact CG-CB 4.27Å; W186-A534 HydrophobicContact CH2-CB 4.37Å; W186-A534 HydrophobicContact CZ2-CB 4.03Å; W186-A534 HydrophobicContact CZ3-CB 4.39Å |
| 187 | Y | 85.6 | Confident | 84.1 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | trans | -66.3 | 113.2 | -177.9 | -63.7 | -55 | 0 | 0 | 0 | 111.9 | E183 R189 N531 A534 L535 | E183-Y187 HydrophobicContact CB-CD2 4.08Å; E183-Y187 HydrophobicContact CB-CE2 3.61Å; E183-Y187 HydrophobicContact CG-CE2 3.68Å; E183-Y187 VanDerWaalsContact O-CD2 3.23Å; E183-Y187 WeakPolarHBondContact O-CD2 3.25Å; E183-Y187 PolarHBondContact O-N 3.01Å; E183-Y187 VanDerWaalsContact O-N 3.13Å; Y187-R189 PolarHBondContact O-N 3.11Å; Y187-R189 VanDerWaalsContact O-N 3.11Å; Y187-N531 WeakPolarHBondContact CA-OD1 3.47Å; Y187-A534 HydrophobicContact CD1-CB 4.16Å; Y187-A534 HydrophobicContact CE1-CB 3.76Å; Y187-L535 HydrophobicContact CE1-CB 4.29Å; Y187-L535 WeakPolarHBondContact OH-CA 3.22Å | ||
| 188 | T | 69.6 | Low | 84.3 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 16% | 0.16 | 35% | 0.35 | C | S | . | . | trans | -86.8 | 79.7 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 108.7 | W186 F190 K193 N531 | W186-T188 PolarHBondContact O-N 3.23Å; W186-T188 VanDerWaalsContact O-N 3.1Å; T188-F190 VanDerWaalsContact C-N 3.34Å; T188-F190 PolarHBondContact O-N 3.39Å; T188-K193 HydrophobicContact CG2-CB 4.02Å; T188-N531 PolarHBondContact N-OD1 3.29Å; T188-N531 PolarHBondContact O-ND2 2.92Å; T188-N531 VanDerWaalsContact O-ND2 3.14Å; T188-N531 PolarHBondContact OG1-ND2 3.48Å; T188-N531 PolarHBondContact OG1-OD1 3.22Å | ||
| 189 | R | 62.5 | Low | 84.4 | Confident | 181 Ų | 181 | 78.9 Ų | 78.9 | 68% | 0.683 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -58.9 | -39.2 | -171.5 | -74.7 | -178.6 | -108.6 | -176.2 | -5.6 | 113.5 | Y187 | Y187-R189 PolarHBondContact O-N 3.11Å; Y187-R189 VanDerWaalsContact O-N 3.11Å |
| 190 | F | 53 | Low | 84.5 | Confident | 210 Ų | 210 | 78.8 Ų | 78.8 | 92% | 0.921 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -154.7 | 1.4 | -175.5 | -68.2 | -72.3 | 0 | 0 | 0 | 116.8 | T188 | T188-F190 VanDerWaalsContact C-N 3.34Å; T188-F190 PolarHBondContact O-N 3.39Å |
| 191 | A | 61.3 | Low | 84.6 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 60% | 0.595 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -133.1 | 146.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K193 | A191-K193 PolarHBondContact O-N 3.05Š|
| 192 | L | 68.8 | Low | 84.7 | Confident | 115 Ų | 115 | 68.9 Ų | 68.9 | 60% | 0.602 | 33% | 0.326 | S | S | * | . | trans | -61.5 | 99.5 | 172.7 | -163.7 | 91.3 | 0 | 0 | 0 | 109 | F220 F527 | L192-F220 HydrophobicContact CD1-CE1 3.75Å; L192-F220 HydrophobicContact CD1-CZ 4.44Å; L192-F220 HydrophobicContact CD2-CE1 3.85Å; L192-F220 HydrophobicContact CG-CE1 3.88Å; L192-F220 HydrophobicContact CG-CZ 4.31Å; L192-F527 HydrophobicContact CD1-CE1 3.37Å; L192-F527 HydrophobicContact CD1-CZ 3.4Å; L192-F527 VanDerWaalsContact CD1-CZ 3.4Å | ||
| 193 | K | 78.8 | Confident | 84.8 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | trans | -124.1 | 135.6 | 178.9 | -175.1 | -171.9 | 174.2 | -166.2 | 0 | 108.5 | S185 T188 A191 Q195 | S185-K193 PolarHBondContact O-NZ 3.27Å; T188-K193 HydrophobicContact CG2-CB 4.02Å; A191-K193 PolarHBondContact O-N 3.05Å; K193-Q195 PolarHBondContact O-N 3.5Å | ||
| 194 | Y | 87.2 | Confident | 85 | Confident | 178 Ų | 178 | 68.7 Ų | 68.7 | 70% | 0.698 | 33% | 0.325 | S | S | * | . | trans | -59.8 | 136.2 | 172.2 | -69.4 | -73.4 | 0 | 0 | 0 | 110.8 | E216 F220 | Y194-E216 WeakPolarHBondContact CA-OE1 3.46Å; Y194-E216 VanDerWaalsContact CD1-OE1 3.31Å; Y194-E216 WeakPolarHBondContact CD1-OE1 3.37Å; Y194-F220 HydrophobicContact CD1-CE2 4.01Å; Y194-F220 HydrophobicContact CD1-CZ 4.29Å; Y194-F220 AromaticContact CE1-CE2 3.89Å; Y194-F220 HydrophobicContact CE1-CE2 3.89Å; Y194-F220 HydrophobicContact CE1-CZ 4.11Å | ||
| 195 | Q | 91.2 | Very high | 85.3 | Confident | 17 Ų | 17 | 64 Ų | 64 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -72 | 146.6 | -178.3 | -61.1 | -170.2 | 46.3 | 0 | 0 | 110.9 | W186 K193 I197 E216 V530 | W186-Q195 VanDerWaalsContact NE1-OE1 3.16Å; K193-Q195 PolarHBondContact O-N 3.5Å; Q195-I197 HydrophobicContact CB-CG1 4.33Å; Q195-I197 PolarHBondContact O-N 2.75Å; Q195-E216 WeakPolarHBondContact CB-OE2 3.39Å; Q195-E216 HydrophobicContact CG-CB 4.41Å; Q195-E216 HydrophobicContact CG-CG 4.36Å; Q195-E216 PolarHBondContact N-OE1 2.78Å; Q195-V530 HydrophobicContact CG-CG1 4.15Å; Q195-V530 VanDerWaalsContact NE2-CG2 3.31Å | ||
| 196 | P | 94.3 | Very high | 85.6 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | trans | -79.8 | 60.8 | 177.6 | 34.7 | -36.2 | 0 | 0 | 0 | 111.7 | L182 W186 D198 R199 I200 | L182-P196 HydrophobicContact CD1-CG 4.4Å; W186-P196 HydrophobicContact CB-CG 4.15Å; W186-P196 HydrophobicContact CG-CG 4.29Å; P196-D198 VanDerWaalsContact C-N 3.27Å; P196-D198 PolarHBondContact O-N 2.89Å; P196-D198 VanDerWaalsContact O-N 3.15Å; P196-R199 HydrophobicContact CB-CB 4.22Å; P196-R199 HydrophobicContact CB-CG 4.27Å; P196-R199 WeakPolarHBondContact O-CB 3.47Å; P196-R199 PolarHBondContact O-N 3.01Å; P196-I200 WeakPolarHBondContact O-CG1 3.32Å; P196-I200 PolarHBondContact O-N 2.76Å | ||
| 197 | I | 95.3 | Very high | 85.8 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52 | -42.3 | -173.4 | -50.6 | 177.4 | 0 | 0 | 0 | 112.4 | Q195 R199 I200 R201 A209 E216 M268 W272 | Q195-I197 HydrophobicContact CB-CG1 4.33Å; Q195-I197 PolarHBondContact O-N 2.75Å; I197-R199 VanDerWaalsContact C-N 3.29Å; I197-R199 PolarHBondContact O-N 3.04Å; I197-I200 WeakPolarHBondContact O-CB 3.42Å; I197-I200 PolarHBondContact O-N 3.14Å; I197-R201 WeakPolarHBondContact O-CB 3.33Å; I197-R201 PolarHBondContact O-N 2.99Å; I197-A209 HydrophobicContact CG2-CB 4.06Å; I197-A209 WeakPolarHBondContact CG2-O 3.33Å; I197-E216 WeakPolarHBondContact CD1-OE2 3.46Å; I197-M268 HydrophobicContact CD1-SD 4.09Å; I197-W272 HydrophobicContact CG2-CH2 3.97Å; I197-W272 HydrophobicContact CG2-CZ2 3.63Å |
| 198 | D | 94.8 | Very high | 86.2 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 40% | 0.401 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -30.4 | -179.8 | -66.7 | -43.2 | 0 | 0 | 0 | 112.9 | P196 G202 R271 W272 | P196-D198 VanDerWaalsContact C-N 3.27Å; P196-D198 PolarHBondContact O-N 2.89Å; P196-D198 VanDerWaalsContact O-N 3.15Å; D198-G202 PolarHBondContact O-N 3.41Å; D198-R271 IonicContact OD1-CZ 2.76Å; D198-R271 IonicContact OD1-NE 3.98Å; D198-R271 PolarHBondContact OD1-NE 3.3Å; D198-R271 IonicContact OD1-NH2 3.69Å; D198-R271 PolarHBondContact OD1-NH2 3.25Å; D198-R271 IonicContact OD2-CZ 2.95Å; D198-R271 VanDerWaalsContact OD2-CZ 3.25Å; D198-R271 IonicContact OD2-NE 3.3Å; D198-R271 IonicContact OD2-NH1 3.65Å; D198-R271 IonicContact OD2-NH2 2.74Å; D198-R271 PolarHBondContact OD2-NH2 3.2Å; D198-W272 PolarHBondContact OD1-NE1 3.17Å |
| 199 | R | 95.4 | Very high | 87.5 | Confident | 155 Ų | 155 | 61.4 Ų | 61.4 | 59% | 0.585 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -76.1 | -38.7 | 174.5 | -60.9 | -172.5 | 174.8 | -174.5 | -3.7 | 111.4 | L182 P196 I197 R201 G202 Y203 | L182-R199 HydrophobicContact CD1-CB 3.64Å; P196-R199 HydrophobicContact CB-CB 4.22Å; P196-R199 HydrophobicContact CB-CG 4.27Å; P196-R199 WeakPolarHBondContact O-CB 3.47Å; P196-R199 PolarHBondContact O-N 3.01Å; I197-R199 VanDerWaalsContact C-N 3.29Å; I197-R199 PolarHBondContact O-N 3.04Å; R199-R201 VanDerWaalsContact C-N 3.29Å; R199-R201 PolarHBondContact O-N 3.19Å; R199-G202 PolarHBondContact O-N 3.38Å; R199-Y203 PolarHBondContact O-N 3.37Å; R199-Y203 VanDerWaalsContact O-N 3.09Å |
| 200 | I | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 172.1 | -59.1 | 164.6 | 0 | 0 | 0 | 109.1 | L182 W186 P196 I197 G202 Y203 F204 I208 A209 F212 | L182-I200 HydrophobicContact CD1-CG1 4.26Å; W186-I200 HydrophobicContact CD2-CD1 3.94Å; W186-I200 HydrophobicContact CD2-CG1 3.92Å; W186-I200 HydrophobicContact CE3-CG1 4.16Å; W186-I200 HydrophobicContact CG-CD1 4.42Å; W186-I200 HydrophobicContact CH2-CB 4.43Å; W186-I200 HydrophobicContact CH2-CD1 4.08Å; W186-I200 HydrophobicContact CH2-CG1 3.86Å; W186-I200 HydrophobicContact CH2-CG2 3.76Å; W186-I200 HydrophobicContact CZ2-CB 4.44Å; W186-I200 HydrophobicContact CZ2-CD1 3.3Å; W186-I200 HydrophobicContact CZ2-CG1 3.6Å; W186-I200 HydrophobicContact CZ2-CG2 3.96Å; W186-I200 HydrophobicContact CZ3-CG1 4.15Å; W186-I200 HydrophobicContact CZ3-CG2 4.49Å; P196-I200 WeakPolarHBondContact O-CG1 3.32Å; P196-I200 PolarHBondContact O-N 2.76Å; I197-I200 WeakPolarHBondContact O-CB 3.42Å; I197-I200 PolarHBondContact O-N 3.14Å; I200-G202 PolarHBondContact O-N 3.27Å; I200-Y203 PolarHBondContact O-N 2.95Å; I200-F204 HydrophobicContact CG2-CD2 4.28Å; I200-F204 PolarHBondContact O-N 3.48Å; I200-I208 HydrophobicContact CG2-CG2 4.34Å; I200-A209 HydrophobicContact CG2-CB 4.27Å; I200-F212 HydrophobicContact CD1-CB 4.17Å; I200-F212 HydrophobicContact CD1-CG 4.4Å; I200-F212 HydrophobicContact CG2-CD2 4.18Å |
| 201 | R | 95.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 43 Ų | 43 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 174.4 | -178.1 | -102.2 | 172.1 | -168.7 | -10.4 | 112.1 | E123 I197 R199 Y203 G205 E206 A209 W272 | E123-R201 IonicContact OE1-CZ 3.67Å; E123-R201 IonicContact OE1-NH1 3.78Å; E123-R201 IonicContact OE1-NH2 2.63Å; E123-R201 PolarHBondContact OE1-NH2 2.76Å; I197-R201 WeakPolarHBondContact O-CB 3.33Å; I197-R201 PolarHBondContact O-N 2.99Å; R199-R201 VanDerWaalsContact C-N 3.29Å; R199-R201 PolarHBondContact O-N 3.19Å; R201-Y203 VanDerWaalsContact C-N 3.25Å; R201-Y203 PolarHBondContact O-N 3.26Å; R201-G205 VanDerWaalsContact O-CA 3.26Å; R201-G205 WeakPolarHBondContact O-CA 3.47Å; R201-G205 PolarHBondContact O-N 2.9Å; R201-E206 HydrophobicContact CG-CG 3.85Å; R201-E206 IonicContact CZ-OE1 3.09Å; R201-E206 IonicContact NE-OE1 2.88Å; R201-E206 PolarHBondContact NE-OE1 3.01Å; R201-E206 IonicContact NH2-OE1 2.81Å; R201-E206 PolarHBondContact NH2-OE1 3.27Å; R201-A209 HydrophobicContact CB-CB 3.6Å; R201-A209 HydrophobicContact CG-CB 4.34Å; R201-W272 HydrophobicContact CB-CZ2 4.4Å; R201-W272 HydrophobicContact CG-CD2 3.99Å; R201-W272 HydrophobicContact CG-CE3 4.48Å; R201-W272 HydrophobicContact CG-CG 4.15Å |
| 202 | G | 95.1 | Very high | 92.9 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -32.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | T120 A122 D198 R199 I200 | T120-G202 PolarHBondContact OG1-O 2.94Å; A122-G202 WeakPolarHBondContact CB-O 3.19Å; D198-G202 PolarHBondContact O-N 3.41Å; R199-G202 PolarHBondContact O-N 3.38Å; I200-G202 PolarHBondContact O-N 3.27Å |
| 203 | Y | 96.6 | Very high | 94.2 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -95.2 | -48.6 | -177.5 | -164.7 | -83.7 | 0 | 0 | 0 | 113.8 | A122 H174 D175 A178 L179 L182 R199 I200 R201 R543 | A122-Y203 WeakPolarHBondContact CB-O 3.42Å; H174-Y203 WeakPolarHBondContact CB-OH 3.36Å; H174-Y203 AromaticContact ND1-CE1 3.62Å; H174-Y203 AromaticContact ND1-CZ 3.72Å; H174-Y203 PolarHBondContact ND1-OH 3.32Å; D175-Y203 HydrophobicContact CB-CE2 4.24Å; D175-Y203 PolarHBondContact N-OH 3.19Å; D175-Y203 PolarHBondContact O-OH 2.88Å; A178-Y203 HydrophobicContact CB-CD2 4.18Å; A178-Y203 HydrophobicContact CB-CE2 3.99Å; L179-Y203 HydrophobicContact CB-CE2 4.04Å; L179-Y203 WeakPolarHBondContact CB-OH 3.21Å; L179-Y203 HydrophobicContact CD1-CD1 4.35Å; L179-Y203 HydrophobicContact CD1-CE1 3.81Å; L179-Y203 HydrophobicContact CD1-CE2 4.49Å; L182-Y203 HydrophobicContact CD2-CG 4.15Å; R199-Y203 PolarHBondContact O-N 3.37Å; R199-Y203 VanDerWaalsContact O-N 3.09Å; I200-Y203 PolarHBondContact O-N 2.95Å; R201-Y203 VanDerWaalsContact C-N 3.25Å; R201-Y203 PolarHBondContact O-N 3.26Å; Y203-R543 PolarHBondContact O-NE 3.32Å; Y203-R543 PolarHBondContact O-NH2 2.99Å |
| 204 | F | 96.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -102.1 | -13.9 | -173 | -70.6 | -72.6 | 0 | 0 | 0 | 114.1 | L179 L182 W186 I200 I208 M537 P544 | L179-F204 HydrophobicContact CD1-CE2 4.31Å; L179-F204 HydrophobicContact CD1-CZ 4.02Å; L182-F204 HydrophobicContact CD2-CD2 4.21Å; L182-F204 HydrophobicContact CD2-CE2 3.85Å; W186-F204 HydrophobicContact CH2-CD2 4.3Å; W186-F204 HydrophobicContact CH2-CE2 4.22Å; W186-F204 HydrophobicContact CZ3-CD2 4.14Å; W186-F204 AromaticContact CZ3-CE2 3.7Å; W186-F204 HydrophobicContact CZ3-CE2 3.7Å; I200-F204 HydrophobicContact CG2-CD2 4.28Å; I200-F204 PolarHBondContact O-N 3.48Å; F204-I208 HydrophobicContact CB-CB 4.02Å; F204-I208 HydrophobicContact CB-CD1 3.88Å; F204-I208 HydrophobicContact CB-CG2 3.92Å; F204-I208 HydrophobicContact CD1-CD1 4.44Å; F204-I208 HydrophobicContact CG-CG2 4.39Å; F204-M537 HydrophobicContact CD1-CE 4.39Å; F204-M537 HydrophobicContact CE1-CB 4.31Å; F204-M537 HydrophobicContact CZ-CB 4.12Å; F204-M537 WeakPolarHBondContact CZ-O 3.45Å; F204-P544 HydrophobicContact CD1-CG 4.17Å |
| 205 | G | 95 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | trans | 94 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R201 A209 S546 | R201-G205 VanDerWaalsContact O-CA 3.26Å; R201-G205 WeakPolarHBondContact O-CA 3.47Å; R201-G205 PolarHBondContact O-N 2.9Å; G205-A209 WeakPolarHBondContact O-CB 3.21Å; G205-A209 PolarHBondContact O-N 2.9Å; G205-S546 WeakPolarHBondContact CA-OG 3.48Å | ||
| 206 | E | 94.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -74.7 | -37 | -169.2 | -66.6 | 85.3 | 179.8 | 0 | 0 | 114.3 | R201 I208 A209 L210 W272 T274 | R201-E206 HydrophobicContact CG-CG 3.85Å; R201-E206 IonicContact CZ-OE1 3.09Å; R201-E206 IonicContact NE-OE1 2.88Å; R201-E206 PolarHBondContact NE-OE1 3.01Å; R201-E206 IonicContact NH2-OE1 2.81Å; R201-E206 PolarHBondContact NH2-OE1 3.27Å; E206-I208 VanDerWaalsContact C-N 3.35Å; E206-I208 PolarHBondContact O-N 2.82Å; E206-A209 PolarHBondContact O-N 2.98Å; E206-L210 WeakPolarHBondContact O-CB 3.31Å; E206-L210 WeakPolarHBondContact O-CG 3.46Å; E206-L210 PolarHBondContact O-N 3.05Å; E206-W272 HydrophobicContact CB-CE3 4.17Å; E206-W272 HydrophobicContact CB-CZ3 4.42Å; E206-W272 HydrophobicContact CG-CB 4.38Å; E206-W272 HydrophobicContact CG-CD2 4.35Å; E206-W272 HydrophobicContact CG-CE3 3.83Å; E206-T274 HydrophobicContact CB-CG2 4.2Å; E206-T274 HydrophobicContact CG-CG2 3.53Å |
| 207 | T | 93.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 21.7 Ų | 21.7 | 17% | 0.166 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 179.3 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | L210 Y211 T494 E547 S549 | T207-L210 PolarHBondContact O-N 3.34Å; T207-Y211 PolarHBondContact O-N 3.49Å; T207-T494 HydrophobicContact CG2-CG2 4.04Å; T207-E547 PolarHBondContact N-O 2.92Å; T207-E547 PolarHBondContact OG1-O 3.37Å; T207-S549 WeakPolarHBondContact OG1-CB 3.17Å; T207-S549 PolarHBondContact OG1-OG 3.39Å |
| 208 | I | 95.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.036 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.7 | -40.4 | -179.6 | -67.1 | 156.6 | 0 | 0 | 0 | 110.3 | I200 F204 E206 L210 Y211 F212 Y491 M537 P544 | I200-I208 HydrophobicContact CG2-CG2 4.34Å; F204-I208 HydrophobicContact CB-CB 4.02Å; F204-I208 HydrophobicContact CB-CD1 3.88Å; F204-I208 HydrophobicContact CB-CG2 3.92Å; F204-I208 HydrophobicContact CD1-CD1 4.44Å; F204-I208 HydrophobicContact CG-CG2 4.39Å; E206-I208 VanDerWaalsContact C-N 3.35Å; E206-I208 PolarHBondContact O-N 2.82Å; I208-L210 VanDerWaalsContact C-N 3.3Å; I208-L210 PolarHBondContact O-N 3.02Å; I208-Y211 WeakPolarHBondContact O-CB 3.47Å; I208-Y211 PolarHBondContact O-N 2.74Å; I208-Y211 VanDerWaalsContact O-N 3.14Å; I208-F212 HydrophobicContact CG2-CD2 3.81Å; I208-F212 HydrophobicContact CG2-CE2 3.73Å; I208-F212 WeakPolarHBondContact O-CD2 3.41Å; I208-F212 PolarHBondContact O-N 3.25Å; I208-Y491 HydrophobicContact CG1-CE1 4.38Å; I208-M537 HydrophobicContact CD1-CE 3.7Å; I208-M537 HydrophobicContact CG1-CE 4.19Å; I208-M537 HydrophobicContact CG2-CE 4.23Å; I208-P544 HydrophobicContact CD1-CB 4.01Å; I208-P544 HydrophobicContact CD1-CG 3.17Å |
| 209 | A | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.7 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | I197 I200 R201 G205 E206 G213 W272 | I197-A209 HydrophobicContact CG2-CB 4.06Å; I197-A209 WeakPolarHBondContact CG2-O 3.33Å; I200-A209 HydrophobicContact CG2-CB 4.27Å; R201-A209 HydrophobicContact CB-CB 3.6Å; R201-A209 HydrophobicContact CG-CB 4.34Å; G205-A209 WeakPolarHBondContact O-CB 3.21Å; G205-A209 PolarHBondContact O-N 2.9Å; E206-A209 PolarHBondContact O-N 2.98Å; A209-G213 PolarHBondContact O-N 3.18Å; A209-W272 HydrophobicContact CB-CH2 3.96Å; A209-W272 HydrophobicContact CB-CZ2 4.33Å |
| 210 | L | 96.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 172.4 | -82 | 175.6 | 0 | 0 | 0 | 112.1 | E206 T207 I208 G213 F214 T269 W272 | E206-L210 WeakPolarHBondContact O-CB 3.31Å; E206-L210 WeakPolarHBondContact O-CG 3.46Å; E206-L210 PolarHBondContact O-N 3.05Å; T207-L210 PolarHBondContact O-N 3.34Å; I208-L210 VanDerWaalsContact C-N 3.3Å; I208-L210 PolarHBondContact O-N 3.02Å; L210-G213 PolarHBondContact O-N 2.91Å; L210-F214 WeakPolarHBondContact O-CB 3.4Å; L210-F214 PolarHBondContact O-N 3.28Å; L210-T269 HydrophobicContact CD1-CG2 4.38Å; L210-T269 HydrophobicContact CD2-CG2 4Å; L210-W272 HydrophobicContact CD2-CH2 4.17Å; L210-W272 HydrophobicContact CD2-CZ3 3.75Å; L210-W272 HydrophobicContact CG-CH2 4.38Å; L210-W272 HydrophobicContact CG-CZ3 3.8Å |
| 211 | Y | 96.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.008 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.1 | -55.2 | 175.5 | 166.8 | -104.8 | 0 | 0 | 0 | 111.1 | T207 I208 G213 F214 L215 T494 D497 Y498 L501 D533 | T207-Y211 PolarHBondContact O-N 3.49Å; I208-Y211 WeakPolarHBondContact O-CB 3.47Å; I208-Y211 PolarHBondContact O-N 2.74Å; I208-Y211 VanDerWaalsContact O-N 3.14Å; Y211-G213 VanDerWaalsContact C-N 3.28Å; Y211-G213 PolarHBondContact O-N 2.9Å; Y211-F214 WeakPolarHBondContact O-CA 3.45Å; Y211-F214 WeakPolarHBondContact O-CB 3.32Å; Y211-F214 PolarHBondContact O-N 3.46Å; Y211-L215 HydrophobicContact CE1-CD2 4.33Å; Y211-L215 PolarHBondContact O-N 2.94Å; Y211-T494 HydrophobicContact CG-CG2 4.44Å; Y211-D497 HydrophobicContact CD2-CB 3.96Å; Y211-D497 HydrophobicContact CE1-CB 4.09Å; Y211-D497 HydrophobicContact CE2-CB 3.4Å; Y211-D497 VanDerWaalsContact CE2-CB 3.4Å; Y211-D497 VanDerWaalsContact CZ-CB 3.49Å; Y211-Y498 VanDerWaalsContact CA-OH 3.26Å; Y211-Y498 WeakPolarHBondContact CA-OH 3.27Å; Y211-Y498 HydrophobicContact CD2-CD1 4.1Å; Y211-Y498 HydrophobicContact CD2-CD2 4.41Å; Y211-Y498 AromaticContact CD2-CE1 3.95Å; Y211-Y498 HydrophobicContact CD2-CE1 3.95Å; Y211-Y498 HydrophobicContact CD2-CE2 4.26Å; Y211-Y498 HydrophobicContact CD2-CG 4.32Å; Y211-Y498 PolarHBondContact N-OH 3.03Å; Y211-L501 HydrophobicContact CE2-CD1 3.87Å; Y211-D533 HydrophobicContact CE1-CB 4.35Å; Y211-D533 VanDerWaalsContact CE1-OD2 3.3Å; Y211-D533 WeakPolarHBondContact CE1-OD2 3.26Å; Y211-D533 VanDerWaalsContact CZ-OD2 3.26Å; Y211-D533 PolarHBondContact OH-OD2 3.4Å |
| 212 | F | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 0% | 0.004 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.7 | -35.3 | 178.5 | -78.6 | -77.7 | 0 | 0 | 0 | 112.8 | W186 I200 I208 F214 L215 E216 D533 A534 M537 | W186-F212 HydrophobicContact CH2-CD2 4.02Å; W186-F212 HydrophobicContact CH2-CE1 4.34Å; W186-F212 AromaticContact CH2-CE2 3.61Å; W186-F212 HydrophobicContact CH2-CE2 3.61Å; W186-F212 AromaticContact CH2-CZ 3.79Å; W186-F212 HydrophobicContact CH2-CZ 3.79Å; W186-F212 AromaticContact CZ2-CD1 3.65Å; W186-F212 HydrophobicContact CZ2-CD1 3.65Å; W186-F212 AromaticContact CZ2-CD2 3.57Å; W186-F212 HydrophobicContact CZ2-CD2 3.57Å; W186-F212 AromaticContact CZ2-CE1 3.51Å; W186-F212 HydrophobicContact CZ2-CE1 3.51Å; W186-F212 AromaticContact CZ2-CE2 3.44Å; W186-F212 HydrophobicContact CZ2-CE2 3.44Å; W186-F212 VanDerWaalsContact CZ2-CE2 3.44Å; W186-F212 AromaticContact CZ2-CG 3.67Å; W186-F212 HydrophobicContact CZ2-CG 3.67Å; W186-F212 AromaticContact CZ2-CZ 3.4Å; W186-F212 HydrophobicContact CZ2-CZ 3.4Å; W186-F212 VanDerWaalsContact CZ2-CZ 3.4Å; I200-F212 HydrophobicContact CD1-CB 4.17Å; I200-F212 HydrophobicContact CD1-CG 4.4Å; I200-F212 HydrophobicContact CG2-CD2 4.18Å; I208-F212 HydrophobicContact CG2-CD2 3.81Å; I208-F212 HydrophobicContact CG2-CE2 3.73Å; I208-F212 WeakPolarHBondContact O-CD2 3.41Å; I208-F212 PolarHBondContact O-N 3.25Å; F212-F214 VanDerWaalsContact C-N 3.34Å; F212-L215 HydrophobicContact CD1-CD2 4.33Å; F212-L215 PolarHBondContact O-N 3.12Å; F212-E216 WeakPolarHBondContact O-CB 3.46Å; F212-E216 PolarHBondContact O-N 3.15Å; F212-D533 HydrophobicContact CE1-CB 3.63Å; F212-D533 HydrophobicContact CZ-CB 3.64Å; F212-A534 HydrophobicContact CE1-CB 4.46Å; F212-M537 HydrophobicContact CE2-CG 4.1Å; F212-M537 HydrophobicContact CZ-CG 4.17Å |
| 213 | G | 96.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 12.5 Ų | 12.5 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A209 L210 Y211 Y217 W261 | A209-G213 PolarHBondContact O-N 3.18Å; L210-G213 PolarHBondContact O-N 2.91Å; Y211-G213 VanDerWaalsContact C-N 3.28Å; Y211-G213 PolarHBondContact O-N 2.9Å; G213-Y217 VanDerWaalsContact O-CB 3.24Å; G213-Y217 WeakPolarHBondContact O-CB 3.38Å; G213-Y217 PolarHBondContact O-N 3.23Å; G213-W261 WeakPolarHBondContact O-CZ3 3.43Å |
| 214 | F | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -70.6 | -45.1 | 174.1 | -176.8 | -110.2 | 0 | 0 | 0 | 111.2 | L210 Y211 F212 E216 Y217 F218 W261 Y498 L501 I552 F559 | L210-F214 WeakPolarHBondContact O-CB 3.4Å; L210-F214 PolarHBondContact O-N 3.28Å; Y211-F214 WeakPolarHBondContact O-CA 3.45Å; Y211-F214 WeakPolarHBondContact O-CB 3.32Å; Y211-F214 PolarHBondContact O-N 3.46Å; F212-F214 VanDerWaalsContact C-N 3.34Å; F214-E216 PolarHBondContact O-N 3.04Å; F214-Y217 PolarHBondContact O-N 3.15Å; F214-F218 HydrophobicContact CE1-CB 4.49Å; F214-F218 HydrophobicContact CZ-CD2 4.4Å; F214-F218 WeakPolarHBondContact O-CB 3.29Å; F214-F218 PolarHBondContact O-N 3.49Å; F214-W261 HydrophobicContact CB-CH2 3.55Å; F214-W261 HydrophobicContact CB-CZ2 3.62Å; F214-W261 HydrophobicContact CB-CZ3 4.15Å; F214-W261 AromaticContact CD2-CD2 3.55Å; F214-W261 HydrophobicContact CD2-CD2 3.55Å; F214-W261 AromaticContact CD2-CE2 3.39Å; F214-W261 AromaticContact CD2-CE3 3.95Å; F214-W261 HydrophobicContact CD2-CE3 3.95Å; F214-W261 HydrophobicContact CD2-CG 4.01Å; F214-W261 HydrophobicContact CD2-CH2 4.06Å; F214-W261 AromaticContact CD2-CZ2 3.67Å; F214-W261 HydrophobicContact CD2-CZ2 3.67Å; F214-W261 HydrophobicContact CD2-CZ3 4.17Å; F214-W261 AromaticContact CD2-NE1 3.68Å; F214-W261 HydrophobicContact CE2-CD2 4.13Å; F214-W261 HydrophobicContact CE2-CG 4.09Å; F214-W261 HydrophobicContact CG-CH2 4.31Å; F214-W261 HydrophobicContact CG-CZ2 4.08Å; F214-W261 VanDerWaalsContact N-CH2 3.3Å; F214-Y498 HydrophobicContact CB-CE1 4.09Å; F214-Y498 AromaticContact CD1-CD1 3.94Å; F214-Y498 HydrophobicContact CD1-CD1 3.94Å; F214-Y498 AromaticContact CD1-CE1 3.67Å; F214-Y498 HydrophobicContact CD1-CE1 3.67Å; F214-Y498 HydrophobicContact CE1-CD1 4.35Å; F214-Y498 HydrophobicContact CE1-CE1 4.43Å; F214-Y498 HydrophobicContact CG-CE1 4.08Å; F214-L501 HydrophobicContact CD1-CD1 3.77Å; F214-L501 HydrophobicContact CE1-CB 4.4Å; F214-L501 HydrophobicContact CE1-CD1 4.05Å; F214-I552 HydrophobicContact CE2-CD1 4.3Å; F214-F559 HydrophobicContact CE1-CD2 4.47Å; F214-F559 HydrophobicContact CE1-CE1 4.33Å; F214-F559 AromaticContact CE1-CE2 3.63Å; F214-F559 HydrophobicContact CE1-CE2 3.63Å; F214-F559 AromaticContact CE1-CZ 3.56Å; F214-F559 HydrophobicContact CE1-CZ 3.56Å; F214-F559 HydrophobicContact CZ-CD2 4.01Å; F214-F559 HydrophobicContact CZ-CE1 4.13Å; F214-F559 AromaticContact CZ-CE2 3.6Å; F214-F559 HydrophobicContact CZ-CE2 3.6Å; F214-F559 HydrophobicContact CZ-CG 4.5Å; F214-F559 AromaticContact CZ-CZ 3.68Å; F214-F559 HydrophobicContact CZ-CZ 3.68Å |
| 215 | L | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.3 | -47.3 | 175.5 | 175.5 | 61.9 | 0 | 0 | 0 | 111.5 | Y211 F212 F218 T219 L501 N526 V530 | Y211-L215 HydrophobicContact CE1-CD2 4.33Å; Y211-L215 PolarHBondContact O-N 2.94Å; F212-L215 HydrophobicContact CD1-CD2 4.33Å; F212-L215 PolarHBondContact O-N 3.12Å; L215-F218 PolarHBondContact O-N 2.95Å; L215-T219 WeakPolarHBondContact O-CB 3.43Å; L215-T219 PolarHBondContact O-N 3.04Å; L215-T219 PolarHBondContact O-OG1 3.21Å; L215-L501 HydrophobicContact CB-CD1 4.19Å; L215-L501 HydrophobicContact CD1-CD1 4.01Å; L215-L501 HydrophobicContact CD1-CD2 3.59Å; L215-L501 HydrophobicContact CD1-CG 4.41Å; L215-N526 HydrophobicContact CD1-CB 4.3Å; L215-V530 HydrophobicContact CD2-CB 4.33Å; L215-V530 HydrophobicContact CD2-CG2 3.6Å; L215-V530 HydrophobicContact CG-CG2 3.75Å |
| 216 | E | 94.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 14.3 Ų | 14.3 | 8% | 0.084 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.8 | -52.6 | 175.1 | -177.2 | 173.9 | -166.3 | 0 | 0 | 111.5 | Y194 Q195 I197 F212 F214 F218 T219 F220 | Y194-E216 WeakPolarHBondContact CA-OE1 3.46Å; Y194-E216 VanDerWaalsContact CD1-OE1 3.31Å; Y194-E216 WeakPolarHBondContact CD1-OE1 3.37Å; Q195-E216 WeakPolarHBondContact CB-OE2 3.39Å; Q195-E216 HydrophobicContact CG-CB 4.41Å; Q195-E216 HydrophobicContact CG-CG 4.36Å; Q195-E216 PolarHBondContact N-OE1 2.78Å; I197-E216 WeakPolarHBondContact CD1-OE2 3.46Å; F212-E216 WeakPolarHBondContact O-CB 3.46Å; F212-E216 PolarHBondContact O-N 3.15Å; F214-E216 PolarHBondContact O-N 3.04Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 2.93Å; E216-T219 PolarHBondContact O-N 3.17Å; E216-F220 HydrophobicContact CG-CD2 3.88Å; E216-F220 HydrophobicContact CG-CE2 3.47Å; E216-F220 VanDerWaalsContact CG-CE2 3.47Å; E216-F220 WeakPolarHBondContact O-CD2 3.37Å; E216-F220 PolarHBondContact O-N 2.96Å; E216-F220 VanDerWaalsContact O-N 3.15Å |
| 217 | Y | 96.2 | Very high | 95.5 | Very high | 53 Ų | 53 | 18.4 Ų | 18.4 | 21% | 0.208 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 178.7 | 172.6 | -98.7 | 0 | 0 | 0 | 111.9 | G213 F214 F220 A221 I257 V260 W261 | G213-Y217 VanDerWaalsContact O-CB 3.24Å; G213-Y217 WeakPolarHBondContact O-CB 3.38Å; G213-Y217 PolarHBondContact O-N 3.23Å; F214-Y217 PolarHBondContact O-N 3.15Å; Y217-F220 PolarHBondContact O-N 3.2Å; Y217-A221 HydrophobicContact CE1-CB 4.27Å; Y217-A221 VanDerWaalsContact O-CB 3.26Å; Y217-A221 WeakPolarHBondContact O-CB 3.21Å; Y217-A221 PolarHBondContact O-N 3.21Å; Y217-I257 HydrophobicContact CE1-CB 4.43Å; Y217-I257 VanDerWaalsContact CE1-O 3.28Å; Y217-I257 WeakPolarHBondContact CE1-O 3.29Å; Y217-I257 VanDerWaalsContact CZ-O 3.28Å; Y217-I257 VanDerWaalsContact OH-C 3.26Å; Y217-I257 WeakPolarHBondContact OH-CA 3.43Å; Y217-I257 PolarHBondContact OH-O 2.75Å; Y217-V260 HydrophobicContact CE2-CG1 3.97Å; Y217-V260 WeakPolarHBondContact OH-CB 3.47Å; Y217-V260 WeakPolarHBondContact OH-CG1 3.38Å; Y217-W261 HydrophobicContact CD1-CB 4.04Å; Y217-W261 HydrophobicContact CD1-CD2 4.21Å; Y217-W261 AromaticContact CD1-CE3 3.61Å; Y217-W261 HydrophobicContact CD1-CE3 3.61Å; Y217-W261 HydrophobicContact CD1-CG 4.39Å; Y217-W261 HydrophobicContact CD1-CZ3 4.43Å; Y217-W261 HydrophobicContact CD2-CE3 4.34Å; Y217-W261 HydrophobicContact CE1-CB 3.59Å; Y217-W261 HydrophobicContact CE1-CE3 4.32Å; Y217-W261 HydrophobicContact CE1-CG 4.39Å; Y217-W261 AromaticContact CG-CE3 3.62Å; Y217-W261 HydrophobicContact CG-CE3 3.62Å; Y217-W261 HydrophobicContact CG-CZ3 4.15Å; Y217-W261 PolarHBondContact OH-N 2.88Å |
| 218 | F | 96.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | -177.1 | -171.5 | -115.5 | 0 | 0 | 0 | 111.4 | F214 L215 E216 F220 A221 L222 L501 F505 | F214-F218 HydrophobicContact CE1-CB 4.49Å; F214-F218 HydrophobicContact CZ-CD2 4.4Å; F214-F218 WeakPolarHBondContact O-CB 3.29Å; F214-F218 PolarHBondContact O-N 3.49Å; L215-F218 PolarHBondContact O-N 2.95Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 2.93Å; F218-F220 PolarHBondContact O-N 3.27Å; F218-A221 PolarHBondContact O-N 3.45Å; F218-L222 HydrophobicContact CD1-CD1 4.13Å; F218-L222 HydrophobicContact CE1-CD1 3.58Å; F218-L222 HydrophobicContact CE1-CG 4.23Å; F218-L222 HydrophobicContact CE2-CD1 4.45Å; F218-L222 HydrophobicContact CE2-CD2 4.24Å; F218-L222 HydrophobicContact CE2-CG 4.26Å; F218-L222 HydrophobicContact CZ-CD1 3.73Å; F218-L222 HydrophobicContact CZ-CD2 4.08Å; F218-L222 HydrophobicContact CZ-CG 4.02Å; F218-L222 WeakPolarHBondContact O-CG 3.4Å; F218-L222 PolarHBondContact O-N 3.38Å; F218-L501 HydrophobicContact CD1-CB 4.46Å; F218-L501 HydrophobicContact CD1-CD2 4.3Å; F218-F505 HydrophobicContact CE2-CB 4.15Å; F218-F505 AromaticContact CE2-CD2 3.68Å; F218-F505 HydrophobicContact CE2-CD2 3.68Å; F218-F505 HydrophobicContact CE2-CE2 4.46Å; F218-F505 HydrophobicContact CE2-CG 4.17Å; F218-F505 HydrophobicContact CZ-CB 3.59Å; F218-F505 AromaticContact CZ-CD2 3.78Å; F218-F505 HydrophobicContact CZ-CD2 3.78Å; F218-F505 HydrophobicContact CZ-CG 4.07Å |
| 219 | T | 94.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.1 | -50.3 | 172.6 | -53.7 | 0 | 0 | 0 | 0 | 111 | L215 E216 A221 L222 I223 N526 F527 | L215-T219 WeakPolarHBondContact O-CB 3.43Å; L215-T219 PolarHBondContact O-N 3.04Å; L215-T219 PolarHBondContact O-OG1 3.21Å; E216-T219 PolarHBondContact O-N 3.17Å; T219-A221 PolarHBondContact O-N 2.76Å; T219-L222 PolarHBondContact O-N 3.03Å; T219-I223 PolarHBondContact O-N 3Å; T219-N526 HydrophobicContact CG2-CB 3.92Å; T219-N526 VanDerWaalsContact OG1-CB 3.23Å; T219-N526 WeakPolarHBondContact OG1-CB 3.33Å; T219-F527 HydrophobicContact CG2-CD1 4.46Å; T219-F527 HydrophobicContact CG2-CE1 4.18Å; T219-F527 HydrophobicContact CG2-CZ 4.32Å |
| 220 | F | 94.9 | Very high | 95 | Very high | 57 Ų | 57 | 23.2 Ų | 23.2 | 25% | 0.25 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.2 | -36.7 | 177.5 | -68.9 | -54.3 | 0 | 0 | 0 | 112.9 | L192 Y194 E216 Y217 F218 L222 I223 P224 | L192-F220 HydrophobicContact CD1-CE1 3.75Å; L192-F220 HydrophobicContact CD1-CZ 4.44Å; L192-F220 HydrophobicContact CD2-CE1 3.85Å; L192-F220 HydrophobicContact CG-CE1 3.88Å; L192-F220 HydrophobicContact CG-CZ 4.31Å; Y194-F220 HydrophobicContact CD1-CE2 4.01Å; Y194-F220 HydrophobicContact CD1-CZ 4.29Å; Y194-F220 AromaticContact CE1-CE2 3.89Å; Y194-F220 HydrophobicContact CE1-CE2 3.89Å; Y194-F220 HydrophobicContact CE1-CZ 4.11Å; E216-F220 HydrophobicContact CG-CD2 3.88Å; E216-F220 HydrophobicContact CG-CE2 3.47Å; E216-F220 VanDerWaalsContact CG-CE2 3.47Å; E216-F220 WeakPolarHBondContact O-CD2 3.37Å; E216-F220 PolarHBondContact O-N 2.96Å; E216-F220 VanDerWaalsContact O-N 3.15Å; Y217-F220 PolarHBondContact O-N 3.2Å; F218-F220 PolarHBondContact O-N 3.27Å; F220-L222 VanDerWaalsContact C-N 3.28Å; F220-L222 PolarHBondContact O-N 3.3Å; F220-I223 HydrophobicContact CD1-CD1 3.81Å; F220-I223 PolarHBondContact O-N 3.38Å; F220-P224 WeakPolarHBondContact O-CD 3.32Å |
| 221 | A | 95.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.7 | -29 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y217 F218 T219 P224 W253 I257 | Y217-A221 HydrophobicContact CE1-CB 4.27Å; Y217-A221 VanDerWaalsContact O-CB 3.26Å; Y217-A221 WeakPolarHBondContact O-CB 3.21Å; Y217-A221 PolarHBondContact O-N 3.21Å; F218-A221 PolarHBondContact O-N 3.45Å; T219-A221 PolarHBondContact O-N 2.76Å; A221-P224 WeakPolarHBondContact O-CD 3.45Å; A221-W253 PolarHBondContact O-NE1 3.23Å; A221-I257 HydrophobicContact CB-CB 4.07Å; A221-I257 HydrophobicContact CB-CD1 4.38Å; A221-I257 HydrophobicContact CB-CG2 3.75Å |
| 222 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -81.6 | -17.4 | 176.4 | -69.3 | -177.4 | 0 | 0 | 0 | 113.8 | F218 T219 F220 M225 A226 V508 A522 V523 | F218-L222 HydrophobicContact CD1-CD1 4.13Å; F218-L222 HydrophobicContact CE1-CD1 3.58Å; F218-L222 HydrophobicContact CE1-CG 4.23Å; F218-L222 HydrophobicContact CE2-CD1 4.45Å; F218-L222 HydrophobicContact CE2-CD2 4.24Å; F218-L222 HydrophobicContact CE2-CG 4.26Å; F218-L222 HydrophobicContact CZ-CD1 3.73Å; F218-L222 HydrophobicContact CZ-CD2 4.08Å; F218-L222 HydrophobicContact CZ-CG 4.02Å; F218-L222 WeakPolarHBondContact O-CG 3.4Å; F218-L222 PolarHBondContact O-N 3.38Å; T219-L222 PolarHBondContact O-N 3.03Å; F220-L222 VanDerWaalsContact C-N 3.28Å; F220-L222 PolarHBondContact O-N 3.3Å; L222-M225 HydrophobicContact CD2-SD 3.87Å; L222-M225 WeakPolarHBondContact O-CB 3.41Å; L222-M225 PolarHBondContact O-N 3.28Å; L222-M225 VanDerWaalsContact O-N 3.13Å; L222-A226 PolarHBondContact O-N 3.1Å; L222-V508 HydrophobicContact CD2-CG1 4.14Å; L222-A522 HydrophobicContact CD1-CB 3.78Å; L222-V523 HydrophobicContact CB-CG2 3.54Å |
| 223 | I | 94.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 30.6 Ų | 30.6 | 27% | 0.267 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 179.9 | -67 | 173.8 | 0 | 0 | 0 | 112.1 | T219 F220 M225 A226 V227 V523 | T219-I223 PolarHBondContact O-N 3Å; F220-I223 HydrophobicContact CD1-CD1 3.81Å; F220-I223 PolarHBondContact O-N 3.38Å; I223-M225 VanDerWaalsContact C-N 3.32Å; I223-M225 PolarHBondContact O-N 3.05Å; I223-A226 PolarHBondContact O-N 3.46Å; I223-A226 VanDerWaalsContact O-N 3.13Å; I223-V227 HydrophobicContact CG2-CG2 3.94Å; I223-V227 WeakPolarHBondContact O-CB 3.05Å; I223-V227 VanDerWaalsContact O-CG2 3.31Å; I223-V227 WeakPolarHBondContact O-CG2 3.46Å; I223-V227 PolarHBondContact O-N 3.43Å; I223-V523 HydrophobicContact CG1-CG1 4.17Å; I223-V523 HydrophobicContact CG1-CG2 4.26Å |
| 224 | P | 95.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 175.6 | -29.9 | 39.2 | 0 | 0 | 0 | 113.6 | F220 A221 I228 F249 W253 | F220-P224 WeakPolarHBondContact O-CD 3.32Å; A221-P224 WeakPolarHBondContact O-CD 3.45Å; P224-I228 WeakPolarHBondContact O-CB 3.43Å; P224-I228 WeakPolarHBondContact O-CG1 3.41Å; P224-I228 PolarHBondContact O-N 3.06Å; P224-F249 HydrophobicContact CB-CZ 4.07Å; P224-W253 HydrophobicContact CB-CZ2 4.1Å; P224-W253 HydrophobicContact CG-CH2 4.18Å; P224-W253 HydrophobicContact CG-CZ2 3.61Å |
| 225 | M | 94.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.9 | -64.9 | -173.3 | 176.3 | 0 | 0 | 111.1 | L222 I223 G229 F249 W253 V508 A519 | L222-M225 HydrophobicContact CD2-SD 3.87Å; L222-M225 WeakPolarHBondContact O-CB 3.41Å; L222-M225 PolarHBondContact O-N 3.28Å; L222-M225 VanDerWaalsContact O-N 3.13Å; I223-M225 VanDerWaalsContact C-N 3.32Å; I223-M225 PolarHBondContact O-N 3.05Å; M225-G229 WeakPolarHBondContact O-CA 3.42Å; M225-G229 PolarHBondContact O-N 3.37Å; M225-F249 HydrophobicContact CG-CE1 4.25Å; M225-W253 HydrophobicContact CE-CB 4.45Å; M225-W253 VanDerWaalsContact CE-CD1 3.44Å; M225-W253 HydrophobicContact CE-CG 4.32Å; M225-W253 VanDerWaalsContact CG-CD1 3.5Å; M225-V508 HydrophobicContact SD-CG1 3.71Å; M225-A519 HydrophobicContact CB-CB 3.71Å |
| 226 | A | 94 | Very high | 92.4 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L222 I223 G229 L230 A519 A520 V523 | L222-A226 PolarHBondContact O-N 3.1Å; I223-A226 PolarHBondContact O-N 3.46Å; I223-A226 VanDerWaalsContact O-N 3.13Å; A226-G229 PolarHBondContact O-N 3.42Å; A226-L230 WeakPolarHBondContact O-CB 3.47Å; A226-L230 PolarHBondContact O-N 3.03Å; A226-A519 HydrophobicContact CB-CB 4.11Å; A226-A520 HydrophobicContact CB-CB 4.1Å; A226-V523 HydrophobicContact CB-CG2 4.24Å |
| 227 | V | 94.7 | Very high | 91.8 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 58% | 0.582 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | -178.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | I223 P231 | I223-V227 HydrophobicContact CG2-CG2 3.94Å; I223-V227 WeakPolarHBondContact O-CB 3.05Å; I223-V227 VanDerWaalsContact O-CG2 3.31Å; I223-V227 WeakPolarHBondContact O-CG2 3.46Å; I223-V227 PolarHBondContact O-N 3.43Å; V227-P231 WeakPolarHBondContact O-CD 3.35Å |
| 228 | I | 92.7 | Very high | 90.6 | Very high | 59 Ų | 59 | 50.7 Ų | 50.7 | 30% | 0.303 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -74.8 | -38.5 | 175.5 | -63.5 | 177.1 | 0 | 0 | 0 | 110.6 | P224 L230 P231 Y232 F246 F249 | P224-I228 WeakPolarHBondContact O-CB 3.43Å; P224-I228 WeakPolarHBondContact O-CG1 3.41Å; P224-I228 PolarHBondContact O-N 3.06Å; I228-L230 PolarHBondContact O-N 3.05Å; I228-P231 VanDerWaalsContact O-CD 3.23Å; I228-P231 WeakPolarHBondContact O-CD 3.19Å; I228-P231 VanDerWaalsContact O-CG 3.29Å; I228-P231 WeakPolarHBondContact O-CG 3.47Å; I228-Y232 HydrophobicContact CG2-CD2 4.25Å; I228-Y232 HydrophobicContact CG2-CE2 4.02Å; I228-Y232 WeakPolarHBondContact O-CD2 3.32Å; I228-F246 HydrophobicContact CB-CE2 4.34Å; I228-F246 HydrophobicContact CG2-CD2 3.69Å; I228-F246 HydrophobicContact CG2-CE2 3.83Å; I228-F249 HydrophobicContact CD1-CD1 3.98Å; I228-F249 HydrophobicContact CD1-CD2 4.03Å; I228-F249 HydrophobicContact CD1-CE1 3.67Å; I228-F249 HydrophobicContact CD1-CE2 3.71Å; I228-F249 HydrophobicContact CD1-CG 4.17Å; I228-F249 HydrophobicContact CD1-CZ 3.53Å |
| 229 | G | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.4 | -29.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M225 A226 Y232 Y233 P516 | M225-G229 WeakPolarHBondContact O-CA 3.42Å; M225-G229 PolarHBondContact O-N 3.37Å; A226-G229 PolarHBondContact O-N 3.42Å; G229-Y232 WeakPolarHBondContact O-CB 3.43Å; G229-Y232 PolarHBondContact O-N 3.11Å; G229-Y233 PolarHBondContact O-N 3.37Å; G229-Y233 VanDerWaalsContact O-N 3.09Å; G229-P516 WeakPolarHBondContact O-CB 3.3Å |
| 230 | L | 91.6 | Very high | 88.6 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 40% | 0.398 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -53.2 | -178.6 | -169.9 | 68.6 | 0 | 0 | 0 | 114.2 | A226 I228 Y232 Y233 L234 L517 | A226-L230 WeakPolarHBondContact O-CB 3.47Å; A226-L230 PolarHBondContact O-N 3.03Å; I228-L230 PolarHBondContact O-N 3.05Å; L230-Y232 VanDerWaalsContact C-N 3.28Å; L230-Y232 PolarHBondContact O-N 3.07Å; L230-Y233 PolarHBondContact O-N 3.38Å; L230-L234 HydrophobicContact CD1-CD1 4.17Å; L230-L234 HydrophobicContact CD1-CG 4.38Å; L230-L234 HydrophobicContact CD2-CD1 4.46Å; L230-L234 HydrophobicContact CG-CD1 3.89Å; L230-L234 HydrophobicContact CG-CG 4.43Å; L230-L234 WeakPolarHBondContact O-CG 3.21Å; L230-L234 PolarHBondContact O-N 2.98Å; L230-L517 HydrophobicContact CD1-CD1 3.71Å |
| 231 | P | 90.8 | Very high | 87.7 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 22% | 0.221 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -32.8 | 176.1 | 25.6 | -34.8 | 0 | 0 | 0 | 112.3 | V227 I228 Y233 L234 F235 W237 | V227-P231 WeakPolarHBondContact O-CD 3.35Å; I228-P231 VanDerWaalsContact O-CD 3.23Å; I228-P231 WeakPolarHBondContact O-CD 3.19Å; I228-P231 VanDerWaalsContact O-CG 3.29Å; I228-P231 WeakPolarHBondContact O-CG 3.47Å; P231-Y233 VanDerWaalsContact C-N 3.25Å; P231-Y233 PolarHBondContact O-N 3.05Å; P231-L234 PolarHBondContact O-N 2.86Å; P231-F235 HydrophobicContact CB-CD2 3.84Å; P231-F235 HydrophobicContact CB-CE2 4.05Å; P231-F235 WeakPolarHBondContact O-CB 3.43Å; P231-F235 WeakPolarHBondContact O-CD2 3.42Å; P231-F235 PolarHBondContact O-N 2.73Å; P231-W237 HydrophobicContact CB-CH2 4.37Å; P231-W237 HydrophobicContact CB-CZ3 4.25Å |
| 232 | Y | 88.5 | Confident | 87 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 175.5 | -90.5 | -103.7 | 0 | 0 | 0 | 112.2 | I228 G229 L230 V236 W237 K242 F246 | I228-Y232 HydrophobicContact CG2-CD2 4.25Å; I228-Y232 HydrophobicContact CG2-CE2 4.02Å; I228-Y232 WeakPolarHBondContact O-CD2 3.32Å; G229-Y232 WeakPolarHBondContact O-CB 3.43Å; G229-Y232 PolarHBondContact O-N 3.11Å; L230-Y232 VanDerWaalsContact C-N 3.28Å; L230-Y232 PolarHBondContact O-N 3.07Å; Y232-V236 PolarHBondContact O-N 3.45Å; Y232-W237 HydrophobicContact CD1-CB 4.1Å; Y232-W237 AromaticContact CD2-CE3 3.85Å; Y232-W237 HydrophobicContact CD2-CE3 3.85Å; Y232-W237 HydrophobicContact CD2-CZ3 4.38Å; Y232-W237 HydrophobicContact CE1-CB 4.47Å; Y232-W237 AromaticContact CE2-CE3 3.86Å; Y232-W237 HydrophobicContact CE2-CE3 3.86Å; Y232-W237 HydrophobicContact CE2-CZ3 4.25Å; Y232-W237 HydrophobicContact CG-CB 4.39Å; Y232-W237 HydrophobicContact CG-CE3 4.33Å; Y232-W237 PolarHBondContact O-N 2.73Å; Y232-W237 VanDerWaalsContact O-N 3.11Å; Y232-K242 HydrophobicContact CE1-CB 3.65Å; Y232-K242 VanDerWaalsContact CE1-O 3.25Å; Y232-K242 WeakPolarHBondContact CE1-O 3.46Å; Y232-K242 PolarHBondContact OH-O 3.41Å; Y232-K242 VanDerWaalsContact OH-O 3.05Å; Y232-F246 HydrophobicContact CD1-CB 4.17Å; Y232-F246 HydrophobicContact CD1-CG 4.31Å; Y232-F246 HydrophobicContact CD2-CD2 4.47Å; Y232-F246 HydrophobicContact CE1-CB 3.6Å; Y232-F246 HydrophobicContact CE1-CG 4.19Å; Y232-F246 HydrophobicContact CE2-CB 4.44Å; Y232-F246 HydrophobicContact CE2-CD2 4.39Å |
| 233 | Y | 86.3 | Confident | 86.1 | Confident | 102 Ų | 102 | 63.5 Ų | 63.5 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -77.2 | -48 | 176 | -175.9 | -98.7 | 0 | 0 | 0 | 112.9 | G229 L230 P231 V236 Y515 L517 | G229-Y233 PolarHBondContact O-N 3.37Å; G229-Y233 VanDerWaalsContact O-N 3.09Å; L230-Y233 PolarHBondContact O-N 3.38Å; P231-Y233 VanDerWaalsContact C-N 3.25Å; P231-Y233 PolarHBondContact O-N 3.05Å; Y233-V236 PolarHBondContact O-N 3.19Å; Y233-Y515 HydrophobicContact CE2-CD2 4.36Å; Y233-Y515 HydrophobicContact CE2-CE2 4.07Å; Y233-L517 HydrophobicContact CD1-CD2 3.96Å; Y233-L517 HydrophobicContact CD2-CB 4.39Å; Y233-L517 HydrophobicContact CE1-CD2 3.86Å; Y233-L517 HydrophobicContact CG-CB 4.21Å; Y233-L517 HydrophobicContact CG-CD2 4.45Å |
| 234 | L | 88.8 | Confident | 85.5 | Confident | 110 Ų | 110 | 63.3 Ų | 63.3 | 58% | 0.576 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.7 | -39.2 | -174.3 | -70.3 | 176.2 | 0 | 0 | 0 | 113.6 | L230 P231 | L230-L234 HydrophobicContact CD1-CD1 4.17Å; L230-L234 HydrophobicContact CD1-CG 4.38Å; L230-L234 HydrophobicContact CD2-CD1 4.46Å; L230-L234 HydrophobicContact CG-CD1 3.89Å; L230-L234 HydrophobicContact CG-CG 4.43Å; L230-L234 WeakPolarHBondContact O-CG 3.21Å; L230-L234 PolarHBondContact O-N 2.98Å; P231-L234 PolarHBondContact O-N 2.86Å |
| 235 | F | 88.3 | Confident | 85 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 60% | 0.596 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 3.3 | -180 | -59.8 | -61.1 | 0 | 0 | 0 | 113.1 | P231 W237 | P231-F235 HydrophobicContact CB-CD2 3.84Å; P231-F235 HydrophobicContact CB-CE2 4.05Å; P231-F235 WeakPolarHBondContact O-CB 3.43Å; P231-F235 WeakPolarHBondContact O-CD2 3.42Å; P231-F235 PolarHBondContact O-N 2.73Å; F235-W237 VanDerWaalsContact C-N 3.28Å; F235-W237 HydrophobicContact CB-CD2 4.48Å; F235-W237 HydrophobicContact CB-CG 4.23Å; F235-W237 VanDerWaalsContact CB-NE1 3.33Å; F235-W237 HydrophobicContact CD2-CZ2 4.13Å; F235-W237 PolarHBondContact O-N 2.87Å |
| 236 | V | 82.4 | Confident | 84.7 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 51.7 | 179.5 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | Y232 Y233 E238 | Y232-V236 PolarHBondContact O-N 3.45Å; Y233-V236 PolarHBondContact O-N 3.19Å; V236-E238 HydrophobicContact CG1-CG 3.61Å; V236-E238 PolarHBondContact O-N 2.72Å |
| 237 | W | 82 | Confident | 84.2 | Confident | 104 Ų | 104 | 65.9 Ų | 65.9 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | trans | -75.2 | 68.6 | 178.1 | -76.3 | -1.8 | 0 | 0 | 0 | 110.3 | P231 Y232 F235 D239 K242 | P231-W237 HydrophobicContact CB-CH2 4.37Å; P231-W237 HydrophobicContact CB-CZ3 4.25Å; Y232-W237 HydrophobicContact CD1-CB 4.1Å; Y232-W237 AromaticContact CD2-CE3 3.85Å; Y232-W237 HydrophobicContact CD2-CE3 3.85Å; Y232-W237 HydrophobicContact CD2-CZ3 4.38Å; Y232-W237 HydrophobicContact CE1-CB 4.47Å; Y232-W237 AromaticContact CE2-CE3 3.86Å; Y232-W237 HydrophobicContact CE2-CE3 3.86Å; Y232-W237 HydrophobicContact CE2-CZ3 4.25Å; Y232-W237 HydrophobicContact CG-CB 4.39Å; Y232-W237 HydrophobicContact CG-CE3 4.33Å; Y232-W237 PolarHBondContact O-N 2.73Å; Y232-W237 VanDerWaalsContact O-N 3.11Å; F235-W237 VanDerWaalsContact C-N 3.28Å; F235-W237 HydrophobicContact CB-CD2 4.48Å; F235-W237 HydrophobicContact CB-CG 4.23Å; F235-W237 VanDerWaalsContact CB-NE1 3.33Å; F235-W237 HydrophobicContact CD2-CZ2 4.13Å; F235-W237 PolarHBondContact O-N 2.87Å; W237-D239 VanDerWaalsContact C-N 3.35Å; W237-K242 HydrophobicContact CB-CB 4.42Å; W237-K242 HydrophobicContact CB-CD 3.61Å; W237-K242 HydrophobicContact CD2-CD 4.17Å; W237-K242 HydrophobicContact CG-CD 3.79Å | ||
| 238 | E | 70.6 | Confident | 83.8 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 27% | 0.271 | 31% | 0.31 | S | S | . | . | trans | -95.1 | 12 | -176.5 | -57.2 | -166 | 158.3 | 0 | 0 | 112.7 | V236 Y243 R430 Q579 | V236-E238 HydrophobicContact CG1-CG 3.61Å; V236-E238 PolarHBondContact O-N 2.72Å; E238-Y243 VanDerWaalsContact CA-CE2 3.43Å; E238-Y243 HydrophobicContact CB-CE2 3.68Å; E238-Y243 HydrophobicContact CG-CE2 4.31Å; E238-Y243 WeakPolarHBondContact CG-OH 3.46Å; E238-Y243 WeakPolarHBondContact O-CD2 3.36Å; E238-Y243 WeakPolarHBondContact O-CE2 3.36Å; E238-R430 IonicContact OE1-CZ 2.87Å; E238-R430 VanDerWaalsContact OE1-CZ 3.26Å; E238-R430 IonicContact OE1-NH1 3.26Å; E238-R430 PolarHBondContact OE1-NH1 2.94Å; E238-R430 IonicContact OE1-NH2 2.72Å; E238-R430 PolarHBondContact OE1-NH2 3.45Å; E238-Q579 PolarHBondContact O-NE2 2.97Å | ||
| 239 | D | 76.8 | Confident | 83.8 | Confident | 89 Ų | 89 | 63 Ų | 63 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | trans | -65.6 | 147.1 | 173.5 | -61.2 | -45 | 0 | 0 | 0 | 110.7 | W237 D241 K242 Y243 | W237-D239 VanDerWaalsContact C-N 3.35Å; D239-D241 VanDerWaalsContact C-N 3.32Å; D239-D241 WeakPolarHBondContact CB-OD1 3.5Å; D239-D241 PolarHBondContact O-N 2.99Å; D239-K242 HydrophobicContact CB-CD 4.16Å; D239-K242 HydrophobicContact CB-CG 4.36Å; D239-K242 WeakPolarHBondContact O-CB 3.42Å; D239-K242 PolarHBondContact O-N 3.18Å; D239-K242 WeakPolarHBondContact OD2-CE 3.46Å; D239-K242 IonicContact OD2-NZ 3.88Å; D239-K242 PolarHBondContact OD2-NZ 3.31Å; D239-Y243 PolarHBondContact O-N 3.22Å | ||
| 240 | Y | 71.1 | Confident | 83.7 | Confident | 94 Ų | 94 | 63.1 Ų | 63.1 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.2 | -43.1 | -175.2 | 171 | -116.5 | 0 | 0 | 0 | 113.2 | K242 Y243 V244 I574 V580 I583 | Y240-K242 VanDerWaalsContact C-N 3.27Å; Y240-K242 PolarHBondContact O-N 3.4Å; Y240-Y243 PolarHBondContact O-N 3.09Å; Y240-V244 HydrophobicContact CD2-CG2 3.91Å; Y240-V244 HydrophobicContact CE1-CG2 4.28Å; Y240-V244 HydrophobicContact CE2-CG2 3.34Å; Y240-V244 WeakPolarHBondContact O-CG2 2.84Å; Y240-V244 PolarHBondContact O-N 3.17Å; Y240-V244 VanDerWaalsContact O-N 3.08Å; Y240-I574 HydrophobicContact CE2-CG2 3.93Å; Y240-V580 HydrophobicContact CD2-CG2 3.14Å; Y240-V580 HydrophobicContact CE2-CB 4.46Å; Y240-V580 HydrophobicContact CE2-CG2 3.11Å; Y240-V580 HydrophobicContact CG-CG2 4.14Å; Y240-I583 HydrophobicContact CD1-CD1 3.93Å; Y240-I583 HydrophobicContact CE1-CD1 4Å; Y240-I583 HydrophobicContact CG-CD1 4.42Å |
| 241 | D | 75.6 | Confident | 83.5 | Confident | 83 Ų | 83 | 59.9 Ų | 59.9 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.5 | -43.8 | 176.9 | 61.3 | -32.5 | 0 | 0 | 0 | 111.1 | D239 V244 I245 | D239-D241 VanDerWaalsContact C-N 3.32Å; D239-D241 WeakPolarHBondContact CB-OD1 3.5Å; D239-D241 PolarHBondContact O-N 2.99Å; D241-V244 PolarHBondContact O-N 2.88Å; D241-I245 WeakPolarHBondContact O-CB 2.96Å; D241-I245 WeakPolarHBondContact O-CD1 3.45Å; D241-I245 WeakPolarHBondContact O-CG1 3.21Å; D241-I245 PolarHBondContact O-N 2.9Å |
| 242 | K | 80.7 | Confident | 83.5 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.7 | -43 | -179 | -63.5 | 175.2 | -165.7 | 65.4 | 0 | 110.7 | Y232 W237 D239 Y240 V244 I245 F246 | Y232-K242 HydrophobicContact CE1-CB 3.65Å; Y232-K242 VanDerWaalsContact CE1-O 3.25Å; Y232-K242 WeakPolarHBondContact CE1-O 3.46Å; Y232-K242 PolarHBondContact OH-O 3.41Å; Y232-K242 VanDerWaalsContact OH-O 3.05Å; W237-K242 HydrophobicContact CB-CB 4.42Å; W237-K242 HydrophobicContact CB-CD 3.61Å; W237-K242 HydrophobicContact CD2-CD 4.17Å; W237-K242 HydrophobicContact CG-CD 3.79Å; D239-K242 HydrophobicContact CB-CD 4.16Å; D239-K242 HydrophobicContact CB-CG 4.36Å; D239-K242 WeakPolarHBondContact O-CB 3.42Å; D239-K242 PolarHBondContact O-N 3.18Å; D239-K242 WeakPolarHBondContact OD2-CE 3.46Å; D239-K242 IonicContact OD2-NZ 3.88Å; D239-K242 PolarHBondContact OD2-NZ 3.31Å; Y240-K242 VanDerWaalsContact C-N 3.27Å; Y240-K242 PolarHBondContact O-N 3.4Å; K242-V244 PolarHBondContact O-N 3.41Å; K242-I245 PolarHBondContact O-N 3.28Å; K242-F246 WeakPolarHBondContact O-CB 3.27Å; K242-F246 PolarHBondContact O-N 3.42Å |
| 243 | Y | 77.6 | Confident | 83.8 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 11% | 0.106 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 176.2 | -83 | -50.9 | 0 | 0 | 0 | 113.3 | E238 D239 Y240 I245 F246 A247 R430 C513 | E238-Y243 VanDerWaalsContact CA-CE2 3.43Å; E238-Y243 HydrophobicContact CB-CE2 3.68Å; E238-Y243 HydrophobicContact CG-CE2 4.31Å; E238-Y243 WeakPolarHBondContact CG-OH 3.46Å; E238-Y243 WeakPolarHBondContact O-CD2 3.36Å; E238-Y243 WeakPolarHBondContact O-CE2 3.36Å; D239-Y243 PolarHBondContact O-N 3.22Å; Y240-Y243 PolarHBondContact O-N 3.09Å; Y243-I245 VanDerWaalsContact C-N 3.35Å; Y243-F246 PolarHBondContact O-N 3.34Å; Y243-A247 VanDerWaalsContact O-CB 3.28Å; Y243-A247 WeakPolarHBondContact O-CB 3.46Å; Y243-A247 PolarHBondContact O-N 3.47Å; Y243-R430 PolarHBondContact OH-NH2 3.21Å; Y243-C513 HydrophobicContact CD1-CB 4.46Å; Y243-C513 WeakPolarHBondContact CE1-O 3.32Å |
| 244 | V | 81.1 | Confident | 84.1 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | Y240 D241 K242 S248 I574 | Y240-V244 HydrophobicContact CD2-CG2 3.91Å; Y240-V244 HydrophobicContact CE1-CG2 4.28Å; Y240-V244 HydrophobicContact CE2-CG2 3.34Å; Y240-V244 WeakPolarHBondContact O-CG2 2.84Å; Y240-V244 PolarHBondContact O-N 3.17Å; Y240-V244 VanDerWaalsContact O-N 3.08Å; D241-V244 PolarHBondContact O-N 2.88Å; K242-V244 PolarHBondContact O-N 3.41Å; V244-S248 VanDerWaalsContact O-CB 3.25Å; V244-S248 WeakPolarHBondContact O-CB 3.32Å; V244-S248 PolarHBondContact O-N 3.36Å; V244-S248 PolarHBondContact O-OG 3.41Å; V244-I574 HydrophobicContact CG2-CG2 4.37Å |
| 245 | I | 86.8 | Confident | 84.3 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 52% | 0.523 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 176.8 | -69.5 | 164 | 0 | 0 | 0 | 110.6 | D241 K242 Y243 S248 F249 | D241-I245 WeakPolarHBondContact O-CB 2.96Å; D241-I245 WeakPolarHBondContact O-CD1 3.45Å; D241-I245 WeakPolarHBondContact O-CG1 3.21Å; D241-I245 PolarHBondContact O-N 2.9Å; K242-I245 PolarHBondContact O-N 3.28Å; Y243-I245 VanDerWaalsContact C-N 3.35Å; I245-S248 PolarHBondContact O-N 3.45Å; I245-F249 WeakPolarHBondContact O-CB 3.12Å; I245-F249 PolarHBondContact O-N 3.31Å |
| 246 | F | 87 | Confident | 84.7 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | -179.3 | -174.6 | -121 | 0 | 0 | 0 | 112.6 | I228 Y232 K242 Y243 F249 N250 S512 P516 | I228-F246 HydrophobicContact CB-CE2 4.34Å; I228-F246 HydrophobicContact CG2-CD2 3.69Å; I228-F246 HydrophobicContact CG2-CE2 3.83Å; Y232-F246 HydrophobicContact CD1-CB 4.17Å; Y232-F246 HydrophobicContact CD1-CG 4.31Å; Y232-F246 HydrophobicContact CD2-CD2 4.47Å; Y232-F246 HydrophobicContact CE1-CB 3.6Å; Y232-F246 HydrophobicContact CE1-CG 4.19Å; Y232-F246 HydrophobicContact CE2-CB 4.44Å; Y232-F246 HydrophobicContact CE2-CD2 4.39Å; K242-F246 WeakPolarHBondContact O-CB 3.27Å; K242-F246 PolarHBondContact O-N 3.42Å; Y243-F246 PolarHBondContact O-N 3.34Å; F246-F249 PolarHBondContact O-N 2.94Å; F246-N250 WeakPolarHBondContact CD1-ND2 3.3Å; F246-N250 WeakPolarHBondContact CE1-ND2 3.36Å; F246-N250 WeakPolarHBondContact CE2-ND2 3.48Å; F246-N250 WeakPolarHBondContact CZ-ND2 3.45Å; F246-N250 PolarHBondContact O-N 3.26Å; F246-N250 PolarHBondContact O-ND2 2.97Å; F246-S512 WeakPolarHBondContact CE1-O 3.29Å; F246-P516 HydrophobicContact CD1-CG 4.43Å; F246-P516 HydrophobicContact CE1-CB 3.75Å; F246-P516 HydrophobicContact CE1-CG 3.81Å; F246-P516 HydrophobicContact CZ-CB 3.79Å; F246-P516 HydrophobicContact CZ-CG 4.35Å |
| 247 | A | 84 | Confident | 85.3 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y243 F249 N250 L251 C513 I574 | Y243-A247 VanDerWaalsContact O-CB 3.28Å; Y243-A247 WeakPolarHBondContact O-CB 3.46Å; Y243-A247 PolarHBondContact O-N 3.47Å; A247-F249 VanDerWaalsContact C-N 3.29Å; A247-F249 PolarHBondContact O-N 3.48Å; A247-N250 PolarHBondContact O-N 2.9Å; A247-N250 VanDerWaalsContact O-N 3.14Å; A247-L251 VanDerWaalsContact O-CG 3.24Å; A247-L251 WeakPolarHBondContact O-CG 3.41Å; A247-L251 PolarHBondContact O-N 3.49Å; A247-C513 VanDerWaalsContact CB-SG 3.55Å; A247-I574 HydrophobicContact CB-CD1 3.56Å |
| 248 | S | 86.3 | Confident | 86 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 178.5 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | V244 I245 I252 | V244-S248 VanDerWaalsContact O-CB 3.25Å; V244-S248 WeakPolarHBondContact O-CB 3.32Å; V244-S248 PolarHBondContact O-N 3.36Å; V244-S248 PolarHBondContact O-OG 3.41Å; I245-S248 PolarHBondContact O-N 3.45Å; S248-I252 WeakPolarHBondContact O-CB 3.43Å; S248-I252 VanDerWaalsContact O-CG1 3.29Å; S248-I252 WeakPolarHBondContact O-CG1 3.31Å; S248-I252 PolarHBondContact O-N 2.95Å; S248-I252 VanDerWaalsContact O-N 3.07Å |
| 249 | F | 91.7 | Very high | 87.1 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -52.5 | 173.1 | 168 | -96.7 | 0 | 0 | 0 | 111.6 | P224 M225 I228 I245 F246 A247 L251 I252 W253 | P224-F249 HydrophobicContact CB-CZ 4.07Å; M225-F249 HydrophobicContact CG-CE1 4.25Å; I228-F249 HydrophobicContact CD1-CD1 3.98Å; I228-F249 HydrophobicContact CD1-CD2 4.03Å; I228-F249 HydrophobicContact CD1-CE1 3.67Å; I228-F249 HydrophobicContact CD1-CE2 3.71Å; I228-F249 HydrophobicContact CD1-CG 4.17Å; I228-F249 HydrophobicContact CD1-CZ 3.53Å; I245-F249 WeakPolarHBondContact O-CB 3.12Å; I245-F249 PolarHBondContact O-N 3.31Å; F246-F249 PolarHBondContact O-N 2.94Å; A247-F249 VanDerWaalsContact C-N 3.29Å; A247-F249 PolarHBondContact O-N 3.48Å; F249-L251 VanDerWaalsContact C-N 3.31Å; F249-L251 PolarHBondContact O-N 3.1Å; F249-I252 PolarHBondContact O-N 2.78Å; F249-W253 HydrophobicContact CE1-CB 4.28Å; F249-W253 HydrophobicContact CE1-CG 4.37Å; F249-W253 HydrophobicContact CE2-CB 4.2Å; F249-W253 HydrophobicContact CE2-CG 4.35Å; F249-W253 HydrophobicContact CZ-CB 4.01Å; F249-W253 HydrophobicContact CZ-CD2 4.27Å; F249-W253 AromaticContact CZ-CG 3.88Å; F249-W253 HydrophobicContact CZ-CG 3.88Å; F249-W253 WeakPolarHBondContact O-CB 3.44Å; F249-W253 PolarHBondContact O-N 3.17Å |
| 250 | N | 90.2 | Very high | 88 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | -177.1 | -73.1 | -32.3 | 0 | 0 | 0 | 112.5 | F246 A247 S254 S512 | F246-N250 WeakPolarHBondContact CD1-ND2 3.3Å; F246-N250 WeakPolarHBondContact CE1-ND2 3.36Å; F246-N250 WeakPolarHBondContact CE2-ND2 3.48Å; F246-N250 WeakPolarHBondContact CZ-ND2 3.45Å; F246-N250 PolarHBondContact O-N 3.26Å; F246-N250 PolarHBondContact O-ND2 2.97Å; A247-N250 PolarHBondContact O-N 2.9Å; A247-N250 VanDerWaalsContact O-N 3.14Å; N250-S254 WeakPolarHBondContact O-CB 3.19Å; N250-S254 PolarHBondContact O-N 3.33Å; N250-S254 PolarHBondContact O-OG 3.15Å; N250-S512 VanDerWaalsContact ND2-CB 3.26Å; N250-S512 WeakPolarHBondContact ND2-CB 3.24Å; N250-S512 PolarHBondContact ND2-OG 3.34Å |
| 251 | L | 86.9 | Confident | 89.3 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.5 | -46.5 | 179.7 | -64.2 | 177.3 | 0 | 0 | 0 | 111.9 | A247 F249 S254 T255 V567 L602 | A247-L251 VanDerWaalsContact O-CG 3.24Å; A247-L251 WeakPolarHBondContact O-CG 3.41Å; A247-L251 PolarHBondContact O-N 3.49Å; F249-L251 VanDerWaalsContact C-N 3.31Å; F249-L251 PolarHBondContact O-N 3.1Å; L251-S254 PolarHBondContact O-N 3.07Å; L251-S254 PolarHBondContact O-OG 3.09Å; L251-T255 PolarHBondContact O-N 2.87Å; L251-T255 PolarHBondContact O-OG1 3.07Å; L251-T255 VanDerWaalsContact O-OG1 3.14Å; L251-V567 HydrophobicContact CD1-CB 4.41Å; L251-V567 HydrophobicContact CD1-CG1 4.25Å; L251-V567 HydrophobicContact CD1-CG2 4.17Å; L251-V567 HydrophobicContact CD2-CB 4.22Å; L251-V567 HydrophobicContact CD2-CG2 3.68Å; L251-V567 HydrophobicContact CG-CG2 4.32Å; L251-L602 HydrophobicContact CD1-CD1 3.8Å |
| 252 | I | 91 | Very high | 90.2 | Very high | 71 Ų | 71 | 30.2 Ų | 30.2 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 174.8 | -66.9 | 168.6 | 0 | 0 | 0 | 109.5 | S248 F249 S254 T255 V256 L605 L609 | S248-I252 WeakPolarHBondContact O-CB 3.43Å; S248-I252 VanDerWaalsContact O-CG1 3.29Å; S248-I252 WeakPolarHBondContact O-CG1 3.31Å; S248-I252 PolarHBondContact O-N 2.95Å; S248-I252 VanDerWaalsContact O-N 3.07Å; F249-I252 PolarHBondContact O-N 2.78Å; I252-S254 PolarHBondContact O-N 3.49Å; I252-T255 WeakPolarHBondContact O-CB 3.46Å; I252-T255 PolarHBondContact O-N 2.83Å; I252-T255 VanDerWaalsContact O-N 3.08Å; I252-V256 HydrophobicContact CG2-CG2 4.21Å; I252-V256 WeakPolarHBondContact O-CG2 3.14Å; I252-V256 PolarHBondContact O-N 3.46Å; I252-L605 HydrophobicContact CD1-CD2 4.35Å; I252-L605 HydrophobicContact CG1-CD2 4.38Å; I252-L609 HydrophobicContact CG2-CD1 4.15Å |
| 253 | W | 95.2 | Very high | 91 | Very high | 67 Ų | 67 | 31.6 Ų | 31.6 | 25% | 0.254 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.1 | -43.3 | -178.5 | -173.1 | -117.4 | 0 | 0 | 0 | 111.7 | A221 P224 M225 F249 T255 V256 I257 | A221-W253 PolarHBondContact O-NE1 3.23Å; P224-W253 HydrophobicContact CB-CZ2 4.1Å; P224-W253 HydrophobicContact CG-CH2 4.18Å; P224-W253 HydrophobicContact CG-CZ2 3.61Å; M225-W253 HydrophobicContact CE-CB 4.45Å; M225-W253 VanDerWaalsContact CE-CD1 3.44Å; M225-W253 HydrophobicContact CE-CG 4.32Å; M225-W253 VanDerWaalsContact CG-CD1 3.5Å; F249-W253 HydrophobicContact CE1-CB 4.28Å; F249-W253 HydrophobicContact CE1-CG 4.37Å; F249-W253 HydrophobicContact CE2-CB 4.2Å; F249-W253 HydrophobicContact CE2-CG 4.35Å; F249-W253 HydrophobicContact CZ-CB 4.01Å; F249-W253 HydrophobicContact CZ-CD2 4.27Å; F249-W253 AromaticContact CZ-CG 3.88Å; F249-W253 HydrophobicContact CZ-CG 3.88Å; F249-W253 WeakPolarHBondContact O-CB 3.44Å; F249-W253 PolarHBondContact O-N 3.17Å; W253-T255 PolarHBondContact O-N 2.73Å; W253-T255 VanDerWaalsContact O-N 3.16Å; W253-V256 HydrophobicContact CE3-CB 4.47Å; W253-V256 HydrophobicContact CE3-CG1 4.39Å; W253-V256 HydrophobicContact CZ3-CG1 4.28Å; W253-V256 PolarHBondContact O-N 2.79Å; W253-I257 HydrophobicContact CD2-CG2 3.85Å; W253-I257 HydrophobicContact CE3-CG2 4.48Å; W253-I257 HydrophobicContact CG-CG2 4.23Å; W253-I257 HydrophobicContact CH2-CG2 4.31Å; W253-I257 HydrophobicContact CZ2-CG2 3.64Å; W253-I257 WeakPolarHBondContact O-CG1 3.43Å; W253-I257 WeakPolarHBondContact O-CG2 3.46Å; W253-I257 PolarHBondContact O-N 3.06Å |
| 254 | S | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.8 | -31.2 | 176 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | N250 L251 I252 I257 L258 S563 | N250-S254 WeakPolarHBondContact O-CB 3.19Å; N250-S254 PolarHBondContact O-N 3.33Å; N250-S254 PolarHBondContact O-OG 3.15Å; L251-S254 PolarHBondContact O-N 3.07Å; L251-S254 PolarHBondContact O-OG 3.09Å; I252-S254 PolarHBondContact O-N 3.49Å; S254-I257 VanDerWaalsContact O-CG1 3.3Å; S254-I257 WeakPolarHBondContact O-CG1 3.26Å; S254-L258 VanDerWaalsContact O-CG 3.3Å; S254-L258 WeakPolarHBondContact O-CG 3.48Å; S254-S563 PolarHBondContact OG-OG 3.45Å |
| 255 | T | 92.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -79.9 | -46.4 | 177.2 | -54 | 0 | 0 | 0 | 0 | 110.8 | L251 I252 W253 I257 L258 E259 K606 L609 A610 | L251-T255 PolarHBondContact O-N 2.87Å; L251-T255 PolarHBondContact O-OG1 3.07Å; L251-T255 VanDerWaalsContact O-OG1 3.14Å; I252-T255 WeakPolarHBondContact O-CB 3.46Å; I252-T255 PolarHBondContact O-N 2.83Å; I252-T255 VanDerWaalsContact O-N 3.08Å; W253-T255 PolarHBondContact O-N 2.73Å; W253-T255 VanDerWaalsContact O-N 3.16Å; T255-I257 VanDerWaalsContact C-N 3.29Å; T255-I257 PolarHBondContact O-N 3.43Å; T255-L258 PolarHBondContact O-N 2.86Å; T255-E259 HydrophobicContact CG2-CG 4.5Å; T255-E259 WeakPolarHBondContact O-CG 3.24Å; T255-E259 PolarHBondContact O-N 2.68Å; T255-K606 HydrophobicContact CG2-CG 3.99Å; T255-K606 WeakPolarHBondContact OG1-CE 3.2Å; T255-K606 VanDerWaalsContact OG1-CG 3.23Å; T255-K606 WeakPolarHBondContact OG1-CG 3.17Å; T255-K606 PolarHBondContact OG1-NZ 2.81Å; T255-L609 HydrophobicContact CG2-CB 4.2Å; T255-A610 HydrophobicContact CG2-CB 4.31Å |
| 256 | V | 95.3 | Very high | 93 | Very high | 38 Ų | 38 | 25.2 Ų | 25.2 | 23% | 0.23 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.2 | -43.5 | 177.6 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | I252 W253 L258 E259 V260 | I252-V256 HydrophobicContact CG2-CG2 4.21Å; I252-V256 WeakPolarHBondContact O-CG2 3.14Å; I252-V256 PolarHBondContact O-N 3.46Å; W253-V256 HydrophobicContact CE3-CB 4.47Å; W253-V256 HydrophobicContact CE3-CG1 4.39Å; W253-V256 HydrophobicContact CZ3-CG1 4.28Å; W253-V256 PolarHBondContact O-N 2.79Å; V256-L258 PolarHBondContact O-N 3.03Å; V256-E259 PolarHBondContact O-N 3Å; V256-V260 HydrophobicContact CG1-CG2 4.01Å; V256-V260 VanDerWaalsContact O-CB 3.3Å; V256-V260 WeakPolarHBondContact O-CB 3.48Å; V256-V260 VanDerWaalsContact O-CG2 3.22Å; V256-V260 WeakPolarHBondContact O-CG2 3.49Å; V256-V260 PolarHBondContact O-N 2.94Å |
| 257 | I | 95.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.9 | -35.8 | -178.3 | 67 | 175.5 | 0 | 0 | 0 | 112.2 | Y217 A221 W253 S254 T255 W261 F505 | Y217-I257 HydrophobicContact CE1-CB 4.43Å; Y217-I257 VanDerWaalsContact CE1-O 3.28Å; Y217-I257 WeakPolarHBondContact CE1-O 3.29Å; Y217-I257 VanDerWaalsContact CZ-O 3.28Å; Y217-I257 VanDerWaalsContact OH-C 3.26Å; Y217-I257 WeakPolarHBondContact OH-CA 3.43Å; Y217-I257 PolarHBondContact OH-O 2.75Å; A221-I257 HydrophobicContact CB-CB 4.07Å; A221-I257 HydrophobicContact CB-CD1 4.38Å; A221-I257 HydrophobicContact CB-CG2 3.75Å; W253-I257 HydrophobicContact CD2-CG2 3.85Å; W253-I257 HydrophobicContact CE3-CG2 4.48Å; W253-I257 HydrophobicContact CG-CG2 4.23Å; W253-I257 HydrophobicContact CH2-CG2 4.31Å; W253-I257 HydrophobicContact CZ2-CG2 3.64Å; W253-I257 WeakPolarHBondContact O-CG1 3.43Å; W253-I257 WeakPolarHBondContact O-CG2 3.46Å; W253-I257 PolarHBondContact O-N 3.06Å; S254-I257 VanDerWaalsContact O-CG1 3.3Å; S254-I257 WeakPolarHBondContact O-CG1 3.26Å; T255-I257 VanDerWaalsContact C-N 3.29Å; T255-I257 PolarHBondContact O-N 3.43Å; I257-W261 WeakPolarHBondContact O-CB 3.43Å; I257-W261 PolarHBondContact O-N 2.86Å; I257-F505 HydrophobicContact CD1-CE2 4.05Å |
| 258 | L | 95.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.6 | -34.9 | 179.1 | -64.7 | 176.3 | 0 | 0 | 0 | 111.7 | S254 T255 V256 K262 Q556 F559 E560 | S254-L258 VanDerWaalsContact O-CG 3.3Å; S254-L258 WeakPolarHBondContact O-CG 3.48Å; T255-L258 PolarHBondContact O-N 2.86Å; V256-L258 PolarHBondContact O-N 3.03Å; L258-K262 PolarHBondContact O-N 3.23Å; L258-Q556 PolarHBondContact O-NE2 3.02Å; L258-F559 HydrophobicContact CD1-CB 4.11Å; L258-F559 HydrophobicContact CD2-CB 3.62Å; L258-F559 HydrophobicContact CD2-CG 4.24Å; L258-E560 HydrophobicContact CD1-CG 4.04Å |
| 259 | E | 94.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.1 | -42.5 | 175.5 | -68.3 | -55.4 | 143.6 | 0 | 0 | 112.8 | T255 V256 W261 K262 R263 A610 I613 | T255-E259 HydrophobicContact CG2-CG 4.5Å; T255-E259 WeakPolarHBondContact O-CG 3.24Å; T255-E259 PolarHBondContact O-N 2.68Å; V256-E259 PolarHBondContact O-N 3Å; E259-W261 VanDerWaalsContact C-N 3.28Å; E259-W261 PolarHBondContact O-N 2.92Å; E259-K262 PolarHBondContact O-N 3.21Å; E259-K262 VanDerWaalsContact OE1-CE 3.31Å; E259-K262 WeakPolarHBondContact OE1-CE 3.44Å; E259-K262 IonicContact OE1-NZ 2.78Å; E259-K262 PolarHBondContact OE1-NZ 3.08Å; E259-K262 WeakPolarHBondContact OE2-CE 3.47Å; E259-K262 IonicContact OE2-NZ 3.35Å; E259-K262 PolarHBondContact OE2-NZ 2.88Å; E259-R263 WeakPolarHBondContact O-CG 2.89Å; E259-R263 PolarHBondContact O-N 3.47Å; E259-A610 HydrophobicContact CG-CB 4.46Å; E259-A610 WeakPolarHBondContact OE1-CB 3.17Å; E259-I613 HydrophobicContact CB-CB 4.14Å; E259-I613 HydrophobicContact CB-CD1 4.04Å; E259-I613 HydrophobicContact CB-CG2 3.88Å; E259-I613 HydrophobicContact CG-CB 4.37Å; E259-I613 HydrophobicContact CG-CD1 4.3Å |
| 260 | V | 96.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 25.4 Ų | 25.4 | 38% | 0.376 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.4 | -33.3 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | Y217 V256 R263 G264 | Y217-V260 HydrophobicContact CE2-CG1 3.97Å; Y217-V260 WeakPolarHBondContact OH-CB 3.47Å; Y217-V260 WeakPolarHBondContact OH-CG1 3.38Å; V256-V260 HydrophobicContact CG1-CG2 4.01Å; V256-V260 VanDerWaalsContact O-CB 3.3Å; V256-V260 WeakPolarHBondContact O-CB 3.48Å; V256-V260 VanDerWaalsContact O-CG2 3.22Å; V256-V260 WeakPolarHBondContact O-CG2 3.49Å; V256-V260 PolarHBondContact O-N 2.94Å; V260-R263 WeakPolarHBondContact O-CB 3.25Å; V260-R263 PolarHBondContact O-N 3.49Å; V260-G264 PolarHBondContact O-N 2.94Å |
| 261 | W | 96.9 | Very high | 95 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 171.6 | 172.9 | -116.4 | 0 | 0 | 0 | 112.1 | G213 F214 Y217 I257 E259 R263 G264 C265 M268 I552 | G213-W261 WeakPolarHBondContact O-CZ3 3.43Å; F214-W261 HydrophobicContact CB-CH2 3.55Å; F214-W261 HydrophobicContact CB-CZ2 3.62Å; F214-W261 HydrophobicContact CB-CZ3 4.15Å; F214-W261 AromaticContact CD2-CD2 3.55Å; F214-W261 HydrophobicContact CD2-CD2 3.55Å; F214-W261 AromaticContact CD2-CE2 3.39Å; F214-W261 AromaticContact CD2-CE3 3.95Å; F214-W261 HydrophobicContact CD2-CE3 3.95Å; F214-W261 HydrophobicContact CD2-CG 4.01Å; F214-W261 HydrophobicContact CD2-CH2 4.06Å; F214-W261 AromaticContact CD2-CZ2 3.67Å; F214-W261 HydrophobicContact CD2-CZ2 3.67Å; F214-W261 HydrophobicContact CD2-CZ3 4.17Å; F214-W261 AromaticContact CD2-NE1 3.68Å; F214-W261 HydrophobicContact CE2-CD2 4.13Å; F214-W261 HydrophobicContact CE2-CG 4.09Å; F214-W261 HydrophobicContact CG-CH2 4.31Å; F214-W261 HydrophobicContact CG-CZ2 4.08Å; F214-W261 VanDerWaalsContact N-CH2 3.3Å; Y217-W261 HydrophobicContact CD1-CB 4.04Å; Y217-W261 HydrophobicContact CD1-CD2 4.21Å; Y217-W261 AromaticContact CD1-CE3 3.61Å; Y217-W261 HydrophobicContact CD1-CE3 3.61Å; Y217-W261 HydrophobicContact CD1-CG 4.39Å; Y217-W261 HydrophobicContact CD1-CZ3 4.43Å; Y217-W261 HydrophobicContact CD2-CE3 4.34Å; Y217-W261 HydrophobicContact CE1-CB 3.59Å; Y217-W261 HydrophobicContact CE1-CE3 4.32Å; Y217-W261 HydrophobicContact CE1-CG 4.39Å; Y217-W261 AromaticContact CG-CE3 3.62Å; Y217-W261 HydrophobicContact CG-CE3 3.62Å; Y217-W261 HydrophobicContact CG-CZ3 4.15Å; Y217-W261 PolarHBondContact OH-N 2.88Å; I257-W261 WeakPolarHBondContact O-CB 3.43Å; I257-W261 PolarHBondContact O-N 2.86Å; E259-W261 VanDerWaalsContact C-N 3.28Å; E259-W261 PolarHBondContact O-N 2.92Å; W261-R263 PolarHBondContact O-N 3.45Å; W261-G264 PolarHBondContact O-N 3.46Å; W261-G264 VanDerWaalsContact O-N 3.11Å; W261-C265 HydrophobicContact CD2-CB 4.41Å; W261-C265 HydrophobicContact CZ2-CB 4.15Å; W261-C265 VanDerWaalsContact O-CB 3.25Å; W261-C265 WeakPolarHBondContact O-CB 3.33Å; W261-C265 PolarHBondContact O-N 2.9Å; W261-M268 HydrophobicContact CH2-CE 3.7Å; W261-M268 HydrophobicContact CZ3-CE 3.7Å; W261-I552 HydrophobicContact CZ2-CG2 3.57Å |
| 262 | K | 95.9 | Very high | 95.4 | Very high | 42 Ų | 42 | 31.3 Ų | 31.3 | 18% | 0.183 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.7 | -41.3 | 177.3 | -74.8 | -174.7 | -72 | 174.1 | 0 | 111.4 | L258 E259 A266 Q556 E560 D615 | L258-K262 PolarHBondContact O-N 3.23Å; E259-K262 PolarHBondContact O-N 3.21Å; E259-K262 VanDerWaalsContact OE1-CE 3.31Å; E259-K262 WeakPolarHBondContact OE1-CE 3.44Å; E259-K262 IonicContact OE1-NZ 2.78Å; E259-K262 PolarHBondContact OE1-NZ 3.08Å; E259-K262 WeakPolarHBondContact OE2-CE 3.47Å; E259-K262 IonicContact OE2-NZ 3.35Å; E259-K262 PolarHBondContact OE2-NZ 2.88Å; K262-A266 WeakPolarHBondContact O-CB 3.44Å; K262-A266 PolarHBondContact O-N 3.41Å; K262-Q556 HydrophobicContact CD-CG 4.3Å; K262-Q556 HydrophobicContact CG-CG 4.42Å; K262-E560 IonicContact NZ-OE1 3.03Å; K262-D615 CarbonylContact C-O 3.43Å; K262-D615 VanDerWaalsContact C-O 3.3Å; K262-D615 VanDerWaalsContact CE-OD1 3.25Å; K262-D615 WeakPolarHBondContact CE-OD1 3.26Å; K262-D615 IonicContact NZ-OD1 3.87Å; K262-D615 PolarHBondContact NZ-OD1 3.45Å |
| 263 | R | 96.6 | Very high | 95.5 | Very high | 73 Ų | 73 | 27.9 Ų | 27.9 | 28% | 0.275 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 177.4 | -66.2 | 170.8 | 65.9 | 89.3 | -6.9 | 113 | E259 V260 W261 A266 N267 P614 D615 P617 | E259-R263 WeakPolarHBondContact O-CG 2.89Å; E259-R263 PolarHBondContact O-N 3.47Å; V260-R263 WeakPolarHBondContact O-CB 3.25Å; V260-R263 PolarHBondContact O-N 3.49Å; W261-R263 PolarHBondContact O-N 3.45Å; R263-A266 PolarHBondContact O-N 2.86Å; R263-N267 PolarHBondContact O-N 2.93Å; R263-P614 WeakPolarHBondContact CD-O 3.18Å; R263-P614 VanDerWaalsContact CG-O 3.24Å; R263-P614 WeakPolarHBondContact CG-O 3.32Å; R263-P614 PolarHBondContact NH1-O 2.69Å; R263-D615 VanDerWaalsContact CA-O 3.26Å; R263-D615 WeakPolarHBondContact CA-O 3.3Å; R263-D615 WeakPolarHBondContact CG-O 3.41Å; R263-D615 PolarHBondContact N-O 2.86Å; R263-P617 HydrophobicContact CB-CG 4.16Å; R263-P617 WeakPolarHBondContact O-CG 3.47Å |
| 264 | G | 96 | Very high | 95.4 | Very high | 30 Ų | 30 | 25 Ų | 25 | 31% | 0.309 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V260 W261 A266 N267 M268 | V260-G264 PolarHBondContact O-N 2.94Å; W261-G264 PolarHBondContact O-N 3.46Å; W261-G264 VanDerWaalsContact O-N 3.11Å; G264-A266 PolarHBondContact O-N 3.2Å; G264-N267 WeakPolarHBondContact O-CB 3.39Å; G264-N267 PolarHBondContact O-N 3.06Å; G264-N267 VanDerWaalsContact O-N 3.14Å; G264-M268 WeakPolarHBondContact O-CG 3.31Å; G264-M268 PolarHBondContact O-N 3.42Å |
| 265 | C | 96.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | W261 N267 M268 T269 | W261-C265 HydrophobicContact CD2-CB 4.41Å; W261-C265 HydrophobicContact CZ2-CB 4.15Å; W261-C265 VanDerWaalsContact O-CB 3.25Å; W261-C265 WeakPolarHBondContact O-CB 3.33Å; W261-C265 PolarHBondContact O-N 2.9Å; C265-N267 VanDerWaalsContact C-N 3.3Å; C265-N267 PolarHBondContact O-N 3.01Å; C265-M268 PolarHBondContact O-N 2.78Å; C265-T269 WeakPolarHBondContact O-CB 3.4Å; C265-T269 WeakPolarHBondContact O-CG2 3.25Å; C265-T269 PolarHBondContact O-N 3.18Å; C265-T269 PolarHBondContact O-OG1 3.32Å |
| 266 | A | 95.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 5% | 0.05 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K262 R263 G264 T269 Y270 K616 | K262-A266 WeakPolarHBondContact O-CB 3.44Å; K262-A266 PolarHBondContact O-N 3.41Å; R263-A266 PolarHBondContact O-N 2.86Å; G264-A266 PolarHBondContact O-N 3.2Å; A266-T269 PolarHBondContact O-OG1 2.85Å; A266-Y270 WeakPolarHBondContact O-CB 3.37Å; A266-Y270 PolarHBondContact O-N 3.04Å; A266-K616 HydrophobicContact CB-CG 4.21Å |
| 267 | N | 96.3 | Very high | 94.9 | Very high | 66 Ų | 66 | 28 Ų | 28 | 35% | 0.353 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -68.1 | -47.2 | 175.8 | -172.8 | 32.6 | 0 | 0 | 0 | 111.7 | R263 G264 C265 Y270 R271 | R263-N267 PolarHBondContact O-N 2.93Å; G264-N267 WeakPolarHBondContact O-CB 3.39Å; G264-N267 PolarHBondContact O-N 3.06Å; G264-N267 VanDerWaalsContact O-N 3.14Å; C265-N267 VanDerWaalsContact C-N 3.3Å; C265-N267 PolarHBondContact O-N 3.01Å; N267-Y270 PolarHBondContact O-N 3.31Å; N267-R271 WeakPolarHBondContact O-CB 3.4Å; N267-R271 PolarHBondContact O-N 3.24Å |
| 268 | M | 96.5 | Very high | 93.9 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 178.5 | -69.2 | -173.5 | -71.1 | 0 | 0 | 111.9 | I197 W261 G264 C265 Y270 R271 W272 | I197-M268 HydrophobicContact CD1-SD 4.09Å; W261-M268 HydrophobicContact CH2-CE 3.7Å; W261-M268 HydrophobicContact CZ3-CE 3.7Å; G264-M268 WeakPolarHBondContact O-CG 3.31Å; G264-M268 PolarHBondContact O-N 3.42Å; C265-M268 PolarHBondContact O-N 2.78Å; M268-Y270 VanDerWaalsContact C-N 3.33Å; M268-Y270 PolarHBondContact O-N 3.4Å; M268-R271 WeakPolarHBondContact O-CB 3.16Å; M268-R271 PolarHBondContact O-N 3.26Å; M268-R271 VanDerWaalsContact O-N 3.11Å; M268-W272 HydrophobicContact CB-CH2 4.09Å; M268-W272 HydrophobicContact CB-CZ2 4.08Å; M268-W272 HydrophobicContact CB-CZ3 4.36Å; M268-W272 VanDerWaalsContact O-CG 3.28Å; M268-W272 PolarHBondContact O-N 2.96Å; M268-W272 HydrophobicContact SD-CH2 4.45Å |
| 269 | T | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.2 | -26.6 | -178 | 55.7 | 0 | 0 | 0 | 0 | 113 | L210 C265 A266 W272 G273 T274 L275 | L210-T269 HydrophobicContact CD1-CG2 4.38Å; L210-T269 HydrophobicContact CD2-CG2 4Å; C265-T269 WeakPolarHBondContact O-CB 3.4Å; C265-T269 WeakPolarHBondContact O-CG2 3.25Å; C265-T269 PolarHBondContact O-N 3.18Å; C265-T269 PolarHBondContact O-OG1 3.32Å; A266-T269 PolarHBondContact O-OG1 2.85Å; T269-W272 HydrophobicContact CG2-CE3 4.3Å; T269-W272 HydrophobicContact CG2-CZ3 4.37Å; T269-G273 CarbonylContact O-C 3.56Å; T269-G273 PolarHBondContact O-N 2.84Å; T269-G273 VanDerWaalsContact O-N 3.07Å; T269-T274 PolarHBondContact O-N 2.8Å; T269-T274 VanDerWaalsContact O-N 3.11Å; T269-L275 PolarHBondContact O-N 2.97Å |
| 270 | Y | 95.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.6 | -45.7 | 166.8 | -177.8 | -87.8 | 0 | 0 | 0 | 111.2 | M97 A266 N267 M268 W272 G273 L275 L276 I620 K623 L624 | M97-Y270 HydrophobicContact CG-CE1 3.83Å; A266-Y270 WeakPolarHBondContact O-CB 3.37Å; A266-Y270 PolarHBondContact O-N 3.04Å; N267-Y270 PolarHBondContact O-N 3.31Å; M268-Y270 VanDerWaalsContact C-N 3.33Å; M268-Y270 PolarHBondContact O-N 3.4Å; Y270-W272 VanDerWaalsContact C-N 3.27Å; Y270-W272 PolarHBondContact O-N 2.92Å; Y270-G273 PolarHBondContact O-N 3.45Å; Y270-L275 HydrophobicContact CD2-CD2 4.39Å; Y270-L276 HydrophobicContact CD2-CD1 4.36Å; Y270-L276 HydrophobicContact CD2-CG 4.48Å; Y270-L276 HydrophobicContact CE2-CD1 3.92Å; Y270-L276 HydrophobicContact CE2-CG 4.41Å; Y270-I620 HydrophobicContact CD1-CD1 3.71Å; Y270-I620 HydrophobicContact CD2-CD1 4.34Å; Y270-I620 HydrophobicContact CD2-CG2 4.07Å; Y270-I620 HydrophobicContact CE1-CD1 4.48Å; Y270-I620 HydrophobicContact CG-CD1 3.67Å; Y270-I620 HydrophobicContact CG-CG2 4.27Å; Y270-K623 HydrophobicContact CE1-CD 3.59Å; Y270-K623 HydrophobicContact CE2-CB 3.95Å; Y270-K623 HydrophobicContact CE2-CD 4.37Å; Y270-K623 WeakPolarHBondContact OH-CD 3.26Å; Y270-L624 HydrophobicContact CD2-CD2 4.25Å; Y270-L624 HydrophobicContact CE2-CD2 4.3Å |
| 271 | R | 95.3 | Very high | 89.4 | Confident | 124 Ų | 124 | 51.3 Ų | 51.3 | 47% | 0.468 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -36.1 | 178.1 | -174.2 | 173.7 | 69.7 | -159.8 | 0.2 | 112.1 | M97 D198 N267 M268 | M97-R271 WeakPolarHBondContact CE-O 3.39Å; D198-R271 IonicContact OD1-CZ 2.76Å; D198-R271 IonicContact OD1-NE 3.98Å; D198-R271 PolarHBondContact OD1-NE 3.3Å; D198-R271 IonicContact OD1-NH2 3.69Å; D198-R271 PolarHBondContact OD1-NH2 3.25Å; D198-R271 IonicContact OD2-CZ 2.95Å; D198-R271 VanDerWaalsContact OD2-CZ 3.25Å; D198-R271 IonicContact OD2-NE 3.3Å; D198-R271 IonicContact OD2-NH1 3.65Å; D198-R271 IonicContact OD2-NH2 2.74Å; D198-R271 PolarHBondContact OD2-NH2 3.2Å; N267-R271 WeakPolarHBondContact O-CB 3.4Å; N267-R271 PolarHBondContact O-N 3.24Å; M268-R271 WeakPolarHBondContact O-CB 3.16Å; M268-R271 PolarHBondContact O-N 3.26Å; M268-R271 VanDerWaalsContact O-N 3.11Å |
| 272 | W | 95.2 | Very high | 87.9 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.038 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -81.2 | -14.3 | 175 | -55.7 | -26.8 | 0 | 0 | 0 | 113.9 | I197 D198 R201 E206 A209 L210 M268 T269 Y270 T274 | I197-W272 HydrophobicContact CG2-CH2 3.97Å; I197-W272 HydrophobicContact CG2-CZ2 3.63Å; D198-W272 PolarHBondContact OD1-NE1 3.17Å; R201-W272 HydrophobicContact CB-CZ2 4.4Å; R201-W272 HydrophobicContact CG-CD2 3.99Å; R201-W272 HydrophobicContact CG-CE3 4.48Å; R201-W272 HydrophobicContact CG-CG 4.15Å; E206-W272 HydrophobicContact CB-CE3 4.17Å; E206-W272 HydrophobicContact CB-CZ3 4.42Å; E206-W272 HydrophobicContact CG-CB 4.38Å; E206-W272 HydrophobicContact CG-CD2 4.35Å; E206-W272 HydrophobicContact CG-CE3 3.83Å; A209-W272 HydrophobicContact CB-CH2 3.96Å; A209-W272 HydrophobicContact CB-CZ2 4.33Å; L210-W272 HydrophobicContact CD2-CH2 4.17Å; L210-W272 HydrophobicContact CD2-CZ3 3.75Å; L210-W272 HydrophobicContact CG-CH2 4.38Å; L210-W272 HydrophobicContact CG-CZ3 3.8Å; M268-W272 HydrophobicContact CB-CH2 4.09Å; M268-W272 HydrophobicContact CB-CZ2 4.08Å; M268-W272 HydrophobicContact CB-CZ3 4.36Å; M268-W272 VanDerWaalsContact O-CG 3.28Å; M268-W272 PolarHBondContact O-N 2.96Å; M268-W272 HydrophobicContact SD-CH2 4.45Å; T269-W272 HydrophobicContact CG2-CE3 4.3Å; T269-W272 HydrophobicContact CG2-CZ3 4.37Å; Y270-W272 VanDerWaalsContact C-N 3.27Å; Y270-W272 PolarHBondContact O-N 2.92Å; W272-T274 VanDerWaalsContact C-N 3.3Å; W272-T274 PolarHBondContact O-N 3.38Å |
| 273 | G | 93.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 85.4 | -11 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V89 M97 T269 Y270 L275 L276 M277 | V89-G273 WeakPolarHBondContact CB-O 3.34Å; M97-G273 VanDerWaalsContact CE-CA 3.44Å; T269-G273 CarbonylContact O-C 3.56Å; T269-G273 PolarHBondContact O-N 2.84Å; T269-G273 VanDerWaalsContact O-N 3.07Å; Y270-G273 PolarHBondContact O-N 3.45Å; G273-L275 VanDerWaalsContact C-N 3.25Å; G273-L275 PolarHBondContact O-N 3.14Å; G273-L276 PolarHBondContact O-N 3.32Å; G273-M277 PolarHBondContact O-N 3.34Å |
| 274 | T | 92.9 | Very high | 85.9 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.7 | -178.8 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | E206 T269 W272 L276 M277 P548 S549 | E206-T274 HydrophobicContact CB-CG2 4.2Å; E206-T274 HydrophobicContact CG-CG2 3.53Å; T269-T274 PolarHBondContact O-N 2.8Å; T269-T274 VanDerWaalsContact O-N 3.11Å; W272-T274 VanDerWaalsContact C-N 3.3Å; W272-T274 PolarHBondContact O-N 3.38Å; T274-L276 PolarHBondContact O-N 3.01Å; T274-M277 HydrophobicContact CG2-SD 4.1Å; T274-M277 PolarHBondContact O-N 3.11Å; T274-P548 HydrophobicContact CG2-CB 3.98Å; T274-S549 WeakPolarHBondContact CB-O 3.5Å; T274-S549 PolarHBondContact OG1-O 3.48Å |
| 275 | L | 92.6 | Very high | 85.2 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 19% | 0.194 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.8 | 172.4 | -176.9 | 62.1 | 0 | 0 | 0 | 112.5 | T269 Y270 G273 I620 L624 | T269-L275 PolarHBondContact O-N 2.97Å; Y270-L275 HydrophobicContact CD2-CD2 4.39Å; G273-L275 VanDerWaalsContact C-N 3.25Å; G273-L275 PolarHBondContact O-N 3.14Å; L275-I620 HydrophobicContact CD2-CG2 4.06Å; L275-L624 HydrophobicContact CD2-CD1 4.32Å; L275-L624 HydrophobicContact CD2-CD2 4.49Å |
| 276 | L | 91.6 | Very high | 84 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 18% | 0.183 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -15.3 | -178.1 | -70.5 | 175.7 | 0 | 0 | 0 | 113 | V89 M97 Y270 G273 T274 K278 L624 L627 | V89-L276 HydrophobicContact CG1-CB 4.1Å; V89-L276 HydrophobicContact CG1-CD1 4.12Å; V89-L276 HydrophobicContact CG2-CB 4.13Å; M97-L276 HydrophobicContact CB-CD1 3.38Å; M97-L276 HydrophobicContact CG-CD1 4.42Å; Y270-L276 HydrophobicContact CD2-CD1 4.36Å; Y270-L276 HydrophobicContact CD2-CG 4.48Å; Y270-L276 HydrophobicContact CE2-CD1 3.92Å; Y270-L276 HydrophobicContact CE2-CG 4.41Å; G273-L276 PolarHBondContact O-N 3.32Å; T274-L276 PolarHBondContact O-N 3.01Å; L276-K278 PolarHBondContact O-N 3.46Å; L276-K278 VanDerWaalsContact O-N 3.11Å; L276-L624 HydrophobicContact CD2-CD2 3.28Å; L276-L624 HydrophobicContact CG-CD2 4.26Å; L276-L627 HydrophobicContact CD1-CD2 4.02Å; L276-L627 HydrophobicContact CD2-CD2 3.44Å; L276-L627 VanDerWaalsContact CD2-CD2 3.44Å; L276-L627 HydrophobicContact CG-CD2 4.28Å |
| 277 | M | 86.4 | Confident | 83 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 16% | 0.163 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -61.8 | 118.1 | 173.8 | -72.3 | -177.3 | 72.8 | 0 | 0 | 108.3 | V86 L88 V89 G273 T274 R279 P548 | V86-M277 HydrophobicContact CG1-CE 4.43Å; L88-M277 HydrophobicContact CD2-CE 4.21Å; V89-M277 HydrophobicContact CB-CG 4.29Å; V89-M277 HydrophobicContact CG2-CG 3.71Å; G273-M277 PolarHBondContact O-N 3.34Å; T274-M277 HydrophobicContact CG2-SD 4.1Å; T274-M277 PolarHBondContact O-N 3.11Å; M277-R279 PolarHBondContact O-N 3.48Å; M277-P548 HydrophobicContact CE-CB 4.16Å; M277-P548 HydrophobicContact CE-CG 4.11Å; M277-P548 HydrophobicContact SD-CB 3.94Å; M277-P548 HydrophobicContact SD-CG 4.36Å |
| 278 | K | 75.3 | Confident | 82.5 | Confident | 194 Ų | 194 | 53 Ų | 53 | 84% | 0.843 | 24% | 0.243 | S | C | * | . | trans | -58.7 | 125.4 | 167.1 | -67.1 | -174.8 | 178.9 | -178.8 | 0 | 106.4 | L276 K280 | L276-K278 PolarHBondContact O-N 3.46Å; L276-K278 VanDerWaalsContact O-N 3.11Å; K278-K280 PolarHBondContact O-N 2.9Å | ||
| 279 | R | 66 | Low | 81.8 | Confident | 218 Ų | 218 | 56.8 Ų | 56.8 | 82% | 0.823 | 26% | 0.261 | S | S | * | . | trans | -51.8 | 115.6 | 171.7 | -74 | -175.1 | -177.4 | 169.1 | 1 | 106.6 | M277 | M277-R279 PolarHBondContact O-N 3.48Š| ||
| 280 | K | 61.6 | Low | 81.3 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 29% | 0.291 | 28% | 0.278 | S | S | . | . | trans | -55.4 | 148.7 | 176.7 | -71.2 | -176.1 | -179.6 | 179.1 | 0 | 107.8 | V86 H130 K278 E282 | V86-K280 VanDerWaalsContact CA-NZ 3.25Å; V86-K280 WeakPolarHBondContact O-CE 3.46Å; V86-K280 PolarHBondContact O-NZ 3.47Å; H130-K280 PolarHBondContact CD2-NZ 2.75Å; H130-K280 PolarHBondContact CE1-NZ 2.96Å; H130-K280 PolarHBondContact ND1-NZ 2.78Å; H130-K280 PolarHBondContact NE2-NZ 2.89Å; H130-K280 VanDerWaalsContact NE2-NZ 3.11Å; K278-K280 PolarHBondContact O-N 2.9Å; K280-E282 VanDerWaalsContact C-N 3.32Å; K280-E282 PolarHBondContact O-N 2.74Å | ||
| 281 | F | 64.7 | Low | 81 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 37% | 0.373 | 31% | 0.309 | S | S | . | . | trans | -61 | 103.4 | 166.1 | -171.8 | -95.4 | 0 | 0 | 0 | 107.8 | E283 N295 I297 T298 | F281-E283 PolarHBondContact O-N 2.82Å; F281-N295 WeakPolarHBondContact CZ-ND2 3.47Å; F281-I297 HydrophobicContact CD2-CG2 4.43Å; F281-I297 HydrophobicContact CE2-CB 4.4Å; F281-I297 HydrophobicContact CE2-CD1 4.34Å; F281-I297 HydrophobicContact CE2-CG2 4.01Å; F281-T298 HydrophobicContact CD1-CG2 3.46Å; F281-T298 VanDerWaalsContact CD1-CG2 3.46Å; F281-T298 HydrophobicContact CD2-CG2 4.18Å; F281-T298 HydrophobicContact CE1-CG2 3.19Å; F281-T298 HydrophobicContact CE2-CG2 3.99Å; F281-T298 HydrophobicContact CG-CG2 3.93Å; F281-T298 HydrophobicContact CZ-CG2 3.5Å; F281-T298 VanDerWaalsContact CZ-CG2 3.5Å | ||
| 282 | E | 66.2 | Low | 80.4 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 127.7 | 178.6 | -74.6 | 179.1 | -121 | 0 | 0 | 108.8 | K280 R391 L392 S394 | K280-E282 VanDerWaalsContact C-N 3.32Å; K280-E282 PolarHBondContact O-N 2.74Å; E282-R391 PolarHBondContact O-NH1 2.94Å; E282-L392 HydrophobicContact CB-CD1 4.49Å; E282-L392 HydrophobicContact CB-CD2 3.56Å; E282-L392 HydrophobicContact CB-CG 4.44Å; E282-L392 VanDerWaalsContact O-CD2 3.32Å; E282-L392 WeakPolarHBondContact O-CD2 3.06Å; E282-S394 VanDerWaalsContact CD-OG 3.26Å; E282-S394 WeakPolarHBondContact OE1-CB 3.39Å; E282-S394 PolarHBondContact OE1-OG 3.4Å; E282-S394 PolarHBondContact OE2-N 2.91Å; E282-S394 PolarHBondContact OE2-OG 2.89Å |
| 283 | E | 70.8 | Confident | 79.9 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 29% | 0.29 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 155.4 | 173.3 | -71.3 | -72.7 | 154.5 | 0 | 0 | 110.1 | R136 F281 R285 K300 | R136-E283 IonicContact CZ-OE1 3.43Å; R136-E283 IonicContact CZ-OE2 3.64Å; R136-E283 IonicContact NH1-OE1 2.73Å; R136-E283 IonicContact NH1-OE2 2.75Å; R136-E283 PolarHBondContact NH1-OE2 2.78Å; R136-E283 IonicContact NH2-OE1 3.06Å; R136-E283 PolarHBondContact NH2-OE1 2.82Å; R136-E283 IonicContact NH2-OE2 3.34Å; R136-E283 PolarHBondContact NH2-OE2 3.37Å; F281-E283 PolarHBondContact O-N 2.82Å; E283-R285 PolarHBondContact O-N 3.42Å; E283-K300 IonicContact OE1-NZ 3.14Å |
| 284 | P | 79.2 | Confident | 79.6 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 130.3 | 175 | -23.1 | 32.4 | 0 | 0 | 0 | 111.6 | F288 R391 | P284-F288 HydrophobicContact CB-CB 4.27Å; P284-F288 HydrophobicContact CB-CD1 3.6Å; P284-F288 HydrophobicContact CB-CE1 4.27Å; P284-F288 HydrophobicContact CB-CG 4.27Å; P284-F288 HydrophobicContact CG-CD1 4.43Å; P284-R391 CarbonylContact C-O 3.59Å; P284-R391 WeakPolarHBondContact CA-O 3.24Å; P284-R391 HydrophobicContact CB-CG 4.24Å; P284-R391 HydrophobicContact CG-CG 4.39Å |
| 285 | R | 81.4 | Confident | 79.2 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 158 | 174.9 | 70.7 | 167.9 | -96.3 | 131 | -18.6 | 109.2 | E283 G287 F288 H390 R391 E393 | E283-R285 PolarHBondContact O-N 3.42Å; R285-G287 PolarHBondContact O-N 2.81Å; R285-F288 HydrophobicContact CG-CB 4.03Å; R285-F288 WeakPolarHBondContact O-CA 3.48Å; R285-F288 WeakPolarHBondContact O-CB 3.5Å; R285-F288 PolarHBondContact O-N 3.22Å; R285-H390 WeakPolarHBondContact CD-O 3.25Å; R285-H390 WeakPolarHBondContact CG-O 3.2Å; R285-R391 PolarHBondContact N-O 3.18Å; R285-E393 HydrophobicContact CB-CB 4.47Å; R285-E393 WeakPolarHBondContact CB-OE2 3.29Å; R285-E393 IonicContact CZ-OE2 2.68Å; R285-E393 IonicContact NH1-OE1 2.61Å; R285-E393 PolarHBondContact NH1-OE1 3.06Å; R285-E393 IonicContact NH1-OE2 2.66Å; R285-E393 PolarHBondContact NH1-OE2 2.88Å |
| 286 | P | 70.9 | Confident | 78.9 | Confident | 28 Ų | 28 | 71.6 Ų | 71.6 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -11.9 | -158.4 | -27.8 | 49.4 | 0 | 0 | 0 | 116.9 | R159 | R159-P286 HydrophobicContact CB-CB 4.38Å; R159-P286 HydrophobicContact CB-CG 4.41Å; R159-P286 HydrophobicContact CG-CB 3Å; R159-P286 HydrophobicContact CG-CG 3.15Å; R159-P286 VanDerWaalsContact NH1-CG 3.31Å; R159-P286 VanDerWaalsContact NH2-CD 3.32Å |
| 287 | G | 74.4 | Confident | 78.5 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R285 H289 | R285-G287 PolarHBondContact O-N 2.81Å; G287-H289 PolarHBondContact O-CD2 3.32Å; G287-H289 VanDerWaalsContact O-CD2 3.28Å; G287-H289 PolarHBondContact O-N 2.98Å |
| 288 | F | 85.4 | Confident | 78.2 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 5% | 0.048 | 40% | 0.401 | C | S | . | . | trans | -72.5 | 128 | 178.3 | -175.8 | -112.9 | 0 | 0 | 0 | 111.2 | P284 R285 P303 Y305 N389 H390 R391 | P284-F288 HydrophobicContact CB-CB 4.27Å; P284-F288 HydrophobicContact CB-CD1 3.6Å; P284-F288 HydrophobicContact CB-CE1 4.27Å; P284-F288 HydrophobicContact CB-CG 4.27Å; P284-F288 HydrophobicContact CG-CD1 4.43Å; R285-F288 HydrophobicContact CG-CB 4.03Å; R285-F288 WeakPolarHBondContact O-CA 3.48Å; R285-F288 WeakPolarHBondContact O-CB 3.5Å; R285-F288 PolarHBondContact O-N 3.22Å; F288-P303 HydrophobicContact CD1-CB 4.21Å; F288-P303 HydrophobicContact CE1-CB 4.19Å; F288-P303 WeakPolarHBondContact CE1-O 3.15Å; F288-Y305 HydrophobicContact CE2-CG 4.42Å; F288-N389 VanDerWaalsContact CA-OD1 3.3Å; F288-N389 WeakPolarHBondContact CA-OD1 3.27Å; F288-N389 WeakPolarHBondContact CD2-O 2.89Å; F288-N389 VanDerWaalsContact CD2-OD1 3.25Å; F288-N389 WeakPolarHBondContact CD2-OD1 3.43Å; F288-N389 WeakPolarHBondContact CE2-O 3.37Å; F288-H390 WeakPolarHBondContact CD2-O 3.24Å; F288-R391 HydrophobicContact CD1-CG 4.31Å; F288-R391 HydrophobicContact CD2-CB 4.21Å; F288-R391 HydrophobicContact CE1-CB 4.32Å; F288-R391 HydrophobicContact CE1-CG 3.92Å; F288-R391 HydrophobicContact CE2-CB 3.89Å; F288-R391 HydrophobicContact CE2-CG 4.4Å; F288-R391 HydrophobicContact CZ-CB 3.93Å; F288-R391 HydrophobicContact CZ-CG 3.99Å | ||
| 289 | H | 82.9 | Confident | 78.5 | Confident | 102 Ų | 102 | 70.1 Ų | 70.1 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | trans | -135 | 150.9 | -178.7 | 55.5 | 62.4 | 0 | 0 | 0 | 111.4 | G287 N389 | G287-H289 PolarHBondContact O-CD2 3.32Å; G287-H289 VanDerWaalsContact O-CD2 3.28Å; G287-H289 PolarHBondContact O-N 2.98Å; H289-N389 PolarHBondContact N-OD1 3.44Å; H289-N389 PolarHBondContact O-ND2 2.79Å | ||
| 290 | G | 85.9 | Confident | 78.9 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | trans | -176.5 | -177.2 | -174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L304 | G290-L304 CarbonylContact C-O 3.34Å; G290-L304 VanDerWaalsContact CA-O 3.29Å; G290-L304 WeakPolarHBondContact CA-O 3.12Å | ||
| 291 | V | 87.6 | Confident | 79.7 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 72% | 0.715 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133.5 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | G293 L304 | V291-G293 PolarHBondContact O-N 3.38Å; V291-L304 PolarHBondContact N-O 3Å; V291-L304 PolarHBondContact O-N 3.13Å |
| 292 | L | 83.3 | Confident | 80.5 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 40% | 0.403 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 132.3 | 176.2 | -70.2 | 170.8 | 0 | 0 | 0 | 110 | Y152 P303 | Y152-L292 HydrophobicContact CD1-CD1 4.4Å; Y152-L292 HydrophobicContact CD1-CD2 4.18Å; Y152-L292 HydrophobicContact CD2-CD2 3.69Å; Y152-L292 HydrophobicContact CE1-CD2 4.05Å; Y152-L292 HydrophobicContact CE2-CD2 3.59Å; Y152-L292 HydrophobicContact CG-CD1 4.14Å; Y152-L292 HydrophobicContact CG-CD2 4Å; L292-P303 HydrophobicContact CD2-CG 4.37Å |
| 293 | G | 85.8 | Confident | 81.3 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V291 E301 E302 | V291-G293 PolarHBondContact O-N 3.38Å; G293-E301 WeakPolarHBondContact O-CA 3.46Å; G293-E302 PolarHBondContact N-O 2.72Å; G293-E302 PolarHBondContact O-N 3.18Å |
| 294 | I | 87.1 | Confident | 82.1 | Confident | 122 Ų | 122 | 59 Ų | 59 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.6 | -179 | -59 | 173.3 | 0 | 0 | 0 | 108.9 | ||
| 295 | N | 84.1 | Confident | 82.7 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | trans | -70.8 | 125.2 | 173.7 | 177.4 | -22.5 | 0 | 0 | 0 | 110 | F281 I297 T298 G299 K300 E302 R391 | F281-N295 WeakPolarHBondContact CZ-ND2 3.47Å; N295-I297 PolarHBondContact O-N 2.91Å; N295-I297 WeakPolarHBondContact OD1-CB 3.29Å; N295-I297 PolarHBondContact OD1-N 3.39Å; N295-T298 WeakPolarHBondContact CB-OG1 3.05Å; N295-T298 PolarHBondContact OD1-N 2.72Å; N295-G299 VanDerWaalsContact O-CA 3.29Å; N295-G299 WeakPolarHBondContact O-CA 3.36Å; N295-G299 PolarHBondContact O-N 3.28Å; N295-K300 PolarHBondContact N-O 3.22Å; N295-E302 HydrophobicContact CB-CG 3.76Å; N295-E302 VanDerWaalsContact ND2-CD 3.27Å; N295-E302 PolarHBondContact ND2-OE1 2.73Å; N295-R391 PolarHBondContact ND2-NH2 3.29Å | ||
| 296 | P | 85.9 | Confident | 83.3 | Confident | 123 Ų | 123 | 60.3 Ų | 60.3 | 80% | 0.799 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.7 | -177.2 | 27.8 | -35.9 | 0 | 0 | 0 | 114 | ||
| 297 | I | 84 | Confident | 84.4 | Confident | 133 Ų | 133 | 61.8 Ų | 61.8 | 68% | 0.682 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -47.4 | -178.6 | -55.6 | 170.7 | 0 | 0 | 0 | 110.6 | F281 N295 | F281-I297 HydrophobicContact CD2-CG2 4.43Å; F281-I297 HydrophobicContact CE2-CB 4.4Å; F281-I297 HydrophobicContact CE2-CD1 4.34Å; F281-I297 HydrophobicContact CE2-CG2 4.01Å; N295-I297 PolarHBondContact O-N 2.91Å; N295-I297 WeakPolarHBondContact OD1-CB 3.29Å; N295-I297 PolarHBondContact OD1-N 3.39Å |
| 298 | T | 79.3 | Confident | 85.4 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 25% | 0.252 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -15.7 | -174.1 | 57.2 | 0 | 0 | 0 | 0 | 114 | F281 N295 K300 | F281-T298 HydrophobicContact CD1-CG2 3.46Å; F281-T298 VanDerWaalsContact CD1-CG2 3.46Å; F281-T298 HydrophobicContact CD2-CG2 4.18Å; F281-T298 HydrophobicContact CE1-CG2 3.19Å; F281-T298 HydrophobicContact CE2-CG2 3.99Å; F281-T298 HydrophobicContact CG-CG2 3.93Å; F281-T298 HydrophobicContact CZ-CG2 3.5Å; F281-T298 VanDerWaalsContact CZ-CG2 3.5Å; N295-T298 WeakPolarHBondContact CB-OG1 3.05Å; N295-T298 PolarHBondContact OD1-N 2.72Å; T298-K300 PolarHBondContact O-N 3.1Å; T298-K300 PolarHBondContact OG1-N 3.23Å |
| 299 | G | 81.4 | Confident | 85.8 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | trans | 67.3 | 7.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | N295 | N295-G299 VanDerWaalsContact O-CA 3.29Å; N295-G299 WeakPolarHBondContact O-CA 3.36Å; N295-G299 PolarHBondContact O-N 3.28Å | ||
| 300 | K | 75.6 | Confident | 86.4 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 41% | 0.409 | 38% | 0.378 | S | S | . | . | trans | -92.7 | 148.3 | -177.8 | -62.3 | 179.8 | -173.7 | 174.6 | 0 | 111.3 | E283 N295 T298 E302 | E283-K300 IonicContact OE1-NZ 3.14Å; N295-K300 PolarHBondContact N-O 3.22Å; T298-K300 PolarHBondContact O-N 3.1Å; T298-K300 PolarHBondContact OG1-N 3.23Å; K300-E302 PolarHBondContact O-N 3.11Å | ||
| 301 | E | 78 | Confident | 86.9 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 117.1 | 169.2 | -166.5 | 177.7 | -170.4 | 0 | 0 | 109.8 | G293 | G293-E301 WeakPolarHBondContact O-CA 3.46Å |
| 302 | E | 81.1 | Confident | 87.3 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 163.3 | 178 | 62.9 | 174.2 | -144.5 | 0 | 0 | 110.7 | G293 N295 K300 L304 R391 | G293-E302 PolarHBondContact N-O 2.72Å; G293-E302 PolarHBondContact O-N 3.18Å; N295-E302 HydrophobicContact CB-CG 3.76Å; N295-E302 VanDerWaalsContact ND2-CD 3.27Å; N295-E302 PolarHBondContact ND2-OE1 2.73Å; K300-E302 PolarHBondContact O-N 3.11Å; E302-L304 HydrophobicContact CG-CD2 4.11Å; E302-L304 PolarHBondContact O-N 3.49Å; E302-R391 VanDerWaalsContact CD-NH2 3.31Å; E302-R391 IonicContact OE1-CZ 2.71Å; E302-R391 IonicContact OE1-NE 3.5Å; E302-R391 PolarHBondContact OE1-NE 2.55Å; E302-R391 IonicContact OE1-NH2 3.06Å; E302-R391 PolarHBondContact OE1-NH2 3.04Å; E302-R391 IonicContact OE2-CZ 3.5Å; E302-R391 IonicContact OE2-NH2 2.63Å; E302-R391 PolarHBondContact OE2-NH2 2.89Å |
| 303 | P | 83.4 | Confident | 87.9 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 7% | 0.065 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 131.4 | 170.5 | -19.1 | 32.6 | 0 | 0 | 0 | 109.2 | Y152 F288 L292 | Y152-P303 WeakPolarHBondContact OH-CD 3.32Å; Y152-P303 WeakPolarHBondContact OH-CG 3.38Å; F288-P303 HydrophobicContact CD1-CB 4.21Å; F288-P303 HydrophobicContact CE1-CB 4.19Å; F288-P303 WeakPolarHBondContact CE1-O 3.15Å; L292-P303 HydrophobicContact CD2-CG 4.37Å |
| 304 | L | 88.4 | Confident | 88.3 | Confident | 64 Ų | 64 | 68.8 Ų | 68.8 | 34% | 0.335 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134 | 173.9 | -61 | -179.7 | 0 | 0 | 0 | 109 | G290 V291 E302 | G290-L304 CarbonylContact C-O 3.34Å; G290-L304 VanDerWaalsContact CA-O 3.29Å; G290-L304 WeakPolarHBondContact CA-O 3.12Å; V291-L304 PolarHBondContact N-O 3Å; V291-L304 PolarHBondContact O-N 3.13Å; E302-L304 HydrophobicContact CG-CD2 4.11Å; E302-L304 PolarHBondContact O-N 3.49Å |
| 305 | Y | 90.6 | Very high | 88.8 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | trans | -127.3 | 123.3 | 178.2 | -167.3 | -94.9 | 0 | 0 | 0 | 110.1 | F288 S307 K309 R310 R313 N389 | F288-Y305 HydrophobicContact CE2-CG 4.42Å; Y305-S307 PolarHBondContact O-N 3.22Å; Y305-K309 HydrophobicContact CE1-CB 3.74Å; Y305-R310 HydrophobicContact CD1-CB 4.23Å; Y305-R310 HydrophobicContact CE1-CB 3.93Å; Y305-R313 PolarHBondContact OH-NE 2.9Å; Y305-R313 VanDerWaalsContact OH-NE 3.12Å; Y305-R313 PolarHBondContact OH-NH2 2.97Å; Y305-N389 WeakPolarHBondContact CD2-ND2 3.33Å; Y305-N389 VanDerWaalsContact CG-ND2 3.28Å | ||
| 306 | P | 94 | Very high | 89.4 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | trans | -61.4 | 129.2 | -178.7 | -22.1 | 31.7 | 0 | 0 | 0 | 112.5 | Y308 K309 R310 | P306-Y308 VanDerWaalsContact C-N 3.32Å; P306-Y308 HydrophobicContact CB-CD1 3.68Å; P306-Y308 HydrophobicContact CB-CE1 3.33Å; P306-Y308 HydrophobicContact CG-CE1 4.19Å; P306-Y308 PolarHBondContact O-N 3.39Å; P306-K309 HydrophobicContact CB-CD 4.44Å; P306-K309 HydrophobicContact CB-CG 4.27Å; P306-K309 HydrophobicContact CG-CD 4.23Å; P306-K309 PolarHBondContact O-N 2.86Å; P306-R310 PolarHBondContact O-N 3.39Å | ||
| 307 | S | 93.5 | Very high | 89.9 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.1 | -36.7 | -177.5 | -68.2 | 0 | 0 | 0 | 0 | 113.4 | Y305 K309 R310 Q311 | Y305-S307 PolarHBondContact O-N 3.22Å; S307-K309 VanDerWaalsContact C-N 3.31Å; S307-K309 PolarHBondContact O-N 3.26Å; S307-R310 WeakPolarHBondContact O-CB 3.37Å; S307-R310 PolarHBondContact O-N 2.81Å; S307-R310 VanDerWaalsContact O-N 3.13Å; S307-R310 PolarHBondContact OG-NH2 3.07Å; S307-Q311 WeakPolarHBondContact O-CG 3.49Å; S307-Q311 PolarHBondContact O-N 3.24Å; S307-Q311 PolarHBondContact O-OE1 2.98Å |
| 308 | Y | 95.3 | Very high | 90.5 | Very high | 137 Ų | 137 | 66.6 Ų | 66.6 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 179 | 71.6 | -94.5 | 0 | 0 | 0 | 112.4 | P306 R310 Q311 L312 | P306-Y308 VanDerWaalsContact C-N 3.32Å; P306-Y308 HydrophobicContact CB-CD1 3.68Å; P306-Y308 HydrophobicContact CB-CE1 3.33Å; P306-Y308 HydrophobicContact CG-CE1 4.19Å; P306-Y308 PolarHBondContact O-N 3.39Å; Y308-R310 VanDerWaalsContact C-N 3.33Å; Y308-R310 PolarHBondContact O-N 3.03Å; Y308-Q311 VanDerWaalsContact CA-OE1 3.29Å; Y308-Q311 PolarHBondContact O-N 3.13Å; Y308-L312 HydrophobicContact CD2-CD1 4.35Å; Y308-L312 VanDerWaalsContact O-CG 3.29Å; Y308-L312 WeakPolarHBondContact O-CG 3.28Å; Y308-L312 PolarHBondContact O-N 2.82Å |
| 309 | K | 95.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 68.9 Ų | 68.9 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.4 | -66.3 | -172.7 | 178.9 | -178.2 | 0 | 110.8 | Y305 P306 S307 L312 R313 | Y305-K309 HydrophobicContact CE1-CB 3.74Å; P306-K309 HydrophobicContact CB-CD 4.44Å; P306-K309 HydrophobicContact CB-CG 4.27Å; P306-K309 HydrophobicContact CG-CD 4.23Å; P306-K309 PolarHBondContact O-N 2.86Å; S307-K309 VanDerWaalsContact C-N 3.31Å; S307-K309 PolarHBondContact O-N 3.26Å; K309-L312 PolarHBondContact O-N 2.9Å; K309-R313 WeakPolarHBondContact O-CG 3.46Å; K309-R313 PolarHBondContact O-N 3.42Å |
| 310 | R | 94.9 | Very high | 92.1 | Very high | 45 Ų | 45 | 69.2 Ų | 69.2 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.4 | 176.5 | 173.6 | 67.7 | -102.6 | -8.5 | 110.9 | Y305 P306 S307 Y308 L312 R313 I314 E388 | Y305-R310 HydrophobicContact CD1-CB 4.23Å; Y305-R310 HydrophobicContact CE1-CB 3.93Å; P306-R310 PolarHBondContact O-N 3.39Å; S307-R310 WeakPolarHBondContact O-CB 3.37Å; S307-R310 PolarHBondContact O-N 2.81Å; S307-R310 VanDerWaalsContact O-N 3.13Å; S307-R310 PolarHBondContact OG-NH2 3.07Å; Y308-R310 VanDerWaalsContact C-N 3.33Å; Y308-R310 PolarHBondContact O-N 3.03Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.44Å; R310-R313 WeakPolarHBondContact O-CB 3.36Å; R310-R313 PolarHBondContact O-N 2.85Å; R310-I314 HydrophobicContact CG-CD1 3.89Å; R310-I314 HydrophobicContact CG-CG1 4.49Å; R310-I314 WeakPolarHBondContact O-CG1 3.23Å; R310-I314 PolarHBondContact O-N 3.33Å; R310-E388 WeakPolarHBondContact CG-O 3.39Å |
| 311 | Q | 95.3 | Very high | 93.1 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 178.3 | -72.8 | 150.5 | -17.3 | 0 | 0 | 111.7 | S307 Y308 R313 I314 Y315 | S307-Q311 WeakPolarHBondContact O-CG 3.49Å; S307-Q311 PolarHBondContact O-N 3.24Å; S307-Q311 PolarHBondContact O-OE1 2.98Å; Y308-Q311 VanDerWaalsContact CA-OE1 3.29Å; Y308-Q311 PolarHBondContact O-N 3.13Å; Q311-R313 PolarHBondContact O-N 2.66Å; Q311-I314 PolarHBondContact O-N 3.01Å; Q311-Y315 HydrophobicContact CB-CD2 4.35Å; Q311-Y315 HydrophobicContact CB-CE2 4.36Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.44Å; Q311-Y315 PolarHBondContact O-N 3.5Å |
| 312 | L | 96.5 | Very high | 94 | Very high | 93 Ų | 93 | 64.8 Ų | 64.8 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 172.9 | -70 | 171 | 0 | 0 | 0 | 112 | Y308 K309 R310 I314 L316 | Y308-L312 HydrophobicContact CD2-CD1 4.35Å; Y308-L312 VanDerWaalsContact O-CG 3.29Å; Y308-L312 WeakPolarHBondContact O-CG 3.28Å; Y308-L312 PolarHBondContact O-N 2.82Å; K309-L312 PolarHBondContact O-N 2.9Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.44Å; L312-I314 VanDerWaalsContact C-N 3.34Å; L312-I314 PolarHBondContact O-N 3.08Å; L312-L316 HydrophobicContact CB-CD1 4.37Å; L312-L316 HydrophobicContact CD2-CD1 3.73Å; L312-L316 HydrophobicContact CD2-CG 4.42Å; L312-L316 WeakPolarHBondContact O-CB 3.38Å; L312-L316 WeakPolarHBondContact O-CG 3.35Å; L312-L316 PolarHBondContact O-N 3.37Å |
| 313 | R | 96.2 | Very high | 94.7 | Very high | 60 Ų | 60 | 67.5 Ų | 67.5 | 23% | 0.226 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 174.8 | -72.5 | -175.2 | -178.8 | -163.4 | -2.2 | 112.4 | Y305 K309 R310 Q311 V317 S318 W387 | Y305-R313 PolarHBondContact OH-NE 2.9Å; Y305-R313 VanDerWaalsContact OH-NE 3.12Å; Y305-R313 PolarHBondContact OH-NH2 2.97Å; K309-R313 WeakPolarHBondContact O-CG 3.46Å; K309-R313 PolarHBondContact O-N 3.42Å; R310-R313 WeakPolarHBondContact O-CB 3.36Å; R310-R313 PolarHBondContact O-N 2.85Å; Q311-R313 PolarHBondContact O-N 2.66Å; R313-V317 WeakPolarHBondContact O-CB 3.44Å; R313-V317 PolarHBondContact O-N 2.93Å; R313-S318 PolarHBondContact O-N 3.27Å; R313-W387 HydrophobicContact CB-CE3 4.16Å; R313-W387 HydrophobicContact CB-CH2 3.94Å; R313-W387 HydrophobicContact CB-CZ3 3.45Å; R313-W387 VanDerWaalsContact CB-CZ3 3.45Å; R313-W387 HydrophobicContact CG-CE3 4.24Å; R313-W387 HydrophobicContact CG-CH2 3.47Å; R313-W387 VanDerWaalsContact CG-CH2 3.47Å; R313-W387 HydrophobicContact CG-CZ2 4.2Å; R313-W387 HydrophobicContact CG-CZ3 3.49Å; R313-W387 VanDerWaalsContact CG-CZ3 3.49Å; R313-W387 PolarHBondContact NH1-O 3.32Å |
| 314 | I | 94.5 | Very high | 95.4 | Very high | 27 Ų | 27 | 72.2 Ų | 72.2 | 14% | 0.138 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -65.3 | -55.9 | 179.1 | -66.9 | 166.7 | 0 | 0 | 0 | 110 | R310 Q311 L312 S318 L319 E388 | R310-I314 HydrophobicContact CG-CD1 3.89Å; R310-I314 HydrophobicContact CG-CG1 4.49Å; R310-I314 WeakPolarHBondContact O-CG1 3.23Å; R310-I314 PolarHBondContact O-N 3.33Å; Q311-I314 PolarHBondContact O-N 3.01Å; L312-I314 VanDerWaalsContact C-N 3.34Å; L312-I314 PolarHBondContact O-N 3.08Å; I314-S318 WeakPolarHBondContact O-CB 3.33Å; I314-S318 PolarHBondContact O-N 2.99Å; I314-L319 PolarHBondContact O-N 2.76Å; I314-E388 HydrophobicContact CG1-CB 4.36Å; I314-E388 HydrophobicContact CG1-CG 3.82Å |
| 315 | Y | 96.7 | Very high | 95.7 | Very high | 150 Ų | 150 | 70.2 Ų | 70.2 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | I | π-helix | trans | -78 | -30 | -170.7 | -66.6 | -56 | 0 | 0 | 0 | 114.6 | Q311 L319 P320 | Q311-Y315 HydrophobicContact CB-CD2 4.35Å; Q311-Y315 HydrophobicContact CB-CE2 4.36Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.44Å; Q311-Y315 PolarHBondContact O-N 3.5Å; Y315-L319 HydrophobicContact CD1-CD2 4.31Å; Y315-P320 VanDerWaalsContact O-CD 3.31Å; Y315-P320 WeakPolarHBondContact O-CD 3.33Å |
| 316 | L | 97.3 | Very high | 96 | Very high | 120 Ų | 120 | 70 Ų | 70 | 63% | 0.628 | 35% | 0.353 | S | S | * | . | I | π-helix | trans | -99.3 | -17.5 | -175.5 | -57.5 | -179.5 | 0 | 0 | 0 | 114.1 | L312 | L312-L316 HydrophobicContact CB-CD1 4.37Å; L312-L316 HydrophobicContact CD2-CD1 3.73Å; L312-L316 HydrophobicContact CD2-CG 4.42Å; L312-L316 WeakPolarHBondContact O-CB 3.38Å; L312-L316 WeakPolarHBondContact O-CG 3.35Å; L312-L316 PolarHBondContact O-N 3.37Å |
| 317 | V | 97.4 | Very high | 96.1 | Very high | 67 Ų | 67 | 75.1 Ų | 75.1 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | I | π-helix | trans | -121 | -55.7 | 179.6 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | R313 F321 L384 W387 | R313-V317 WeakPolarHBondContact O-CB 3.44Å; R313-V317 PolarHBondContact O-N 2.93Å; V317-F321 WeakPolarHBondContact O-CB 3.22Å; V317-F321 PolarHBondContact O-N 3.19Å; V317-F321 VanDerWaalsContact O-N 3.08Å; V317-L384 HydrophobicContact CG1-CD1 4.34Å; V317-W387 HydrophobicContact CB-CH2 4.18Å; V317-W387 HydrophobicContact CB-CZ3 3.92Å; V317-W387 HydrophobicContact CG1-CH2 4.28Å; V317-W387 HydrophobicContact CG1-CZ3 4.02Å; V317-W387 HydrophobicContact CG2-CH2 3.93Å; V317-W387 HydrophobicContact CG2-CZ3 4.17Å |
| 318 | S | 95.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | I | π-helix | trans | -66.9 | -50.2 | -173.8 | 175.4 | 0 | 0 | 0 | 0 | 112.9 | R313 I314 F321 V322 L384 E388 K403 | R313-S318 PolarHBondContact O-N 3.27Å; I314-S318 WeakPolarHBondContact O-CB 3.33Å; I314-S318 PolarHBondContact O-N 2.99Å; S318-F321 WeakPolarHBondContact O-CB 3.3Å; S318-F321 PolarHBondContact O-N 3.41Å; S318-V322 WeakPolarHBondContact O-CG2 3.23Å; S318-V322 PolarHBondContact O-N 3.37Å; S318-L384 VanDerWaalsContact OG-CD2 3.27Å; S318-L384 WeakPolarHBondContact OG-CD2 3.31Å; S318-E388 WeakPolarHBondContact CB-OE1 2.8Å; S318-E388 PolarHBondContact OG-OE1 3.38Å; S318-K403 WeakPolarHBondContact OG-CE 3.35Å |
| 319 | L | 96 | Very high | 96.2 | Very high | 88 Ų | 88 | 70.9 Ų | 70.9 | 46% | 0.461 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | -178 | 176.8 | 66.8 | 0 | 0 | 0 | 111.9 | I314 Y315 F321 V322 C323 | I314-L319 PolarHBondContact O-N 2.76Å; Y315-L319 HydrophobicContact CD1-CD2 4.31Å; L319-F321 VanDerWaalsContact C-N 3.32Å; L319-F321 PolarHBondContact O-N 3.26Å; L319-V322 PolarHBondContact O-N 3.5Å; L319-C323 PolarHBondContact O-N 2.91Å; L319-C323 PolarHBondContact O-SG 3.12Å; L319-C323 VanDerWaalsContact O-SG 3.33Å |
| 320 | P | 97.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 69.6 Ų | 69.6 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 173.5 | -28.8 | 37.6 | 0 | 0 | 0 | 113.8 | Y315 C323 L324 | Y315-P320 VanDerWaalsContact O-CD 3.31Å; Y315-P320 WeakPolarHBondContact O-CD 3.33Å; P320-C323 PolarHBondContact O-N 2.76Å; P320-L324 WeakPolarHBondContact O-CB 3.48Å; P320-L324 PolarHBondContact O-N 3.02Å |
| 321 | F | 97.2 | Very high | 96.2 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.3 | 177.1 | -94.6 | 0 | 0 | 0 | 111.8 | V317 S318 L319 C323 L324 C325 Y377 A380 L384 | V317-F321 WeakPolarHBondContact O-CB 3.22Å; V317-F321 PolarHBondContact O-N 3.19Å; V317-F321 VanDerWaalsContact O-N 3.08Å; S318-F321 WeakPolarHBondContact O-CB 3.3Å; S318-F321 PolarHBondContact O-N 3.41Å; L319-F321 VanDerWaalsContact C-N 3.32Å; L319-F321 PolarHBondContact O-N 3.26Å; F321-C323 PolarHBondContact O-N 3.22Å; F321-L324 WeakPolarHBondContact O-CB 3.3Å; F321-L324 PolarHBondContact O-N 3.24Å; F321-C325 VanDerWaalsContact CZ-SG 3.6Å; F321-C325 PolarHBondContact O-N 3.41Å; F321-C325 PolarHBondContact O-SG 3.02Å; F321-C325 VanDerWaalsContact O-SG 3.41Å; F321-Y377 HydrophobicContact CE1-CE2 4.46Å; F321-A380 HydrophobicContact CE1-CB 3.98Å; F321-A380 HydrophobicContact CZ-CB 3.84Å; F321-L384 HydrophobicContact CB-CD2 4.27Å; F321-L384 HydrophobicContact CD1-CD2 3.51Å; F321-L384 HydrophobicContact CE1-CD2 4.21Å; F321-L384 HydrophobicContact CG-CD2 4.16Å |
| 322 | V | 96.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 174.8 | 175 | 0 | 0 | 0 | 0 | 110.2 | S318 L319 L324 C325 L326 Y377 K403 | S318-V322 WeakPolarHBondContact O-CG2 3.23Å; S318-V322 PolarHBondContact O-N 3.37Å; L319-V322 PolarHBondContact O-N 3.5Å; V322-L324 VanDerWaalsContact C-N 3.29Å; V322-L324 PolarHBondContact O-N 3.37Å; V322-C325 PolarHBondContact O-N 2.86Å; V322-C325 VanDerWaalsContact O-N 3.13Å; V322-L326 HydrophobicContact CG1-CD1 4.05Å; V322-L326 HydrophobicContact CG1-CG 4.23Å; V322-L326 VanDerWaalsContact O-CG 3.29Å; V322-L326 WeakPolarHBondContact O-CG 3.28Å; V322-L326 PolarHBondContact O-N 2.92Å; V322-Y377 WeakPolarHBondContact CG2-OH 3.09Å; V322-K403 HydrophobicContact CG2-CB 4.5Å; V322-K403 HydrophobicContact CG2-CD 4.21Å; V322-K403 HydrophobicContact CG2-CG 4.05Å |
| 323 | C | 96.8 | Very high | 96 | Very high | 67 Ų | 67 | 66 Ų | 66 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.9 | -39.7 | 177.4 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | L319 P320 F321 L326 Y327 | L319-C323 PolarHBondContact O-N 2.91Å; L319-C323 PolarHBondContact O-SG 3.12Å; L319-C323 VanDerWaalsContact O-SG 3.33Å; P320-C323 PolarHBondContact O-N 2.76Å; F321-C323 PolarHBondContact O-N 3.22Å; C323-L326 PolarHBondContact O-N 2.85Å; C323-Y327 PolarHBondContact O-N 3.11Å |
| 324 | L | 97.2 | Very high | 95.8 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 175.2 | 179.3 | 66.7 | 0 | 0 | 0 | 111.7 | P320 F321 V322 L326 Y327 F328 | P320-L324 WeakPolarHBondContact O-CB 3.48Å; P320-L324 PolarHBondContact O-N 3.02Å; F321-L324 WeakPolarHBondContact O-CB 3.3Å; F321-L324 PolarHBondContact O-N 3.24Å; V322-L324 VanDerWaalsContact C-N 3.29Å; V322-L324 PolarHBondContact O-N 3.37Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 3.46Å; L324-Y327 PolarHBondContact O-N 2.87Å; L324-F328 WeakPolarHBondContact O-CB 3.26Å; L324-F328 PolarHBondContact O-N 3.27Å |
| 325 | C | 96.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.1 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | F321 V322 F328 S329 Y377 F407 | F321-C325 VanDerWaalsContact CZ-SG 3.6Å; F321-C325 PolarHBondContact O-N 3.41Å; F321-C325 PolarHBondContact O-SG 3.02Å; F321-C325 VanDerWaalsContact O-SG 3.41Å; V322-C325 PolarHBondContact O-N 2.86Å; V322-C325 VanDerWaalsContact O-N 3.13Å; C325-F328 PolarHBondContact O-N 3.29Å; C325-S329 PolarHBondContact O-N 3.37Å; C325-Y377 HydrophobicContact CB-CD2 3.83Å; C325-Y377 HydrophobicContact CB-CE2 3.64Å; C325-F407 HydrophobicContact CB-CD2 4.17Å; C325-F407 HydrophobicContact CB-CE2 4.08Å |
| 326 | L | 95.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 62 Ų | 62 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 175.1 | -65.9 | 176.7 | 0 | 0 | 0 | 111.3 | V322 C323 L324 F328 S329 L330 V406 F407 L410 | V322-L326 HydrophobicContact CG1-CD1 4.05Å; V322-L326 HydrophobicContact CG1-CG 4.23Å; V322-L326 VanDerWaalsContact O-CG 3.29Å; V322-L326 WeakPolarHBondContact O-CG 3.28Å; V322-L326 PolarHBondContact O-N 2.92Å; C323-L326 PolarHBondContact O-N 2.85Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 3.46Å; L326-F328 VanDerWaalsContact C-N 3.34Å; L326-F328 PolarHBondContact O-N 3.42Å; L326-S329 PolarHBondContact O-N 3.41Å; L326-L330 PolarHBondContact O-N 3.47Å; L326-L330 VanDerWaalsContact O-N 3.1Å; L326-V406 HydrophobicContact CD1-CG1 3.87Å; L326-V406 HydrophobicContact CD2-CG1 4.09Å; L326-F407 HydrophobicContact CD2-CB 4.36Å; L326-F407 HydrophobicContact CD2-CD2 4.17Å; L326-L410 HydrophobicContact CB-CD2 3.6Å; L326-L410 HydrophobicContact CD2-CB 3.96Å; L326-L410 HydrophobicContact CD2-CD2 3.55Å; L326-L410 HydrophobicContact CD2-CG 4.42Å; L326-L410 HydrophobicContact CG-CD2 4.07Å; L326-L410 WeakPolarHBondContact O-CD2 3.23Å |
| 327 | Y | 96.3 | Very high | 95.2 | Very high | 158 Ų | 158 | 56.8 Ų | 56.8 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 173.4 | 172.3 | -97.6 | 0 | 0 | 0 | 111.9 | C323 L324 S329 L330 Y331 | C323-Y327 PolarHBondContact O-N 3.11Å; L324-Y327 PolarHBondContact O-N 2.87Å; Y327-S329 VanDerWaalsContact C-N 3.35Å; Y327-S329 PolarHBondContact O-N 2.77Å; Y327-L330 PolarHBondContact O-N 3Å; Y327-Y331 PolarHBondContact O-N 2.93Å |
| 328 | F | 95.9 | Very high | 94.9 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 47% | 0.469 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 177.2 | 178.9 | -103.7 | 0 | 0 | 0 | 112.5 | L324 C325 L326 L330 Y331 V332 M373 | L324-F328 WeakPolarHBondContact O-CB 3.26Å; L324-F328 PolarHBondContact O-N 3.27Å; C325-F328 PolarHBondContact O-N 3.29Å; L326-F328 VanDerWaalsContact C-N 3.34Å; L326-F328 PolarHBondContact O-N 3.42Å; F328-L330 PolarHBondContact O-N 3.3Å; F328-Y331 WeakPolarHBondContact O-CB 3.38Å; F328-Y331 PolarHBondContact O-N 3.37Å; F328-V332 HydrophobicContact CD1-CG2 4.25Å; F328-V332 HydrophobicContact CE1-CG2 3.75Å; F328-V332 HydrophobicContact CE2-CG2 4.09Å; F328-V332 HydrophobicContact CZ-CG2 3.66Å; F328-V332 WeakPolarHBondContact O-CG2 3.04Å; F328-V332 PolarHBondContact O-N 2.91Å; F328-M373 HydrophobicContact CD1-CE 3.66Å; F328-M373 HydrophobicContact CE1-CE 3.72Å; F328-M373 HydrophobicContact CE1-SD 4.26Å |
| 329 | S | 94.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 112 | C325 L326 Y327 Y331 V332 M333 N411 | C325-S329 PolarHBondContact O-N 3.37Å; L326-S329 PolarHBondContact O-N 3.41Å; Y327-S329 VanDerWaalsContact C-N 3.35Å; Y327-S329 PolarHBondContact O-N 2.77Å; S329-Y331 VanDerWaalsContact C-N 3.33Å; S329-Y331 PolarHBondContact O-N 3.2Å; S329-V332 PolarHBondContact O-N 3.45Å; S329-M333 PolarHBondContact O-N 3.22Å; S329-N411 PolarHBondContact OG-OD1 2.86Å |
| 330 | L | 94.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 59.2 Ų | 59.2 | 36% | 0.356 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 173.7 | -66.5 | 175.1 | 0 | 0 | 0 | 112.4 | L326 Y327 F328 M333 M334 L410 A414 | L326-L330 PolarHBondContact O-N 3.47Å; L326-L330 VanDerWaalsContact O-N 3.1Å; Y327-L330 PolarHBondContact O-N 3Å; F328-L330 PolarHBondContact O-N 3.3Å; L330-M333 HydrophobicContact CD2-CE 4.4Å; L330-M333 HydrophobicContact CD2-SD 4.49Å; L330-M333 WeakPolarHBondContact O-CB 3.47Å; L330-M333 PolarHBondContact O-N 2.94Å; L330-M334 WeakPolarHBondContact O-CG 3.49Å; L330-M334 PolarHBondContact O-N 3.44Å; L330-L410 HydrophobicContact CD1-CD2 4.41Å; L330-L410 HydrophobicContact CD2-CD1 4.1Å; L330-L410 HydrophobicContact CD2-CD2 4.27Å; L330-L410 HydrophobicContact CD2-CG 4.24Å; L330-L410 HydrophobicContact CG-CD2 4.03Å; L330-A414 HydrophobicContact CD2-CB 3.71Å |
| 331 | Y | 95.3 | Very high | 93.8 | Very high | 124 Ų | 124 | 60.9 Ų | 60.9 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 176.7 | -179.9 | -105.6 | 0 | 0 | 0 | 112.3 | Y327 F328 S329 M333 M334 I335 | Y327-Y331 PolarHBondContact O-N 2.93Å; F328-Y331 WeakPolarHBondContact O-CB 3.38Å; F328-Y331 PolarHBondContact O-N 3.37Å; S329-Y331 VanDerWaalsContact C-N 3.33Å; S329-Y331 PolarHBondContact O-N 3.2Å; Y331-M333 VanDerWaalsContact C-N 3.28Å; Y331-M333 PolarHBondContact O-N 3.34Å; Y331-M334 WeakPolarHBondContact O-CB 3.46Å; Y331-M334 PolarHBondContact O-N 3.02Å; Y331-M334 VanDerWaalsContact O-N 3.14Å; Y331-I335 HydrophobicContact CD1-CD1 3.93Å; Y331-I335 HydrophobicContact CE1-CD1 3.48Å; Y331-I335 VanDerWaalsContact CE1-CD1 3.48Å; Y331-I335 HydrophobicContact CE1-CG1 4.31Å; Y331-I335 PolarHBondContact O-N 2.84Å; Y331-I335 VanDerWaalsContact O-N 3.11Å |
| 332 | V | 94.4 | Very high | 93.5 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 174.3 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | F328 S329 M334 I335 Y336 Y366 V369 M373 | F328-V332 HydrophobicContact CD1-CG2 4.25Å; F328-V332 HydrophobicContact CE1-CG2 3.75Å; F328-V332 HydrophobicContact CE2-CG2 4.09Å; F328-V332 HydrophobicContact CZ-CG2 3.66Å; F328-V332 WeakPolarHBondContact O-CG2 3.04Å; F328-V332 PolarHBondContact O-N 2.91Å; S329-V332 PolarHBondContact O-N 3.45Å; V332-M334 VanDerWaalsContact C-N 3.34Å; V332-M334 PolarHBondContact O-N 3.39Å; V332-I335 PolarHBondContact O-N 3.07Å; V332-Y336 PolarHBondContact O-N 3.37Å; V332-Y366 HydrophobicContact CG1-CE2 4.39Å; V332-V369 HydrophobicContact CG1-CG1 3.8Å; V332-M373 HydrophobicContact CB-SD 4.23Å; V332-M373 HydrophobicContact CG1-SD 4Å; V332-M373 HydrophobicContact CG2-CE 4.33Å; V332-M373 HydrophobicContact CG2-SD 4.04Å |
| 333 | M | 92.9 | Very high | 93 | Very high | 9 Ų | 9 | 64 Ų | 64 | 4% | 0.044 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 173.6 | -179.3 | -158.2 | 75.9 | 0 | 0 | 112 | S329 L330 Y331 Y336 F337 A414 S415 Y418 | S329-M333 PolarHBondContact O-N 3.22Å; L330-M333 HydrophobicContact CD2-CE 4.4Å; L330-M333 HydrophobicContact CD2-SD 4.49Å; L330-M333 WeakPolarHBondContact O-CB 3.47Å; L330-M333 PolarHBondContact O-N 2.94Å; Y331-M333 VanDerWaalsContact C-N 3.28Å; Y331-M333 PolarHBondContact O-N 3.34Å; M333-Y336 WeakPolarHBondContact O-CB 3.39Å; M333-Y336 PolarHBondContact O-N 3.28Å; M333-F337 HydrophobicContact CE-CE2 4.3Å; M333-F337 HydrophobicContact CG-CD2 4.07Å; M333-F337 HydrophobicContact CG-CE2 3.65Å; M333-F337 VanDerWaalsContact O-CD2 3.24Å; M333-F337 WeakPolarHBondContact O-CD2 2.94Å; M333-F337 PolarHBondContact O-N 2.96Å; M333-F337 VanDerWaalsContact O-N 3.15Å; M333-F337 HydrophobicContact SD-CE2 4.09Å; M333-A414 HydrophobicContact SD-CB 3.63Å; M333-A414 VanDerWaalsContact SD-O 3.41Å; M333-S415 PolarHBondContact SD-N 3.28Å; M333-S415 VanDerWaalsContact SD-N 3.43Å; M333-Y418 HydrophobicContact CE-CD2 3.87Å; M333-Y418 HydrophobicContact CE-CG 4.12Å |
| 334 | M | 93.2 | Very high | 92.6 | Very high | 69 Ų | 69 | 64.6 Ų | 64.6 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 175.6 | -66 | -55.4 | -59.2 | 0 | 0 | 111.9 | L330 Y331 V332 Y336 F337 D338 Y418 | L330-M334 WeakPolarHBondContact O-CG 3.49Å; L330-M334 PolarHBondContact O-N 3.44Å; Y331-M334 WeakPolarHBondContact O-CB 3.46Å; Y331-M334 PolarHBondContact O-N 3.02Å; Y331-M334 VanDerWaalsContact O-N 3.14Å; V332-M334 VanDerWaalsContact C-N 3.34Å; V332-M334 PolarHBondContact O-N 3.39Å; M334-Y336 VanDerWaalsContact C-N 3.26Å; M334-Y336 PolarHBondContact O-N 3.48Å; M334-F337 PolarHBondContact O-N 2.88Å; M334-F337 VanDerWaalsContact O-N 3.13Å; M334-D338 PolarHBondContact O-N 2.78Å; M334-Y418 HydrophobicContact CE-CE2 4.08Å; M334-Y418 HydrophobicContact SD-CD2 4.28Å; M334-Y418 HydrophobicContact SD-CE2 3.74Å |
| 335 | I | 94.1 | Very high | 92.1 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 35% | 0.349 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.5 | -40.4 | 174.5 | -66.2 | 167.7 | 0 | 0 | 0 | 111.1 | Y331 V332 D338 L339 | Y331-I335 HydrophobicContact CD1-CD1 3.93Å; Y331-I335 HydrophobicContact CE1-CD1 3.48Å; Y331-I335 VanDerWaalsContact CE1-CD1 3.48Å; Y331-I335 HydrophobicContact CE1-CG1 4.31Å; Y331-I335 PolarHBondContact O-N 2.84Å; Y331-I335 VanDerWaalsContact O-N 3.11Å; V332-I335 PolarHBondContact O-N 3.07Å; I335-D338 PolarHBondContact O-N 3.15Å; I335-L339 HydrophobicContact CG2-CD1 4.08Å; I335-L339 HydrophobicContact CG2-CG 4.41Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 2.84Å |
| 336 | Y | 90.7 | Very high | 91.6 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.5 | 156.6 | -101.3 | 0 | 0 | 0 | 111.8 | V332 M333 M334 D338 L339 E340 P362 Y366 | V332-Y336 PolarHBondContact O-N 3.37Å; M333-Y336 WeakPolarHBondContact O-CB 3.39Å; M333-Y336 PolarHBondContact O-N 3.28Å; M334-Y336 VanDerWaalsContact C-N 3.26Å; M334-Y336 PolarHBondContact O-N 3.48Å; Y336-D338 PolarHBondContact O-N 3.24Å; Y336-L339 WeakPolarHBondContact O-CB 3.43Å; Y336-L339 PolarHBondContact O-N 3.34Å; Y336-E340 WeakPolarHBondContact CE1-OE2 3.44Å; Y336-E340 PolarHBondContact O-N 2.91Å; Y336-E340 VanDerWaalsContact OH-CD 3.31Å; Y336-E340 PolarHBondContact OH-OE2 2.99Å; Y336-P362 HydrophobicContact CD2-CB 4.44Å; Y336-P362 HydrophobicContact CE2-CB 4.3Å; Y336-Y366 HydrophobicContact CD1-CD1 4.05Å; Y336-Y366 HydrophobicContact CD1-CE1 4.15Å; Y336-Y366 HydrophobicContact CD1-CG 4.34Å; Y336-Y366 VanDerWaalsContact CD2-CB 3.43Å; Y336-Y366 AromaticContact CD2-CD1 3.89Å; Y336-Y366 HydrophobicContact CD2-CD1 3.89Å; Y336-Y366 HydrophobicContact CD2-CD2 4.34Å; Y336-Y366 AromaticContact CD2-CG 3.65Å; Y336-Y366 HydrophobicContact CD2-CG 3.65Å; Y336-Y366 HydrophobicContact CE1-CD1 4.31Å; Y336-Y366 HydrophobicContact CE2-CD1 4.14Å; Y336-Y366 HydrophobicContact CE2-CG 4.27Å; Y336-Y366 AromaticContact CG-CD1 3.82Å; Y336-Y366 HydrophobicContact CG-CD1 3.82Å; Y336-Y366 HydrophobicContact CG-CD2 4.01Å; Y336-Y366 HydrophobicContact CG-CE1 4.28Å; Y336-Y366 HydrophobicContact CG-CE2 4.47Å; Y336-Y366 AromaticContact CG-CG 3.67Å; Y336-Y366 HydrophobicContact CG-CG 3.67Å |
| 337 | F | 90.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 177.6 | -75.2 | -64 | 0 | 0 | 0 | 112.6 | M333 M334 L339 E340 V341 Y418 I419 L423 | M333-F337 HydrophobicContact CE-CE2 4.3Å; M333-F337 HydrophobicContact CG-CD2 4.07Å; M333-F337 HydrophobicContact CG-CE2 3.65Å; M333-F337 VanDerWaalsContact O-CD2 3.24Å; M333-F337 WeakPolarHBondContact O-CD2 2.94Å; M333-F337 PolarHBondContact O-N 2.96Å; M333-F337 VanDerWaalsContact O-N 3.15Å; M333-F337 HydrophobicContact SD-CE2 4.09Å; M334-F337 PolarHBondContact O-N 2.88Å; M334-F337 VanDerWaalsContact O-N 3.13Å; F337-L339 VanDerWaalsContact C-N 3.31Å; F337-L339 PolarHBondContact O-N 2.81Å; F337-E340 PolarHBondContact O-N 3.19Å; F337-V341 WeakPolarHBondContact O-CG2 3.02Å; F337-V341 PolarHBondContact O-N 3.48Å; F337-Y418 HydrophobicContact CB-CE1 4.43Å; F337-Y418 HydrophobicContact CD1-CD1 4.09Å; F337-Y418 HydrophobicContact CD1-CE1 4.02Å; F337-Y418 AromaticContact CD2-CD1 3.49Å; F337-Y418 HydrophobicContact CD2-CD1 3.49Å; F337-Y418 VanDerWaalsContact CD2-CD1 3.49Å; F337-Y418 AromaticContact CD2-CE1 3.58Å; F337-Y418 HydrophobicContact CD2-CE1 3.58Å; F337-Y418 HydrophobicContact CD2-CG 4.05Å; F337-Y418 AromaticContact CE1-CD1 3.78Å; F337-Y418 HydrophobicContact CE1-CD1 3.78Å; F337-Y418 HydrophobicContact CE1-CE1 4.17Å; F337-Y418 AromaticContact CE2-CD1 3.12Å; F337-Y418 HydrophobicContact CE2-CD1 3.12Å; F337-Y418 HydrophobicContact CE2-CD2 4.44Å; F337-Y418 AromaticContact CE2-CE1 3.75Å; F337-Y418 HydrophobicContact CE2-CE1 3.75Å; F337-Y418 AromaticContact CE2-CG 3.52Å; F337-Y418 HydrophobicContact CE2-CG 3.52Å; F337-Y418 AromaticContact CG-CD1 3.98Å; F337-Y418 HydrophobicContact CG-CD1 3.98Å; F337-Y418 AromaticContact CG-CE1 3.74Å; F337-Y418 HydrophobicContact CG-CE1 3.74Å; F337-Y418 AromaticContact CZ-CD1 3.3Å; F337-Y418 HydrophobicContact CZ-CD1 3.3Å; F337-Y418 HydrophobicContact CZ-CE1 4.06Å; F337-Y418 AromaticContact CZ-CG 3.98Å; F337-Y418 HydrophobicContact CZ-CG 3.98Å; F337-I419 HydrophobicContact CE1-CD1 4.32Å; F337-I419 HydrophobicContact CE1-CG1 3.81Å; F337-I419 HydrophobicContact CZ-CD1 4.29Å; F337-I419 HydrophobicContact CZ-CG1 3.79Å; F337-L423 HydrophobicContact CD1-CD1 4.26Å; F337-L423 HydrophobicContact CE1-CD1 4.02Å |
| 338 | D | 91.8 | Very high | 90.7 | Very high | 108 Ų | 108 | 63.1 Ų | 63.1 | 58% | 0.578 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.4 | -40.4 | 174.6 | -67.8 | -23.3 | 0 | 0 | 0 | 111.5 | M334 I335 Y336 W342 | M334-D338 PolarHBondContact O-N 2.78Å; I335-D338 PolarHBondContact O-N 3.15Å; Y336-D338 PolarHBondContact O-N 3.24Å; D338-W342 WeakPolarHBondContact O-CB 3.38Å; D338-W342 PolarHBondContact O-N 3.31Å |
| 339 | L | 90 | Very high | 90.4 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 174.6 | -73.3 | 171.4 | 0 | 0 | 0 | 112.5 | I335 Y336 F337 W342 A343 P362 | I335-L339 HydrophobicContact CG2-CD1 4.08Å; I335-L339 HydrophobicContact CG2-CG 4.41Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 2.84Å; Y336-L339 WeakPolarHBondContact O-CB 3.43Å; Y336-L339 PolarHBondContact O-N 3.34Å; F337-L339 VanDerWaalsContact C-N 3.31Å; F337-L339 PolarHBondContact O-N 2.81Å; L339-W342 PolarHBondContact O-N 2.87Å; L339-A343 WeakPolarHBondContact O-CB 3.27Å; L339-A343 PolarHBondContact O-N 3.47Å; L339-P362 HydrophobicContact CB-CB 4.28Å |
| 340 | E | 86.9 | Confident | 89.8 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 177.2 | -171.5 | 168.7 | -168.5 | 0 | 0 | 111.1 | Y336 F337 W342 A343 L344 | Y336-E340 WeakPolarHBondContact CE1-OE2 3.44Å; Y336-E340 PolarHBondContact O-N 2.91Å; Y336-E340 VanDerWaalsContact OH-CD 3.31Å; Y336-E340 PolarHBondContact OH-OE2 2.99Å; F337-E340 PolarHBondContact O-N 3.19Å; E340-W342 VanDerWaalsContact C-N 3.33Å; E340-W342 PolarHBondContact O-N 3.14Å; E340-A343 PolarHBondContact O-N 2.84Å; E340-L344 HydrophobicContact CG-CD1 4.41Å; E340-L344 WeakPolarHBondContact O-CG 3.32Å; E340-L344 PolarHBondContact O-N 3.44Å |
| 341 | V | 88.6 | Confident | 88.8 | Confident | 101 Ų | 101 | 67.6 Ų | 67.6 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | F337 L344 G345 | F337-V341 WeakPolarHBondContact O-CG2 3.02Å; F337-V341 PolarHBondContact O-N 3.48Å; V341-L344 PolarHBondContact O-N 2.79Å; V341-G345 PolarHBondContact O-N 3.39Å |
| 342 | W | 90.9 | Very high | 88.2 | Confident | 153 Ų | 153 | 64.6 Ų | 64.6 | 58% | 0.58 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 175.7 | 174.2 | 83 | 0 | 0 | 0 | 112.6 | D338 L339 E340 G345 L346 | D338-W342 WeakPolarHBondContact O-CB 3.38Å; D338-W342 PolarHBondContact O-N 3.31Å; L339-W342 PolarHBondContact O-N 2.87Å; E340-W342 VanDerWaalsContact C-N 3.33Å; E340-W342 PolarHBondContact O-N 3.14Å; W342-G345 PolarHBondContact O-N 3.45Å; W342-L346 HydrophobicContact CD2-CD1 3.99Å; W342-L346 HydrophobicContact CE3-CD1 4.12Å; W342-L346 HydrophobicContact CH2-CD1 3.44Å; W342-L346 VanDerWaalsContact CH2-CD1 3.44Å; W342-L346 HydrophobicContact CZ2-CD1 3.28Å; W342-L346 HydrophobicContact CZ2-CG 4.38Å; W342-L346 HydrophobicContact CZ3-CD1 3.86Å; W342-L346 PolarHBondContact O-N 3.2Å; W342-L346 VanDerWaalsContact O-N 3.08Å |
| 343 | A | 87.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L339 E340 L346 H347 L358 P362 | L339-A343 WeakPolarHBondContact O-CB 3.27Å; L339-A343 PolarHBondContact O-N 3.47Å; E340-A343 PolarHBondContact O-N 2.84Å; A343-L346 PolarHBondContact O-N 2.99Å; A343-H347 PolarHBondContact O-N 2.89Å; A343-L358 HydrophobicContact CB-CG 4.5Å; A343-P362 HydrophobicContact CB-CG 3.81Å |
| 344 | L | 86.6 | Confident | 86.6 | Confident | 78 Ų | 78 | 82 Ų | 82 | 41% | 0.408 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 173.3 | -77.2 | 163.4 | 0 | 0 | 0 | 111.5 | E340 V341 L346 H347 E348 L359 | E340-L344 HydrophobicContact CG-CD1 4.41Å; E340-L344 WeakPolarHBondContact O-CG 3.32Å; E340-L344 PolarHBondContact O-N 3.44Å; V341-L344 PolarHBondContact O-N 2.79Å; L344-L346 VanDerWaalsContact C-N 3.3Å; L344-L346 PolarHBondContact O-N 3.41Å; L344-H347 WeakPolarHBondContact O-CB 3.37Å; L344-H347 PolarHBondContact O-N 3.39Å; L344-H347 VanDerWaalsContact O-N 3.13Å; L344-E348 PolarHBondContact O-N 3.21Å; L344-L359 HydrophobicContact CD2-CD2 3.56Å; L344-L359 HydrophobicContact CG-CD2 3.97Å |
| 345 | G | 87.8 | Confident | 86 | Confident | 27 Ų | 27 | 79.5 Ų | 79.5 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -34.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V341 W342 N349 | V341-G345 PolarHBondContact O-N 3.39Å; W342-G345 PolarHBondContact O-N 3.45Å; G345-N349 WeakPolarHBondContact O-CB 3.46Å; G345-N349 VanDerWaalsContact O-CG 3.22Å; G345-N349 PolarHBondContact O-N 3.09Å; G345-N349 PolarHBondContact O-ND2 3.08Å |
| 346 | L | 86.5 | Confident | 85.2 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 28% | 0.283 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 174 | -78.7 | 178.8 | 0 | 0 | 0 | 113 | W342 A343 L344 N349 S350 L358 | W342-L346 HydrophobicContact CD2-CD1 3.99Å; W342-L346 HydrophobicContact CE3-CD1 4.12Å; W342-L346 HydrophobicContact CH2-CD1 3.44Å; W342-L346 VanDerWaalsContact CH2-CD1 3.44Å; W342-L346 HydrophobicContact CZ2-CD1 3.28Å; W342-L346 HydrophobicContact CZ2-CG 4.38Å; W342-L346 HydrophobicContact CZ3-CD1 3.86Å; W342-L346 PolarHBondContact O-N 3.2Å; W342-L346 VanDerWaalsContact O-N 3.08Å; A343-L346 PolarHBondContact O-N 2.99Å; L344-L346 VanDerWaalsContact C-N 3.3Å; L344-L346 PolarHBondContact O-N 3.41Å; L346-N349 PolarHBondContact O-N 3.25Å; L346-S350 WeakPolarHBondContact O-CB 3.4Å; L346-S350 PolarHBondContact O-N 3Å; L346-S350 VanDerWaalsContact O-N 3.11Å; L346-S350 PolarHBondContact O-OG 3.4Å; L346-L358 HydrophobicContact CB-CD2 4.18Å; L346-L358 HydrophobicContact CD1-CD2 3.9Å |
| 347 | H | 85.8 | Confident | 84.8 | Confident | 52 Ų | 52 | 82.2 Ų | 82.2 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.4 | -179.1 | 59 | 0 | 0 | 0 | 111.3 | A343 L344 N349 S350 G351 T355 S356 L359 | A343-H347 PolarHBondContact O-N 2.89Å; L344-H347 WeakPolarHBondContact O-CB 3.37Å; L344-H347 PolarHBondContact O-N 3.39Å; L344-H347 VanDerWaalsContact O-N 3.13Å; H347-N349 VanDerWaalsContact C-N 3.3Å; H347-N349 PolarHBondContact O-N 3.43Å; H347-S350 PolarHBondContact O-N 2.97Å; H347-G351 PolarHBondContact O-N 3.41Å; H347-G351 VanDerWaalsContact O-N 3.09Å; H347-T355 VanDerWaalsContact ND1-C 3.33Å; H347-T355 PolarHBondContact ND1-O 2.94Å; H347-T355 PolarHBondContact ND1-OG1 3.2Å; H347-S356 PolarHBondContact CE1-OG 2.92Å; H347-S356 VanDerWaalsContact CE1-OG 3.27Å; H347-S356 PolarHBondContact ND1-N 3.03Å; H347-L359 HydrophobicContact CB-CD2 4.08Å; H347-L359 HydrophobicContact CB-CG 4.38Å |
| 348 | E | 87.6 | Confident | 84.4 | Confident | 157 Ų | 157 | 84 Ų | 84 | 73% | 0.734 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 176.7 | -72.2 | -175.8 | 168 | 0 | 0 | 112.5 | L344 | L344-E348 PolarHBondContact O-N 3.21Å |
| 349 | N | 88.3 | Confident | 83.9 | Confident | 140 Ų | 140 | 81.3 Ų | 81.3 | 75% | 0.749 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -76.1 | -31.9 | -178.5 | -75.4 | -28.5 | 0 | 0 | 0 | 114.4 | G345 L346 H347 | G345-N349 WeakPolarHBondContact O-CB 3.46Å; G345-N349 VanDerWaalsContact O-CG 3.22Å; G345-N349 PolarHBondContact O-N 3.09Å; G345-N349 PolarHBondContact O-ND2 3.08Å; L346-N349 PolarHBondContact O-N 3.25Å; H347-N349 VanDerWaalsContact C-N 3.3Å; H347-N349 PolarHBondContact O-N 3.43Å |
| 350 | S | 82 | Confident | 83.4 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 43% | 0.427 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -101.7 | -25.6 | -169.7 | -42.6 | 0 | 0 | 0 | 0 | 113.6 | L346 H347 S352 | L346-S350 WeakPolarHBondContact O-CB 3.4Å; L346-S350 PolarHBondContact O-N 3Å; L346-S350 VanDerWaalsContact O-N 3.11Å; L346-S350 PolarHBondContact O-OG 3.4Å; H347-S350 PolarHBondContact O-N 2.97Å; S350-S352 PolarHBondContact O-N 3.42Å; S350-S352 PolarHBondContact O-OG 2.9Å; S350-S352 VanDerWaalsContact O-OG 3.1Å |
| 351 | G | 74.6 | Confident | 83.2 | Confident | 69 Ų | 69 | 87 Ų | 87 | 71% | 0.711 | 46% | 0.459 | S | S | * | . | trans | 58.3 | 7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | H347 | H347-G351 PolarHBondContact O-N 3.41Å; H347-G351 VanDerWaalsContact O-N 3.09Å | ||
| 352 | S | 81.3 | Confident | 83.1 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 43% | 0.434 | 43% | 0.432 | S | S | . | . | trans | -89.9 | 148.9 | -171.7 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | S350 W354 T355 | S350-S352 PolarHBondContact O-N 3.42Å; S350-S352 PolarHBondContact O-OG 2.9Å; S350-S352 VanDerWaalsContact O-OG 3.1Å; S352-W354 PolarHBondContact O-N 3.1Å; S352-W354 VanDerWaalsContact O-N 3.11Å; S352-T355 PolarHBondContact O-N 3.26Å; S352-T355 PolarHBondContact O-OG1 2.93Å | ||
| 353 | E | 77.5 | Confident | 82.6 | Confident | 173 Ų | 173 | 77.6 Ų | 77.6 | 81% | 0.808 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -54.9 | -33 | 178.9 | -64.4 | -177 | 164.7 | 0 | 0 | 113.5 | T355 S356 | E353-T355 VanDerWaalsContact C-N 3.27Å; E353-T355 PolarHBondContact O-N 2.98Å; E353-S356 WeakPolarHBondContact O-CB 3.18Å; E353-S356 PolarHBondContact O-N 2.96Å |
| 354 | W | 78.1 | Confident | 82.3 | Confident | 221 Ų | 221 | 82.3 Ų | 82.3 | 84% | 0.837 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.2 | -29.5 | 174.5 | -72.9 | 96.6 | 0 | 0 | 0 | 113.6 | S352 S356 V357 L358 | S352-W354 PolarHBondContact O-N 3.1Å; S352-W354 VanDerWaalsContact O-N 3.11Å; W354-S356 VanDerWaalsContact C-N 3.33Å; W354-V357 PolarHBondContact O-N 3.38Å; W354-L358 PolarHBondContact O-N 3.48Å |
| 355 | T | 79 | Confident | 82.2 | Confident | 17 Ų | 17 | 82.7 Ų | 82.7 | 10% | 0.104 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -78.3 | -19.6 | 178.8 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | H347 S352 E353 V357 L358 | H347-T355 VanDerWaalsContact ND1-C 3.33Å; H347-T355 PolarHBondContact ND1-O 2.94Å; H347-T355 PolarHBondContact ND1-OG1 3.2Å; S352-T355 PolarHBondContact O-N 3.26Å; S352-T355 PolarHBondContact O-OG1 2.93Å; E353-T355 VanDerWaalsContact C-N 3.27Å; E353-T355 PolarHBondContact O-N 2.98Å; T355-V357 VanDerWaalsContact C-N 3.31Å; T355-L358 WeakPolarHBondContact O-CB 3.5Å; T355-L358 PolarHBondContact O-N 2.93Å |
| 356 | S | 78.3 | Confident | 82.1 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 37% | 0.371 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.9 | -33.3 | 168.6 | -56 | 0 | 0 | 0 | 0 | 112.2 | H347 E353 W354 | H347-S356 PolarHBondContact CE1-OG 2.92Å; H347-S356 VanDerWaalsContact CE1-OG 3.27Å; H347-S356 PolarHBondContact ND1-N 3.03Å; E353-S356 WeakPolarHBondContact O-CB 3.18Å; E353-S356 PolarHBondContact O-N 2.96Å; W354-S356 VanDerWaalsContact C-N 3.33Å |
| 357 | V | 81.3 | Confident | 81.8 | Confident | 89 Ų | 89 | 82 Ų | 82 | 54% | 0.539 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.3 | -34.7 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | W354 T355 L359 Y360 | W354-V357 PolarHBondContact O-N 3.38Å; T355-V357 VanDerWaalsContact C-N 3.31Å; V357-L359 PolarHBondContact O-N 3.19Å; V357-Y360 PolarHBondContact O-N 3.03Å |
| 358 | L | 83 | Confident | 81.7 | Confident | 48 Ų | 48 | 84.1 Ų | 84.1 | 25% | 0.251 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.6 | -30.1 | 179.6 | -172.6 | 64.5 | 0 | 0 | 0 | 112.9 | A343 L346 W354 T355 Y360 V361 P362 | A343-L358 HydrophobicContact CB-CG 4.5Å; L346-L358 HydrophobicContact CB-CD2 4.18Å; L346-L358 HydrophobicContact CD1-CD2 3.9Å; W354-L358 PolarHBondContact O-N 3.48Å; T355-L358 WeakPolarHBondContact O-CB 3.5Å; T355-L358 PolarHBondContact O-N 2.93Å; L358-Y360 PolarHBondContact O-N 3.46Å; L358-V361 HydrophobicContact CD1-CB 4.37Å; L358-V361 HydrophobicContact CD1-CG2 4.29Å; L358-V361 WeakPolarHBondContact O-CB 3.42Å; L358-V361 PolarHBondContact O-N 2.5Å; L358-V361 VanDerWaalsContact O-N 3.1Å; L358-P362 VanDerWaalsContact O-CD 3.22Å; L358-P362 WeakPolarHBondContact O-CD 3.43Å |
| 359 | L | 80.1 | Confident | 81.7 | Confident | 50 Ų | 50 | 79 Ų | 79 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30.3 | 178.1 | -66.7 | 170.7 | 0 | 0 | 0 | 113.4 | L344 H347 V357 | L344-L359 HydrophobicContact CD2-CD2 3.56Å; L344-L359 HydrophobicContact CG-CD2 3.97Å; H347-L359 HydrophobicContact CB-CD2 4.08Å; H347-L359 HydrophobicContact CB-CG 4.38Å; V357-L359 PolarHBondContact O-N 3.19Å |
| 360 | Y | 79.4 | Confident | 81.6 | Confident | 164 Ų | 164 | 73.2 Ų | 73.2 | 64% | 0.643 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -16 | 179.4 | -60 | -73.4 | 0 | 0 | 0 | 113.3 | V357 L358 S363 I364 | V357-Y360 PolarHBondContact O-N 3.03Å; L358-Y360 PolarHBondContact O-N 3.46Å; Y360-S363 PolarHBondContact O-N 3.46Å; Y360-I364 WeakPolarHBondContact O-CG1 3.38Å; Y360-I364 PolarHBondContact O-N 2.74Å; Y360-I364 VanDerWaalsContact O-N 3.13Å |
| 361 | V | 83.6 | Confident | 81.5 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.7 | -47.8 | -173.3 | 174.9 | 0 | 0 | 0 | 0 | 112.4 | L358 S363 I364 I365 | L358-V361 HydrophobicContact CD1-CB 4.37Å; L358-V361 HydrophobicContact CD1-CG2 4.29Å; L358-V361 WeakPolarHBondContact O-CB 3.42Å; L358-V361 PolarHBondContact O-N 2.5Å; L358-V361 VanDerWaalsContact O-N 3.1Å; V361-S363 VanDerWaalsContact C-N 3.31Å; V361-S363 PolarHBondContact O-N 2.93Å; V361-I364 PolarHBondContact O-N 3.39Å; V361-I365 HydrophobicContact CG1-CD1 3.64Å; V361-I365 HydrophobicContact CG1-CG1 4.25Å; V361-I365 WeakPolarHBondContact O-CG1 3.17Å; V361-I365 PolarHBondContact O-N 2.73Å |
| 362 | P | 86.2 | Confident | 82.1 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.8 | -42.5 | 177.6 | -26.2 | 35 | 0 | 0 | 0 | 113.1 | Y336 L339 A343 L358 I365 Y366 | Y336-P362 HydrophobicContact CD2-CB 4.44Å; Y336-P362 HydrophobicContact CE2-CB 4.3Å; L339-P362 HydrophobicContact CB-CB 4.28Å; A343-P362 HydrophobicContact CB-CG 3.81Å; L358-P362 VanDerWaalsContact O-CD 3.22Å; L358-P362 WeakPolarHBondContact O-CD 3.43Å; P362-I365 PolarHBondContact O-N 3.07Å; P362-Y366 WeakPolarHBondContact O-CB 3.14Å; P362-Y366 PolarHBondContact O-N 3.48Å |
| 363 | S | 80.8 | Confident | 82.6 | Confident | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | -179.9 | -47.3 | 0 | 0 | 0 | 0 | 112.2 | Y360 V361 Y366 A367 | Y360-S363 PolarHBondContact O-N 3.46Å; V361-S363 VanDerWaalsContact C-N 3.31Å; V361-S363 PolarHBondContact O-N 2.93Å; S363-Y366 PolarHBondContact O-N 2.84Å; S363-A367 WeakPolarHBondContact O-CB 3.41Å; S363-A367 PolarHBondContact O-N 3.36Å |
| 364 | I | 80.7 | Confident | 83.1 | Confident | 101 Ų | 101 | 66 Ų | 66 | 52% | 0.518 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 174.6 | -66.9 | 166.6 | 0 | 0 | 0 | 110.7 | Y360 V361 Y366 A367 I368 | Y360-I364 WeakPolarHBondContact O-CG1 3.38Å; Y360-I364 PolarHBondContact O-N 2.74Å; Y360-I364 VanDerWaalsContact O-N 3.13Å; V361-I364 PolarHBondContact O-N 3.39Å; I364-Y366 VanDerWaalsContact C-N 3.33Å; I364-Y366 PolarHBondContact O-N 3.45Å; I364-A367 PolarHBondContact O-N 3.37Å; I364-I368 HydrophobicContact CG2-CD1 4.06Å; I364-I368 WeakPolarHBondContact O-CG1 3.49Å; I364-I368 PolarHBondContact O-N 2.91Å; I364-I368 VanDerWaalsContact O-N 3.1Å |
| 365 | I | 85.3 | Confident | 83.6 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 44% | 0.436 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 177 | -68.3 | 170.3 | 0 | 0 | 0 | 110 | V361 P362 A367 I368 V369 | V361-I365 HydrophobicContact CG1-CD1 3.64Å; V361-I365 HydrophobicContact CG1-CG1 4.25Å; V361-I365 WeakPolarHBondContact O-CG1 3.17Å; V361-I365 PolarHBondContact O-N 2.73Å; P362-I365 PolarHBondContact O-N 3.07Å; I365-A367 PolarHBondContact O-N 2.9Å; I365-I368 PolarHBondContact O-N 3.38Å; I365-V369 HydrophobicContact CG2-CG2 4.25Å; I365-V369 VanDerWaalsContact O-CG2 3.31Å; I365-V369 WeakPolarHBondContact O-CG2 3.26Å; I365-V369 PolarHBondContact O-N 3.09Å |
| 366 | Y | 85.1 | Confident | 84.3 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 7% | 0.071 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 179.9 | -178 | -126.5 | 0 | 0 | 0 | 112.4 | V332 Y336 P362 S363 I364 I368 V369 I370 | V332-Y366 HydrophobicContact CG1-CE2 4.39Å; Y336-Y366 HydrophobicContact CD1-CD1 4.05Å; Y336-Y366 HydrophobicContact CD1-CE1 4.15Å; Y336-Y366 HydrophobicContact CD1-CG 4.34Å; Y336-Y366 VanDerWaalsContact CD2-CB 3.43Å; Y336-Y366 AromaticContact CD2-CD1 3.89Å; Y336-Y366 HydrophobicContact CD2-CD1 3.89Å; Y336-Y366 HydrophobicContact CD2-CD2 4.34Å; Y336-Y366 AromaticContact CD2-CG 3.65Å; Y336-Y366 HydrophobicContact CD2-CG 3.65Å; Y336-Y366 HydrophobicContact CE1-CD1 4.31Å; Y336-Y366 HydrophobicContact CE2-CD1 4.14Å; Y336-Y366 HydrophobicContact CE2-CG 4.27Å; Y336-Y366 AromaticContact CG-CD1 3.82Å; Y336-Y366 HydrophobicContact CG-CD1 3.82Å; Y336-Y366 HydrophobicContact CG-CD2 4.01Å; Y336-Y366 HydrophobicContact CG-CE1 4.28Å; Y336-Y366 HydrophobicContact CG-CE2 4.47Å; Y336-Y366 AromaticContact CG-CG 3.67Å; Y336-Y366 HydrophobicContact CG-CG 3.67Å; P362-Y366 WeakPolarHBondContact O-CB 3.14Å; P362-Y366 PolarHBondContact O-N 3.48Å; S363-Y366 PolarHBondContact O-N 2.84Å; I364-Y366 VanDerWaalsContact C-N 3.33Å; I364-Y366 PolarHBondContact O-N 3.45Å; Y366-I368 VanDerWaalsContact C-N 3.34Å; Y366-I368 PolarHBondContact O-N 3.45Å; Y366-V369 PolarHBondContact O-N 3.47Å; Y366-I370 HydrophobicContact CD1-CD1 3.78Å; Y366-I370 HydrophobicContact CD2-CD1 4.26Å; Y366-I370 HydrophobicContact CD2-CG1 4.3Å; Y366-I370 HydrophobicContact CE1-CD1 3.43Å; Y366-I370 VanDerWaalsContact CE1-CD1 3.43Å; Y366-I370 HydrophobicContact CE1-CG1 4.36Å; Y366-I370 HydrophobicContact CE2-CD1 3.93Å; Y366-I370 HydrophobicContact CE2-CG1 3.95Å; Y366-I370 HydrophobicContact CG-CD1 4.18Å; Y366-I370 WeakPolarHBondContact O-CG1 3.5Å; Y366-I370 PolarHBondContact O-N 3.3Å |
| 367 | A | 80 | Confident | 85.1 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S363 I364 I365 I370 E371 | S363-A367 WeakPolarHBondContact O-CB 3.41Å; S363-A367 PolarHBondContact O-N 3.36Å; I364-A367 PolarHBondContact O-N 3.37Å; I365-A367 PolarHBondContact O-N 2.9Å; A367-I370 PolarHBondContact O-N 3.42Å; A367-E371 PolarHBondContact O-N 2.96Å |
| 368 | I | 82.9 | Confident | 85.6 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.7 | -65.5 | 167 | 0 | 0 | 0 | 110.9 | I364 I365 Y366 E371 I372 | I364-I368 HydrophobicContact CG2-CD1 4.06Å; I364-I368 WeakPolarHBondContact O-CG1 3.49Å; I364-I368 PolarHBondContact O-N 2.91Å; I364-I368 VanDerWaalsContact O-N 3.1Å; I365-I368 PolarHBondContact O-N 3.38Å; Y366-I368 VanDerWaalsContact C-N 3.34Å; Y366-I368 PolarHBondContact O-N 3.45Å; I368-E371 PolarHBondContact O-N 3.27Å; I368-I372 HydrophobicContact CG2-CD1 3.89Å; I368-I372 WeakPolarHBondContact O-CG1 3.35Å; I368-I372 PolarHBondContact O-N 3.18Å; I368-I372 VanDerWaalsContact O-N 3.08Å |
| 369 | V | 88.2 | Confident | 86.1 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 178.4 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | V332 I365 Y366 E371 I372 M373 | V332-V369 HydrophobicContact CG1-CG1 3.8Å; I365-V369 HydrophobicContact CG2-CG2 4.25Å; I365-V369 VanDerWaalsContact O-CG2 3.31Å; I365-V369 WeakPolarHBondContact O-CG2 3.26Å; I365-V369 PolarHBondContact O-N 3.09Å; Y366-V369 PolarHBondContact O-N 3.47Å; V369-E371 VanDerWaalsContact C-N 3.32Å; V369-E371 PolarHBondContact O-N 3.42Å; V369-I372 PolarHBondContact O-N 3.45Å; V369-M373 HydrophobicContact CG1-CG 4.2Å; V369-M373 HydrophobicContact CG1-SD 3.81Å; V369-M373 WeakPolarHBondContact O-CB 3.18Å; V369-M373 VanDerWaalsContact O-CG 3.28Å; V369-M373 WeakPolarHBondContact O-CG 3.26Å; V369-M373 PolarHBondContact O-N 2.9Å |
| 370 | I | 85.6 | Confident | 86.8 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.1 | -49 | 175.2 | -77.5 | 164.8 | 0 | 0 | 0 | 110.6 | Y366 A367 I372 M373 N374 | Y366-I370 HydrophobicContact CD1-CD1 3.78Å; Y366-I370 HydrophobicContact CD2-CD1 4.26Å; Y366-I370 HydrophobicContact CD2-CG1 4.3Å; Y366-I370 HydrophobicContact CE1-CD1 3.43Å; Y366-I370 VanDerWaalsContact CE1-CD1 3.43Å; Y366-I370 HydrophobicContact CE1-CG1 4.36Å; Y366-I370 HydrophobicContact CE2-CD1 3.93Å; Y366-I370 HydrophobicContact CE2-CG1 3.95Å; Y366-I370 HydrophobicContact CG-CD1 4.18Å; Y366-I370 WeakPolarHBondContact O-CG1 3.5Å; Y366-I370 PolarHBondContact O-N 3.3Å; A367-I370 PolarHBondContact O-N 3.42Å; I370-I372 PolarHBondContact O-N 2.89Å; I370-M373 PolarHBondContact O-N 2.72Å; I370-N374 WeakPolarHBondContact O-CB 3.23Å; I370-N374 PolarHBondContact O-N 3.19Å; I370-N374 PolarHBondContact O-OD1 3.34Å |
| 371 | E | 81.4 | Confident | 87.6 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | -177.8 | -178.4 | 56.9 | -160.4 | 0 | 0 | 112 | A367 I368 V369 N374 R375 | A367-E371 PolarHBondContact O-N 2.96Å; I368-E371 PolarHBondContact O-N 3.27Å; V369-E371 VanDerWaalsContact C-N 3.32Å; V369-E371 PolarHBondContact O-N 3.42Å; E371-N374 PolarHBondContact O-N 3.4Å; E371-R375 WeakPolarHBondContact O-CG 3.45Å; E371-R375 PolarHBondContact O-N 3.47Å; E371-R375 VanDerWaalsContact O-N 3.16Å; E371-R375 IonicContact OE1-CZ 2.74Å; E371-R375 IonicContact OE1-NE 3.26Å; E371-R375 PolarHBondContact OE1-NE 3.02Å; E371-R375 IonicContact OE1-NH2 2.82Å; E371-R375 PolarHBondContact OE1-NH2 2.91Å |
| 372 | I | 87.6 | Confident | 88 | Confident | 90 Ų | 90 | 59 Ų | 59 | 46% | 0.462 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.2 | -67.3 | 169.2 | 0 | 0 | 0 | 110.5 | I368 V369 I370 R375 L376 | I368-I372 HydrophobicContact CG2-CD1 3.89Å; I368-I372 WeakPolarHBondContact O-CG1 3.35Å; I368-I372 PolarHBondContact O-N 3.18Å; I368-I372 VanDerWaalsContact O-N 3.08Å; V369-I372 PolarHBondContact O-N 3.45Å; I370-I372 PolarHBondContact O-N 2.89Å; I372-R375 PolarHBondContact O-N 2.82Å; I372-L376 HydrophobicContact CG2-CD1 3.83Å; I372-L376 HydrophobicContact CG2-CG 4.29Å; I372-L376 WeakPolarHBondContact O-CB 3.35Å; I372-L376 VanDerWaalsContact O-CG 3.32Å; I372-L376 WeakPolarHBondContact O-CG 3.34Å; I372-L376 PolarHBondContact O-N 3.42Å |
| 373 | M | 90.8 | Very high | 88.4 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 179.1 | -75.3 | -178 | 64.2 | 0 | 0 | 112.3 | F328 V332 V369 I370 R375 L376 Y377 F407 | F328-M373 HydrophobicContact CD1-CE 3.66Å; F328-M373 HydrophobicContact CE1-CE 3.72Å; F328-M373 HydrophobicContact CE1-SD 4.26Å; V332-M373 HydrophobicContact CB-SD 4.23Å; V332-M373 HydrophobicContact CG1-SD 4Å; V332-M373 HydrophobicContact CG2-CE 4.33Å; V332-M373 HydrophobicContact CG2-SD 4.04Å; V369-M373 HydrophobicContact CG1-CG 4.2Å; V369-M373 HydrophobicContact CG1-SD 3.81Å; V369-M373 WeakPolarHBondContact O-CB 3.18Å; V369-M373 VanDerWaalsContact O-CG 3.28Å; V369-M373 WeakPolarHBondContact O-CG 3.26Å; V369-M373 PolarHBondContact O-N 2.9Å; I370-M373 PolarHBondContact O-N 2.72Å; M373-R375 VanDerWaalsContact C-N 3.34Å; M373-R375 PolarHBondContact O-N 3.5Å; M373-L376 PolarHBondContact O-N 2.99Å; M373-Y377 VanDerWaalsContact O-CB 3.24Å; M373-Y377 WeakPolarHBondContact O-CB 3.48Å; M373-Y377 PolarHBondContact O-N 3.36Å; M373-F407 HydrophobicContact CB-CZ 4.26Å; M373-F407 HydrophobicContact CE-CZ 4.04Å |
| 374 | N | 88.6 | Confident | 89.1 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 177.2 | -70.3 | -11.6 | 0 | 0 | 0 | 111.2 | I370 E371 R378 F407 N408 N411 | I370-N374 WeakPolarHBondContact O-CB 3.23Å; I370-N374 PolarHBondContact O-N 3.19Å; I370-N374 PolarHBondContact O-OD1 3.34Å; E371-N374 PolarHBondContact O-N 3.4Å; N374-R378 WeakPolarHBondContact O-CB 3.18Å; N374-R378 PolarHBondContact O-N 2.91Å; N374-F407 WeakPolarHBondContact OD1-CE1 3.23Å; N374-N408 PolarHBondContact OD1-OD1 2.91Å; N374-N411 PolarHBondContact OD1-ND2 3.39Å |
| 375 | R | 87.8 | Confident | 89.8 | Confident | 136 Ų | 136 | 59 Ų | 59 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 176.9 | -69.6 | 176.6 | -173.8 | -106.4 | -6.5 | 112.3 | E371 I372 M373 Y377 R378 Y379 | E371-R375 WeakPolarHBondContact O-CG 3.45Å; E371-R375 PolarHBondContact O-N 3.47Å; E371-R375 VanDerWaalsContact O-N 3.16Å; E371-R375 IonicContact OE1-CZ 2.74Å; E371-R375 IonicContact OE1-NE 3.26Å; E371-R375 PolarHBondContact OE1-NE 3.02Å; E371-R375 IonicContact OE1-NH2 2.82Å; E371-R375 PolarHBondContact OE1-NH2 2.91Å; I372-R375 PolarHBondContact O-N 2.82Å; M373-R375 VanDerWaalsContact C-N 3.34Å; M373-R375 PolarHBondContact O-N 3.5Å; R375-Y377 VanDerWaalsContact C-N 3.34Å; R375-Y377 PolarHBondContact O-N 3.36Å; R375-R378 WeakPolarHBondContact O-CB 3.42Å; R375-R378 PolarHBondContact O-N 3.36Å; R375-Y379 WeakPolarHBondContact O-CD2 3.23Å; R375-Y379 PolarHBondContact O-N 3.13Å; R375-Y379 VanDerWaalsContact O-N 3.16Å |
| 376 | L | 93.1 | Very high | 90.1 | Very high | 112 Ų | 112 | 57.2 Ų | 57.2 | 59% | 0.586 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 177.9 | -71.1 | 176.1 | 0 | 0 | 0 | 111.6 | I372 M373 Y379 A380 | I372-L376 HydrophobicContact CG2-CD1 3.83Å; I372-L376 HydrophobicContact CG2-CG 4.29Å; I372-L376 WeakPolarHBondContact O-CB 3.35Å; I372-L376 VanDerWaalsContact O-CG 3.32Å; I372-L376 WeakPolarHBondContact O-CG 3.34Å; I372-L376 PolarHBondContact O-N 3.42Å; M373-L376 PolarHBondContact O-N 2.99Å; L376-Y379 PolarHBondContact O-N 2.94Å; L376-A380 PolarHBondContact O-N 3.19Å |
| 377 | Y | 95.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 60.9 Ų | 60.9 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 177.3 | -176.4 | -93.5 | 0 | 0 | 0 | 111.8 | F321 V322 C325 M373 R375 Y379 A380 A381 K403 F407 | F321-Y377 HydrophobicContact CE1-CE2 4.46Å; V322-Y377 WeakPolarHBondContact CG2-OH 3.09Å; C325-Y377 HydrophobicContact CB-CD2 3.83Å; C325-Y377 HydrophobicContact CB-CE2 3.64Å; M373-Y377 VanDerWaalsContact O-CB 3.24Å; M373-Y377 WeakPolarHBondContact O-CB 3.48Å; M373-Y377 PolarHBondContact O-N 3.36Å; R375-Y377 VanDerWaalsContact C-N 3.34Å; R375-Y377 PolarHBondContact O-N 3.36Å; Y377-Y379 PolarHBondContact O-N 2.91Å; Y377-A380 PolarHBondContact O-N 3.06Å; Y377-A381 HydrophobicContact CD1-CB 4.34Å; Y377-A381 HydrophobicContact CE1-CB 3.99Å; Y377-A381 VanDerWaalsContact O-CB 3.28Å; Y377-A381 WeakPolarHBondContact O-CB 3.43Å; Y377-A381 PolarHBondContact O-N 3.3Å; Y377-K403 WeakPolarHBondContact CE1-O 3.24Å; Y377-K403 PolarHBondContact OH-O 3.5Å; Y377-F407 HydrophobicContact CD1-CB 3.55Å; Y377-F407 AromaticContact CD1-CD1 3.53Å; Y377-F407 HydrophobicContact CD1-CD1 3.53Å; Y377-F407 HydrophobicContact CD1-CD2 4.19Å; Y377-F407 HydrophobicContact CD1-CE1 4.28Å; Y377-F407 AromaticContact CD1-CG 3.47Å; Y377-F407 HydrophobicContact CD1-CG 3.47Å; Y377-F407 VanDerWaalsContact CD1-CG 3.47Å; Y377-F407 HydrophobicContact CD2-CB 4.36Å; Y377-F407 HydrophobicContact CD2-CD1 4.22Å; Y377-F407 AromaticContact CD2-CD2 3.62Å; Y377-F407 HydrophobicContact CD2-CD2 3.62Å; Y377-F407 HydrophobicContact CD2-CE1 4.45Å; Y377-F407 AromaticContact CD2-CE2 3.89Å; Y377-F407 HydrophobicContact CD2-CE2 3.89Å; Y377-F407 AromaticContact CD2-CG 3.79Å; Y377-F407 HydrophobicContact CD2-CG 3.79Å; Y377-F407 HydrophobicContact CD2-CZ 4.3Å; Y377-F407 HydrophobicContact CE1-CB 3.3Å; Y377-F407 HydrophobicContact CE1-CD1 4.22Å; Y377-F407 HydrophobicContact CE1-CD2 4.36Å; Y377-F407 AromaticContact CE1-CG 3.72Å; Y377-F407 HydrophobicContact CE1-CG 3.72Å; Y377-F407 HydrophobicContact CE2-CB 4.14Å; Y377-F407 AromaticContact CE2-CD2 3.79Å; Y377-F407 HydrophobicContact CE2-CD2 3.79Å; Y377-F407 HydrophobicContact CE2-CE2 4.44Å; Y377-F407 AromaticContact CE2-CG 3.99Å; Y377-F407 HydrophobicContact CE2-CG 3.99Å; Y377-F407 HydrophobicContact CG-CB 4.08Å; Y377-F407 AromaticContact CG-CD1 3.52Å; Y377-F407 HydrophobicContact CG-CD1 3.52Å; Y377-F407 AromaticContact CG-CD2 3.81Å; Y377-F407 HydrophobicContact CG-CD2 3.81Å; Y377-F407 AromaticContact CG-CE1 3.84Å; Y377-F407 HydrophobicContact CG-CE1 3.84Å; Y377-F407 HydrophobicContact CG-CE2 4.1Å; Y377-F407 AromaticContact CG-CG 3.5Å; Y377-F407 HydrophobicContact CG-CG 3.5Å; Y377-F407 HydrophobicContact CG-CZ 4.11Å; Y377-F407 AromaticContact CZ-CG 3.95Å |
| 378 | R | 91.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.7 | -49.1 | 174.8 | -179.5 | 63.5 | 172.2 | -93.6 | 2 | 111.5 | N374 R375 A380 A381 E382 D496 | N374-R378 WeakPolarHBondContact O-CB 3.18Å; N374-R378 PolarHBondContact O-N 2.91Å; R375-R378 WeakPolarHBondContact O-CB 3.42Å; R375-R378 PolarHBondContact O-N 3.36Å; R378-A380 VanDerWaalsContact C-N 3.34Å; R378-A380 PolarHBondContact O-N 3.43Å; R378-A381 PolarHBondContact O-N 3.46Å; R378-E382 IonicContact CZ-OE1 3.96Å; R378-E382 IonicContact NE-OE1 2.9Å; R378-E382 PolarHBondContact NE-OE1 3.39Å; R378-E382 IonicContact NH2-OE1 3.9Å; R378-E382 WeakPolarHBondContact O-CG 3.46Å; R378-E382 PolarHBondContact O-N 2.84Å; R378-D496 IonicContact CZ-OD1 3.61Å; R378-D496 IonicContact NH1-OD1 3.56Å; R378-D496 PolarHBondContact NH1-OD1 2.7Å; R378-D496 IonicContact NH1-OD2 2.7Å; R378-D496 IonicContact NH2-OD2 2.71Å |
| 379 | Y | 93.6 | Very high | 91.7 | Very high | 158 Ų | 158 | 54 Ų | 54 | 62% | 0.62 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 175.9 | -69.1 | -58.8 | 0 | 0 | 0 | 112.3 | R375 L376 Y377 E382 F383 | R375-Y379 WeakPolarHBondContact O-CD2 3.23Å; R375-Y379 PolarHBondContact O-N 3.13Å; R375-Y379 VanDerWaalsContact O-N 3.16Å; L376-Y379 PolarHBondContact O-N 2.94Å; Y377-Y379 PolarHBondContact O-N 2.91Å; Y379-E382 PolarHBondContact O-N 3.48Å; Y379-F383 WeakPolarHBondContact O-CB 3.17Å; Y379-F383 PolarHBondContact O-N 3.16Å |
| 380 | A | 95.4 | Very high | 91.8 | Very high | 30 Ų | 30 | 52 Ų | 52 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F321 L376 Y377 R378 F383 L384 | F321-A380 HydrophobicContact CE1-CB 3.98Å; F321-A380 HydrophobicContact CZ-CB 3.84Å; L376-A380 PolarHBondContact O-N 3.19Å; Y377-A380 PolarHBondContact O-N 3.06Å; R378-A380 VanDerWaalsContact C-N 3.34Å; R378-A380 PolarHBondContact O-N 3.43Å; A380-F383 PolarHBondContact O-N 2.91Å; A380-L384 WeakPolarHBondContact O-CB 3.22Å; A380-L384 PolarHBondContact O-N 3.18Å |
| 381 | A | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y377 R378 T385 L400 K403 V404 | Y377-A381 HydrophobicContact CD1-CB 4.34Å; Y377-A381 HydrophobicContact CE1-CB 3.99Å; Y377-A381 VanDerWaalsContact O-CB 3.28Å; Y377-A381 WeakPolarHBondContact O-CB 3.43Å; Y377-A381 PolarHBondContact O-N 3.3Å; R378-A381 PolarHBondContact O-N 3.46Å; A381-T385 WeakPolarHBondContact O-CB 3.23Å; A381-T385 PolarHBondContact O-N 3.5Å; A381-T385 PolarHBondContact O-OG1 3.14Å; A381-L400 HydrophobicContact CB-CD1 3.92Å; A381-K403 HydrophobicContact CB-CB 4.32Å; A381-V404 HydrophobicContact CB-CG2 3.9Å |
| 382 | E | 92.8 | Very high | 92.1 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -48 | 172.9 | -75.3 | 175 | -174.6 | 0 | 0 | 111.2 | R378 Y379 T385 S386 L400 | R378-E382 IonicContact CZ-OE1 3.96Å; R378-E382 IonicContact NE-OE1 2.9Å; R378-E382 PolarHBondContact NE-OE1 3.39Å; R378-E382 IonicContact NH2-OE1 3.9Å; R378-E382 WeakPolarHBondContact O-CG 3.46Å; R378-E382 PolarHBondContact O-N 2.84Å; Y379-E382 PolarHBondContact O-N 3.48Å; E382-T385 PolarHBondContact O-N 2.89Å; E382-S386 VanDerWaalsContact O-CB 3.3Å; E382-S386 WeakPolarHBondContact O-CB 3.29Å; E382-S386 PolarHBondContact O-N 2.95Å; E382-S386 PolarHBondContact O-OG 3.34Å; E382-L400 HydrophobicContact CB-CD1 4.49Å; E382-L400 HydrophobicContact CG-CD1 3.81Å; E382-L400 HydrophobicContact CG-CD2 3.9Å |
| 383 | F | 94.6 | Very high | 91.9 | Very high | 142 Ų | 142 | 50.7 Ų | 50.7 | 62% | 0.623 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.4 | -51.3 | 175.7 | 176.2 | -99.3 | 0 | 0 | 0 | 111.5 | Y379 A380 T385 S386 W387 | Y379-F383 WeakPolarHBondContact O-CB 3.17Å; Y379-F383 PolarHBondContact O-N 3.16Å; A380-F383 PolarHBondContact O-N 2.91Å; F383-T385 PolarHBondContact O-N 3.22Å; F383-S386 PolarHBondContact O-N 3.08Å; F383-S386 PolarHBondContact O-OG 3.16Å; F383-W387 WeakPolarHBondContact O-CB 3.41Å; F383-W387 PolarHBondContact O-N 3.42Å |
| 384 | L | 95.7 | Very high | 91.4 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | -178.1 | -172.3 | 63 | 0 | 0 | 0 | 112.2 | V317 S318 F321 A380 S386 W387 E388 K403 | V317-L384 HydrophobicContact CG1-CD1 4.34Å; S318-L384 VanDerWaalsContact OG-CD2 3.27Å; S318-L384 WeakPolarHBondContact OG-CD2 3.31Å; F321-L384 HydrophobicContact CB-CD2 4.27Å; F321-L384 HydrophobicContact CD1-CD2 3.51Å; F321-L384 HydrophobicContact CE1-CD2 4.21Å; F321-L384 HydrophobicContact CG-CD2 4.16Å; A380-L384 WeakPolarHBondContact O-CB 3.22Å; A380-L384 PolarHBondContact O-N 3.18Å; L384-S386 VanDerWaalsContact C-N 3.3Å; L384-S386 PolarHBondContact O-N 3.19Å; L384-W387 WeakPolarHBondContact O-CB 3.48Å; L384-W387 PolarHBondContact O-N 3.49Å; L384-W387 VanDerWaalsContact O-N 3.17Å; L384-E388 WeakPolarHBondContact O-CG 3.35Å; L384-E388 PolarHBondContact O-N 2.95Å; L384-K403 HydrophobicContact CD2-CD 4.48Å |
| 385 | T | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.6 | -30.8 | 178.3 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | A381 E382 F383 Y396 H399 L400 K403 | A381-T385 WeakPolarHBondContact O-CB 3.23Å; A381-T385 PolarHBondContact O-N 3.5Å; A381-T385 PolarHBondContact O-OG1 3.14Å; E382-T385 PolarHBondContact O-N 2.89Å; F383-T385 PolarHBondContact O-N 3.22Å; T385-Y396 HydrophobicContact CG2-CD2 3.62Å; T385-Y396 HydrophobicContact CG2-CE2 3.77Å; T385-Y396 HydrophobicContact CG2-CG 4.3Å; T385-Y396 WeakPolarHBondContact CG2-O 3.49Å; T385-H399 HydrophobicContact CG2-CB 4.03Å; T385-L400 HydrophobicContact CG2-CB 4.2Å; T385-K403 PolarHBondContact OG1-NZ 3.14Å |
| 386 | S | 91.6 | Very high | 91.4 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.3 | -38.6 | 171.9 | 81.4 | 0 | 0 | 0 | 0 | 111.3 | E382 F383 L384 N389 | E382-S386 VanDerWaalsContact O-CB 3.3Å; E382-S386 WeakPolarHBondContact O-CB 3.29Å; E382-S386 PolarHBondContact O-N 2.95Å; E382-S386 PolarHBondContact O-OG 3.34Å; F383-S386 PolarHBondContact O-N 3.08Å; F383-S386 PolarHBondContact O-OG 3.16Å; L384-S386 VanDerWaalsContact C-N 3.3Å; L384-S386 PolarHBondContact O-N 3.19Å; S386-N389 PolarHBondContact O-N 3.07Å; S386-N389 VanDerWaalsContact O-N 3.15Å |
| 387 | W | 93.5 | Very high | 91.1 | Very high | 94 Ų | 94 | 44.5 Ų | 44.5 | 36% | 0.356 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.2 | -28.9 | 177.8 | -178.8 | 87.9 | 0 | 0 | 0 | 113.5 | R313 V317 F383 L384 N389 | R313-W387 HydrophobicContact CB-CE3 4.16Å; R313-W387 HydrophobicContact CB-CH2 3.94Å; R313-W387 HydrophobicContact CB-CZ3 3.45Å; R313-W387 VanDerWaalsContact CB-CZ3 3.45Å; R313-W387 HydrophobicContact CG-CE3 4.24Å; R313-W387 HydrophobicContact CG-CH2 3.47Å; R313-W387 VanDerWaalsContact CG-CH2 3.47Å; R313-W387 HydrophobicContact CG-CZ2 4.2Å; R313-W387 HydrophobicContact CG-CZ3 3.49Å; R313-W387 VanDerWaalsContact CG-CZ3 3.49Å; R313-W387 PolarHBondContact NH1-O 3.32Å; V317-W387 HydrophobicContact CB-CH2 4.18Å; V317-W387 HydrophobicContact CB-CZ3 3.92Å; V317-W387 HydrophobicContact CG1-CH2 4.28Å; V317-W387 HydrophobicContact CG1-CZ3 4.02Å; V317-W387 HydrophobicContact CG2-CH2 3.93Å; V317-W387 HydrophobicContact CG2-CZ3 4.17Å; F383-W387 WeakPolarHBondContact O-CB 3.41Å; F383-W387 PolarHBondContact O-N 3.42Å; L384-W387 WeakPolarHBondContact O-CB 3.48Å; L384-W387 PolarHBondContact O-N 3.49Å; L384-W387 VanDerWaalsContact O-N 3.17Å; W387-N389 PolarHBondContact O-N 2.82Å; W387-N389 VanDerWaalsContact O-N 3.12Å |
| 388 | E | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.4 | 170.2 | -73.8 | 165.2 | -160.6 | 0 | 0 | 112.8 | R310 I314 S318 L384 H390 K403 | R310-E388 WeakPolarHBondContact CG-O 3.39Å; I314-E388 HydrophobicContact CG1-CB 4.36Å; I314-E388 HydrophobicContact CG1-CG 3.82Å; S318-E388 WeakPolarHBondContact CB-OE1 2.8Å; S318-E388 PolarHBondContact OG-OE1 3.38Å; L384-E388 WeakPolarHBondContact O-CG 3.35Å; L384-E388 PolarHBondContact O-N 2.95Å; E388-H390 IonicContact OE2-CD2 3.75Å; E388-H390 IonicContact OE2-CE1 2.67Å; E388-H390 IonicContact OE2-NE2 3.37Å; E388-H390 PolarHBondContact OE2-NE2 2.88Å; E388-K403 VanDerWaalsContact CD-NZ 3.3Å; E388-K403 WeakPolarHBondContact OE1-CE 3.37Å; E388-K403 IonicContact OE1-NZ 3.75Å; E388-K403 PolarHBondContact OE1-NZ 3.33Å; E388-K403 IonicContact OE2-NZ 3.25Å; E388-K403 PolarHBondContact OE2-NZ 3.14Å |
| 389 | N | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 55.2 | 174.6 | -169.4 | 42.5 | 0 | 0 | 0 | 112.4 | F288 H289 Y305 S386 W387 | F288-N389 VanDerWaalsContact CA-OD1 3.3Å; F288-N389 WeakPolarHBondContact CA-OD1 3.27Å; F288-N389 WeakPolarHBondContact CD2-O 2.89Å; F288-N389 VanDerWaalsContact CD2-OD1 3.25Å; F288-N389 WeakPolarHBondContact CD2-OD1 3.43Å; F288-N389 WeakPolarHBondContact CE2-O 3.37Å; H289-N389 PolarHBondContact N-OD1 3.44Å; H289-N389 PolarHBondContact O-ND2 2.79Å; Y305-N389 WeakPolarHBondContact CD2-ND2 3.33Å; Y305-N389 VanDerWaalsContact CG-ND2 3.28Å; S386-N389 PolarHBondContact O-N 3.07Å; S386-N389 VanDerWaalsContact O-N 3.15Å; W387-N389 PolarHBondContact O-N 2.82Å; W387-N389 VanDerWaalsContact O-N 3.12Å |
| 390 | H | 91.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -63.4 | 138.6 | 172.4 | -72.5 | -71.1 | 0 | 0 | 0 | 111.1 | R285 F288 E388 H399 | R285-H390 WeakPolarHBondContact CD-O 3.25Å; R285-H390 WeakPolarHBondContact CG-O 3.2Å; F288-H390 WeakPolarHBondContact CD2-O 3.24Å; E388-H390 IonicContact OE2-CD2 3.75Å; E388-H390 IonicContact OE2-CE1 2.67Å; E388-H390 IonicContact OE2-NE2 3.37Å; E388-H390 PolarHBondContact OE2-NE2 2.88Å; H390-H399 AromaticContact CE1-CD2 3.67Å; H390-H399 AromaticContact CE1-CE1 3.59Å; H390-H399 AromaticContact CE1-CG 3.51Å; H390-H399 AromaticContact CE1-ND1 3.46Å; H390-H399 PolarHBondContact CE1-ND1 3.05Å; H390-H399 AromaticContact CE1-NE2 3.7Å; H390-H399 AromaticContact NE2-CD2 3.97Å; H390-H399 AromaticContact NE2-CG 3.64Å; H390-H399 AromaticContact NE2-ND1 3.95Å | ||
| 391 | R | 87.2 | Confident | 90.3 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 19% | 0.185 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -72 | -45.4 | 178.3 | -175.3 | -178.4 | 174.6 | -74.2 | -8.2 | 111.3 | E282 P284 R285 F288 N295 E302 | E282-R391 PolarHBondContact O-NH1 2.94Å; P284-R391 CarbonylContact C-O 3.59Å; P284-R391 WeakPolarHBondContact CA-O 3.24Å; P284-R391 HydrophobicContact CB-CG 4.24Å; P284-R391 HydrophobicContact CG-CG 4.39Å; R285-R391 PolarHBondContact N-O 3.18Å; F288-R391 HydrophobicContact CD1-CG 4.31Å; F288-R391 HydrophobicContact CD2-CB 4.21Å; F288-R391 HydrophobicContact CE1-CB 4.32Å; F288-R391 HydrophobicContact CE1-CG 3.92Å; F288-R391 HydrophobicContact CE2-CB 3.89Å; F288-R391 HydrophobicContact CE2-CG 4.4Å; F288-R391 HydrophobicContact CZ-CB 3.93Å; F288-R391 HydrophobicContact CZ-CG 3.99Å; N295-R391 PolarHBondContact ND2-NH2 3.29Å; E302-R391 VanDerWaalsContact CD-NH2 3.31Å; E302-R391 IonicContact OE1-CZ 2.71Å; E302-R391 IonicContact OE1-NE 3.5Å; E302-R391 PolarHBondContact OE1-NE 2.55Å; E302-R391 IonicContact OE1-NH2 3.06Å; E302-R391 PolarHBondContact OE1-NH2 3.04Å; E302-R391 IonicContact OE2-CZ 3.5Å; E302-R391 IonicContact OE2-NH2 2.63Å; E302-R391 PolarHBondContact OE2-NH2 2.89Å |
| 392 | L | 85.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -100.4 | 151.7 | -173.3 | -58.6 | -176.5 | 0 | 0 | 0 | 111.5 | E282 A395 Y396 | E282-L392 HydrophobicContact CB-CD1 4.49Å; E282-L392 HydrophobicContact CB-CD2 3.56Å; E282-L392 HydrophobicContact CB-CG 4.44Å; E282-L392 VanDerWaalsContact O-CD2 3.32Å; E282-L392 WeakPolarHBondContact O-CD2 3.06Å; L392-A395 HydrophobicContact CB-CB 4Å; L392-Y396 PolarHBondContact O-N 2.89Å |
| 393 | E | 83 | Confident | 90.1 | Very high | 66 Ų | 66 | 43 Ų | 43 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.3 | -42 | 174 | -170 | 57.8 | -149.5 | 0 | 0 | 110.4 | R285 A395 Y396 Q397 | R285-E393 HydrophobicContact CB-CB 4.47Å; R285-E393 WeakPolarHBondContact CB-OE2 3.29Å; R285-E393 IonicContact CZ-OE2 2.68Å; R285-E393 IonicContact NH1-OE1 2.61Å; R285-E393 PolarHBondContact NH1-OE1 3.06Å; R285-E393 IonicContact NH1-OE2 2.66Å; R285-E393 PolarHBondContact NH1-OE2 2.88Å; E393-A395 VanDerWaalsContact C-N 3.31Å; E393-A395 PolarHBondContact O-N 3.24Å; E393-Y396 WeakPolarHBondContact O-CB 3.49Å; E393-Y396 PolarHBondContact O-N 2.87Å; E393-Y396 WeakPolarHBondContact OE1-CD1 3.44Å; E393-Q397 HydrophobicContact CG-CG 4.36Å; E393-Q397 WeakPolarHBondContact O-CG 3.31Å; E393-Q397 PolarHBondContact O-N 2.97Å; E393-Q397 PolarHBondContact OE1-NE2 2.75Å |
| 394 | S | 81.9 | Confident | 90.1 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.4 | -42.5 | 174.3 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | E282 Q397 N398 | E282-S394 VanDerWaalsContact CD-OG 3.26Å; E282-S394 WeakPolarHBondContact OE1-CB 3.39Å; E282-S394 PolarHBondContact OE1-OG 3.4Å; E282-S394 PolarHBondContact OE2-N 2.91Å; E282-S394 PolarHBondContact OE2-OG 2.89Å; S394-Q397 PolarHBondContact O-N 3.31Å; S394-N398 WeakPolarHBondContact O-CB 3.47Å; S394-N398 PolarHBondContact O-N 2.88Å; S394-N398 PolarHBondContact O-ND2 3.46Å; S394-N398 PolarHBondContact O-OD1 2.83Å |
| 395 | A | 86.2 | Confident | 89.9 | Confident | 27 Ų | 27 | 36.5 Ų | 36.5 | 22% | 0.223 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L392 E393 N398 H399 | L392-A395 HydrophobicContact CB-CB 4Å; E393-A395 VanDerWaalsContact C-N 3.31Å; E393-A395 PolarHBondContact O-N 3.24Å; A395-N398 PolarHBondContact O-N 3.46Å; A395-H399 PolarHBondContact O-N 3.46Å; A395-H399 VanDerWaalsContact O-N 3.17Å; A395-H399 PolarHBondContact O-ND1 3.12Å |
| 396 | Y | 89.2 | Confident | 89.8 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -50.8 | 174.6 | 170.2 | -92 | 0 | 0 | 0 | 111 | T385 L392 E393 H399 L400 | T385-Y396 HydrophobicContact CG2-CD2 3.62Å; T385-Y396 HydrophobicContact CG2-CE2 3.77Å; T385-Y396 HydrophobicContact CG2-CG 4.3Å; T385-Y396 WeakPolarHBondContact CG2-O 3.49Å; L392-Y396 PolarHBondContact O-N 2.89Å; E393-Y396 WeakPolarHBondContact O-CB 3.49Å; E393-Y396 PolarHBondContact O-N 2.87Å; E393-Y396 WeakPolarHBondContact OE1-CD1 3.44Å; Y396-H399 PolarHBondContact O-N 2.89Å; Y396-L400 HydrophobicContact CE1-CD2 3.97Å; Y396-L400 WeakPolarHBondContact O-CB 3.41Å; Y396-L400 PolarHBondContact O-N 3.41Å |
| 397 | Q | 86.6 | Confident | 89.9 | Confident | 70 Ų | 70 | 37.1 Ų | 37.1 | 33% | 0.327 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.5 | -49 | 179.7 | -67.2 | -61.1 | -27 | 0 | 0 | 110.9 | E393 S394 H399 L400 I401 | E393-Q397 HydrophobicContact CG-CG 4.36Å; E393-Q397 WeakPolarHBondContact O-CG 3.31Å; E393-Q397 PolarHBondContact O-N 2.97Å; E393-Q397 PolarHBondContact OE1-NE2 2.75Å; S394-Q397 PolarHBondContact O-N 3.31Å; Q397-H399 VanDerWaalsContact C-N 3.3Å; Q397-H399 PolarHBondContact O-N 3.03Å; Q397-L400 PolarHBondContact O-N 2.97Å; Q397-L400 VanDerWaalsContact O-N 3.09Å; Q397-I401 WeakPolarHBondContact O-CB 3.44Å; Q397-I401 WeakPolarHBondContact O-CG1 3.3Å; Q397-I401 PolarHBondContact O-N 3.44Å |
| 398 | N | 87.4 | Confident | 89.8 | Confident | 70 Ų | 70 | 33.1 Ų | 33.1 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.3 | -41.5 | 179.3 | -69.3 | -9.1 | 0 | 0 | 0 | 113.3 | S394 A395 L402 V554 | S394-N398 WeakPolarHBondContact O-CB 3.47Å; S394-N398 PolarHBondContact O-N 2.88Å; S394-N398 PolarHBondContact O-ND2 3.46Å; S394-N398 PolarHBondContact O-OD1 2.83Å; A395-N398 PolarHBondContact O-N 3.46Å; N398-L402 WeakPolarHBondContact O-CB 3.47Å; N398-L402 PolarHBondContact O-N 3.42Å; N398-V554 HydrophobicContact CB-CG2 3.8Å; N398-V554 WeakPolarHBondContact OD1-CG2 3.38Å |
| 399 | H | 90.7 | Very high | 89.7 | Confident | 65 Ų | 65 | 34.7 Ų | 34.7 | 30% | 0.301 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -74.5 | -33.6 | 178.4 | -71.7 | 76.2 | 0 | 0 | 0 | 112.4 | T385 H390 A395 Y396 Q397 K403 | T385-H399 HydrophobicContact CG2-CB 4.03Å; H390-H399 AromaticContact CE1-CD2 3.67Å; H390-H399 AromaticContact CE1-CE1 3.59Å; H390-H399 AromaticContact CE1-CG 3.51Å; H390-H399 AromaticContact CE1-ND1 3.46Å; H390-H399 PolarHBondContact CE1-ND1 3.05Å; H390-H399 AromaticContact CE1-NE2 3.7Å; H390-H399 AromaticContact NE2-CD2 3.97Å; H390-H399 AromaticContact NE2-CG 3.64Å; H390-H399 AromaticContact NE2-ND1 3.95Å; A395-H399 PolarHBondContact O-N 3.46Å; A395-H399 VanDerWaalsContact O-N 3.17Å; A395-H399 PolarHBondContact O-ND1 3.12Å; Y396-H399 PolarHBondContact O-N 2.89Å; Q397-H399 VanDerWaalsContact C-N 3.3Å; Q397-H399 PolarHBondContact O-N 3.03Å; H399-K403 WeakPolarHBondContact O-CG 3.33Å; H399-K403 PolarHBondContact O-N 3.16Å; H399-K403 PolarHBondContact O-NZ 3.31Å |
| 400 | L | 92.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.7 | -49.5 | 174.1 | 177.5 | 60.1 | 0 | 0 | 0 | 110.5 | A381 E382 T385 Y396 Q397 L402 K403 V404 | A381-L400 HydrophobicContact CB-CD1 3.92Å; E382-L400 HydrophobicContact CB-CD1 4.49Å; E382-L400 HydrophobicContact CG-CD1 3.81Å; E382-L400 HydrophobicContact CG-CD2 3.9Å; T385-L400 HydrophobicContact CG2-CB 4.2Å; Y396-L400 HydrophobicContact CE1-CD2 3.97Å; Y396-L400 WeakPolarHBondContact O-CB 3.41Å; Y396-L400 PolarHBondContact O-N 3.41Å; Q397-L400 PolarHBondContact O-N 2.97Å; Q397-L400 VanDerWaalsContact O-N 3.09Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.38Å; L400-K403 PolarHBondContact O-N 3.4Å; L400-V404 HydrophobicContact CD1-CG2 3.97Å; L400-V404 HydrophobicContact CG-CG2 4.48Å; L400-V404 WeakPolarHBondContact O-CG2 3.3Å; L400-V404 PolarHBondContact O-N 2.84Å |
| 401 | I | 89.9 | Confident | 89.6 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.4 | -51.4 | 176.1 | -68.5 | 176 | 0 | 0 | 0 | 109.8 | Q397 K403 V404 L405 F495 V554 W555 | Q397-I401 WeakPolarHBondContact O-CB 3.44Å; Q397-I401 WeakPolarHBondContact O-CG1 3.3Å; Q397-I401 PolarHBondContact O-N 3.44Å; I401-K403 PolarHBondContact O-N 3.02Å; I401-V404 PolarHBondContact O-N 3.49Å; I401-L405 WeakPolarHBondContact O-CB 3.2Å; I401-L405 PolarHBondContact O-N 2.96Å; I401-F495 HydrophobicContact CB-CD2 4.29Å; I401-F495 HydrophobicContact CB-CE2 3.98Å; I401-F495 HydrophobicContact CD1-CD2 4.22Å; I401-F495 HydrophobicContact CG1-CD2 3.54Å; I401-F495 HydrophobicContact CG1-CE2 3.74Å; I401-F495 HydrophobicContact CG2-CD2 4.34Å; I401-F495 HydrophobicContact CG2-CE2 3.92Å; I401-V554 HydrophobicContact CG2-CG1 4.3Å; I401-W555 HydrophobicContact CG2-CZ2 4.38Å |
| 402 | L | 90.2 | Very high | 89.6 | Confident | 98 Ų | 98 | 34.5 Ų | 34.5 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.5 | -45.5 | -178.8 | -178.4 | 64.6 | 0 | 0 | 0 | 112.6 | N398 L400 V406 | N398-L402 WeakPolarHBondContact O-CB 3.47Å; N398-L402 PolarHBondContact O-N 3.42Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.38Å; L402-V406 HydrophobicContact CD1-CG2 4.23Å; L402-V406 VanDerWaalsContact O-CG2 3.29Å; L402-V406 WeakPolarHBondContact O-CG2 3.28Å; L402-V406 PolarHBondContact O-N 3.13Å; L402-V406 VanDerWaalsContact O-N 3.07Å |
| 403 | K | 93.3 | Very high | 89.8 | Confident | 16 Ų | 16 | 32.3 Ų | 32.3 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -51.4 | 180 | -69.6 | -178.9 | -171.1 | 84 | 0 | 111.5 | S318 V322 Y377 A381 L384 T385 E388 H399 L400 I401 L405 V406 F407 | S318-K403 WeakPolarHBondContact OG-CE 3.35Å; V322-K403 HydrophobicContact CG2-CB 4.5Å; V322-K403 HydrophobicContact CG2-CD 4.21Å; V322-K403 HydrophobicContact CG2-CG 4.05Å; Y377-K403 WeakPolarHBondContact CE1-O 3.24Å; Y377-K403 PolarHBondContact OH-O 3.5Å; A381-K403 HydrophobicContact CB-CB 4.32Å; L384-K403 HydrophobicContact CD2-CD 4.48Å; T385-K403 PolarHBondContact OG1-NZ 3.14Å; E388-K403 VanDerWaalsContact CD-NZ 3.3Å; E388-K403 WeakPolarHBondContact OE1-CE 3.37Å; E388-K403 IonicContact OE1-NZ 3.75Å; E388-K403 PolarHBondContact OE1-NZ 3.33Å; E388-K403 IonicContact OE2-NZ 3.25Å; E388-K403 PolarHBondContact OE2-NZ 3.14Å; H399-K403 WeakPolarHBondContact O-CG 3.33Å; H399-K403 PolarHBondContact O-N 3.16Å; H399-K403 PolarHBondContact O-NZ 3.31Å; L400-K403 PolarHBondContact O-N 3.4Å; I401-K403 PolarHBondContact O-N 3.02Å; K403-L405 VanDerWaalsContact C-N 3.32Å; K403-L405 PolarHBondContact O-N 2.91Å; K403-V406 PolarHBondContact O-N 2.49Å; K403-F407 PolarHBondContact O-N 3.49Å |
| 404 | V | 93.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | -178.8 | 179 | 0 | 0 | 0 | 0 | 110.9 | A381 L400 I401 F407 N408 F495 | A381-V404 HydrophobicContact CB-CG2 3.9Å; L400-V404 HydrophobicContact CD1-CG2 3.97Å; L400-V404 HydrophobicContact CG-CG2 4.48Å; L400-V404 WeakPolarHBondContact O-CG2 3.3Å; L400-V404 PolarHBondContact O-N 2.84Å; I401-V404 PolarHBondContact O-N 3.49Å; V404-F407 PolarHBondContact O-N 2.92Å; V404-N408 WeakPolarHBondContact CG1-ND2 3.45Å; V404-N408 WeakPolarHBondContact O-CB 3.49Å; V404-N408 VanDerWaalsContact O-CG 3.27Å; V404-N408 PolarHBondContact O-N 3.3Å; V404-F495 HydrophobicContact CB-CE1 4.37Å; V404-F495 HydrophobicContact CB-CZ 3.79Å; V404-F495 HydrophobicContact CG1-CE1 3.72Å; V404-F495 HydrophobicContact CG1-CZ 3.51Å |
| 405 | L | 92.1 | Very high | 90.7 | Very high | 19 Ų | 19 | 27.5 Ų | 27.5 | 10% | 0.099 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 179.4 | -172.8 | 152.7 | 0 | 0 | 0 | 112.2 | I401 K403 F407 N408 F409 F502 W555 A558 | I401-L405 WeakPolarHBondContact O-CB 3.2Å; I401-L405 PolarHBondContact O-N 2.96Å; K403-L405 VanDerWaalsContact C-N 3.32Å; K403-L405 PolarHBondContact O-N 2.91Å; L405-F407 VanDerWaalsContact C-N 3.32Å; L405-F407 PolarHBondContact O-N 2.93Å; L405-N408 PolarHBondContact O-N 3.04Å; L405-F409 WeakPolarHBondContact O-CB 3.33Å; L405-F409 PolarHBondContact O-N 3.3Å; L405-F502 HydrophobicContact CD1-CD1 4.39Å; L405-F502 HydrophobicContact CD1-CE1 4.2Å; L405-F502 HydrophobicContact CD1-CZ 4.27Å; L405-F502 HydrophobicContact CD2-CE1 3.88Å; L405-F502 HydrophobicContact CD2-CZ 3.79Å; L405-F502 HydrophobicContact CG-CD1 4.34Å; L405-F502 HydrophobicContact CG-CE1 3.86Å; L405-F502 HydrophobicContact CG-CZ 4.16Å; L405-W555 HydrophobicContact CD1-CE3 4.01Å; L405-W555 HydrophobicContact CD1-CH2 4.16Å; L405-W555 HydrophobicContact CD1-CZ3 3.5Å; L405-W555 VanDerWaalsContact CD1-CZ3 3.5Å; L405-A558 HydrophobicContact CD1-CB 3.49Å; L405-A558 VanDerWaalsContact CD1-CB 3.49Å |
| 406 | V | 93 | Very high | 90.9 | Very high | 57 Ų | 57 | 26.2 Ų | 26.2 | 35% | 0.345 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.2 | -41 | 179.5 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L326 L402 K403 L410 | L326-V406 HydrophobicContact CD1-CG1 3.87Å; L326-V406 HydrophobicContact CD2-CG1 4.09Å; L402-V406 HydrophobicContact CD1-CG2 4.23Å; L402-V406 VanDerWaalsContact O-CG2 3.29Å; L402-V406 WeakPolarHBondContact O-CG2 3.28Å; L402-V406 PolarHBondContact O-N 3.13Å; L402-V406 VanDerWaalsContact O-N 3.07Å; K403-V406 PolarHBondContact O-N 2.49Å; V406-L410 PolarHBondContact O-N 3.14Å; V406-L410 VanDerWaalsContact O-N 3.09Å |
| 407 | F | 94.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -50.8 | 176.8 | -177.9 | -94.8 | 0 | 0 | 0 | 112.2 | C325 L326 M373 N374 Y377 K403 V404 L405 F409 L410 N411 | C325-F407 HydrophobicContact CB-CD2 4.17Å; C325-F407 HydrophobicContact CB-CE2 4.08Å; L326-F407 HydrophobicContact CD2-CB 4.36Å; L326-F407 HydrophobicContact CD2-CD2 4.17Å; M373-F407 HydrophobicContact CB-CZ 4.26Å; M373-F407 HydrophobicContact CE-CZ 4.04Å; N374-F407 WeakPolarHBondContact OD1-CE1 3.23Å; Y377-F407 HydrophobicContact CD1-CB 3.55Å; Y377-F407 AromaticContact CD1-CD1 3.53Å; Y377-F407 HydrophobicContact CD1-CD1 3.53Å; Y377-F407 HydrophobicContact CD1-CD2 4.19Å; Y377-F407 HydrophobicContact CD1-CE1 4.28Å; Y377-F407 AromaticContact CD1-CG 3.47Å; Y377-F407 HydrophobicContact CD1-CG 3.47Å; Y377-F407 VanDerWaalsContact CD1-CG 3.47Å; Y377-F407 HydrophobicContact CD2-CB 4.36Å; Y377-F407 HydrophobicContact CD2-CD1 4.22Å; Y377-F407 AromaticContact CD2-CD2 3.62Å; Y377-F407 HydrophobicContact CD2-CD2 3.62Å; Y377-F407 HydrophobicContact CD2-CE1 4.45Å; Y377-F407 AromaticContact CD2-CE2 3.89Å; Y377-F407 HydrophobicContact CD2-CE2 3.89Å; Y377-F407 AromaticContact CD2-CG 3.79Å; Y377-F407 HydrophobicContact CD2-CG 3.79Å; Y377-F407 HydrophobicContact CD2-CZ 4.3Å; Y377-F407 HydrophobicContact CE1-CB 3.3Å; Y377-F407 HydrophobicContact CE1-CD1 4.22Å; Y377-F407 HydrophobicContact CE1-CD2 4.36Å; Y377-F407 AromaticContact CE1-CG 3.72Å; Y377-F407 HydrophobicContact CE1-CG 3.72Å; Y377-F407 HydrophobicContact CE2-CB 4.14Å; Y377-F407 AromaticContact CE2-CD2 3.79Å; Y377-F407 HydrophobicContact CE2-CD2 3.79Å; Y377-F407 HydrophobicContact CE2-CE2 4.44Å; Y377-F407 AromaticContact CE2-CG 3.99Å; Y377-F407 HydrophobicContact CE2-CG 3.99Å; Y377-F407 HydrophobicContact CG-CB 4.08Å; Y377-F407 AromaticContact CG-CD1 3.52Å; Y377-F407 HydrophobicContact CG-CD1 3.52Å; Y377-F407 AromaticContact CG-CD2 3.81Å; Y377-F407 HydrophobicContact CG-CD2 3.81Å; Y377-F407 AromaticContact CG-CE1 3.84Å; Y377-F407 HydrophobicContact CG-CE1 3.84Å; Y377-F407 HydrophobicContact CG-CE2 4.1Å; Y377-F407 AromaticContact CG-CG 3.5Å; Y377-F407 HydrophobicContact CG-CG 3.5Å; Y377-F407 HydrophobicContact CG-CZ 4.11Å; Y377-F407 AromaticContact CZ-CG 3.95Å; K403-F407 PolarHBondContact O-N 3.49Å; V404-F407 PolarHBondContact O-N 2.92Å; L405-F407 VanDerWaalsContact C-N 3.32Å; L405-F407 PolarHBondContact O-N 2.93Å; F407-F409 VanDerWaalsContact C-N 3.31Å; F407-F409 PolarHBondContact O-N 3.35Å; F407-L410 PolarHBondContact O-N 3.19Å; F407-N411 HydrophobicContact CE1-CB 4.41Å; F407-N411 WeakPolarHBondContact O-CB 3.46Å; F407-N411 PolarHBondContact O-N 2.68Å |
| 408 | N | 90.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 179.5 | -72.3 | -12 | 0 | 0 | 0 | 111.6 | N374 V404 L405 N411 C412 L499 | N374-N408 PolarHBondContact OD1-OD1 2.91Å; V404-N408 WeakPolarHBondContact CG1-ND2 3.45Å; V404-N408 WeakPolarHBondContact O-CB 3.49Å; V404-N408 VanDerWaalsContact O-CG 3.27Å; V404-N408 PolarHBondContact O-N 3.3Å; L405-N408 PolarHBondContact O-N 3.04Å; N408-N411 PolarHBondContact O-N 3.24Å; N408-C412 VanDerWaalsContact O-CB 3.3Å; N408-C412 WeakPolarHBondContact O-CB 3.49Å; N408-C412 PolarHBondContact O-N 3.27Å; N408-C412 PolarHBondContact O-SG 3.31Å; N408-L499 HydrophobicContact CB-CD1 4.37Å; N408-L499 WeakPolarHBondContact ND2-CD2 3.48Å |
| 409 | F | 91.6 | Very high | 91.6 | Very high | 33 Ų | 33 | 23 Ų | 23 | 15% | 0.145 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57 | -51.8 | 173.7 | 175.8 | -91.6 | 0 | 0 | 0 | 111 | L405 F407 N411 C412 F413 F417 F502 L510 M562 I565 | L405-F409 WeakPolarHBondContact O-CB 3.33Å; L405-F409 PolarHBondContact O-N 3.3Å; F407-F409 VanDerWaalsContact C-N 3.31Å; F407-F409 PolarHBondContact O-N 3.35Å; F409-N411 PolarHBondContact O-N 3.48Å; F409-C412 PolarHBondContact O-N 3.5Å; F409-F413 HydrophobicContact CB-CD2 4.49Å; F409-F413 AromaticContact CD2-CD2 3.32Å; F409-F413 HydrophobicContact CD2-CD2 3.32Å; F409-F413 AromaticContact CD2-CE2 3.61Å; F409-F413 HydrophobicContact CD2-CE2 3.61Å; F409-F413 HydrophobicContact CD2-CG 4.45Å; F409-F413 AromaticContact CE2-CD2 3.47Å; F409-F413 HydrophobicContact CE2-CD2 3.47Å; F409-F413 VanDerWaalsContact CE2-CD2 3.47Å; F409-F413 AromaticContact CE2-CE2 3.9Å; F409-F413 HydrophobicContact CE2-CE2 3.9Å; F409-F413 HydrophobicContact CE2-CG 4.26Å; F409-F413 AromaticContact CG-CD2 3.92Å; F409-F413 HydrophobicContact CG-CD2 3.92Å; F409-F413 HydrophobicContact CG-CE2 4.47Å; F409-F413 HydrophobicContact CZ-CD2 4.19Å; F409-F413 WeakPolarHBondContact O-CB 3.28Å; F409-F413 WeakPolarHBondContact O-CD2 3.5Å; F409-F413 PolarHBondContact O-N 3Å; F409-F417 HydrophobicContact CE1-CE2 4.19Å; F409-F417 AromaticContact CZ-CE2 3.99Å; F409-F417 HydrophobicContact CZ-CE2 3.99Å; F409-F417 HydrophobicContact CZ-CZ 4.2Å; F409-F502 HydrophobicContact CD2-CE1 4.32Å; F409-F502 HydrophobicContact CD2-CZ 4.34Å; F409-L510 HydrophobicContact CE2-CD1 4.26Å; F409-M562 HydrophobicContact CD2-CE 3.49Å; F409-M562 VanDerWaalsContact CD2-CE 3.49Å; F409-M562 HydrophobicContact CD2-SD 4.4Å; F409-M562 HydrophobicContact CE2-CE 3.4Å; F409-M562 HydrophobicContact CE2-SD 3.71Å; F409-I565 HydrophobicContact CE1-CD1 4.46Å; F409-I565 HydrophobicContact CE2-CD1 4.44Å; F409-I565 HydrophobicContact CZ-CD1 3.94Å; F409-I565 HydrophobicContact CZ-CG2 4.45Å |
| 410 | L | 92.9 | Very high | 91.7 | Very high | 38 Ų | 38 | 19.9 Ų | 19.9 | 20% | 0.199 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 179.5 | -169.1 | 69.5 | 0 | 0 | 0 | 111.2 | L326 L330 V406 F407 C412 F413 A414 | L326-L410 HydrophobicContact CB-CD2 3.6Å; L326-L410 HydrophobicContact CD2-CB 3.96Å; L326-L410 HydrophobicContact CD2-CD2 3.55Å; L326-L410 HydrophobicContact CD2-CG 4.42Å; L326-L410 HydrophobicContact CG-CD2 4.07Å; L326-L410 WeakPolarHBondContact O-CD2 3.23Å; L330-L410 HydrophobicContact CD1-CD2 4.41Å; L330-L410 HydrophobicContact CD2-CD1 4.1Å; L330-L410 HydrophobicContact CD2-CD2 4.27Å; L330-L410 HydrophobicContact CD2-CG 4.24Å; L330-L410 HydrophobicContact CG-CD2 4.03Å; V406-L410 PolarHBondContact O-N 3.14Å; V406-L410 VanDerWaalsContact O-N 3.09Å; F407-L410 PolarHBondContact O-N 3.19Å; L410-C412 VanDerWaalsContact C-N 3.3Å; L410-C412 PolarHBondContact O-N 3.49Å; L410-F413 PolarHBondContact O-N 2.66Å; L410-A414 HydrophobicContact CD1-CB 4.1Å; L410-A414 HydrophobicContact CG-CB 4.25Å; L410-A414 WeakPolarHBondContact O-CA 3.48Å; L410-A414 WeakPolarHBondContact O-CB 3.41Å; L410-A414 PolarHBondContact O-N 3.43Å |
| 411 | N | 89.6 | Confident | 91.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.4 | -33 | -175.9 | -154.4 | 32.1 | 0 | 0 | 0 | 112.6 | S329 N374 F407 N408 F409 | S329-N411 PolarHBondContact OG-OD1 2.86Å; N374-N411 PolarHBondContact OD1-ND2 3.39Å; F407-N411 HydrophobicContact CE1-CB 4.41Å; F407-N411 WeakPolarHBondContact O-CB 3.46Å; F407-N411 PolarHBondContact O-N 2.68Å; N408-N411 PolarHBondContact O-N 3.24Å; F409-N411 PolarHBondContact O-N 3.48Å |
| 412 | C | 87.1 | Confident | 91.9 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 10% | 0.095 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -82.7 | -39.9 | 177.2 | -67.2 | 0 | 0 | 0 | 0 | 113.4 | N408 F409 L410 L503 | N408-C412 VanDerWaalsContact O-CB 3.3Å; N408-C412 WeakPolarHBondContact O-CB 3.49Å; N408-C412 PolarHBondContact O-N 3.27Å; N408-C412 PolarHBondContact O-SG 3.31Å; F409-C412 PolarHBondContact O-N 3.5Å; L410-C412 VanDerWaalsContact C-N 3.3Å; L410-C412 PolarHBondContact O-N 3.49Å; C412-L503 HydrophobicContact CB-CD2 4.21Å |
| 413 | F | 91 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -101.1 | -16.2 | -170.6 | -61.9 | -66.9 | 0 | 0 | 0 | 114.5 | F409 L410 S415 L416 F417 L503 Y507 L510 F511 M562 | F409-F413 HydrophobicContact CB-CD2 4.49Å; F409-F413 AromaticContact CD2-CD2 3.32Å; F409-F413 HydrophobicContact CD2-CD2 3.32Å; F409-F413 AromaticContact CD2-CE2 3.61Å; F409-F413 HydrophobicContact CD2-CE2 3.61Å; F409-F413 HydrophobicContact CD2-CG 4.45Å; F409-F413 AromaticContact CE2-CD2 3.47Å; F409-F413 HydrophobicContact CE2-CD2 3.47Å; F409-F413 VanDerWaalsContact CE2-CD2 3.47Å; F409-F413 AromaticContact CE2-CE2 3.9Å; F409-F413 HydrophobicContact CE2-CE2 3.9Å; F409-F413 HydrophobicContact CE2-CG 4.26Å; F409-F413 AromaticContact CG-CD2 3.92Å; F409-F413 HydrophobicContact CG-CD2 3.92Å; F409-F413 HydrophobicContact CG-CE2 4.47Å; F409-F413 HydrophobicContact CZ-CD2 4.19Å; F409-F413 WeakPolarHBondContact O-CB 3.28Å; F409-F413 WeakPolarHBondContact O-CD2 3.5Å; F409-F413 PolarHBondContact O-N 3Å; L410-F413 PolarHBondContact O-N 2.66Å; F413-S415 PolarHBondContact O-N 2.61Å; F413-L416 HydrophobicContact CD1-CD1 4.18Å; F413-L416 PolarHBondContact O-N 3.26Å; F413-F417 HydrophobicContact CB-CD2 4.07Å; F413-F417 HydrophobicContact CB-CE2 3.7Å; F413-F417 HydrophobicContact CB-CZ 4.24Å; F413-F417 VanDerWaalsContact O-CD2 3.23Å; F413-F417 WeakPolarHBondContact O-CD2 3.49Å; F413-F417 WeakPolarHBondContact O-CG 3.46Å; F413-F417 PolarHBondContact O-N 3.25Å; F413-L503 HydrophobicContact CE2-CD2 3.78Å; F413-L503 HydrophobicContact CZ-CD2 4.2Å; F413-Y507 HydrophobicContact CD1-CD1 4.18Å; F413-Y507 HydrophobicContact CD1-CE1 4.02Å; F413-Y507 AromaticContact CE1-CD1 3.44Å; F413-Y507 HydrophobicContact CE1-CD1 3.44Å; F413-Y507 VanDerWaalsContact CE1-CD1 3.44Å; F413-Y507 AromaticContact CE1-CE1 3.52Å; F413-Y507 HydrophobicContact CE1-CE1 3.52Å; F413-Y507 HydrophobicContact CE1-CG 4.02Å; F413-Y507 HydrophobicContact CZ-CD1 4.3Å; F413-Y507 HydrophobicContact CZ-CE1 4.28Å; F413-L510 HydrophobicContact CD1-CD1 3.7Å; F413-L510 HydrophobicContact CD2-CD1 4.31Å; F413-L510 HydrophobicContact CE1-CD1 3.84Å; F413-L510 HydrophobicContact CE2-CD1 4.47Å; F413-L510 HydrophobicContact CG-CD1 3.94Å; F413-L510 HydrophobicContact CZ-CD1 4.26Å; F413-F511 AromaticContact CD1-CE2 3.98Å; F413-F511 HydrophobicContact CD1-CE2 3.98Å; F413-M562 HydrophobicContact CE2-CE 3.78Å; F413-M562 HydrophobicContact CZ-CE 4.18Å |
| 414 | A | 92.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 5% | 0.05 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L330 M333 L410 L416 F417 Y418 | L330-A414 HydrophobicContact CD2-CB 3.71Å; M333-A414 HydrophobicContact SD-CB 3.63Å; M333-A414 VanDerWaalsContact SD-O 3.41Å; L410-A414 HydrophobicContact CD1-CB 4.1Å; L410-A414 HydrophobicContact CG-CB 4.25Å; L410-A414 WeakPolarHBondContact O-CA 3.48Å; L410-A414 WeakPolarHBondContact O-CB 3.41Å; L410-A414 PolarHBondContact O-N 3.43Å; A414-L416 VanDerWaalsContact C-N 3.33Å; A414-L416 PolarHBondContact O-N 2.93Å; A414-F417 PolarHBondContact O-N 3.2Å; A414-Y418 WeakPolarHBondContact O-CB 3.48Å; A414-Y418 PolarHBondContact O-N 3.22Å |
| 415 | S | 90.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 177 | 60 | 0 | 0 | 0 | 0 | 111.4 | M333 F413 Y418 I419 | M333-S415 PolarHBondContact SD-N 3.28Å; M333-S415 VanDerWaalsContact SD-N 3.43Å; F413-S415 PolarHBondContact O-N 2.61Å; S415-Y418 WeakPolarHBondContact O-CB 3.41Å; S415-Y418 PolarHBondContact O-N 2.96Å; S415-I419 VanDerWaalsContact O-CG1 3.29Å; S415-I419 WeakPolarHBondContact O-CG1 3.1Å; S415-I419 PolarHBondContact O-N 3.41Å |
| 416 | L | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -41.1 | 176.2 | -62.4 | 177 | 0 | 0 | 0 | 111.9 | F413 A414 Y418 I419 A420 L429 L433 L436 Y507 F511 | F413-L416 HydrophobicContact CD1-CD1 4.18Å; F413-L416 PolarHBondContact O-N 3.26Å; A414-L416 VanDerWaalsContact C-N 3.33Å; A414-L416 PolarHBondContact O-N 2.93Å; L416-Y418 VanDerWaalsContact C-N 3.33Å; L416-I419 PolarHBondContact O-N 3.27Å; L416-A420 WeakPolarHBondContact O-CB 3.44Å; L416-A420 PolarHBondContact O-N 2.82Å; L416-L429 HydrophobicContact CB-CD1 4.1Å; L416-L429 HydrophobicContact CD2-CD1 3.88Å; L416-L433 HydrophobicContact CD1-CD1 3.97Å; L416-L433 HydrophobicContact CD2-CB 4.45Å; L416-L436 HydrophobicContact CD1-CD1 4.43Å; L416-L436 HydrophobicContact CD2-CD1 4.08Å; L416-L436 HydrophobicContact CG-CD1 4.3Å; L416-Y507 HydrophobicContact CD1-CD1 3.93Å; L416-Y507 HydrophobicContact CD1-CE1 3.67Å; L416-F511 HydrophobicContact CB-CE1 4.15Å; L416-F511 HydrophobicContact CB-CE2 3.87Å; L416-F511 HydrophobicContact CB-CZ 3.49Å; L416-F511 VanDerWaalsContact CB-CZ 3.49Å; L416-F511 HydrophobicContact CD1-CD2 4.24Å; L416-F511 HydrophobicContact CD1-CE2 3.71Å; L416-F511 HydrophobicContact CD1-CZ 4.23Å; L416-F511 HydrophobicContact CG-CE2 4.45Å |
| 417 | F | 94.4 | Very high | 90.6 | Very high | 43 Ų | 43 | 39.1 Ų | 39.1 | 19% | 0.189 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 173.9 | -69.9 | -41.4 | 0 | 0 | 0 | 112.4 | F409 F413 A414 A420 F421 L510 F511 I565 T569 | F409-F417 HydrophobicContact CE1-CE2 4.19Å; F409-F417 AromaticContact CZ-CE2 3.99Å; F409-F417 HydrophobicContact CZ-CE2 3.99Å; F409-F417 HydrophobicContact CZ-CZ 4.2Å; F413-F417 HydrophobicContact CB-CD2 4.07Å; F413-F417 HydrophobicContact CB-CE2 3.7Å; F413-F417 HydrophobicContact CB-CZ 4.24Å; F413-F417 VanDerWaalsContact O-CD2 3.23Å; F413-F417 WeakPolarHBondContact O-CD2 3.49Å; F413-F417 WeakPolarHBondContact O-CG 3.46Å; F413-F417 PolarHBondContact O-N 3.25Å; A414-F417 PolarHBondContact O-N 3.2Å; F417-A420 PolarHBondContact O-N 3.46Å; F417-F421 HydrophobicContact CB-CD2 4.21Å; F417-F421 HydrophobicContact CD1-CD2 4.11Å; F417-F421 AromaticContact CD1-CE2 3.61Å; F417-F421 HydrophobicContact CD1-CE2 3.61Å; F417-F421 HydrophobicContact CE1-CE2 4.24Å; F417-F421 HydrophobicContact CG-CE2 4.44Å; F417-F421 WeakPolarHBondContact O-CB 3.43Å; F417-F421 WeakPolarHBondContact O-CD2 3.49Å; F417-F421 PolarHBondContact O-N 3.35Å; F417-L510 HydrophobicContact CE1-CD1 4.42Å; F417-L510 HydrophobicContact CZ-CD1 3.95Å; F417-L510 HydrophobicContact CZ-CD2 4.32Å; F417-F511 HydrophobicContact CD1-CE1 4.19Å; F417-F511 AromaticContact CD1-CZ 3.84Å; F417-F511 HydrophobicContact CD1-CZ 3.84Å; F417-F511 HydrophobicContact CE1-CE1 4.33Å; F417-F511 AromaticContact CE1-CZ 3.82Å; F417-F511 HydrophobicContact CE1-CZ 3.82Å; F417-I565 HydrophobicContact CZ-CG2 4.47Å; F417-T569 HydrophobicContact CE1-CG2 3.94Å |
| 418 | Y | 93 | Very high | 90.1 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -47.6 | 175.1 | -173.6 | -90.3 | 0 | 0 | 0 | 111.4 | M333 M334 F337 A414 S415 L416 A420 V422 L423 | M333-Y418 HydrophobicContact CE-CD2 3.87Å; M333-Y418 HydrophobicContact CE-CG 4.12Å; M334-Y418 HydrophobicContact CE-CE2 4.08Å; M334-Y418 HydrophobicContact SD-CD2 4.28Å; M334-Y418 HydrophobicContact SD-CE2 3.74Å; F337-Y418 HydrophobicContact CB-CE1 4.43Å; F337-Y418 HydrophobicContact CD1-CD1 4.09Å; F337-Y418 HydrophobicContact CD1-CE1 4.02Å; F337-Y418 AromaticContact CD2-CD1 3.49Å; F337-Y418 HydrophobicContact CD2-CD1 3.49Å; F337-Y418 VanDerWaalsContact CD2-CD1 3.49Å; F337-Y418 AromaticContact CD2-CE1 3.58Å; F337-Y418 HydrophobicContact CD2-CE1 3.58Å; F337-Y418 HydrophobicContact CD2-CG 4.05Å; F337-Y418 AromaticContact CE1-CD1 3.78Å; F337-Y418 HydrophobicContact CE1-CD1 3.78Å; F337-Y418 HydrophobicContact CE1-CE1 4.17Å; F337-Y418 AromaticContact CE2-CD1 3.12Å; F337-Y418 HydrophobicContact CE2-CD1 3.12Å; F337-Y418 HydrophobicContact CE2-CD2 4.44Å; F337-Y418 AromaticContact CE2-CE1 3.75Å; F337-Y418 HydrophobicContact CE2-CE1 3.75Å; F337-Y418 AromaticContact CE2-CG 3.52Å; F337-Y418 HydrophobicContact CE2-CG 3.52Å; F337-Y418 AromaticContact CG-CD1 3.98Å; F337-Y418 HydrophobicContact CG-CD1 3.98Å; F337-Y418 AromaticContact CG-CE1 3.74Å; F337-Y418 HydrophobicContact CG-CE1 3.74Å; F337-Y418 AromaticContact CZ-CD1 3.3Å; F337-Y418 HydrophobicContact CZ-CD1 3.3Å; F337-Y418 HydrophobicContact CZ-CE1 4.06Å; F337-Y418 AromaticContact CZ-CG 3.98Å; F337-Y418 HydrophobicContact CZ-CG 3.98Å; A414-Y418 WeakPolarHBondContact O-CB 3.48Å; A414-Y418 PolarHBondContact O-N 3.22Å; S415-Y418 WeakPolarHBondContact O-CB 3.41Å; S415-Y418 PolarHBondContact O-N 2.96Å; L416-Y418 VanDerWaalsContact C-N 3.33Å; Y418-A420 VanDerWaalsContact C-N 3.33Å; Y418-A420 PolarHBondContact O-N 3.49Å; Y418-V422 HydrophobicContact CD2-CB 3.92Å; Y418-V422 HydrophobicContact CD2-CG1 4.26Å; Y418-V422 HydrophobicContact CD2-CG2 3.74Å; Y418-V422 HydrophobicContact CE2-CB 3.93Å; Y418-V422 HydrophobicContact CE2-CG1 3.74Å; Y418-V422 HydrophobicContact CE2-CG2 4.02Å; Y418-V422 HydrophobicContact CG-CB 4.22Å; Y418-V422 HydrophobicContact CG-CG2 4.32Å; Y418-V422 WeakPolarHBondContact O-CA 3.3Å; Y418-V422 VanDerWaalsContact O-CB 3.25Å; Y418-V422 WeakPolarHBondContact O-CB 3.36Å; Y418-V422 PolarHBondContact O-N 3.06Å; Y418-L423 HydrophobicContact CD1-CD1 4.06Å; Y418-L423 HydrophobicContact CD1-CG 3.91Å; Y418-L423 HydrophobicContact CE1-CD1 3.94Å; Y418-L423 HydrophobicContact CE1-CD2 3.82Å; Y418-L423 HydrophobicContact CE1-CG 3.65Å; Y418-L423 PolarHBondContact O-N 3.49Å |
| 419 | I | 90.9 | Very high | 90 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -60.9 | -44.7 | 176.2 | -63 | 161.8 | 0 | 0 | 0 | 110.5 | F337 S415 L416 L423 K424 D425 L428 L429 | F337-I419 HydrophobicContact CE1-CD1 4.32Å; F337-I419 HydrophobicContact CE1-CG1 3.81Å; F337-I419 HydrophobicContact CZ-CD1 4.29Å; F337-I419 HydrophobicContact CZ-CG1 3.79Å; S415-I419 VanDerWaalsContact O-CG1 3.29Å; S415-I419 WeakPolarHBondContact O-CG1 3.1Å; S415-I419 PolarHBondContact O-N 3.41Å; L416-I419 PolarHBondContact O-N 3.27Å; I419-L423 HydrophobicContact CG1-CD1 4.27Å; I419-K424 PolarHBondContact O-N 2.93Å; I419-D425 WeakPolarHBondContact CG2-O 3.46Å; I419-D425 PolarHBondContact O-N 3.39Å; I419-L428 HydrophobicContact CD1-CD2 4.45Å; I419-L428 HydrophobicContact CD1-CG 4.34Å; I419-L428 HydrophobicContact CG1-CD2 4.26Å; I419-L428 HydrophobicContact CG2-CB 4.05Å; I419-L428 HydrophobicContact CG2-CD2 4.11Å; I419-L428 HydrophobicContact CG2-CG 4.05Å; I419-L429 HydrophobicContact CB-CD1 4.38Å; I419-L429 HydrophobicContact CG2-CB 3.81Å; I419-L429 HydrophobicContact CG2-CD1 4.38Å |
| 420 | A | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -65.3 | -50 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L416 F417 Y418 K424 L429 F511 L573 | L416-A420 WeakPolarHBondContact O-CB 3.44Å; L416-A420 PolarHBondContact O-N 2.82Å; F417-A420 PolarHBondContact O-N 3.46Å; Y418-A420 VanDerWaalsContact C-N 3.33Å; Y418-A420 PolarHBondContact O-N 3.49Å; A420-K424 WeakPolarHBondContact O-CA 3.26Å; A420-L429 HydrophobicContact CB-CD1 4.44Å; A420-L429 HydrophobicContact CB-CD2 3.7Å; A420-F511 HydrophobicContact CB-CE1 4.37Å; A420-L573 HydrophobicContact CB-CD2 4.06Å |
| 421 | F | 93.4 | Very high | 89.1 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -106.8 | -24 | -165.4 | -59.8 | -55 | 0 | 0 | 0 | 114.1 | F417 T569 A572 L573 M576 | F417-F421 HydrophobicContact CB-CD2 4.21Å; F417-F421 HydrophobicContact CD1-CD2 4.11Å; F417-F421 AromaticContact CD1-CE2 3.61Å; F417-F421 HydrophobicContact CD1-CE2 3.61Å; F417-F421 HydrophobicContact CE1-CE2 4.24Å; F417-F421 HydrophobicContact CG-CE2 4.44Å; F417-F421 WeakPolarHBondContact O-CB 3.43Å; F417-F421 WeakPolarHBondContact O-CD2 3.49Å; F417-F421 PolarHBondContact O-N 3.35Å; F421-T569 HydrophobicContact CE2-CG2 4.2Å; F421-T569 HydrophobicContact CZ-CG2 3.8Å; F421-A572 HydrophobicContact CD1-CB 4.36Å; F421-A572 HydrophobicContact CE1-CB 3.5Å; F421-A572 HydrophobicContact CZ-CB 3.98Å; F421-L573 HydrophobicContact CE1-CD2 4.1Å; F421-L573 HydrophobicContact CE1-CG 4.12Å; F421-L573 HydrophobicContact CZ-CD2 4.5Å; F421-L573 HydrophobicContact CZ-CG 4.29Å; F421-M576 HydrophobicContact CB-CE 4.42Å; F421-M576 HydrophobicContact CD1-CE 3.79Å; F421-M576 HydrophobicContact CD1-SD 3.84Å |
| 422 | V | 92.8 | Very high | 88.8 | Confident | 85 Ų | 85 | 46.3 Ų | 46.3 | 52% | 0.515 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -97.2 | -59.8 | 177.8 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | Y418 | Y418-V422 HydrophobicContact CD2-CB 3.92Å; Y418-V422 HydrophobicContact CD2-CG1 4.26Å; Y418-V422 HydrophobicContact CD2-CG2 3.74Å; Y418-V422 HydrophobicContact CE2-CB 3.93Å; Y418-V422 HydrophobicContact CE2-CG1 3.74Å; Y418-V422 HydrophobicContact CE2-CG2 4.02Å; Y418-V422 HydrophobicContact CG-CB 4.22Å; Y418-V422 HydrophobicContact CG-CG2 4.32Å; Y418-V422 WeakPolarHBondContact O-CA 3.3Å; Y418-V422 VanDerWaalsContact O-CB 3.25Å; Y418-V422 WeakPolarHBondContact O-CB 3.36Å; Y418-V422 PolarHBondContact O-N 3.06Å |
| 423 | L | 89 | Confident | 88.7 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 42% | 0.419 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -72.5 | -31.5 | 179.6 | -60.4 | -178.9 | 0 | 0 | 0 | 112.4 | F337 Y418 I419 D425 L428 | F337-L423 HydrophobicContact CD1-CD1 4.26Å; F337-L423 HydrophobicContact CE1-CD1 4.02Å; Y418-L423 HydrophobicContact CD1-CD1 4.06Å; Y418-L423 HydrophobicContact CD1-CG 3.91Å; Y418-L423 HydrophobicContact CE1-CD1 3.94Å; Y418-L423 HydrophobicContact CE1-CD2 3.82Å; Y418-L423 HydrophobicContact CE1-CG 3.65Å; Y418-L423 PolarHBondContact O-N 3.49Å; I419-L423 HydrophobicContact CG1-CD1 4.27Å; L423-D425 PolarHBondContact O-N 3.47Å; L423-L428 HydrophobicContact CD1-CD2 4.28Å |
| 424 | K | 89.8 | Confident | 88.3 | Confident | 129 Ų | 129 | 46.4 Ų | 46.4 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | trans | 58.4 | 29.8 | -178 | -54.9 | 174.9 | -176 | 174.3 | 0 | 113.1 | I419 A420 M576 | I419-K424 PolarHBondContact O-N 2.93Å; A420-K424 WeakPolarHBondContact O-CA 3.26Å; K424-M576 HydrophobicContact CG-SD 4.29Å | ||
| 425 | D | 87.6 | Confident | 87.8 | Confident | 71 Ų | 71 | 50 Ų | 50 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | trans | -96 | 97.5 | 176.6 | -171.2 | -21.9 | 0 | 0 | 0 | 110.4 | I419 L423 K427 L428 L429 | I419-D425 WeakPolarHBondContact CG2-O 3.46Å; I419-D425 PolarHBondContact O-N 3.39Å; L423-D425 PolarHBondContact O-N 3.47Å; D425-K427 VanDerWaalsContact C-N 3.26Å; D425-K427 PolarHBondContact O-N 2.87Å; D425-K427 WeakPolarHBondContact OD1-CA 3.15Å; D425-K427 WeakPolarHBondContact OD1-CB 3.48Å; D425-K427 PolarHBondContact OD1-N 2.65Å; D425-L428 HydrophobicContact CB-CB 3.91Å; D425-L428 VanDerWaalsContact CG-CB 3.5Å; D425-L428 PolarHBondContact OD1-N 2.86Å; D425-L429 WeakPolarHBondContact O-CB 3.39Å; D425-L429 PolarHBondContact O-N 3.19Å | ||
| 426 | M | 84.8 | Confident | 87.3 | Confident | 55 Ų | 55 | 51.9 Ų | 51.9 | 27% | 0.271 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.4 | -25.8 | 180 | -60.6 | -59.9 | 146.3 | 0 | 0 | 112.7 | L429 R430 V514 L573 | M426-L429 HydrophobicContact SD-CD2 4.16Å; M426-R430 VanDerWaalsContact O-CG 3.29Å; M426-R430 WeakPolarHBondContact O-CG 3.49Å; M426-R430 PolarHBondContact O-N 2.97Å; M426-V514 HydrophobicContact SD-CG2 3.87Å; M426-L573 HydrophobicContact CE-CD2 4.05Å; M426-L573 HydrophobicContact SD-CD2 4.19Å |
| 427 | K | 82.9 | Confident | 86.8 | Confident | 145 Ų | 145 | 52 Ų | 52 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -74.3 | -47.5 | 178.6 | -175.7 | -178.1 | 176.6 | -174 | 0 | 109.9 | D425 L429 R430 Q431 | D425-K427 VanDerWaalsContact C-N 3.26Å; D425-K427 PolarHBondContact O-N 2.87Å; D425-K427 WeakPolarHBondContact OD1-CA 3.15Å; D425-K427 WeakPolarHBondContact OD1-CB 3.48Å; D425-K427 PolarHBondContact OD1-N 2.65Å; K427-L429 VanDerWaalsContact C-N 3.26Å; K427-L429 PolarHBondContact O-N 3.44Å; K427-R430 PolarHBondContact O-N 3.34Å; K427-Q431 WeakPolarHBondContact O-CG 3.35Å; K427-Q431 PolarHBondContact O-N 3.18Å |
| 428 | L | 86.1 | Confident | 86.3 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.199 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 173.9 | -175.5 | 61.8 | 0 | 0 | 0 | 110.9 | I419 L423 D425 Q431 S432 | I419-L428 HydrophobicContact CD1-CD2 4.45Å; I419-L428 HydrophobicContact CD1-CG 4.34Å; I419-L428 HydrophobicContact CG1-CD2 4.26Å; I419-L428 HydrophobicContact CG2-CB 4.05Å; I419-L428 HydrophobicContact CG2-CD2 4.11Å; I419-L428 HydrophobicContact CG2-CG 4.05Å; L423-L428 HydrophobicContact CD1-CD2 4.28Å; D425-L428 HydrophobicContact CB-CB 3.91Å; D425-L428 VanDerWaalsContact CG-CB 3.5Å; D425-L428 PolarHBondContact OD1-N 2.86Å; L428-Q431 PolarHBondContact O-N 3.24Å; L428-S432 VanDerWaalsContact O-CB 3.26Å; L428-S432 WeakPolarHBondContact O-CB 3.3Å; L428-S432 PolarHBondContact O-N 3.46Å |
| 429 | L | 87.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.4 | -175.2 | 57.6 | 0 | 0 | 0 | 112.2 | L416 I419 A420 D425 M426 K427 Q431 L433 F511 V514 L573 | L416-L429 HydrophobicContact CB-CD1 4.1Å; L416-L429 HydrophobicContact CD2-CD1 3.88Å; I419-L429 HydrophobicContact CB-CD1 4.38Å; I419-L429 HydrophobicContact CG2-CB 3.81Å; I419-L429 HydrophobicContact CG2-CD1 4.38Å; A420-L429 HydrophobicContact CB-CD1 4.44Å; A420-L429 HydrophobicContact CB-CD2 3.7Å; D425-L429 WeakPolarHBondContact O-CB 3.39Å; D425-L429 PolarHBondContact O-N 3.19Å; M426-L429 HydrophobicContact SD-CD2 4.16Å; K427-L429 VanDerWaalsContact C-N 3.26Å; K427-L429 PolarHBondContact O-N 3.44Å; L429-Q431 PolarHBondContact O-N 2.84Å; L429-L433 WeakPolarHBondContact O-CB 3.3Å; L429-L433 PolarHBondContact O-N 3.35Å; L429-F511 HydrophobicContact CD1-CD1 4.28Å; L429-F511 HydrophobicContact CD1-CE1 4.27Å; L429-F511 HydrophobicContact CD2-CD1 4.16Å; L429-V514 HydrophobicContact CB-CG1 4.39Å; L429-V514 HydrophobicContact CD2-CB 4.3Å; L429-V514 HydrophobicContact CD2-CG1 3.89Å; L429-V514 HydrophobicContact CD2-CG2 4.02Å; L429-V514 HydrophobicContact CG-CG1 4.06Å; L429-L573 HydrophobicContact CD2-CD2 4.44Å |
| 430 | R | 84.2 | Confident | 85 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 26% | 0.26 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 176.1 | -75.2 | 175.2 | -177.5 | 177.4 | 7.1 | 111.6 | E238 Y243 M426 K427 A434 V514 Y515 | E238-R430 IonicContact OE1-CZ 2.87Å; E238-R430 VanDerWaalsContact OE1-CZ 3.26Å; E238-R430 IonicContact OE1-NH1 3.26Å; E238-R430 PolarHBondContact OE1-NH1 2.94Å; E238-R430 IonicContact OE1-NH2 2.72Å; E238-R430 PolarHBondContact OE1-NH2 3.45Å; Y243-R430 PolarHBondContact OH-NH2 3.21Å; M426-R430 VanDerWaalsContact O-CG 3.29Å; M426-R430 WeakPolarHBondContact O-CG 3.49Å; M426-R430 PolarHBondContact O-N 2.97Å; K427-R430 PolarHBondContact O-N 3.34Å; R430-A434 VanDerWaalsContact O-CB 3.3Å; R430-A434 WeakPolarHBondContact O-CB 3.4Å; R430-A434 PolarHBondContact O-N 3.14Å; R430-V514 HydrophobicContact CG-CG1 3.54Å; R430-V514 WeakPolarHBondContact CG-O 2.97Å; R430-V514 PolarHBondContact NE-O 3.03Å; R430-Y515 HydrophobicContact CG-CD2 4.45Å |
| 431 | Q | 81.5 | Confident | 84.6 | Confident | 106 Ų | 106 | 57.1 Ų | 57.1 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.8 | -50.7 | -179.8 | -72.2 | 178.6 | -21.9 | 0 | 0 | 111.5 | K427 L428 L429 L433 A434 T435 | K427-Q431 WeakPolarHBondContact O-CG 3.35Å; K427-Q431 PolarHBondContact O-N 3.18Å; L428-Q431 PolarHBondContact O-N 3.24Å; L429-Q431 PolarHBondContact O-N 2.84Å; Q431-L433 PolarHBondContact O-N 3.1Å; Q431-A434 PolarHBondContact O-N 2.96Å; Q431-T435 WeakPolarHBondContact O-CB 3.19Å; Q431-T435 PolarHBondContact O-N 3.47Å; Q431-T435 PolarHBondContact O-OG1 3.38Å; Q431-T435 VanDerWaalsContact O-OG1 3.1Å |
| 432 | S | 83.9 | Confident | 84.2 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 179.2 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | L428 T435 L436 | L428-S432 VanDerWaalsContact O-CB 3.26Å; L428-S432 WeakPolarHBondContact O-CB 3.3Å; L428-S432 PolarHBondContact O-N 3.46Å; S432-T435 PolarHBondContact O-N 2.9Å; S432-L436 WeakPolarHBondContact O-CB 3.39Å; S432-L436 VanDerWaalsContact O-CG 3.28Å; S432-L436 WeakPolarHBondContact O-CG 3.33Å; S432-L436 PolarHBondContact O-N 2.95Å |
| 433 | L | 84.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.6 | -178.3 | 65.8 | 0 | 0 | 0 | 112.3 | L416 L429 Q431 L437 Y507 F511 Y515 | L416-L433 HydrophobicContact CD1-CD1 3.97Å; L416-L433 HydrophobicContact CD2-CB 4.45Å; L429-L433 WeakPolarHBondContact O-CB 3.3Å; L429-L433 PolarHBondContact O-N 3.35Å; Q431-L433 PolarHBondContact O-N 3.1Å; L433-L437 WeakPolarHBondContact O-CB 3.33Å; L433-L437 PolarHBondContact O-N 3.49Å; L433-Y507 HydrophobicContact CD1-CD1 3.42Å; L433-Y507 VanDerWaalsContact CD1-CD1 3.42Å; L433-Y507 HydrophobicContact CD1-CE1 4.26Å; L433-Y507 HydrophobicContact CD1-CG 4.05Å; L433-F511 HydrophobicContact CD1-CD2 4.3Å; L433-F511 HydrophobicContact CD2-CB 3.75Å; L433-F511 HydrophobicContact CD2-CG 4.41Å; L433-Y515 VanDerWaalsContact CD2-CB 3.5Å; L433-Y515 HydrophobicContact CD2-CD1 3.72Å; L433-Y515 HydrophobicContact CD2-CG 4Å; L433-Y515 HydrophobicContact CG-CD1 4.06Å |
| 434 | A | 83.1 | Confident | 83.3 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R430 Q431 I438 Y515 | R430-A434 VanDerWaalsContact O-CB 3.3Å; R430-A434 WeakPolarHBondContact O-CB 3.4Å; R430-A434 PolarHBondContact O-N 3.14Å; Q431-A434 PolarHBondContact O-N 2.96Å; A434-I438 WeakPolarHBondContact O-CB 3.4Å; A434-I438 WeakPolarHBondContact O-CD1 3.3Å; A434-I438 VanDerWaalsContact O-CG1 3.23Å; A434-I438 WeakPolarHBondContact O-CG1 3.18Å; A434-I438 PolarHBondContact O-N 3.28Å; A434-Y515 HydrophobicContact CB-CE1 4.04Å; A434-Y515 HydrophobicContact CB-CE2 4.48Å; A434-Y515 WeakPolarHBondContact CB-OH 3.48Å |
| 435 | T | 80.9 | Confident | 83.1 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 177.7 | -61 | 0 | 0 | 0 | 0 | 111.3 | Q431 S432 L437 T439 | Q431-T435 WeakPolarHBondContact O-CB 3.19Å; Q431-T435 PolarHBondContact O-N 3.47Å; Q431-T435 PolarHBondContact O-OG1 3.38Å; Q431-T435 VanDerWaalsContact O-OG1 3.1Å; S432-T435 PolarHBondContact O-N 2.9Å; T435-L437 PolarHBondContact O-N 3.36Å; T435-T439 WeakPolarHBondContact O-CB 3.32Å; T435-T439 PolarHBondContact O-N 3.49Å; T435-T439 PolarHBondContact O-OG1 2.87Å |
| 436 | L | 79.7 | Confident | 83.1 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 22% | 0.22 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 178.6 | -73.6 | 172.7 | 0 | 0 | 0 | 111.6 | L416 S432 S440 | L416-L436 HydrophobicContact CD1-CD1 4.43Å; L416-L436 HydrophobicContact CD2-CD1 4.08Å; L416-L436 HydrophobicContact CG-CD1 4.3Å; S432-L436 WeakPolarHBondContact O-CB 3.39Å; S432-L436 VanDerWaalsContact O-CG 3.28Å; S432-L436 WeakPolarHBondContact O-CG 3.33Å; S432-L436 PolarHBondContact O-N 2.95Å; L436-S440 WeakPolarHBondContact O-CB 3.34Å; L436-S440 PolarHBondContact O-N 3.45Å |
| 437 | L | 80.9 | Confident | 83.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -54.1 | -179.9 | -169.4 | 84.8 | 0 | 0 | 0 | 111.3 | L433 T435 Q441 Y507 F521 | L433-L437 WeakPolarHBondContact O-CB 3.33Å; L433-L437 PolarHBondContact O-N 3.49Å; T435-L437 PolarHBondContact O-N 3.36Å; L437-Q441 WeakPolarHBondContact O-CB 3.49Å; L437-Q441 VanDerWaalsContact O-CD 3.28Å; L437-Q441 WeakPolarHBondContact O-CG 3.4Å; L437-Q441 PolarHBondContact O-N 3.16Å; L437-Y507 HydrophobicContact CD1-CD2 3.74Å; L437-Y507 HydrophobicContact CD1-CG 4Å; L437-F521 HydrophobicContact CD2-CB 3.47Å; L437-F521 VanDerWaalsContact CD2-CB 3.47Å; L437-F521 HydrophobicContact CD2-CD2 4.25Å; L437-F521 HydrophobicContact CD2-CG 4.22Å |
| 438 | I | 83.1 | Confident | 83.1 | Confident | 59 Ų | 59 | 50.1 Ų | 50.1 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.3 | -47.9 | -174.3 | -63.9 | 167.9 | 0 | 0 | 0 | 110.8 | A434 Q441 I442 F521 | A434-I438 WeakPolarHBondContact O-CB 3.4Å; A434-I438 WeakPolarHBondContact O-CD1 3.3Å; A434-I438 VanDerWaalsContact O-CG1 3.23Å; A434-I438 WeakPolarHBondContact O-CG1 3.18Å; A434-I438 PolarHBondContact O-N 3.28Å; I438-Q441 PolarHBondContact O-N 2.93Å; I438-I442 HydrophobicContact CG2-CD1 3.79Å; I438-I442 VanDerWaalsContact O-CG1 3.3Å; I438-I442 WeakPolarHBondContact O-CG1 3.4Å; I438-I442 PolarHBondContact O-N 3.35Å; I438-F521 HydrophobicContact CD1-CE1 4.29Å; I438-F521 HydrophobicContact CD1-CE2 4.29Å; I438-F521 HydrophobicContact CD1-CZ 4.11Å; I438-F521 HydrophobicContact CG1-CD1 4.48Å |
| 439 | T | 80.6 | Confident | 82.9 | Confident | 68 Ų | 68 | 48.3 Ų | 48.3 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | -177.3 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | T435 L443 | T435-T439 WeakPolarHBondContact O-CB 3.32Å; T435-T439 PolarHBondContact O-N 3.49Å; T435-T439 PolarHBondContact O-OG1 2.87Å; T439-L443 HydrophobicContact CG2-CD1 3.79Å; T439-L443 HydrophobicContact CG2-CG 4.32Å; T439-L443 WeakPolarHBondContact O-CB 3.22Å; T439-L443 VanDerWaalsContact O-CG 3.27Å; T439-L443 WeakPolarHBondContact O-CG 3.49Å; T439-L443 PolarHBondContact O-N 3.36Å |
| 440 | S | 77.6 | Confident | 82.9 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 177 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | L436 L443 N444 | L436-S440 WeakPolarHBondContact O-CB 3.34Å; L436-S440 PolarHBondContact O-N 3.45Å; S440-L443 PolarHBondContact O-N 2.9Å; S440-N444 VanDerWaalsContact O-CB 3.25Å; S440-N444 WeakPolarHBondContact O-CB 3.49Å; S440-N444 PolarHBondContact O-N 2.95Å; S440-N444 PolarHBondContact O-OD1 3.45Å |
| 441 | Q | 83.4 | Confident | 83.2 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 178.5 | -79.2 | 171.8 | 0.5 | 0 | 0 | 112 | L437 I438 Q445 N525 | L437-Q441 WeakPolarHBondContact O-CB 3.49Å; L437-Q441 VanDerWaalsContact O-CD 3.28Å; L437-Q441 WeakPolarHBondContact O-CG 3.4Å; L437-Q441 PolarHBondContact O-N 3.16Å; I438-Q441 PolarHBondContact O-N 2.93Å; Q441-Q445 WeakPolarHBondContact O-CB 3.5Å; Q441-Q445 PolarHBondContact O-N 2.71Å; Q441-N525 WeakPolarHBondContact CB-OD1 3.41Å; Q441-N525 HydrophobicContact CG-CB 4.2Å |
| 442 | I | 84.1 | Confident | 83.6 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 178.3 | -67.3 | 169.9 | 0 | 0 | 0 | 111.2 | I438 Q445 I446 | I438-I442 HydrophobicContact CG2-CD1 3.79Å; I438-I442 VanDerWaalsContact O-CG1 3.3Å; I438-I442 WeakPolarHBondContact O-CG1 3.4Å; I438-I442 PolarHBondContact O-N 3.35Å; I442-Q445 PolarHBondContact O-N 2.93Å; I442-I446 HydrophobicContact CG2-CD1 4.07Å; I442-I446 WeakPolarHBondContact O-CG1 3.47Å; I442-I446 PolarHBondContact O-N 2.8Å |
| 443 | L | 81.2 | Confident | 83.9 | Confident | 97 Ų | 97 | 52.1 Ų | 52.1 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 179.9 | -74.8 | 174.8 | 0 | 0 | 0 | 111.7 | T439 S440 Q445 I446 V447 | T439-L443 HydrophobicContact CG2-CD1 3.79Å; T439-L443 HydrophobicContact CG2-CG 4.32Å; T439-L443 WeakPolarHBondContact O-CB 3.22Å; T439-L443 VanDerWaalsContact O-CG 3.27Å; T439-L443 WeakPolarHBondContact O-CG 3.49Å; T439-L443 PolarHBondContact O-N 3.36Å; S440-L443 PolarHBondContact O-N 2.9Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 2.94Å; L443-I446 PolarHBondContact O-N 3.34Å; L443-V447 WeakPolarHBondContact O-CG2 3.32Å; L443-V447 PolarHBondContact O-N 2.92Å |
| 444 | N | 82.6 | Confident | 84.2 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.8 | -50.4 | 176.1 | -76.6 | 3.5 | 0 | 0 | 0 | 110.1 | S440 I446 V447 E448 E500 | S440-N444 VanDerWaalsContact O-CB 3.25Å; S440-N444 WeakPolarHBondContact O-CB 3.49Å; S440-N444 PolarHBondContact O-N 2.95Å; S440-N444 PolarHBondContact O-OD1 3.45Å; N444-I446 VanDerWaalsContact C-N 3.26Å; N444-I446 PolarHBondContact O-N 3.37Å; N444-V447 PolarHBondContact O-N 2.74Å; N444-V447 VanDerWaalsContact O-N 3.11Å; N444-E448 WeakPolarHBondContact O-CB 3.31Å; N444-E448 PolarHBondContact O-N 3.41Å; N444-E500 PolarHBondContact ND2-OE2 3.28Å; N444-E500 VanDerWaalsContact ND2-OE2 3.17Å |
| 445 | Q | 85.4 | Confident | 84.6 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.2 | -37.1 | -179.1 | -163.4 | 82.7 | 123.2 | 0 | 0 | 113.4 | Q441 I442 L443 S449 L450 T528 E529 S532 | Q441-Q445 WeakPolarHBondContact O-CB 3.5Å; Q441-Q445 PolarHBondContact O-N 2.71Å; I442-Q445 PolarHBondContact O-N 2.93Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 2.94Å; Q445-S449 PolarHBondContact O-N 2.99Å; Q445-S449 PolarHBondContact O-OG 3.34Å; Q445-L450 PolarHBondContact O-N 3.24Å; Q445-T528 PolarHBondContact OE1-OG1 2.82Å; Q445-E529 PolarHBondContact NE2-OE1 2.96Å; Q445-E529 PolarHBondContact NE2-OE2 3.1Å; Q445-E529 PolarHBondContact OE1-OE2 3.45Å; Q445-S532 VanDerWaalsContact CD-CB 3.45Å; Q445-S532 PolarHBondContact NE2-OG 3.14Å |
| 446 | I | 87.1 | Confident | 85 | Confident | 78 Ų | 78 | 60 Ų | 60 | 40% | 0.4 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -67.9 | -49.1 | 176.1 | -67.5 | 167.8 | 0 | 0 | 0 | 111.1 | I442 L443 N444 L450 L451 | I442-I446 HydrophobicContact CG2-CD1 4.07Å; I442-I446 WeakPolarHBondContact O-CG1 3.47Å; I442-I446 PolarHBondContact O-N 2.8Å; L443-I446 PolarHBondContact O-N 3.34Å; N444-I446 VanDerWaalsContact C-N 3.26Å; N444-I446 PolarHBondContact O-N 3.37Å; I446-L450 HydrophobicContact CG1-CD1 4.22Å; I446-L450 PolarHBondContact O-N 3.49Å; I446-L451 VanDerWaalsContact O-CB 3.23Å; I446-L451 WeakPolarHBondContact O-CB 3.38Å; I446-L451 PolarHBondContact O-N 2.83Å |
| 447 | V | 84.6 | Confident | 85.6 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 47% | 0.473 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -73.6 | -33.6 | -173.2 | 173.1 | 0 | 0 | 0 | 0 | 112 | L443 N444 P452 | L443-V447 WeakPolarHBondContact O-CG2 3.32Å; L443-V447 PolarHBondContact O-N 2.92Å; N444-V447 PolarHBondContact O-N 2.74Å; N444-V447 VanDerWaalsContact O-N 3.11Å; V447-P452 WeakPolarHBondContact O-CD 3.41Å; V447-P452 VanDerWaalsContact O-CG 3.3Å; V447-P452 WeakPolarHBondContact O-CG 3.25Å |
| 448 | E | 82.8 | Confident | 86 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -83.3 | -42.2 | -172.5 | 178 | 158.9 | -155.6 | 0 | 0 | 113.4 | N444 P452 K536 | N444-E448 WeakPolarHBondContact O-CB 3.31Å; N444-E448 PolarHBondContact O-N 3.41Å; E448-P452 WeakPolarHBondContact O-CG 3.21Å; E448-K536 HydrophobicContact CG-CD 3.77Å; E448-K536 IonicContact OE1-NZ 2.73Å; E448-K536 PolarHBondContact OE1-NZ 3.14Å |
| 449 | S | 82.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -122.1 | -51.9 | -174 | 78.1 | 0 | 0 | 0 | 0 | 113.4 | Q445 Y453 S532 | Q445-S449 PolarHBondContact O-N 2.99Å; Q445-S449 PolarHBondContact O-OG 3.34Å; S449-Y453 WeakPolarHBondContact O-CB 3.24Å; S449-Y453 PolarHBondContact O-N 3.15Å; S449-S532 WeakPolarHBondContact CB-OG 3.28Å; S449-S532 PolarHBondContact OG-OG 3.47Å |
| 450 | L | 87.3 | Confident | 86.5 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 48% | 0.482 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -67.3 | -46.6 | -169.9 | -64.5 | 176.4 | 0 | 0 | 0 | 112.5 | Q445 I446 W454 | Q445-L450 PolarHBondContact O-N 3.24Å; I446-L450 HydrophobicContact CG1-CD1 4.22Å; I446-L450 PolarHBondContact O-N 3.49Å; L450-W454 WeakPolarHBondContact O-CB 3.33Å; L450-W454 PolarHBondContact O-N 3.41Å |
| 451 | L | 89.3 | Confident | 87.1 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 42% | 0.424 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -51.2 | 179.2 | 173.6 | 68.8 | 0 | 0 | 0 | 111.4 | I446 Y453 W454 L455 | I446-L451 VanDerWaalsContact O-CB 3.23Å; I446-L451 WeakPolarHBondContact O-CB 3.38Å; I446-L451 PolarHBondContact O-N 2.83Å; L451-Y453 VanDerWaalsContact C-N 3.32Å; L451-Y453 PolarHBondContact O-N 3.47Å; L451-W454 PolarHBondContact O-N 2.9Å; L451-L455 HydrophobicContact CD1-CD1 4.2Å; L451-L455 HydrophobicContact CD1-CG 4.3Å; L451-L455 HydrophobicContact CG-CD1 4.17Å; L451-L455 WeakPolarHBondContact O-CG 3.09Å; L451-L455 PolarHBondContact O-N 3.5Å |
| 452 | P | 90.8 | Very high | 87.3 | Confident | 35 Ų | 35 | 78 Ų | 78 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 174.3 | -28.9 | 38.5 | 0 | 0 | 0 | 113.3 | V447 E448 L455 Q456 V540 | V447-P452 WeakPolarHBondContact O-CD 3.41Å; V447-P452 VanDerWaalsContact O-CG 3.3Å; V447-P452 WeakPolarHBondContact O-CG 3.25Å; E448-P452 WeakPolarHBondContact O-CG 3.21Å; P452-L455 PolarHBondContact O-N 3.26Å; P452-Q456 VanDerWaalsContact O-CB 3.24Å; P452-Q456 WeakPolarHBondContact O-CB 3.2Å; P452-Q456 PolarHBondContact O-N 3.29Å; P452-V540 HydrophobicContact CB-CG1 3.48Å; P452-V540 VanDerWaalsContact CB-CG1 3.48Å; P452-V540 HydrophobicContact CB-CG2 4.43Å |
| 453 | Y | 90.3 | Very high | 87.3 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 27% | 0.271 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 176 | 171.9 | -102.2 | 0 | 0 | 0 | 112.2 | S449 L451 Q456 R457 L535 R539 | S449-Y453 WeakPolarHBondContact O-CB 3.24Å; S449-Y453 PolarHBondContact O-N 3.15Å; L451-Y453 VanDerWaalsContact C-N 3.32Å; L451-Y453 PolarHBondContact O-N 3.47Å; Y453-Q456 PolarHBondContact O-N 3.35Å; Y453-R457 VanDerWaalsContact O-CB 3.24Å; Y453-R457 WeakPolarHBondContact O-CB 3.49Å; Y453-R457 PolarHBondContact O-N 3.18Å; Y453-L535 HydrophobicContact CD1-CD2 4.39Å; Y453-L535 HydrophobicContact CD2-CD1 3.88Å; Y453-L535 HydrophobicContact CD2-CD2 4.08Å; Y453-L535 HydrophobicContact CD2-CG 4.07Å; Y453-L535 HydrophobicContact CE2-CD1 3.84Å; Y453-L535 HydrophobicContact CG-CD2 3.97Å; Y453-L535 HydrophobicContact CG-CG 4.43Å; Y453-R539 HydrophobicContact CD2-CB 3.99Å; Y453-R539 HydrophobicContact CE2-CB 4Å; Y453-R539 HydrophobicContact CE2-CG 4.44Å |
| 454 | W | 91.3 | Very high | 87.4 | Confident | 152 Ų | 152 | 74.3 Ų | 74.3 | 58% | 0.576 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 178 | 179.6 | 82.5 | 0 | 0 | 0 | 111.8 | L450 L451 R457 K458 | L450-W454 WeakPolarHBondContact O-CB 3.33Å; L450-W454 PolarHBondContact O-N 3.41Å; L451-W454 PolarHBondContact O-N 2.9Å; W454-R457 PolarHBondContact O-N 3Å; W454-K458 HydrophobicContact CH2-CD 4.25Å; W454-K458 HydrophobicContact CZ2-CD 4.47Å; W454-K458 WeakPolarHBondContact O-CB 3.26Å; W454-K458 PolarHBondContact O-N 2.62Å |
| 455 | L | 91.4 | Very high | 87.6 | Confident | 87 Ų | 87 | 80 Ų | 80 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.2 | -70.3 | 173.6 | 0 | 0 | 0 | 111.4 | L451 P452 K458 H459 | L451-L455 HydrophobicContact CD1-CD1 4.2Å; L451-L455 HydrophobicContact CD1-CG 4.3Å; L451-L455 HydrophobicContact CG-CD1 4.17Å; L451-L455 WeakPolarHBondContact O-CG 3.09Å; L451-L455 PolarHBondContact O-N 3.5Å; P452-L455 PolarHBondContact O-N 3.26Å; L455-K458 PolarHBondContact O-N 3.33Å; L455-H459 WeakPolarHBondContact O-CB 3.33Å; L455-H459 PolarHBondContact O-N 2.89Å |
| 456 | Q | 89.7 | Confident | 87.4 | Confident | 26 Ų | 26 | 85.6 Ų | 85.6 | 12% | 0.121 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 179.9 | -172.7 | 56.5 | 23 | 0 | 0 | 112 | P452 Y453 H459 G460 R539 | P452-Q456 VanDerWaalsContact O-CB 3.24Å; P452-Q456 WeakPolarHBondContact O-CB 3.2Å; P452-Q456 PolarHBondContact O-N 3.29Å; Y453-Q456 PolarHBondContact O-N 3.35Å; Q456-H459 PolarHBondContact O-N 3.47Å; Q456-G460 PolarHBondContact O-N 2.8Å; Q456-R539 WeakPolarHBondContact CG-O 3.23Å |
| 457 | R | 90.7 | Very high | 86.8 | Confident | 159 Ų | 159 | 83.5 Ų | 83.5 | 60% | 0.6 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 174.6 | -175.6 | 175.2 | 178.3 | 177.2 | -2.6 | 111.6 | Y453 W454 H459 G460 V461 | Y453-R457 VanDerWaalsContact O-CB 3.24Å; Y453-R457 WeakPolarHBondContact O-CB 3.49Å; Y453-R457 PolarHBondContact O-N 3.18Å; W454-R457 PolarHBondContact O-N 3Å; R457-H459 VanDerWaalsContact C-N 3.29Å; R457-H459 PolarHBondContact O-N 3.48Å; R457-G460 PolarHBondContact O-N 3.42Å; R457-V461 WeakPolarHBondContact O-CG2 3.28Å; R457-V461 PolarHBondContact O-N 3.14Å |
| 458 | K | 91.3 | Very high | 86.5 | Confident | 134 Ų | 134 | 85.9 Ų | 85.9 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 175 | -178.6 | -179.6 | 176.8 | -178.8 | 0 | 110.9 | W454 L455 R462 | W454-K458 HydrophobicContact CH2-CD 4.25Å; W454-K458 HydrophobicContact CZ2-CD 4.47Å; W454-K458 WeakPolarHBondContact O-CB 3.26Å; W454-K458 PolarHBondContact O-N 2.62Å; L455-K458 PolarHBondContact O-N 3.33Å; K458-R462 PolarHBondContact O-N 2.87Å; K458-R462 VanDerWaalsContact O-N 3.16Å |
| 459 | H | 87.8 | Confident | 86.2 | Confident | 50 Ų | 50 | 87.7 Ų | 87.7 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 176.3 | -177 | 79.8 | 0 | 0 | 0 | 112 | L455 Q456 R457 V461 R462 V463 E487 | L455-H459 WeakPolarHBondContact O-CB 3.33Å; L455-H459 PolarHBondContact O-N 2.89Å; Q456-H459 PolarHBondContact O-N 3.47Å; R457-H459 VanDerWaalsContact C-N 3.29Å; R457-H459 PolarHBondContact O-N 3.48Å; H459-V461 PolarHBondContact O-N 2.93Å; H459-R462 WeakPolarHBondContact O-CA 3.12Å; H459-R462 VanDerWaalsContact O-CB 3.32Å; H459-R462 WeakPolarHBondContact O-CB 3.16Å; H459-R462 PolarHBondContact O-N 2.95Å; H459-V463 WeakPolarHBondContact NE2-CG2 3.31Å; H459-V463 PolarHBondContact O-N 3.29Å; H459-E487 IonicContact CE1-OE2 3.29Å; H459-E487 PolarHBondContact CE1-OE2 3.42Å; H459-E487 IonicContact NE2-OE2 3.92Å; H459-E487 PolarHBondContact NE2-OE2 3.33Å |
| 460 | G | 86.2 | Confident | 85.7 | Confident | 19 Ų | 19 | 91.6 Ų | 91.6 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q456 R457 R462 V463 K464 | Q456-G460 PolarHBondContact O-N 2.8Å; R457-G460 PolarHBondContact O-N 3.42Å; G460-R462 VanDerWaalsContact C-N 3.29Å; G460-R462 PolarHBondContact O-N 3.48Å; G460-V463 PolarHBondContact O-N 2.67Å; G460-K464 VanDerWaalsContact O-CB 3.29Å; G460-K464 WeakPolarHBondContact O-CB 3.4Å; G460-K464 PolarHBondContact O-N 2.91Å |
| 461 | V | 89.1 | Confident | 84.2 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 172.6 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | R457 H459 R465 | R457-V461 WeakPolarHBondContact O-CG2 3.28Å; R457-V461 PolarHBondContact O-N 3.14Å; H459-V461 PolarHBondContact O-N 2.93Å; V461-R465 WeakPolarHBondContact O-CB 3.4Å; V461-R465 VanDerWaalsContact O-CG 3.28Å; V461-R465 WeakPolarHBondContact O-CG 3.23Å; V461-R465 PolarHBondContact O-N 3.35Å |
| 462 | R | 88.4 | Confident | 82.7 | Confident | 191 Ų | 191 | 94.8 Ų | 94.8 | 72% | 0.721 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.1 | -46.9 | 177.5 | -176 | -178.3 | -179.7 | 175.6 | -0.1 | 111.9 | K458 H459 G460 R465 K466 | K458-R462 PolarHBondContact O-N 2.87Å; K458-R462 VanDerWaalsContact O-N 3.16Å; H459-R462 WeakPolarHBondContact O-CA 3.12Å; H459-R462 VanDerWaalsContact O-CB 3.32Å; H459-R462 WeakPolarHBondContact O-CB 3.16Å; H459-R462 PolarHBondContact O-N 2.95Å; G460-R462 VanDerWaalsContact C-N 3.29Å; G460-R462 PolarHBondContact O-N 3.48Å; R462-R465 PolarHBondContact O-N 3.05Å; R462-K466 PolarHBondContact O-N 2.93Å |
| 463 | V | 83.9 | Confident | 80.9 | Confident | 13 Ų | 13 | 101.7 Ų | 101.7 | 8% | 0.079 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | H459 G460 R465 K466 M467 I483 L484 | H459-V463 WeakPolarHBondContact NE2-CG2 3.31Å; H459-V463 PolarHBondContact O-N 3.29Å; G460-V463 PolarHBondContact O-N 2.67Å; V463-R465 VanDerWaalsContact C-N 3.35Å; V463-R465 PolarHBondContact O-N 2.91Å; V463-K466 WeakPolarHBondContact O-CB 3.49Å; V463-K466 PolarHBondContact O-N 3.1Å; V463-K466 VanDerWaalsContact O-N 3.08Å; V463-M467 HydrophobicContact CG1-CG 4.38Å; V463-M467 WeakPolarHBondContact O-CG 3.29Å; V463-M467 PolarHBondContact O-N 3.14Å; V463-I483 HydrophobicContact CG1-CG2 4.27Å; V463-L484 HydrophobicContact CB-CD1 4.32Å |
| 464 | K | 83.6 | Confident | 79.1 | Confident | 106 Ų | 106 | 100.7 Ų | 100.7 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 178.1 | -173.5 | 165 | -171 | 169.9 | 0 | 112.9 | G460 M467 Q468 E480 | G460-K464 VanDerWaalsContact O-CB 3.29Å; G460-K464 WeakPolarHBondContact O-CB 3.4Å; G460-K464 PolarHBondContact O-N 2.91Å; K464-M467 PolarHBondContact O-N 3.13Å; K464-Q468 WeakPolarHBondContact O-CB 3.4Å; K464-Q468 VanDerWaalsContact O-CG 3.32Å; K464-Q468 WeakPolarHBondContact O-CG 3.17Å; K464-Q468 PolarHBondContact O-N 3.39Å; K464-E480 WeakPolarHBondContact CG-OE1 3.23Å |
| 465 | R | 85.9 | Confident | 77.5 | Confident | 175 Ų | 175 | 100.4 Ų | 100.4 | 66% | 0.66 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 174.3 | -76.6 | 177.8 | -177 | -178.4 | 1.6 | 112.3 | V461 R462 V463 M467 Q468 A469 | V461-R465 WeakPolarHBondContact O-CB 3.4Å; V461-R465 VanDerWaalsContact O-CG 3.28Å; V461-R465 WeakPolarHBondContact O-CG 3.23Å; V461-R465 PolarHBondContact O-N 3.35Å; R462-R465 PolarHBondContact O-N 3.05Å; V463-R465 VanDerWaalsContact C-N 3.35Å; V463-R465 PolarHBondContact O-N 2.91Å; R465-M467 VanDerWaalsContact C-N 3.33Å; R465-Q468 PolarHBondContact O-N 3.46Å; R465-A469 PolarHBondContact O-N 3.24Å; R465-A469 VanDerWaalsContact O-N 3.13Å |
| 466 | K | 81.6 | Confident | 76.3 | Confident | 142 Ų | 142 | 98.1 Ų | 98.1 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.6 | -40.5 | 176.6 | -172.3 | -178 | 176.6 | -173 | 0 | 111.2 | R462 V463 | R462-K466 PolarHBondContact O-N 2.93Å; V463-K466 WeakPolarHBondContact O-CB 3.49Å; V463-K466 PolarHBondContact O-N 3.1Å; V463-K466 VanDerWaalsContact O-N 3.08Å |
| 467 | M | 74.9 | Confident | 75.8 | Confident | 33 Ų | 33 | 101.8 Ų | 101.8 | 16% | 0.163 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -70.4 | -43.3 | 178.1 | -66.2 | -59.3 | 149 | 0 | 0 | 112.5 | V463 K464 R465 A469 L470 Y479 E480 I483 | V463-M467 HydrophobicContact CG1-CG 4.38Å; V463-M467 WeakPolarHBondContact O-CG 3.29Å; V463-M467 PolarHBondContact O-N 3.14Å; K464-M467 PolarHBondContact O-N 3.13Å; R465-M467 VanDerWaalsContact C-N 3.33Å; M467-A469 PolarHBondContact O-N 3.16Å; M467-L470 WeakPolarHBondContact O-CB 3.41Å; M467-L470 PolarHBondContact O-N 3.35Å; M467-Y479 HydrophobicContact CE-CE1 3.89Å; M467-Y479 HydrophobicContact SD-CD1 4.08Å; M467-Y479 HydrophobicContact SD-CE1 3.74Å; M467-E480 HydrophobicContact CG-CG 4.39Å; M467-I483 HydrophobicContact CE-CG2 4.29Å |
| 468 | Q | 76.9 | Confident | 75.5 | Confident | 128 Ų | 128 | 96.3 Ų | 96.3 | 60% | 0.598 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.5 | -33.4 | 175.8 | -75.3 | 177.8 | -15.7 | 0 | 0 | 112.9 | K464 R465 L470 | K464-Q468 WeakPolarHBondContact O-CB 3.4Å; K464-Q468 VanDerWaalsContact O-CG 3.32Å; K464-Q468 WeakPolarHBondContact O-CG 3.17Å; K464-Q468 PolarHBondContact O-N 3.39Å; R465-Q468 PolarHBondContact O-N 3.46Å; Q468-L470 PolarHBondContact O-N 2.99Å |
| 469 | A | 77.7 | Confident | 75.2 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 66% | 0.661 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.6 | -22.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R465 M467 | R465-A469 PolarHBondContact O-N 3.24Å; R465-A469 VanDerWaalsContact O-N 3.13Å; M467-A469 PolarHBondContact O-N 3.16Å |
| 470 | L | 70.9 | Confident | 75 | Confident | 84 Ų | 84 | 91.3 Ų | 91.3 | 44% | 0.44 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0.7 | -175.3 | -125.8 | 75.8 | 0 | 0 | 0 | 114.5 | L64 M467 Q468 T472 | L64-L470 HydrophobicContact CD2-CD2 3.27Å; M467-L470 WeakPolarHBondContact O-CB 3.41Å; M467-L470 PolarHBondContact O-N 3.35Å; Q468-L470 PolarHBondContact O-N 2.99Å; L470-T472 PolarHBondContact O-N 3.49Å; L470-T472 VanDerWaalsContact O-N 3.14Å; L470-T472 PolarHBondContact O-OG1 3.4Å |
| 471 | K | 56.5 | Low | 75.2 | Confident | 195 Ų | 195 | 92 Ų | 92 | 85% | 0.848 | 46% | 0.462 | S | S | * | . | trans | 27.2 | 67.5 | 173.3 | -70.1 | -171.8 | 179 | -178.2 | 0 | 114.6 | ||||
| 472 | T | 57 | Low | 75.2 | Confident | 45 Ų | 45 | 88.7 Ų | 88.7 | 28% | 0.276 | 44% | 0.443 | S | S | . | . | trans | -100.5 | 131.2 | 177.4 | -18.7 | 0 | 0 | 0 | 0 | 109.5 | L470 S474 | L470-T472 PolarHBondContact O-N 3.49Å; L470-T472 VanDerWaalsContact O-N 3.14Å; L470-T472 PolarHBondContact O-OG1 3.4Å; T472-S474 VanDerWaalsContact C-N 3.33Å | ||
| 473 | D | 52.9 | Low | 75.3 | Confident | 179 Ų | 179 | 79.9 Ų | 79.9 | 96% | 0.957 | 41% | 0.41 | S | S | * | . | trans | -81.7 | -2.6 | -179.1 | -91.2 | -21.8 | 0 | 0 | 0 | 113.9 | ||||
| 474 | S | 54.3 | Low | 75.5 | Confident | 49 Ų | 49 | 81.5 Ų | 81.5 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -91.2 | 176.3 | 179.2 | 69.3 | 0 | 0 | 0 | 0 | 113 | E60 T472 A476 | E60-S474 VanDerWaalsContact OE1-CB 3.23Å; E60-S474 WeakPolarHBondContact OE1-CB 3.36Å; E60-S474 PolarHBondContact OE1-OG 2.98Å; T472-S474 VanDerWaalsContact C-N 3.33Å; S474-A476 PolarHBondContact O-N 2.98Å |
| 475 | D | 57.3 | Low | 75.9 | Confident | 145 Ų | 145 | 76.7 Ų | 76.7 | 78% | 0.775 | 40% | 0.397 | S | S | * | . | trans | -59.1 | 62.9 | 177.4 | -75.4 | -33.4 | 0 | 0 | 0 | 112.9 | T477 | D475-T477 PolarHBondContact O-N 3.41Š| ||
| 476 | A | 66 | Low | 76.2 | Confident | 40 Ų | 40 | 70 Ų | 70 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -12.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S474 E480 | S474-A476 PolarHBondContact O-N 2.98Å; A476-E480 WeakPolarHBondContact O-CB 3.27Å; A476-E480 PolarHBondContact O-N 2.97Å |
| 477 | T | 79.7 | Confident | 76.6 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 63% | 0.632 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | -178.3 | -45.3 | 0 | 0 | 0 | 0 | 112.4 | D475 Q481 | D475-T477 PolarHBondContact O-N 3.41Å; T477-Q481 VanDerWaalsContact O-CB 3.31Å; T477-Q481 WeakPolarHBondContact O-CB 3.5Å; T477-Q481 PolarHBondContact O-N 2.76Å |
| 478 | L | 84.3 | Confident | 77.4 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.9 | -40 | 178.8 | 179.2 | 64.3 | 0 | 0 | 0 | 111.2 | P17 L55 L71 L173 Q481 V482 | P17-L478 HydrophobicContact CG-CD1 3.81Å; P17-L478 HydrophobicContact CG-CD2 3.93Å; L55-L478 HydrophobicContact CD1-CG 4.44Å; L71-L478 HydrophobicContact CD1-CD2 3.9Å; L173-L478 HydrophobicContact CD1-CD1 4.32Å; L478-Q481 PolarHBondContact O-N 3.48Å; L478-V482 HydrophobicContact CD1-CG2 4.15Å; L478-V482 HydrophobicContact CG-CG2 4.41Å; L478-V482 VanDerWaalsContact O-CG2 3.22Å; L478-V482 WeakPolarHBondContact O-CG2 3.44Å; L478-V482 PolarHBondContact O-N 2.8Å |
| 479 | Y | 83.7 | Confident | 78 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 176.3 | -179.9 | -101.5 | 0 | 0 | 0 | 111.3 | L55 L56 L64 M467 Q481 V482 I483 | L55-Y479 HydrophobicContact CD2-CD2 3.53Å; L55-Y479 HydrophobicContact CD2-CE2 3.9Å; L55-Y479 HydrophobicContact CG-CD2 3.96Å; L56-Y479 HydrophobicContact CD1-CD2 4.2Å; L56-Y479 HydrophobicContact CD1-CE2 3.8Å; L56-Y479 HydrophobicContact CD2-CD2 3.61Å; L56-Y479 HydrophobicContact CD2-CE2 4.1Å; L56-Y479 HydrophobicContact CD2-CG 4.22Å; L56-Y479 HydrophobicContact CG-CD2 3.98Å; L56-Y479 HydrophobicContact CG-CE2 4.08Å; L64-Y479 HydrophobicContact CD1-CD1 4.07Å; L64-Y479 HydrophobicContact CD1-CD2 4.38Å; L64-Y479 HydrophobicContact CD1-CE1 3.9Å; L64-Y479 HydrophobicContact CD1-CE2 4.25Å; L64-Y479 HydrophobicContact CD1-CG 4.31Å; L64-Y479 HydrophobicContact CD2-CE1 3.88Å; L64-Y479 HydrophobicContact CG-CE1 4.46Å; M467-Y479 HydrophobicContact CE-CE1 3.89Å; M467-Y479 HydrophobicContact SD-CD1 4.08Å; M467-Y479 HydrophobicContact SD-CE1 3.74Å; Y479-Q481 VanDerWaalsContact C-N 3.29Å; Y479-Q481 PolarHBondContact O-N 2.84Å; Y479-V482 PolarHBondContact O-N 3.41Å; Y479-I483 HydrophobicContact CD1-CG1 4.25Å; Y479-I483 HydrophobicContact CD2-CG1 4.28Å; Y479-I483 HydrophobicContact CE1-CG1 3.91Å; Y479-I483 HydrophobicContact CE2-CD1 4Å; Y479-I483 HydrophobicContact CE2-CG1 3.92Å; Y479-I483 HydrophobicContact CG-CG1 4.43Å; Y479-I483 VanDerWaalsContact O-CG1 3.25Å; Y479-I483 WeakPolarHBondContact O-CG1 3.35Å; Y479-I483 PolarHBondContact O-N 3.1Å |
| 480 | E | 84.3 | Confident | 78.7 | Confident | 59 Ų | 59 | 63 Ų | 63 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56 | -45.5 | 176.1 | -178.1 | -178.7 | -177.6 | 0 | 0 | 111.2 | K464 M467 A476 I483 L484 | K464-E480 WeakPolarHBondContact CG-OE1 3.23Å; M467-E480 HydrophobicContact CG-CG 4.39Å; A476-E480 WeakPolarHBondContact O-CB 3.27Å; A476-E480 PolarHBondContact O-N 2.97Å; E480-I483 PolarHBondContact O-N 3.36Å; E480-L484 WeakPolarHBondContact O-CB 3.41Å; E480-L484 PolarHBondContact O-N 2.95Å |
| 481 | Q | 89.6 | Confident | 79.7 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 15% | 0.15 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 178.2 | 178.8 | 180 | -12.4 | 0 | 0 | 111.8 | H174 N176 T477 L478 Y479 I483 L484 E485 | H174-Q481 PolarHBondContact O-NE2 3.35Å; N176-Q481 PolarHBondContact ND2-OE1 3.38Å; T477-Q481 VanDerWaalsContact O-CB 3.31Å; T477-Q481 WeakPolarHBondContact O-CB 3.5Å; T477-Q481 PolarHBondContact O-N 2.76Å; L478-Q481 PolarHBondContact O-N 3.48Å; Y479-Q481 VanDerWaalsContact C-N 3.29Å; Y479-Q481 PolarHBondContact O-N 2.84Å; Q481-I483 VanDerWaalsContact C-N 3.33Å; Q481-I483 PolarHBondContact O-N 2.92Å; Q481-L484 PolarHBondContact O-N 3.48Å; Q481-E485 HydrophobicContact CG-CG 4.48Å; Q481-E485 WeakPolarHBondContact CG-OE1 3.19Å; Q481-E485 PolarHBondContact NE2-OE1 2.89Å; Q481-E485 WeakPolarHBondContact O-CB 3.32Å; Q481-E485 WeakPolarHBondContact O-CG 3.46Å; Q481-E485 PolarHBondContact O-N 2.92Å |
| 482 | V | 90.6 | Very high | 81 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | -177.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | V20 L55 L69 L71 L173 L478 Y479 E485 K486 | V20-V482 HydrophobicContact CG1-CG1 4.09Å; V20-V482 HydrophobicContact CG2-CG1 4.2Å; V20-V482 HydrophobicContact CG2-CG2 4.36Å; L55-V482 HydrophobicContact CD1-CB 4.16Å; L55-V482 HydrophobicContact CD1-CG1 4.37Å; L55-V482 HydrophobicContact CD1-CG2 3.84Å; L55-V482 HydrophobicContact CD2-CB 4.1Å; L55-V482 HydrophobicContact CD2-CG1 3.84Å; L69-V482 HydrophobicContact CD1-CG1 4.17Å; L69-V482 HydrophobicContact CD2-CG1 4.5Å; L71-V482 HydrophobicContact CD2-CG2 4.27Å; L173-V482 HydrophobicContact CD1-CG2 4.37Å; L173-V482 HydrophobicContact CD2-CG2 3.94Å; L478-V482 HydrophobicContact CD1-CG2 4.15Å; L478-V482 HydrophobicContact CG-CG2 4.41Å; L478-V482 VanDerWaalsContact O-CG2 3.22Å; L478-V482 WeakPolarHBondContact O-CG2 3.44Å; L478-V482 PolarHBondContact O-N 2.8Å; Y479-V482 PolarHBondContact O-N 3.41Å; V482-E485 PolarHBondContact O-N 2.98Å; V482-K486 WeakPolarHBondContact O-CB 3.19Å; V482-K486 PolarHBondContact O-N 3.46Å |
| 483 | I | 88.9 | Confident | 82.3 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 178.3 | -64.5 | -64.6 | 0 | 0 | 0 | 111.1 | L69 V463 M467 Y479 E480 Q481 K486 E487 | L69-I483 HydrophobicContact CD1-CD1 3.82Å; V463-I483 HydrophobicContact CG1-CG2 4.27Å; M467-I483 HydrophobicContact CE-CG2 4.29Å; Y479-I483 HydrophobicContact CD1-CG1 4.25Å; Y479-I483 HydrophobicContact CD2-CG1 4.28Å; Y479-I483 HydrophobicContact CE1-CG1 3.91Å; Y479-I483 HydrophobicContact CE2-CD1 4Å; Y479-I483 HydrophobicContact CE2-CG1 3.92Å; Y479-I483 HydrophobicContact CG-CG1 4.43Å; Y479-I483 VanDerWaalsContact O-CG1 3.25Å; Y479-I483 WeakPolarHBondContact O-CG1 3.35Å; Y479-I483 PolarHBondContact O-N 3.1Å; E480-I483 PolarHBondContact O-N 3.36Å; Q481-I483 VanDerWaalsContact C-N 3.33Å; Q481-I483 PolarHBondContact O-N 2.92Å; I483-K486 PolarHBondContact O-N 3.38Å; I483-E487 PolarHBondContact O-N 3.28Å |
| 484 | L | 89 | Confident | 84.1 | Confident | 46 Ų | 46 | 50 Ų | 50 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 176.3 | -172.9 | 80.3 | 0 | 0 | 0 | 111.4 | V463 E480 Q481 K486 E487 M488 | V463-L484 HydrophobicContact CB-CD1 4.32Å; E480-L484 WeakPolarHBondContact O-CB 3.41Å; E480-L484 PolarHBondContact O-N 2.95Å; Q481-L484 PolarHBondContact O-N 3.48Å; L484-K486 VanDerWaalsContact C-N 3.34Å; L484-K486 PolarHBondContact O-N 2.94Å; L484-E487 PolarHBondContact O-N 2.79Å; L484-M488 HydrophobicContact CD2-CE 3.89Å; L484-M488 HydrophobicContact CG-CE 4.06Å; L484-M488 PolarHBondContact O-N 3.08Å |
| 485 | E | 92.4 | Very high | 85.7 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.9 | -29.3 | -179.9 | -71.2 | -176.3 | -139.4 | 0 | 0 | 112.3 | F171 L173 H174 Q481 V482 E487 M488 K542 | F171-E485 HydrophobicContact CE2-CB 3.96Å; L173-E485 WeakPolarHBondContact CA-OE2 3.2Å; H174-E485 WeakPolarHBondContact CB-OE1 3.25Å; H174-E485 IonicContact CD2-OE2 2.76Å; H174-E485 PolarHBondContact N-OE1 3.32Å; H174-E485 PolarHBondContact N-OE2 2.8Å; Q481-E485 HydrophobicContact CG-CG 4.48Å; Q481-E485 WeakPolarHBondContact CG-OE1 3.19Å; Q481-E485 PolarHBondContact NE2-OE1 2.89Å; Q481-E485 WeakPolarHBondContact O-CB 3.32Å; Q481-E485 WeakPolarHBondContact O-CG 3.46Å; Q481-E485 PolarHBondContact O-N 2.92Å; V482-E485 PolarHBondContact O-N 2.98Å; E485-E487 VanDerWaalsContact C-N 3.25Å; E485-E487 PolarHBondContact O-N 3.39Å; E485-M488 HydrophobicContact CB-SD 4.49Å; E485-M488 HydrophobicContact CG-SD 4.12Å; E485-M488 PolarHBondContact O-N 3.07Å; E485-K542 WeakPolarHBondContact O-CD 3.49Å; E485-K542 WeakPolarHBondContact O-CE 3.26Å; E485-K542 VanDerWaalsContact O-CG 3.23Å; E485-K542 WeakPolarHBondContact O-CG 3.34Å; E485-K542 PolarHBondContact O-NZ 3.02Å |
| 486 | K | 91.3 | Very high | 87.2 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 175.3 | -172.5 | -172.2 | 93.7 | 76.6 | 0 | 112.2 | E22 Q67 L69 Q169 F171 V482 I483 L484 K542 | E22-K486 WeakPolarHBondContact OE1-CD 3.26Å; E22-K486 IonicContact OE1-NZ 2.82Å; E22-K486 PolarHBondContact OE1-NZ 2.72Å; Q67-K486 VanDerWaalsContact OE1-CE 3.3Å; L69-K486 HydrophobicContact CD1-CD 3.9Å; L69-K486 HydrophobicContact CD2-CD 3.86Å; L69-K486 HydrophobicContact CD2-CG 4.39Å; L69-K486 HydrophobicContact CG-CD 4.35Å; Q169-K486 PolarHBondContact NE2-O 2.66Å; Q169-K486 VanDerWaalsContact NE2-O 3.13Å; F171-K486 HydrophobicContact CZ-CB 4.2Å; V482-K486 WeakPolarHBondContact O-CB 3.19Å; V482-K486 PolarHBondContact O-N 3.46Å; I483-K486 PolarHBondContact O-N 3.38Å; L484-K486 VanDerWaalsContact C-N 3.34Å; L484-K486 PolarHBondContact O-N 2.94Å; K486-K542 PolarHBondContact O-NZ 3.09Å |
| 487 | E | 90 | Very high | 88.4 | Confident | 91 Ų | 91 | 43.1 Ų | 43.1 | 43% | 0.425 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -94.2 | -8.5 | -175.3 | -63.4 | -177.6 | -173.4 | 0 | 0 | 113.4 | H459 I483 L484 E485 | H459-E487 IonicContact CE1-OE2 3.29Å; H459-E487 PolarHBondContact CE1-OE2 3.42Å; H459-E487 IonicContact NE2-OE2 3.92Å; H459-E487 PolarHBondContact NE2-OE2 3.33Å; I483-E487 PolarHBondContact O-N 3.28Å; L484-E487 PolarHBondContact O-N 2.79Å; E485-E487 VanDerWaalsContact C-N 3.25Å; E485-E487 PolarHBondContact O-N 3.39Å |
| 488 | M | 91.1 | Very high | 89.1 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -63.1 | 158.5 | 172.9 | -81.4 | 174 | 176.5 | 0 | 0 | 112.8 | L484 E485 K542 | L484-M488 HydrophobicContact CD2-CE 3.89Å; L484-M488 HydrophobicContact CG-CE 4.06Å; L484-M488 PolarHBondContact O-N 3.08Å; E485-M488 HydrophobicContact CB-SD 4.49Å; E485-M488 HydrophobicContact CG-SD 4.12Å; E485-M488 PolarHBondContact O-N 3.07Å; M488-K542 HydrophobicContact CB-CD 4.49Å; M488-K542 HydrophobicContact CB-CG 3.49Å; M488-K542 VanDerWaalsContact CB-CG 3.49Å; M488-K542 WeakPolarHBondContact O-CE 3.16Å |
| 489 | G | 91.2 | Very high | 89.4 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -67.6 | 148.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F541 K542 | G489-F541 WeakPolarHBondContact O-CA 3.19Å; G489-K542 PolarHBondContact O-N 3.17Å |
| 490 | T | 92 | Very high | 89.7 | Confident | 85 Ų | 85 | 37.4 Ų | 37.4 | 52% | 0.521 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -90 | 131.8 | 170.6 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | L492 | T490-L492 PolarHBondContact O-N 3.48Š|
| 491 | Y | 91.1 | Very high | 90.2 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -71 | 119.9 | 173.5 | -179.7 | -110.4 | 0 | 0 | 0 | 110.2 | I208 G493 T494 D497 M537 F541 P544 | I208-Y491 HydrophobicContact CG1-CE1 4.38Å; Y491-G493 VanDerWaalsContact C-N 3.25Å; Y491-G493 VanDerWaalsContact CZ-C 3.48Å; Y491-G493 PolarHBondContact O-N 3.1Å; Y491-G493 PolarHBondContact OH-O 2.81Å; Y491-T494 HydrophobicContact CE1-CG2 4.3Å; Y491-T494 VanDerWaalsContact OH-CA 3.26Å; Y491-T494 WeakPolarHBondContact OH-CA 3.36Å; Y491-T494 WeakPolarHBondContact OH-CG2 3.36Å; Y491-T494 PolarHBondContact OH-N 2.95Å; Y491-D497 PolarHBondContact OH-OD2 3.27Å; Y491-M537 HydrophobicContact CD1-CE 4.07Å; Y491-M537 HydrophobicContact CD2-CE 4.29Å; Y491-M537 HydrophobicContact CD2-SD 3.83Å; Y491-M537 HydrophobicContact CE1-CE 4.12Å; Y491-M537 HydrophobicContact CE2-CE 4.37Å; Y491-M537 HydrophobicContact CE2-SD 3.74Å; Y491-M537 HydrophobicContact CG-CE 4.12Å; Y491-M537 HydrophobicContact CG-SD 4.26Å; Y491-F541 AromaticContact CD2-CD2 3.75Å; Y491-F541 HydrophobicContact CD2-CD2 3.75Å; Y491-F541 AromaticContact CD2-CE2 3.84Å; Y491-F541 HydrophobicContact CD2-CE2 3.84Å; Y491-F541 HydrophobicContact CG-CD2 4.41Å; Y491-P544 HydrophobicContact CD1-CB 4.13Å; Y491-P544 HydrophobicContact CD1-CG 4.38Å |
| 492 | L | 83.2 | Confident | 90.5 | Very high | 150 Ų | 150 | 33.3 Ų | 33.3 | 79% | 0.785 | 19% | 0.186 | S | C | * | . | trans | -83.6 | 4.1 | -172.3 | -63.4 | 177.3 | 0 | 0 | 0 | 114 | T490 | T490-L492 PolarHBondContact O-N 3.48Š| ||
| 493 | G | 85.9 | Confident | 90.5 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | trans | 109.5 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y491 F495 | Y491-G493 VanDerWaalsContact C-N 3.25Å; Y491-G493 VanDerWaalsContact CZ-C 3.48Å; Y491-G493 PolarHBondContact O-N 3.1Å; Y491-G493 PolarHBondContact OH-O 2.81Å; G493-F495 PolarHBondContact O-N 3.22Å | ||
| 494 | T | 89.2 | Confident | 90.7 | Very high | 22 Ų | 22 | 34.6 Ų | 34.6 | 14% | 0.135 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -80 | 10.5 | -173.8 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | T207 Y211 Y491 Y498 | T207-T494 HydrophobicContact CG2-CG2 4.04Å; Y211-T494 HydrophobicContact CG-CG2 4.44Å; Y491-T494 HydrophobicContact CE1-CG2 4.3Å; Y491-T494 VanDerWaalsContact OH-CA 3.26Å; Y491-T494 WeakPolarHBondContact OH-CA 3.36Å; Y491-T494 WeakPolarHBondContact OH-CG2 3.36Å; Y491-T494 PolarHBondContact OH-N 2.95Å; T494-Y498 HydrophobicContact CG2-CE2 4.46Å; T494-Y498 WeakPolarHBondContact O-CD2 3.39Å; T494-Y498 PolarHBondContact O-N 3.38Å |
| 495 | F | 88.6 | Confident | 91 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -52.7 | -172.7 | 173.5 | -97.8 | 0 | 0 | 0 | 112.3 | I401 V404 G493 D497 Y498 L499 W555 | I401-F495 HydrophobicContact CB-CD2 4.29Å; I401-F495 HydrophobicContact CB-CE2 3.98Å; I401-F495 HydrophobicContact CD1-CD2 4.22Å; I401-F495 HydrophobicContact CG1-CD2 3.54Å; I401-F495 HydrophobicContact CG1-CE2 3.74Å; I401-F495 HydrophobicContact CG2-CD2 4.34Å; I401-F495 HydrophobicContact CG2-CE2 3.92Å; V404-F495 HydrophobicContact CB-CE1 4.37Å; V404-F495 HydrophobicContact CB-CZ 3.79Å; V404-F495 HydrophobicContact CG1-CE1 3.72Å; V404-F495 HydrophobicContact CG1-CZ 3.51Å; G493-F495 PolarHBondContact O-N 3.22Å; F495-D497 VanDerWaalsContact C-N 3.3Å; F495-D497 PolarHBondContact O-N 2.99Å; F495-Y498 PolarHBondContact O-N 3.39Å; F495-L499 HydrophobicContact CE1-CD2 4.08Å; F495-L499 HydrophobicContact CZ-CD2 4.36Å; F495-L499 WeakPolarHBondContact O-CB 3.36Å; F495-L499 PolarHBondContact O-N 2.71Å; F495-W555 HydrophobicContact CD2-CH2 4.11Å; F495-W555 AromaticContact CD2-CZ2 3.4Å; F495-W555 HydrophobicContact CD2-CZ2 3.4Å; F495-W555 AromaticContact CE2-CH2 3.79Å; F495-W555 HydrophobicContact CE2-CH2 3.79Å; F495-W555 AromaticContact CE2-CZ2 3.54Å; F495-W555 HydrophobicContact CE2-CZ2 3.54Å; F495-W555 HydrophobicContact CG-CZ2 4.29Å; F495-W555 HydrophobicContact CZ-CH2 4.43Å; F495-W555 HydrophobicContact CZ-CZ2 4.49Å; F495-W555 WeakPolarHBondContact O-CZ2 3.4Å |
| 496 | D | 88.3 | Confident | 91 | Very high | 68 Ų | 68 | 32.2 Ų | 32.2 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.9 | -37.5 | -176.7 | -58.6 | -53.8 | 0 | 0 | 0 | 110.2 | R378 Y498 L499 E500 | R378-D496 IonicContact CZ-OD1 3.61Å; R378-D496 IonicContact NH1-OD1 3.56Å; R378-D496 PolarHBondContact NH1-OD1 2.7Å; R378-D496 IonicContact NH1-OD2 2.7Å; R378-D496 IonicContact NH2-OD2 2.71Å; D496-Y498 PolarHBondContact O-N 3.24Å; D496-L499 WeakPolarHBondContact O-CB 3.37Å; D496-L499 PolarHBondContact O-N 2.94Å; D496-E500 PolarHBondContact O-N 2.89Å |
| 497 | D | 92 | Very high | 91 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 175.3 | -47.7 | -24.3 | 0 | 0 | 0 | 112.7 | Y211 Y491 F495 L501 K536 | Y211-D497 HydrophobicContact CD2-CB 3.96Å; Y211-D497 HydrophobicContact CE1-CB 4.09Å; Y211-D497 HydrophobicContact CE2-CB 3.4Å; Y211-D497 VanDerWaalsContact CE2-CB 3.4Å; Y211-D497 VanDerWaalsContact CZ-CB 3.49Å; Y491-D497 PolarHBondContact OH-OD2 3.27Å; F495-D497 VanDerWaalsContact C-N 3.3Å; F495-D497 PolarHBondContact O-N 2.99Å; D497-L501 PolarHBondContact O-N 3.22Å; D497-K536 IonicContact OD1-NZ 3.37Å; D497-K536 PolarHBondContact OD1-NZ 3.11Å; D497-K536 IonicContact OD2-NZ 3.05Å |
| 498 | Y | 93.9 | Very high | 91.1 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.7 | -32.4 | 175.1 | -80.8 | -62.6 | 0 | 0 | 0 | 112.7 | Y211 F214 T494 F495 D496 E500 L501 F502 I552 W555 | Y211-Y498 VanDerWaalsContact CA-OH 3.26Å; Y211-Y498 WeakPolarHBondContact CA-OH 3.27Å; Y211-Y498 HydrophobicContact CD2-CD1 4.1Å; Y211-Y498 HydrophobicContact CD2-CD2 4.41Å; Y211-Y498 AromaticContact CD2-CE1 3.95Å; Y211-Y498 HydrophobicContact CD2-CE1 3.95Å; Y211-Y498 HydrophobicContact CD2-CE2 4.26Å; Y211-Y498 HydrophobicContact CD2-CG 4.32Å; Y211-Y498 PolarHBondContact N-OH 3.03Å; F214-Y498 HydrophobicContact CB-CE1 4.09Å; F214-Y498 AromaticContact CD1-CD1 3.94Å; F214-Y498 HydrophobicContact CD1-CD1 3.94Å; F214-Y498 AromaticContact CD1-CE1 3.67Å; F214-Y498 HydrophobicContact CD1-CE1 3.67Å; F214-Y498 HydrophobicContact CE1-CD1 4.35Å; F214-Y498 HydrophobicContact CE1-CE1 4.43Å; F214-Y498 HydrophobicContact CG-CE1 4.08Å; T494-Y498 HydrophobicContact CG2-CE2 4.46Å; T494-Y498 WeakPolarHBondContact O-CD2 3.39Å; T494-Y498 PolarHBondContact O-N 3.38Å; F495-Y498 PolarHBondContact O-N 3.39Å; D496-Y498 PolarHBondContact O-N 3.24Å; Y498-E500 VanDerWaalsContact C-N 3.3Å; Y498-E500 PolarHBondContact O-N 3.17Å; Y498-L501 PolarHBondContact O-N 2.89Å; Y498-F502 WeakPolarHBondContact O-CB 3.24Å; Y498-F502 PolarHBondContact O-N 2.89Å; Y498-I552 HydrophobicContact CE1-CB 4.31Å; Y498-I552 HydrophobicContact CE1-CG2 4.05Å; Y498-I552 WeakPolarHBondContact OH-CG2 3.34Å; Y498-W555 HydrophobicContact CD1-CG 4.47Å; Y498-W555 AromaticContact CD2-CD1 3.57Å; Y498-W555 HydrophobicContact CD2-CG 4.35Å; Y498-W555 AromaticContact CD2-NE1 3.52Å; Y498-W555 AromaticContact CG-CD1 3.71Å; Y498-W555 HydrophobicContact CG-CD2 4.24Å; Y498-W555 HydrophobicContact CG-CG 4.05Å; Y498-W555 AromaticContact CG-NE1 3.71Å |
| 499 | L | 91.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 26 Ų | 26 | 9% | 0.089 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.8 | 178.5 | 66.3 | 0 | 0 | 0 | 110.8 | N408 F495 D496 F502 L503 W555 | N408-L499 HydrophobicContact CB-CD1 4.37Å; N408-L499 WeakPolarHBondContact ND2-CD2 3.48Å; F495-L499 HydrophobicContact CE1-CD2 4.08Å; F495-L499 HydrophobicContact CZ-CD2 4.36Å; F495-L499 WeakPolarHBondContact O-CB 3.36Å; F495-L499 PolarHBondContact O-N 2.71Å; D496-L499 WeakPolarHBondContact O-CB 3.37Å; D496-L499 PolarHBondContact O-N 2.94Å; L499-F502 HydrophobicContact CD1-CD1 4.35Å; L499-F502 WeakPolarHBondContact O-CB 3.42Å; L499-F502 PolarHBondContact O-N 3.27Å; L499-L503 HydrophobicContact CD1-CD1 4.5Å; L499-L503 HydrophobicContact CD1-CG 4.32Å; L499-L503 HydrophobicContact CG-CD1 4.32Å; L499-L503 WeakPolarHBondContact O-CG 3.37Å; L499-L503 PolarHBondContact O-N 2.86Å; L499-W555 VanDerWaalsContact CA-CH2 3.5Å; L499-W555 HydrophobicContact CB-CH2 3.76Å; L499-W555 HydrophobicContact CB-CZ2 4.43Å; L499-W555 HydrophobicContact CD1-CH2 4.14Å |
| 500 | E | 90.6 | Very high | 91.3 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 12% | 0.117 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.6 | -51.9 | 174.4 | 173.6 | 156.1 | 152.5 | 0 | 0 | 111.3 | N444 D496 Y498 F502 L503 Q504 N525 | N444-E500 PolarHBondContact ND2-OE2 3.28Å; N444-E500 VanDerWaalsContact ND2-OE2 3.17Å; D496-E500 PolarHBondContact O-N 2.89Å; Y498-E500 VanDerWaalsContact C-N 3.3Å; Y498-E500 PolarHBondContact O-N 3.17Å; E500-F502 VanDerWaalsContact C-N 3.26Å; E500-F502 PolarHBondContact O-N 2.86Å; E500-L503 PolarHBondContact O-N 3.23Å; E500-Q504 WeakPolarHBondContact O-CB 3.16Å; E500-Q504 PolarHBondContact O-N 3.42Å; E500-N525 PolarHBondContact OE1-ND2 3.22Å |
| 501 | L | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.8 | -34.4 | 178.7 | -58.2 | -178.1 | 0 | 0 | 0 | 112.4 | Y211 F214 L215 F218 D497 Y498 F505 F559 | Y211-L501 HydrophobicContact CE2-CD1 3.87Å; F214-L501 HydrophobicContact CD1-CD1 3.77Å; F214-L501 HydrophobicContact CE1-CB 4.4Å; F214-L501 HydrophobicContact CE1-CD1 4.05Å; L215-L501 HydrophobicContact CB-CD1 4.19Å; L215-L501 HydrophobicContact CD1-CD1 4.01Å; L215-L501 HydrophobicContact CD1-CD2 3.59Å; L215-L501 HydrophobicContact CD1-CG 4.41Å; F218-L501 HydrophobicContact CD1-CB 4.46Å; F218-L501 HydrophobicContact CD1-CD2 4.3Å; D497-L501 PolarHBondContact O-N 3.22Å; Y498-L501 PolarHBondContact O-N 2.89Å; L501-F505 WeakPolarHBondContact O-CB 3.44Å; L501-F505 PolarHBondContact O-N 2.76Å; L501-F559 HydrophobicContact CB-CZ 4.2Å |
| 502 | F | 94.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.022 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 175.8 | 173.8 | -100.8 | 0 | 0 | 0 | 112.4 | L405 F409 Y498 L499 E500 F505 G506 W555 A558 F559 M562 | L405-F502 HydrophobicContact CD1-CD1 4.39Å; L405-F502 HydrophobicContact CD1-CE1 4.2Å; L405-F502 HydrophobicContact CD1-CZ 4.27Å; L405-F502 HydrophobicContact CD2-CE1 3.88Å; L405-F502 HydrophobicContact CD2-CZ 3.79Å; L405-F502 HydrophobicContact CG-CD1 4.34Å; L405-F502 HydrophobicContact CG-CE1 3.86Å; L405-F502 HydrophobicContact CG-CZ 4.16Å; F409-F502 HydrophobicContact CD2-CE1 4.32Å; F409-F502 HydrophobicContact CD2-CZ 4.34Å; Y498-F502 WeakPolarHBondContact O-CB 3.24Å; Y498-F502 PolarHBondContact O-N 2.89Å; L499-F502 HydrophobicContact CD1-CD1 4.35Å; L499-F502 WeakPolarHBondContact O-CB 3.42Å; L499-F502 PolarHBondContact O-N 3.27Å; E500-F502 VanDerWaalsContact C-N 3.26Å; E500-F502 PolarHBondContact O-N 2.86Å; F502-F505 PolarHBondContact O-N 3.39Å; F502-G506 PolarHBondContact O-N 2.81Å; F502-W555 HydrophobicContact CB-CE3 4.25Å; F502-W555 HydrophobicContact CB-CZ3 3.8Å; F502-W555 HydrophobicContact CD1-CZ3 4.47Å; F502-W555 HydrophobicContact CG-CZ3 4.04Å; F502-A558 HydrophobicContact CD2-CB 4.08Å; F502-A558 HydrophobicContact CE2-CB 3.79Å; F502-A558 WeakPolarHBondContact CE2-O 3.45Å; F502-A558 HydrophobicContact CZ-CB 4.45Å; F502-F559 HydrophobicContact CB-CE1 4.27Å; F502-F559 HydrophobicContact CB-CE2 4.44Å; F502-F559 HydrophobicContact CB-CZ 3.93Å; F502-F559 HydrophobicContact CD2-CD1 4.35Å; F502-F559 HydrophobicContact CD2-CE1 4.4Å; F502-F559 HydrophobicContact CD2-CG 4.46Å; F502-M562 HydrophobicContact CD1-CE 4.47Å; F502-M562 HydrophobicContact CE1-CE 3.78Å; F502-M562 HydrophobicContact CE2-CB 3.87Å; F502-M562 HydrophobicContact CE2-CE 3.82Å; F502-M562 HydrophobicContact CZ-CB 4.4Å; F502-M562 HydrophobicContact CZ-CE 3.41Å; F502-M562 VanDerWaalsContact CZ-CE 3.41Å |
| 503 | L | 91.4 | Very high | 90.8 | Very high | 28 Ų | 28 | 12.3 Ų | 12.3 | 15% | 0.147 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.4 | -68.2 | 177.9 | 0 | 0 | 0 | 111 | C412 F413 L499 E500 F505 G506 Y507 | C412-L503 HydrophobicContact CB-CD2 4.21Å; F413-L503 HydrophobicContact CE2-CD2 3.78Å; F413-L503 HydrophobicContact CZ-CD2 4.2Å; L499-L503 HydrophobicContact CD1-CD1 4.5Å; L499-L503 HydrophobicContact CD1-CG 4.32Å; L499-L503 HydrophobicContact CG-CD1 4.32Å; L499-L503 WeakPolarHBondContact O-CG 3.37Å; L499-L503 PolarHBondContact O-N 2.86Å; E500-L503 PolarHBondContact O-N 3.23Å; L503-F505 PolarHBondContact O-N 2.82Å; L503-G506 WeakPolarHBondContact O-CA 3.38Å; L503-G506 PolarHBondContact O-N 3.38Å; L503-G506 VanDerWaalsContact O-N 3.1Å; L503-Y507 HydrophobicContact CB-CE2 4.35Å; L503-Y507 WeakPolarHBondContact O-CD2 3.48Å; L503-Y507 PolarHBondContact O-N 2.92Å |
| 504 | Q | 92.5 | Very high | 90.8 | Very high | 5 Ų | 5 | 11.4 Ų | 11.4 | 2% | 0.023 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 175 | -169.1 | -171.7 | 55.6 | 0 | 0 | 111.7 | E500 G506 Y507 V508 A522 N526 | E500-Q504 WeakPolarHBondContact O-CB 3.16Å; E500-Q504 PolarHBondContact O-N 3.42Å; Q504-G506 VanDerWaalsContact C-N 3.29Å; Q504-G506 PolarHBondContact O-N 3.01Å; Q504-Y507 PolarHBondContact O-N 3.45Å; Q504-V508 WeakPolarHBondContact O-CG2 3.36Å; Q504-V508 PolarHBondContact O-N 3.43Å; Q504-V508 VanDerWaalsContact O-N 3.07Å; Q504-A522 HydrophobicContact CG-CB 3.58Å; Q504-A522 PolarHBondContact NE2-O 3.34Å; Q504-N526 VanDerWaalsContact CD-OD1 3.28Å; Q504-N526 PolarHBondContact NE2-OD1 3.45Å; Q504-N526 PolarHBondContact OE1-ND2 3.08Å; Q504-N526 PolarHBondContact OE1-OD1 2.74Å |
| 505 | F | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.4 | -39.4 | 173.5 | -177.6 | -118.5 | 0 | 0 | 0 | 112.3 | F218 I257 L501 F502 L503 V508 S509 F559 M562 | F218-F505 HydrophobicContact CE2-CB 4.15Å; F218-F505 AromaticContact CE2-CD2 3.68Å; F218-F505 HydrophobicContact CE2-CD2 3.68Å; F218-F505 HydrophobicContact CE2-CE2 4.46Å; F218-F505 HydrophobicContact CE2-CG 4.17Å; F218-F505 HydrophobicContact CZ-CB 3.59Å; F218-F505 AromaticContact CZ-CD2 3.78Å; F218-F505 HydrophobicContact CZ-CD2 3.78Å; F218-F505 HydrophobicContact CZ-CG 4.07Å; I257-F505 HydrophobicContact CD1-CE2 4.05Å; L501-F505 WeakPolarHBondContact O-CB 3.44Å; L501-F505 PolarHBondContact O-N 2.76Å; F502-F505 PolarHBondContact O-N 3.39Å; L503-F505 PolarHBondContact O-N 2.82Å; F505-V508 PolarHBondContact O-N 3.33Å; F505-S509 WeakPolarHBondContact O-CB 3.38Å; F505-S509 PolarHBondContact O-N 2.94Å; F505-F559 HydrophobicContact CB-CD1 4Å; F505-F559 HydrophobicContact CB-CE1 3.68Å; F505-F559 AromaticContact CD1-CD1 3.51Å; F505-F559 HydrophobicContact CD1-CD1 3.51Å; F505-F559 HydrophobicContact CD1-CE1 4.11Å; F505-F559 HydrophobicContact CE1-CD1 4.15Å; F505-F559 AromaticContact CG-CD1 3.85Å; F505-F559 HydrophobicContact CG-CD1 3.85Å; F505-F559 HydrophobicContact CG-CE1 4.04Å; F505-M562 HydrophobicContact CD1-CB 4.07Å; F505-M562 HydrophobicContact CD1-CG 3.63Å; F505-M562 HydrophobicContact CE1-CB 4.08Å; F505-M562 HydrophobicContact CE1-CG 3.87Å |
| 506 | G | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F502 L503 Q504 V508 S509 L510 M562 | F502-G506 PolarHBondContact O-N 2.81Å; L503-G506 WeakPolarHBondContact O-CA 3.38Å; L503-G506 PolarHBondContact O-N 3.38Å; L503-G506 VanDerWaalsContact O-N 3.1Å; Q504-G506 VanDerWaalsContact C-N 3.29Å; Q504-G506 PolarHBondContact O-N 3.01Å; G506-V508 VanDerWaalsContact C-N 3.3Å; G506-V508 PolarHBondContact O-N 2.99Å; G506-S509 PolarHBondContact O-N 3.37Å; G506-L510 WeakPolarHBondContact O-CB 3.42Å; G506-L510 VanDerWaalsContact O-CG 3.26Å; G506-L510 WeakPolarHBondContact O-CG 3.23Å; G506-L510 PolarHBondContact O-N 3.08Å; G506-M562 VanDerWaalsContact CA-SD 3.51Å |
| 507 | Y | 90.6 | Very high | 90.7 | Very high | 18 Ų | 18 | 8.7 Ų | 8.7 | 7% | 0.071 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 176.9 | -68.3 | -53.8 | 0 | 0 | 0 | 112.6 | F413 L416 L433 L437 L503 Q504 | F413-Y507 HydrophobicContact CD1-CD1 4.18Å; F413-Y507 HydrophobicContact CD1-CE1 4.02Å; F413-Y507 AromaticContact CE1-CD1 3.44Å; F413-Y507 HydrophobicContact CE1-CD1 3.44Å; F413-Y507 VanDerWaalsContact CE1-CD1 3.44Å; F413-Y507 AromaticContact CE1-CE1 3.52Å; F413-Y507 HydrophobicContact CE1-CE1 3.52Å; F413-Y507 HydrophobicContact CE1-CG 4.02Å; F413-Y507 HydrophobicContact CZ-CD1 4.3Å; F413-Y507 HydrophobicContact CZ-CE1 4.28Å; L416-Y507 HydrophobicContact CD1-CD1 3.93Å; L416-Y507 HydrophobicContact CD1-CE1 3.67Å; L433-Y507 HydrophobicContact CD1-CD1 3.42Å; L433-Y507 VanDerWaalsContact CD1-CD1 3.42Å; L433-Y507 HydrophobicContact CD1-CE1 4.26Å; L433-Y507 HydrophobicContact CD1-CG 4.05Å; L437-Y507 HydrophobicContact CD1-CD2 3.74Å; L437-Y507 HydrophobicContact CD1-CG 4Å; L503-Y507 HydrophobicContact CB-CE2 4.35Å; L503-Y507 WeakPolarHBondContact O-CD2 3.48Å; L503-Y507 PolarHBondContact O-N 2.92Å; Q504-Y507 PolarHBondContact O-N 3.45Å |
| 508 | V | 92.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.024 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -73.1 | -45.1 | 178.6 | 176 | 0 | 0 | 0 | 0 | 111.9 | L222 M225 Q504 F505 G506 S512 A518 A519 A522 | L222-V508 HydrophobicContact CD2-CG1 4.14Å; M225-V508 HydrophobicContact SD-CG1 3.71Å; Q504-V508 WeakPolarHBondContact O-CG2 3.36Å; Q504-V508 PolarHBondContact O-N 3.43Å; Q504-V508 VanDerWaalsContact O-N 3.07Å; F505-V508 PolarHBondContact O-N 3.33Å; G506-V508 VanDerWaalsContact C-N 3.3Å; G506-V508 PolarHBondContact O-N 2.99Å; V508-S512 WeakPolarHBondContact O-CA 3.32Å; V508-S512 WeakPolarHBondContact O-CB 3.39Å; V508-S512 PolarHBondContact O-N 3.42Å; V508-A518 HydrophobicContact CG2-CB 4.23Å; V508-A519 HydrophobicContact CG1-CB 3.83Å; V508-A522 HydrophobicContact CG2-CB 3.74Å |
| 509 | S | 93.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.007 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -82.4 | -43.5 | -170.9 | -168.8 | 0 | 0 | 0 | 0 | 113 | F505 G506 S566 N570 | F505-S509 WeakPolarHBondContact O-CB 3.38Å; F505-S509 PolarHBondContact O-N 2.94Å; G506-S509 PolarHBondContact O-N 3.37Å; S509-S566 WeakPolarHBondContact O-CB 3.25Å; S509-S566 WeakPolarHBondContact OG-CB 3.06Å; S509-S566 PolarHBondContact OG-OG 3.36Å; S509-N570 PolarHBondContact O-ND2 2.96Å |
| 510 | L | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.9 | -44 | -175.6 | -66.8 | 172.2 | 0 | 0 | 0 | 112.2 | F409 F413 F417 G506 M562 I565 T569 | F409-L510 HydrophobicContact CE2-CD1 4.26Å; F413-L510 HydrophobicContact CD1-CD1 3.7Å; F413-L510 HydrophobicContact CD2-CD1 4.31Å; F413-L510 HydrophobicContact CE1-CD1 3.84Å; F413-L510 HydrophobicContact CE2-CD1 4.47Å; F413-L510 HydrophobicContact CG-CD1 3.94Å; F413-L510 HydrophobicContact CZ-CD1 4.26Å; F417-L510 HydrophobicContact CE1-CD1 4.42Å; F417-L510 HydrophobicContact CZ-CD1 3.95Å; F417-L510 HydrophobicContact CZ-CD2 4.32Å; G506-L510 WeakPolarHBondContact O-CB 3.42Å; G506-L510 VanDerWaalsContact O-CG 3.26Å; G506-L510 WeakPolarHBondContact O-CG 3.23Å; G506-L510 PolarHBondContact O-N 3.08Å; L510-M562 HydrophobicContact CD1-SD 3.71Å; L510-M562 HydrophobicContact CD2-SD 3.95Å; L510-M562 HydrophobicContact CG-SD 3.76Å; L510-I565 HydrophobicContact CD2-CB 4.2Å; L510-I565 HydrophobicContact CD2-CG2 3.66Å; L510-T569 HydrophobicContact CB-CG2 4.28Å; L510-T569 WeakPolarHBondContact O-CG2 3.47Å |
| 511 | F | 89.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 22.3 | -171.8 | -55.4 | -74.6 | 0 | 0 | 0 | 112.9 | F413 L416 F417 A420 L429 L433 C513 V514 Y515 T569 L573 | F413-F511 AromaticContact CD1-CE2 3.98Å; F413-F511 HydrophobicContact CD1-CE2 3.98Å; L416-F511 HydrophobicContact CB-CE1 4.15Å; L416-F511 HydrophobicContact CB-CE2 3.87Å; L416-F511 HydrophobicContact CB-CZ 3.49Å; L416-F511 VanDerWaalsContact CB-CZ 3.49Å; L416-F511 HydrophobicContact CD1-CD2 4.24Å; L416-F511 HydrophobicContact CD1-CE2 3.71Å; L416-F511 HydrophobicContact CD1-CZ 4.23Å; L416-F511 HydrophobicContact CG-CE2 4.45Å; F417-F511 HydrophobicContact CD1-CE1 4.19Å; F417-F511 AromaticContact CD1-CZ 3.84Å; F417-F511 HydrophobicContact CD1-CZ 3.84Å; F417-F511 HydrophobicContact CE1-CE1 4.33Å; F417-F511 AromaticContact CE1-CZ 3.82Å; F417-F511 HydrophobicContact CE1-CZ 3.82Å; A420-F511 HydrophobicContact CB-CE1 4.37Å; L429-F511 HydrophobicContact CD1-CD1 4.28Å; L429-F511 HydrophobicContact CD1-CE1 4.27Å; L429-F511 HydrophobicContact CD2-CD1 4.16Å; L433-F511 HydrophobicContact CD1-CD2 4.3Å; L433-F511 HydrophobicContact CD2-CB 3.75Å; L433-F511 HydrophobicContact CD2-CG 4.41Å; F511-C513 VanDerWaalsContact C-N 3.28Å; F511-C513 PolarHBondContact O-N 3.13Å; F511-V514 PolarHBondContact O-N 2.92Å; F511-Y515 PolarHBondContact O-N 3.42Å; F511-T569 HydrophobicContact CE1-CG2 4.28Å; F511-L573 HydrophobicContact CD1-CD1 4.22Å |
| 512 | S | 84.2 | Confident | 90.7 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 4% | 0.035 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -45.6 | -175.5 | 75.6 | 0 | 0 | 0 | 0 | 112 | F246 N250 V508 V514 Y515 P516 N570 | F246-S512 WeakPolarHBondContact CE1-O 3.29Å; N250-S512 VanDerWaalsContact ND2-CB 3.26Å; N250-S512 WeakPolarHBondContact ND2-CB 3.24Å; N250-S512 PolarHBondContact ND2-OG 3.34Å; V508-S512 WeakPolarHBondContact O-CA 3.32Å; V508-S512 WeakPolarHBondContact O-CB 3.39Å; V508-S512 PolarHBondContact O-N 3.42Å; S512-V514 VanDerWaalsContact C-N 3.28Å; S512-V514 PolarHBondContact O-N 2.92Å; S512-Y515 CarbonylContact O-C 3.58Å; S512-Y515 PolarHBondContact O-N 3.5Å; S512-P516 WeakPolarHBondContact O-CD 3.44Å; S512-N570 PolarHBondContact OG-OD1 3.28Å |
| 513 | C | 82.4 | Confident | 90.6 | Very high | 5 Ų | 5 | 10.1 Ų | 10.1 | 3% | 0.034 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -33.8 | -180 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | Y243 A247 F511 N570 | Y243-C513 HydrophobicContact CD1-CB 4.46Å; Y243-C513 WeakPolarHBondContact CE1-O 3.32Å; A247-C513 VanDerWaalsContact CB-SG 3.55Å; F511-C513 VanDerWaalsContact C-N 3.28Å; F511-C513 PolarHBondContact O-N 3.13Å; C513-N570 PolarHBondContact N-OD1 3.41Å; C513-N570 PolarHBondContact SG-OD1 2.98Å |
| 514 | V | 84.6 | Confident | 90.7 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 6% | 0.055 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -39 | -175.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | M426 L429 R430 F511 S512 L573 | M426-V514 HydrophobicContact SD-CG2 3.87Å; L429-V514 HydrophobicContact CB-CG1 4.39Å; L429-V514 HydrophobicContact CD2-CB 4.3Å; L429-V514 HydrophobicContact CD2-CG1 3.89Å; L429-V514 HydrophobicContact CD2-CG2 4.02Å; L429-V514 HydrophobicContact CG-CG1 4.06Å; R430-V514 HydrophobicContact CG-CG1 3.54Å; R430-V514 WeakPolarHBondContact CG-O 2.97Å; R430-V514 PolarHBondContact NE-O 3.03Å; F511-V514 PolarHBondContact O-N 2.92Å; S512-V514 VanDerWaalsContact C-N 3.28Å; S512-V514 PolarHBondContact O-N 2.92Å; V514-L573 HydrophobicContact CG2-CD1 3.89Å; V514-L573 HydrophobicContact CG2-CD2 3.98Å; V514-L573 HydrophobicContact CG2-CG 4.39Å |
| 515 | Y | 87.8 | Confident | 90.6 | Very high | 13 Ų | 13 | 14.2 Ų | 14.2 | 5% | 0.051 | 8% | 0.076 | C | C | . | . | trans | -136 | 77.9 | -177.6 | -167.3 | -125.4 | 0 | 0 | 0 | 112.3 | Y233 R430 L433 A434 F511 S512 L517 A518 F521 | Y233-Y515 HydrophobicContact CE2-CD2 4.36Å; Y233-Y515 HydrophobicContact CE2-CE2 4.07Å; R430-Y515 HydrophobicContact CG-CD2 4.45Å; L433-Y515 VanDerWaalsContact CD2-CB 3.5Å; L433-Y515 HydrophobicContact CD2-CD1 3.72Å; L433-Y515 HydrophobicContact CD2-CG 4Å; L433-Y515 HydrophobicContact CG-CD1 4.06Å; A434-Y515 HydrophobicContact CB-CE1 4.04Å; A434-Y515 HydrophobicContact CB-CE2 4.48Å; A434-Y515 WeakPolarHBondContact CB-OH 3.48Å; F511-Y515 PolarHBondContact O-N 3.42Å; S512-Y515 CarbonylContact O-C 3.58Å; S512-Y515 PolarHBondContact O-N 3.5Å; Y515-L517 HydrophobicContact CD2-CB 4.45Å; Y515-L517 HydrophobicContact CE1-CB 4.41Å; Y515-L517 HydrophobicContact CE2-CB 4.01Å; Y515-L517 PolarHBondContact O-N 3.32Å; Y515-L517 VanDerWaalsContact O-N 3.1Å; Y515-A518 HydrophobicContact CD1-CB 3.8Å; Y515-A518 HydrophobicContact CE1-CB 4.37Å; Y515-A518 VanDerWaalsContact O-CB 3.3Å; Y515-A518 WeakPolarHBondContact O-CB 3.33Å; Y515-A518 PolarHBondContact O-N 3.14Å; Y515-F521 HydrophobicContact CE1-CD2 4.3Å; Y515-F521 HydrophobicContact CE1-CE2 4.44Å; Y515-F521 WeakPolarHBondContact OH-CE2 3.4Å | ||
| 516 | P | 87.3 | Confident | 90.5 | Very high | 11 Ų | 11 | 14.2 Ų | 14.2 | 7% | 0.071 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.8 | -179.1 | -25.7 | 34.9 | 0 | 0 | 0 | 114.3 | G229 F246 S512 A518 | G229-P516 WeakPolarHBondContact O-CB 3.3Å; F246-P516 HydrophobicContact CD1-CG 4.43Å; F246-P516 HydrophobicContact CE1-CB 3.75Å; F246-P516 HydrophobicContact CE1-CG 3.81Å; F246-P516 HydrophobicContact CZ-CB 3.79Å; F246-P516 HydrophobicContact CZ-CG 4.35Å; S512-P516 WeakPolarHBondContact O-CD 3.44Å; P516-A518 PolarHBondContact O-N 3.49Å |
| 517 | L | 90 | Very high | 90.3 | Very high | 23 Ų | 23 | 17.8 Ų | 17.8 | 12% | 0.12 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15 | 179.4 | -165.8 | 64.1 | 0 | 0 | 0 | 113.1 | L230 Y233 Y515 A519 A520 F521 | L230-L517 HydrophobicContact CD1-CD1 3.71Å; Y233-L517 HydrophobicContact CD1-CD2 3.96Å; Y233-L517 HydrophobicContact CD2-CB 4.39Å; Y233-L517 HydrophobicContact CE1-CD2 3.86Å; Y233-L517 HydrophobicContact CG-CB 4.21Å; Y233-L517 HydrophobicContact CG-CD2 4.45Å; Y515-L517 HydrophobicContact CD2-CB 4.45Å; Y515-L517 HydrophobicContact CE1-CB 4.41Å; Y515-L517 HydrophobicContact CE2-CB 4.01Å; Y515-L517 PolarHBondContact O-N 3.32Å; Y515-L517 VanDerWaalsContact O-N 3.1Å; L517-A519 PolarHBondContact O-N 3.03Å; L517-A520 HydrophobicContact CD1-CB 3.88Å; L517-A520 WeakPolarHBondContact O-CB 3.42Å; L517-A520 PolarHBondContact O-N 3.37Å; L517-F521 HydrophobicContact CB-CE2 4.43Å; L517-F521 HydrophobicContact CD2-CD2 4.41Å; L517-F521 HydrophobicContact CD2-CE2 3.48Å; L517-F521 VanDerWaalsContact CD2-CE2 3.48Å; L517-F521 HydrophobicContact CD2-CZ 3.92Å; L517-F521 HydrophobicContact CG-CD2 4.03Å; L517-F521 HydrophobicContact CG-CE2 3.56Å; L517-F521 HydrophobicContact CG-CZ 4.27Å; L517-F521 WeakPolarHBondContact O-CD2 3.22Å; L517-F521 PolarHBondContact O-N 3.01Å |
| 518 | A | 91.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -52.4 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V508 Y515 P516 A520 F521 A522 | V508-A518 HydrophobicContact CG2-CB 4.23Å; Y515-A518 HydrophobicContact CD1-CB 3.8Å; Y515-A518 HydrophobicContact CE1-CB 4.37Å; Y515-A518 VanDerWaalsContact O-CB 3.3Å; Y515-A518 WeakPolarHBondContact O-CB 3.33Å; Y515-A518 PolarHBondContact O-N 3.14Å; P516-A518 PolarHBondContact O-N 3.49Å; A518-A520 VanDerWaalsContact C-N 3.3Å; A518-A520 PolarHBondContact O-N 3.21Å; A518-F521 PolarHBondContact O-N 3.42Å; A518-A522 WeakPolarHBondContact O-CB 3.44Å; A518-A522 PolarHBondContact O-N 3.08Å |
| 519 | A | 92.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 3% | 0.025 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M225 A226 V508 L517 A522 V523 | M225-A519 HydrophobicContact CB-CB 3.71Å; A226-A519 HydrophobicContact CB-CB 4.11Å; V508-A519 HydrophobicContact CG1-CB 3.83Å; L517-A519 PolarHBondContact O-N 3.03Å; A519-A522 PolarHBondContact O-N 3.29Å; A519-V523 VanDerWaalsContact O-CG2 3.32Å; A519-V523 WeakPolarHBondContact O-CG2 3.32Å; A519-V523 PolarHBondContact O-N 3.33Å |
| 520 | A | 93.1 | Very high | 90.1 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 17% | 0.165 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.8 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A226 L517 A518 A522 V523 L524 | A226-A520 HydrophobicContact CB-CB 4.1Å; L517-A520 HydrophobicContact CD1-CB 3.88Å; L517-A520 WeakPolarHBondContact O-CB 3.42Å; L517-A520 PolarHBondContact O-N 3.37Å; A518-A520 VanDerWaalsContact C-N 3.3Å; A518-A520 PolarHBondContact O-N 3.21Å; A520-A522 VanDerWaalsContact C-N 3.33Å; A520-A522 PolarHBondContact O-N 2.86Å; A520-V523 PolarHBondContact O-N 3.24Å; A520-L524 WeakPolarHBondContact O-CG 3.32Å; A520-L524 PolarHBondContact O-N 3.46Å |
| 521 | F | 92.2 | Very high | 90 | Very high | 54 Ų | 54 | 22.5 Ų | 22.5 | 24% | 0.237 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 174.5 | -71.7 | -58.5 | 0 | 0 | 0 | 112.3 | L437 I438 Y515 L517 A518 V523 L524 N525 | L437-F521 HydrophobicContact CD2-CB 3.47Å; L437-F521 VanDerWaalsContact CD2-CB 3.47Å; L437-F521 HydrophobicContact CD2-CD2 4.25Å; L437-F521 HydrophobicContact CD2-CG 4.22Å; I438-F521 HydrophobicContact CD1-CE1 4.29Å; I438-F521 HydrophobicContact CD1-CE2 4.29Å; I438-F521 HydrophobicContact CD1-CZ 4.11Å; I438-F521 HydrophobicContact CG1-CD1 4.48Å; Y515-F521 HydrophobicContact CE1-CD2 4.3Å; Y515-F521 HydrophobicContact CE1-CE2 4.44Å; Y515-F521 WeakPolarHBondContact OH-CE2 3.4Å; L517-F521 HydrophobicContact CB-CE2 4.43Å; L517-F521 HydrophobicContact CD2-CD2 4.41Å; L517-F521 HydrophobicContact CD2-CE2 3.48Å; L517-F521 VanDerWaalsContact CD2-CE2 3.48Å; L517-F521 HydrophobicContact CD2-CZ 3.92Å; L517-F521 HydrophobicContact CG-CD2 4.03Å; L517-F521 HydrophobicContact CG-CE2 3.56Å; L517-F521 HydrophobicContact CG-CZ 4.27Å; L517-F521 WeakPolarHBondContact O-CD2 3.22Å; L517-F521 PolarHBondContact O-N 3.01Å; A518-F521 PolarHBondContact O-N 3.42Å; F521-V523 PolarHBondContact O-N 3.49Å; F521-L524 HydrophobicContact CD1-CD1 4.36Å; F521-L524 PolarHBondContact O-N 3.11Å; F521-N525 WeakPolarHBondContact O-CB 3.48Å; F521-N525 PolarHBondContact O-N 3.3Å |
| 522 | A | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L222 Q504 V508 A518 A519 A520 N525 N526 | L222-A522 HydrophobicContact CD1-CB 3.78Å; Q504-A522 HydrophobicContact CG-CB 3.58Å; Q504-A522 PolarHBondContact NE2-O 3.34Å; V508-A522 HydrophobicContact CG2-CB 3.74Å; A518-A522 WeakPolarHBondContact O-CB 3.44Å; A518-A522 PolarHBondContact O-N 3.08Å; A519-A522 PolarHBondContact O-N 3.29Å; A520-A522 VanDerWaalsContact C-N 3.33Å; A520-A522 PolarHBondContact O-N 2.86Å; A522-N525 PolarHBondContact O-N 3.42Å; A522-N526 WeakPolarHBondContact O-CB 3.44Å; A522-N526 PolarHBondContact O-N 3.06Å; A522-N526 PolarHBondContact O-OD1 2.91Å |
| 523 | V | 93.3 | Very high | 90.5 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 175.3 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | L222 I223 A226 A519 A520 F521 N526 F527 | L222-V523 HydrophobicContact CB-CG2 3.54Å; I223-V523 HydrophobicContact CG1-CG1 4.17Å; I223-V523 HydrophobicContact CG1-CG2 4.26Å; A226-V523 HydrophobicContact CB-CG2 4.24Å; A519-V523 VanDerWaalsContact O-CG2 3.32Å; A519-V523 WeakPolarHBondContact O-CG2 3.32Å; A519-V523 PolarHBondContact O-N 3.33Å; A520-V523 PolarHBondContact O-N 3.24Å; F521-V523 PolarHBondContact O-N 3.49Å; V523-N526 PolarHBondContact O-N 2.86Å; V523-F527 HydrophobicContact CG1-CD2 3.91Å; V523-F527 HydrophobicContact CG1-CE2 3.41Å; V523-F527 VanDerWaalsContact CG1-CE2 3.41Å; V523-F527 HydrophobicContact CG1-CZ 4.21Å; V523-F527 WeakPolarHBondContact O-CD2 3.43Å; V523-F527 PolarHBondContact O-N 3.01Å; V523-F527 VanDerWaalsContact O-N 3.09Å |
| 524 | L | 91.8 | Very high | 90.9 | Very high | 105 Ų | 105 | 22.5 Ų | 22.5 | 55% | 0.55 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.1 | -71 | 172.9 | 0 | 0 | 0 | 111.9 | A520 F521 F527 T528 | A520-L524 WeakPolarHBondContact O-CG 3.32Å; A520-L524 PolarHBondContact O-N 3.46Å; F521-L524 HydrophobicContact CD1-CD1 4.36Å; F521-L524 PolarHBondContact O-N 3.11Å; L524-F527 PolarHBondContact O-N 3.28Å; L524-T528 PolarHBondContact O-N 3.13Å |
| 525 | N | 91.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.4 | -171.7 | 70.7 | 0 | 0 | 0 | 110.9 | Q441 E500 F521 A522 F527 T528 E529 | Q441-N525 WeakPolarHBondContact CB-OD1 3.41Å; Q441-N525 HydrophobicContact CG-CB 4.2Å; E500-N525 PolarHBondContact OE1-ND2 3.22Å; F521-N525 WeakPolarHBondContact O-CB 3.48Å; F521-N525 PolarHBondContact O-N 3.3Å; A522-N525 PolarHBondContact O-N 3.42Å; N525-F527 PolarHBondContact O-N 3.41Å; N525-T528 PolarHBondContact O-N 2.92Å; N525-T528 PolarHBondContact O-OG1 3.36Å; N525-E529 WeakPolarHBondContact O-CB 3.38Å; N525-E529 PolarHBondContact O-N 3.13Å |
| 526 | N | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -28 | -177.2 | -66.1 | -5.7 | 0 | 0 | 0 | 112.7 | L215 T219 Q504 A522 V523 T528 E529 V530 | L215-N526 HydrophobicContact CD1-CB 4.3Å; T219-N526 HydrophobicContact CG2-CB 3.92Å; T219-N526 VanDerWaalsContact OG1-CB 3.23Å; T219-N526 WeakPolarHBondContact OG1-CB 3.33Å; Q504-N526 VanDerWaalsContact CD-OD1 3.28Å; Q504-N526 PolarHBondContact NE2-OD1 3.45Å; Q504-N526 PolarHBondContact OE1-ND2 3.08Å; Q504-N526 PolarHBondContact OE1-OD1 2.74Å; A522-N526 WeakPolarHBondContact O-CB 3.44Å; A522-N526 PolarHBondContact O-N 3.06Å; A522-N526 PolarHBondContact O-OD1 2.91Å; V523-N526 PolarHBondContact O-N 2.86Å; N526-T528 VanDerWaalsContact C-N 3.35Å; N526-E529 PolarHBondContact O-N 3.3Å; N526-V530 VanDerWaalsContact O-CG2 3.29Å; N526-V530 WeakPolarHBondContact O-CG2 3.5Å; N526-V530 PolarHBondContact O-N 3.5Å |
| 527 | F | 90.7 | Very high | 91.8 | Very high | 75 Ų | 75 | 22.9 Ų | 22.9 | 33% | 0.329 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.7 | -36.7 | 171.3 | -78.7 | -53.9 | 0 | 0 | 0 | 113.4 | L192 T219 V523 L524 N525 N531 | L192-F527 HydrophobicContact CD1-CE1 3.37Å; L192-F527 HydrophobicContact CD1-CZ 3.4Å; L192-F527 VanDerWaalsContact CD1-CZ 3.4Å; T219-F527 HydrophobicContact CG2-CD1 4.46Å; T219-F527 HydrophobicContact CG2-CE1 4.18Å; T219-F527 HydrophobicContact CG2-CZ 4.32Å; V523-F527 HydrophobicContact CG1-CD2 3.91Å; V523-F527 HydrophobicContact CG1-CE2 3.41Å; V523-F527 VanDerWaalsContact CG1-CE2 3.41Å; V523-F527 HydrophobicContact CG1-CZ 4.21Å; V523-F527 WeakPolarHBondContact O-CD2 3.43Å; V523-F527 PolarHBondContact O-N 3.01Å; V523-F527 VanDerWaalsContact O-N 3.09Å; L524-F527 PolarHBondContact O-N 3.28Å; N525-F527 PolarHBondContact O-N 3.41Å; F527-N531 PolarHBondContact O-ND2 2.92Å |
| 528 | T | 89.3 | Confident | 92 | Very high | 72 Ų | 72 | 22.1 Ų | 22.1 | 44% | 0.442 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -76 | -38 | 172.6 | 55 | 0 | 0 | 0 | 0 | 110.9 | Q445 L524 N525 N526 V530 N531 S532 | Q445-T528 PolarHBondContact OE1-OG1 2.82Å; L524-T528 PolarHBondContact O-N 3.13Å; N525-T528 PolarHBondContact O-N 2.92Å; N525-T528 PolarHBondContact O-OG1 3.36Å; N526-T528 VanDerWaalsContact C-N 3.35Å; T528-V530 PolarHBondContact O-N 3.24Å; T528-N531 PolarHBondContact O-N 3.05Å; T528-N531 VanDerWaalsContact O-N 3.1Å; T528-S532 WeakPolarHBondContact O-CB 3.5Å; T528-S532 PolarHBondContact O-N 3Å |
| 529 | E | 91.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | -175.9 | -155.7 | 52.6 | -118.5 | 0 | 0 | 112.3 | Q445 N525 N526 N531 S532 D533 | Q445-E529 PolarHBondContact NE2-OE1 2.96Å; Q445-E529 PolarHBondContact NE2-OE2 3.1Å; Q445-E529 PolarHBondContact OE1-OE2 3.45Å; N525-E529 WeakPolarHBondContact O-CB 3.38Å; N525-E529 PolarHBondContact O-N 3.13Å; N526-E529 PolarHBondContact O-N 3.3Å; E529-N531 PolarHBondContact O-N 3.03Å; E529-N531 VanDerWaalsContact O-N 3.17Å; E529-S532 PolarHBondContact O-N 2.85Å; E529-S532 VanDerWaalsContact O-N 3.08Å; E529-D533 WeakPolarHBondContact O-CB 3.28Å; E529-D533 PolarHBondContact O-N 3.47Å |
| 530 | V | 91.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.055 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -52.4 | -43.1 | 174.8 | 167.3 | 0 | 0 | 0 | 0 | 112.1 | Q195 L215 N526 T528 A534 | Q195-V530 HydrophobicContact CG-CG1 4.15Å; Q195-V530 VanDerWaalsContact NE2-CG2 3.31Å; L215-V530 HydrophobicContact CD2-CB 4.33Å; L215-V530 HydrophobicContact CD2-CG2 3.6Å; L215-V530 HydrophobicContact CG-CG2 3.75Å; N526-V530 VanDerWaalsContact O-CG2 3.29Å; N526-V530 WeakPolarHBondContact O-CG2 3.5Å; N526-V530 PolarHBondContact O-N 3.5Å; T528-V530 PolarHBondContact O-N 3.24Å; V530-A534 VanDerWaalsContact O-CB 3.27Å; V530-A534 WeakPolarHBondContact O-CB 3.16Å; V530-A534 PolarHBondContact O-N 3.27Å |
| 531 | N | 90.1 | Very high | 91.9 | Very high | 40 Ų | 40 | 28.3 Ų | 28.3 | 21% | 0.214 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -78.4 | -36.9 | 179.8 | -72 | -46.7 | 0 | 0 | 0 | 112.1 | Y187 T188 F527 T528 E529 A534 L535 | Y187-N531 WeakPolarHBondContact CA-OD1 3.47Å; T188-N531 PolarHBondContact N-OD1 3.29Å; T188-N531 PolarHBondContact O-ND2 2.92Å; T188-N531 VanDerWaalsContact O-ND2 3.14Å; T188-N531 PolarHBondContact OG1-ND2 3.48Å; T188-N531 PolarHBondContact OG1-OD1 3.22Å; F527-N531 PolarHBondContact O-ND2 2.92Å; T528-N531 PolarHBondContact O-N 3.05Å; T528-N531 VanDerWaalsContact O-N 3.1Å; E529-N531 PolarHBondContact O-N 3.03Å; E529-N531 VanDerWaalsContact O-N 3.17Å; N531-A534 PolarHBondContact O-N 3.09Å; N531-L535 WeakPolarHBondContact O-CB 3.43Å; N531-L535 PolarHBondContact O-N 3.37Å |
| 532 | S | 91.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.5 | -47 | -178.4 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | Q445 S449 T528 E529 L535 K536 | Q445-S532 VanDerWaalsContact CD-CB 3.45Å; Q445-S532 PolarHBondContact NE2-OG 3.14Å; S449-S532 WeakPolarHBondContact CB-OG 3.28Å; S449-S532 PolarHBondContact OG-OG 3.47Å; T528-S532 WeakPolarHBondContact O-CB 3.5Å; T528-S532 PolarHBondContact O-N 3Å; E529-S532 PolarHBondContact O-N 2.85Å; E529-S532 VanDerWaalsContact O-N 3.08Å; S532-L535 WeakPolarHBondContact O-CB 3.42Å; S532-L535 PolarHBondContact O-N 3.35Å; S532-K536 WeakPolarHBondContact O-CB 3.45Å; S532-K536 PolarHBondContact O-N 3.3Å |
| 533 | D | 92.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 174.1 | -79.4 | -27.1 | 0 | 0 | 0 | 112.3 | Y211 F212 E529 L535 K536 M537 | Y211-D533 HydrophobicContact CE1-CB 4.35Å; Y211-D533 VanDerWaalsContact CE1-OD2 3.3Å; Y211-D533 WeakPolarHBondContact CE1-OD2 3.26Å; Y211-D533 VanDerWaalsContact CZ-OD2 3.26Å; Y211-D533 PolarHBondContact OH-OD2 3.4Å; F212-D533 HydrophobicContact CE1-CB 3.63Å; F212-D533 HydrophobicContact CZ-CB 3.64Å; E529-D533 WeakPolarHBondContact O-CB 3.28Å; E529-D533 PolarHBondContact O-N 3.47Å; D533-L535 VanDerWaalsContact C-N 3.26Å; D533-L535 PolarHBondContact O-N 3.03Å; D533-K536 WeakPolarHBondContact O-CB 3.48Å; D533-K536 PolarHBondContact O-N 3.44Å; D533-K536 VanDerWaalsContact OD1-CE 3.3Å; D533-K536 WeakPolarHBondContact OD1-CE 3.31Å; D533-K536 IonicContact OD1-NZ 3.19Å; D533-K536 PolarHBondContact OD1-NZ 3.28Å; D533-M537 VanDerWaalsContact O-CG 3.3Å; D533-M537 WeakPolarHBondContact O-CG 3.31Å; D533-M537 PolarHBondContact O-N 3.37Å |
| 534 | A | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | W186 Y187 F212 V530 N531 M537 C538 | W186-A534 HydrophobicContact CD2-CB 3.83Å; W186-A534 HydrophobicContact CE3-CB 4.15Å; W186-A534 HydrophobicContact CG-CB 4.27Å; W186-A534 HydrophobicContact CH2-CB 4.37Å; W186-A534 HydrophobicContact CZ2-CB 4.03Å; W186-A534 HydrophobicContact CZ3-CB 4.39Å; Y187-A534 HydrophobicContact CD1-CB 4.16Å; Y187-A534 HydrophobicContact CE1-CB 3.76Å; F212-A534 HydrophobicContact CE1-CB 4.46Å; V530-A534 VanDerWaalsContact O-CB 3.27Å; V530-A534 WeakPolarHBondContact O-CB 3.16Å; V530-A534 PolarHBondContact O-N 3.27Å; N531-A534 PolarHBondContact O-N 3.09Å; A534-M537 PolarHBondContact O-N 3.44Å; A534-C538 WeakPolarHBondContact O-CB 3.49Å; A534-C538 PolarHBondContact O-N 3.22Å; A534-C538 PolarHBondContact O-SG 3.27Å |
| 535 | L | 92.2 | Very high | 92.5 | Very high | 35 Ų | 35 | 23.3 Ų | 23.3 | 18% | 0.183 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.9 | -179.1 | 69.9 | 0 | 0 | 0 | 111.7 | Y187 Y453 N531 S532 D533 M537 C538 R539 | Y187-L535 HydrophobicContact CE1-CB 4.29Å; Y187-L535 WeakPolarHBondContact OH-CA 3.22Å; Y453-L535 HydrophobicContact CD1-CD2 4.39Å; Y453-L535 HydrophobicContact CD2-CD1 3.88Å; Y453-L535 HydrophobicContact CD2-CD2 4.08Å; Y453-L535 HydrophobicContact CD2-CG 4.07Å; Y453-L535 HydrophobicContact CE2-CD1 3.84Å; Y453-L535 HydrophobicContact CG-CD2 3.97Å; Y453-L535 HydrophobicContact CG-CG 4.43Å; N531-L535 WeakPolarHBondContact O-CB 3.43Å; N531-L535 PolarHBondContact O-N 3.37Å; S532-L535 WeakPolarHBondContact O-CB 3.42Å; S532-L535 PolarHBondContact O-N 3.35Å; D533-L535 VanDerWaalsContact C-N 3.26Å; D533-L535 PolarHBondContact O-N 3.03Å; L535-M537 VanDerWaalsContact C-N 3.32Å; L535-M537 PolarHBondContact O-N 3.04Å; L535-C538 PolarHBondContact O-N 3.19Å; L535-R539 HydrophobicContact CD1-CB 4.17Å; L535-R539 HydrophobicContact CD1-CG 4.09Å; L535-R539 PolarHBondContact O-N 3.31Å |
| 536 | K | 92.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -54.9 | -47.7 | 175.9 | -171.8 | 176.1 | 78.9 | -166.5 | 0 | 110.9 | E448 D497 S532 D533 V540 F541 | E448-K536 HydrophobicContact CG-CD 3.77Å; E448-K536 IonicContact OE1-NZ 2.73Å; E448-K536 PolarHBondContact OE1-NZ 3.14Å; D497-K536 IonicContact OD1-NZ 3.37Å; D497-K536 PolarHBondContact OD1-NZ 3.11Å; D497-K536 IonicContact OD2-NZ 3.05Å; S532-K536 WeakPolarHBondContact O-CB 3.45Å; S532-K536 PolarHBondContact O-N 3.3Å; D533-K536 WeakPolarHBondContact O-CB 3.48Å; D533-K536 PolarHBondContact O-N 3.44Å; D533-K536 VanDerWaalsContact OD1-CE 3.3Å; D533-K536 WeakPolarHBondContact OD1-CE 3.31Å; D533-K536 IonicContact OD1-NZ 3.19Å; D533-K536 PolarHBondContact OD1-NZ 3.28Å; K536-V540 WeakPolarHBondContact O-CB 3.46Å; K536-V540 PolarHBondContact O-N 2.89Å; K536-F541 HydrophobicContact CD-CD2 4.47Å; K536-F541 HydrophobicContact CD-CE2 3.75Å; K536-F541 HydrophobicContact CG-CD2 3.67Å; K536-F541 HydrophobicContact CG-CE2 3.34Å; K536-F541 HydrophobicContact CG-CZ 4.38Å; K536-F541 PolarHBondContact O-N 3.45Å |
| 537 | M | 93.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -73.3 | -28.7 | 179.9 | -61.9 | -49.8 | -70.4 | 0 | 0 | 114.3 | F204 I208 F212 Y491 D533 A534 L535 P544 | F204-M537 HydrophobicContact CD1-CE 4.39Å; F204-M537 HydrophobicContact CE1-CB 4.31Å; F204-M537 HydrophobicContact CZ-CB 4.12Å; F204-M537 WeakPolarHBondContact CZ-O 3.45Å; I208-M537 HydrophobicContact CD1-CE 3.7Å; I208-M537 HydrophobicContact CG1-CE 4.19Å; I208-M537 HydrophobicContact CG2-CE 4.23Å; F212-M537 HydrophobicContact CE2-CG 4.1Å; F212-M537 HydrophobicContact CZ-CG 4.17Å; Y491-M537 HydrophobicContact CD1-CE 4.07Å; Y491-M537 HydrophobicContact CD2-CE 4.29Å; Y491-M537 HydrophobicContact CD2-SD 3.83Å; Y491-M537 HydrophobicContact CE1-CE 4.12Å; Y491-M537 HydrophobicContact CE2-CE 4.37Å; Y491-M537 HydrophobicContact CE2-SD 3.74Å; Y491-M537 HydrophobicContact CG-CE 4.12Å; Y491-M537 HydrophobicContact CG-SD 4.26Å; D533-M537 VanDerWaalsContact O-CG 3.3Å; D533-M537 WeakPolarHBondContact O-CG 3.31Å; D533-M537 PolarHBondContact O-N 3.37Å; A534-M537 PolarHBondContact O-N 3.44Å; L535-M537 VanDerWaalsContact C-N 3.32Å; L535-M537 PolarHBondContact O-N 3.04Å; M537-P544 HydrophobicContact CE-CG 3.76Å |
| 538 | C | 92.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -90.9 | -33.1 | -176.4 | -63.5 | 0 | 0 | 0 | 0 | 113.8 | L179 E183 A534 L535 | L179-C538 HydrophobicContact CD1-CB 4.06Å; L179-C538 HydrophobicContact CD2-CB 4.49Å; L179-C538 WeakPolarHBondContact CD2-O 3.41Å; L179-C538 HydrophobicContact CG-CB 4.45Å; E183-C538 HydrophobicContact CG-CB 4.06Å; E183-C538 VanDerWaalsContact OE1-CB 3.24Å; E183-C538 WeakPolarHBondContact OE1-CB 3.45Å; A534-C538 WeakPolarHBondContact O-CB 3.49Å; A534-C538 PolarHBondContact O-N 3.22Å; A534-C538 PolarHBondContact O-SG 3.27Å; L535-C538 PolarHBondContact O-N 3.19Å |
| 539 | R | 90.7 | Very high | 92.2 | Very high | 101 Ų | 101 | 24.5 Ų | 24.5 | 38% | 0.381 | 12% | 0.123 | S | C | . | . | I | π-helix | trans | -129.3 | -11.4 | -167.2 | -61.6 | -63 | -178.7 | 178.6 | -2.1 | 115.4 | E183 Y453 Q456 L535 | E183-R539 IonicContact OE1-CZ 3.01Å; E183-R539 VanDerWaalsContact OE1-CZ 3.29Å; E183-R539 IonicContact OE1-NE 2.76Å; E183-R539 PolarHBondContact OE1-NE 2.88Å; E183-R539 IonicContact OE1-NH2 2.7Å; E183-R539 PolarHBondContact OE1-NH2 2.92Å; E183-R539 IonicContact OE2-CZ 2.74Å; E183-R539 IonicContact OE2-NE 3.24Å; E183-R539 IonicContact OE2-NH2 3.17Å; E183-R539 PolarHBondContact OE2-NH2 3.35Å; Y453-R539 HydrophobicContact CD2-CB 3.99Å; Y453-R539 HydrophobicContact CE2-CB 4Å; Y453-R539 HydrophobicContact CE2-CG 4.44Å; Q456-R539 WeakPolarHBondContact CG-O 3.23Å; L535-R539 HydrophobicContact CD1-CB 4.17Å; L535-R539 HydrophobicContact CD1-CG 4.09Å; L535-R539 PolarHBondContact O-N 3.31Å |
| 540 | V | 91.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -102.6 | -53.5 | -177.4 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | P452 K536 | P452-V540 HydrophobicContact CB-CG1 3.48Å; P452-V540 VanDerWaalsContact CB-CG1 3.48Å; P452-V540 HydrophobicContact CB-CG2 4.43Å; K536-V540 WeakPolarHBondContact O-CB 3.46Å; K536-V540 PolarHBondContact O-N 2.89Å |
| 541 | F | 94.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 28.1 Ų | 28.1 | 20% | 0.202 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -94.6 | 158.1 | -175.9 | -65.5 | -54.8 | 0 | 0 | 0 | 113.1 | G489 Y491 K536 | G489-F541 WeakPolarHBondContact O-CA 3.19Å; Y491-F541 AromaticContact CD2-CD2 3.75Å; Y491-F541 HydrophobicContact CD2-CD2 3.75Å; Y491-F541 AromaticContact CD2-CE2 3.84Å; Y491-F541 HydrophobicContact CD2-CE2 3.84Å; Y491-F541 HydrophobicContact CG-CD2 4.41Å; K536-F541 HydrophobicContact CD-CD2 4.47Å; K536-F541 HydrophobicContact CD-CE2 3.75Å; K536-F541 HydrophobicContact CG-CD2 3.67Å; K536-F541 HydrophobicContact CG-CE2 3.34Å; K536-F541 HydrophobicContact CG-CZ 4.38Å; K536-F541 PolarHBondContact O-N 3.45Å |
| 542 | K | 94.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.022 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 158.2 | 161.8 | -60.8 | -177.9 | -158 | -154.6 | 0 | 110.1 | F171 E485 K486 M488 G489 P544 | F171-K542 HydrophobicContact CB-CD 4.24Å; F171-K542 HydrophobicContact CD2-CD 4.25Å; F171-K542 HydrophobicContact CG-CD 4.12Å; E485-K542 WeakPolarHBondContact O-CD 3.49Å; E485-K542 WeakPolarHBondContact O-CE 3.26Å; E485-K542 VanDerWaalsContact O-CG 3.23Å; E485-K542 WeakPolarHBondContact O-CG 3.34Å; E485-K542 PolarHBondContact O-NZ 3.02Å; K486-K542 PolarHBondContact O-NZ 3.09Å; M488-K542 HydrophobicContact CB-CD 4.49Å; M488-K542 HydrophobicContact CB-CG 3.49Å; M488-K542 VanDerWaalsContact CB-CG 3.49Å; M488-K542 WeakPolarHBondContact O-CE 3.16Å; G489-K542 PolarHBondContact O-N 3.17Å; K542-P544 VanDerWaalsContact O-CD 3.23Å; K542-P544 WeakPolarHBondContact O-CD 3.44Å; K542-P544 VanDerWaalsContact O-N 3.15Å |
| 543 | R | 96.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 2% | 0.023 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 121.2 | 170.8 | -170.2 | 175.9 | -174.5 | 174.5 | -1.9 | 109.1 | M121 Q125 P172 L173 H174 Y203 | M121-R543 PolarHBondContact SD-NH1 3.09Å; Q125-R543 VanDerWaalsContact OE1-NE 3.12Å; Q125-R543 VanDerWaalsContact OE1-NH1 3.07Å; P172-R543 VanDerWaalsContact CD-O 3.24Å; P172-R543 WeakPolarHBondContact CD-O 3.24Å; P172-R543 HydrophobicContact CG-CB 4.05Å; P172-R543 HydrophobicContact CG-CG 4.08Å; P172-R543 WeakPolarHBondContact CG-O 3.44Å; L173-R543 VanDerWaalsContact O-CD 3.23Å; L173-R543 WeakPolarHBondContact O-CD 3.1Å; L173-R543 PolarHBondContact O-NH1 3.43Å; H174-R543 WeakPolarHBondContact NE2-CA 3.13Å; H174-R543 PolarHBondContact NE2-N 3.47Å; Y203-R543 PolarHBondContact O-NE 3.32Å; Y203-R543 PolarHBondContact O-NH2 2.99Å |
| 544 | P | 95.6 | Very high | 91.7 | Very high | 19 Ų | 19 | 30 Ų | 30 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 151.2 | 170.2 | 29.2 | -33.5 | 0 | 0 | 0 | 110.1 | F204 I208 Y491 M537 K542 | F204-P544 HydrophobicContact CD1-CG 4.17Å; I208-P544 HydrophobicContact CD1-CB 4.01Å; I208-P544 HydrophobicContact CD1-CG 3.17Å; Y491-P544 HydrophobicContact CD1-CB 4.13Å; Y491-P544 HydrophobicContact CD1-CG 4.38Å; M537-P544 HydrophobicContact CE-CG 3.76Å; K542-P544 VanDerWaalsContact O-CD 3.23Å; K542-P544 WeakPolarHBondContact O-CD 3.44Å; K542-P544 VanDerWaalsContact O-N 3.15Å |
| 545 | F | 94.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 30.3 Ų | 30.3 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -66 | 138.7 | 169.3 | -78.2 | -70.4 | 0 | 0 | 0 | 110.6 | V19 K129 V170 P172 E547 | V19-F545 HydrophobicContact CG1-CZ 4.18Å; V19-F545 HydrophobicContact CG2-CE1 4.08Å; K129-F545 HydrophobicContact CB-CD1 3.87Å; K129-F545 HydrophobicContact CB-CE1 3.77Å; K129-F545 HydrophobicContact CB-CG 4.48Å; K129-F545 HydrophobicContact CB-CZ 4.3Å; K129-F545 HydrophobicContact CD-CB 3.8Å; K129-F545 HydrophobicContact CD-CD1 3.83Å; K129-F545 HydrophobicContact CD-CD2 3.95Å; K129-F545 HydrophobicContact CD-CE1 4.37Å; K129-F545 HydrophobicContact CD-CE2 4.46Å; K129-F545 HydrophobicContact CD-CG 3.6Å; K129-F545 HydrophobicContact CG-CD1 4.07Å; K129-F545 HydrophobicContact CG-CD2 4.34Å; K129-F545 HydrophobicContact CG-CE1 4.11Å; K129-F545 HydrophobicContact CG-CE2 4.36Å; K129-F545 HydrophobicContact CG-CG 4.19Å; K129-F545 HydrophobicContact CG-CZ 4.26Å; V170-F545 HydrophobicContact CG1-CZ 4.13Å; V170-F545 WeakPolarHBondContact O-CE2 3.32Å; P172-F545 HydrophobicContact CB-CD1 4.12Å; P172-F545 HydrophobicContact CB-CE1 3.87Å; P172-F545 HydrophobicContact CB-CZ 4.44Å; P172-F545 HydrophobicContact CG-CD1 3.81Å; P172-F545 HydrophobicContact CG-CD2 4.46Å; P172-F545 HydrophobicContact CG-CE1 3.89Å; P172-F545 HydrophobicContact CG-CG 4.1Å; P172-F545 HydrophobicContact CG-CZ 4.26Å; F545-E547 PolarHBondContact O-N 3.01Å |
| 546 | S | 91.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 135.1 | 172.4 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | F126 G205 | F126-S546 WeakPolarHBondContact CD2-O 3.49Å; G205-S546 WeakPolarHBondContact CA-OG 3.48Å |
| 547 | E | 88.1 | Confident | 91.8 | Very high | 102 Ų | 102 | 34.8 Ų | 34.8 | 48% | 0.477 | 20% | 0.195 | S | C | . | . | trans | -126.7 | 120.6 | 174.4 | -65.2 | -167.6 | 163.5 | 0 | 0 | 109.4 | K129 T207 F545 S549 | K129-E547 IonicContact NZ-OE1 3.95Å; K129-E547 PolarHBondContact NZ-OE1 3.01Å; T207-E547 PolarHBondContact N-O 2.92Å; T207-E547 PolarHBondContact OG1-O 3.37Å; F545-E547 PolarHBondContact O-N 3.01Å; E547-S549 PolarHBondContact O-N 2.91Å | ||
| 548 | P | 89.5 | Confident | 91.8 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | trans | -67.4 | 116.6 | 177.3 | -22.5 | 33.5 | 0 | 0 | 0 | 111.3 | F126 T274 M277 | F126-P548 HydrophobicContact CD1-CG 4.41Å; F126-P548 HydrophobicContact CE1-CG 3.64Å; F126-P548 HydrophobicContact CE2-CG 4.41Å; F126-P548 VanDerWaalsContact CZ-CD 3.46Å; F126-P548 HydrophobicContact CZ-CG 3.65Å; T274-P548 HydrophobicContact CG2-CB 3.98Å; M277-P548 HydrophobicContact CE-CB 4.16Å; M277-P548 HydrophobicContact CE-CG 4.11Å; M277-P548 HydrophobicContact SD-CB 3.94Å; M277-P548 HydrophobicContact SD-CG 4.36Å | ||
| 549 | S | 88.6 | Confident | 91.9 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | trans | -122 | 142.3 | 177.3 | -75.6 | 0 | 0 | 0 | 0 | 111.5 | T207 T274 E547 | T207-S549 WeakPolarHBondContact OG1-CB 3.17Å; T207-S549 PolarHBondContact OG1-OG 3.39Å; T274-S549 WeakPolarHBondContact CB-O 3.5Å; T274-S549 PolarHBondContact OG1-O 3.48Å; E547-S549 PolarHBondContact O-N 2.91Å | ||
| 550 | A | 89.4 | Confident | 92.1 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -109.4 | -5.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 551 | S | 90.6 | Very high | 92.3 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -165.3 | 166.5 | -179 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | G553 | S551-G553 PolarHBondContact O-N 2.79Å; S551-G553 PolarHBondContact OG-N 2.79Å |
| 552 | I | 90.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | trans | -69.5 | -4 | 169.9 | 65.5 | 171.6 | 0 | 0 | 0 | 113.6 | F214 W261 Y498 W555 Q556 | F214-I552 HydrophobicContact CE2-CD1 4.3Å; W261-I552 HydrophobicContact CZ2-CG2 3.57Å; Y498-I552 HydrophobicContact CE1-CB 4.31Å; Y498-I552 HydrophobicContact CE1-CG2 4.05Å; Y498-I552 WeakPolarHBondContact OH-CG2 3.34Å; I552-W555 HydrophobicContact CB-CB 4.36Å; I552-W555 HydrophobicContact CD1-CB 3.97Å; I552-W555 HydrophobicContact CG1-CB 4.16Å; I552-Q556 HydrophobicContact CD1-CB 4.19Å; I552-Q556 HydrophobicContact CG1-CB 4.1Å | ||
| 553 | G | 87.8 | Confident | 92.3 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -135.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S551 W555 Q556 | S551-G553 PolarHBondContact O-N 2.79Å; S551-G553 PolarHBondContact OG-N 2.79Å; G553-W555 PolarHBondContact O-N 3.01Å; G553-Q556 PolarHBondContact O-N 3.45Å |
| 554 | V | 88.9 | Confident | 92.3 | Very high | 37 Ų | 37 | 35 Ų | 35 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -22.6 | -177.1 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | N398 I401 Q556 L557 A558 | N398-V554 HydrophobicContact CB-CG2 3.8Å; N398-V554 WeakPolarHBondContact OD1-CG2 3.38Å; I401-V554 HydrophobicContact CG2-CG1 4.3Å; V554-Q556 PolarHBondContact O-N 2.87Å; V554-L557 WeakPolarHBondContact O-CB 3.3Å; V554-L557 PolarHBondContact O-N 3.1Å; V554-L557 VanDerWaalsContact O-N 3.1Å; V554-A558 PolarHBondContact O-N 3.27Å; V554-A558 VanDerWaalsContact O-N 3.11Å |
| 555 | W | 92.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.1 | -34.8 | 176.8 | -69.1 | 115.3 | 0 | 0 | 0 | 113 | I401 L405 F495 Y498 L499 F502 I552 G553 L557 A558 F559 | I401-W555 HydrophobicContact CG2-CZ2 4.38Å; L405-W555 HydrophobicContact CD1-CE3 4.01Å; L405-W555 HydrophobicContact CD1-CH2 4.16Å; L405-W555 HydrophobicContact CD1-CZ3 3.5Å; L405-W555 VanDerWaalsContact CD1-CZ3 3.5Å; F495-W555 HydrophobicContact CD2-CH2 4.11Å; F495-W555 AromaticContact CD2-CZ2 3.4Å; F495-W555 HydrophobicContact CD2-CZ2 3.4Å; F495-W555 AromaticContact CE2-CH2 3.79Å; F495-W555 HydrophobicContact CE2-CH2 3.79Å; F495-W555 AromaticContact CE2-CZ2 3.54Å; F495-W555 HydrophobicContact CE2-CZ2 3.54Å; F495-W555 HydrophobicContact CG-CZ2 4.29Å; F495-W555 HydrophobicContact CZ-CH2 4.43Å; F495-W555 HydrophobicContact CZ-CZ2 4.49Å; F495-W555 WeakPolarHBondContact O-CZ2 3.4Å; Y498-W555 HydrophobicContact CD1-CG 4.47Å; Y498-W555 AromaticContact CD2-CD1 3.57Å; Y498-W555 HydrophobicContact CD2-CG 4.35Å; Y498-W555 AromaticContact CD2-NE1 3.52Å; Y498-W555 AromaticContact CG-CD1 3.71Å; Y498-W555 HydrophobicContact CG-CD2 4.24Å; Y498-W555 HydrophobicContact CG-CG 4.05Å; Y498-W555 AromaticContact CG-NE1 3.71Å; L499-W555 VanDerWaalsContact CA-CH2 3.5Å; L499-W555 HydrophobicContact CB-CH2 3.76Å; L499-W555 HydrophobicContact CB-CZ2 4.43Å; L499-W555 HydrophobicContact CD1-CH2 4.14Å; F502-W555 HydrophobicContact CB-CE3 4.25Å; F502-W555 HydrophobicContact CB-CZ3 3.8Å; F502-W555 HydrophobicContact CD1-CZ3 4.47Å; F502-W555 HydrophobicContact CG-CZ3 4.04Å; I552-W555 HydrophobicContact CB-CB 4.36Å; I552-W555 HydrophobicContact CD1-CB 3.97Å; I552-W555 HydrophobicContact CG1-CB 4.16Å; G553-W555 PolarHBondContact O-N 3.01Å; W555-L557 VanDerWaalsContact C-N 3.33Å; W555-L557 PolarHBondContact O-N 3.04Å; W555-A558 HydrophobicContact CE3-CB 4.29Å; W555-A558 WeakPolarHBondContact O-CB 3.37Å; W555-A558 PolarHBondContact O-N 2.79Å; W555-A558 VanDerWaalsContact O-N 3.1Å; W555-F559 HydrophobicContact CB-CD2 4.38Å; W555-F559 HydrophobicContact CB-CE2 4.36Å; W555-F559 WeakPolarHBondContact O-CD2 3.43Å; W555-F559 PolarHBondContact O-N 2.61Å |
| 556 | Q | 93.5 | Very high | 92.3 | Very high | 25 Ų | 25 | 35 Ų | 35 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.6 | -49 | 175.7 | -176.5 | 66.3 | 33.2 | 0 | 0 | 111.4 | L258 K262 I552 G553 V554 A558 F559 E560 | L258-Q556 PolarHBondContact O-NE2 3.02Å; K262-Q556 HydrophobicContact CD-CG 4.3Å; K262-Q556 HydrophobicContact CG-CG 4.42Å; I552-Q556 HydrophobicContact CD1-CB 4.19Å; I552-Q556 HydrophobicContact CG1-CB 4.1Å; G553-Q556 PolarHBondContact O-N 3.45Å; V554-Q556 PolarHBondContact O-N 2.87Å; Q556-A558 VanDerWaalsContact C-N 3.29Å; Q556-A558 PolarHBondContact O-N 2.64Å; Q556-F559 PolarHBondContact O-N 3.17Å; Q556-E560 WeakPolarHBondContact CG-OE1 3.19Å; Q556-E560 PolarHBondContact NE2-OE1 3.04Å; Q556-E560 WeakPolarHBondContact O-CB 3.33Å; Q556-E560 VanDerWaalsContact O-CG 3.32Å; Q556-E560 WeakPolarHBondContact O-CG 3.5Å; Q556-E560 PolarHBondContact O-N 2.9Å |
| 557 | L | 92.1 | Very high | 92.3 | Very high | 108 Ų | 108 | 34.8 Ų | 34.8 | 57% | 0.565 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -63.1 | -38 | 177.6 | 177.2 | 64.2 | 0 | 0 | 0 | 111.4 | V554 W555 T561 | V554-L557 WeakPolarHBondContact O-CB 3.3Å; V554-L557 PolarHBondContact O-N 3.1Å; V554-L557 VanDerWaalsContact O-N 3.1Å; W555-L557 VanDerWaalsContact C-N 3.33Å; W555-L557 PolarHBondContact O-N 3.04Å; L557-T561 WeakPolarHBondContact O-CB 3.4Å; L557-T561 PolarHBondContact O-N 3.46Å; L557-T561 PolarHBondContact O-OG1 3.42Å |
| 558 | A | 94 | Very high | 92.6 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -50.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L405 F502 V554 W555 Q556 E560 T561 M562 | L405-A558 HydrophobicContact CD1-CB 3.49Å; L405-A558 VanDerWaalsContact CD1-CB 3.49Å; F502-A558 HydrophobicContact CD2-CB 4.08Å; F502-A558 HydrophobicContact CE2-CB 3.79Å; F502-A558 WeakPolarHBondContact CE2-O 3.45Å; F502-A558 HydrophobicContact CZ-CB 4.45Å; V554-A558 PolarHBondContact O-N 3.27Å; V554-A558 VanDerWaalsContact O-N 3.11Å; W555-A558 HydrophobicContact CE3-CB 4.29Å; W555-A558 WeakPolarHBondContact O-CB 3.37Å; W555-A558 PolarHBondContact O-N 2.79Å; W555-A558 VanDerWaalsContact O-N 3.1Å; Q556-A558 VanDerWaalsContact C-N 3.29Å; Q556-A558 PolarHBondContact O-N 2.64Å; A558-E560 VanDerWaalsContact C-N 3.33Å; A558-E560 PolarHBondContact O-N 3.39Å; A558-T561 PolarHBondContact O-N 3.43Å; A558-M562 PolarHBondContact O-N 2.95Å |
| 559 | F | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.1 | -79.8 | -78.1 | 0 | 0 | 0 | 112.1 | F214 L258 L501 F502 F505 W555 Q556 M562 S563 | F214-F559 HydrophobicContact CE1-CD2 4.47Å; F214-F559 HydrophobicContact CE1-CE1 4.33Å; F214-F559 AromaticContact CE1-CE2 3.63Å; F214-F559 HydrophobicContact CE1-CE2 3.63Å; F214-F559 AromaticContact CE1-CZ 3.56Å; F214-F559 HydrophobicContact CE1-CZ 3.56Å; F214-F559 HydrophobicContact CZ-CD2 4.01Å; F214-F559 HydrophobicContact CZ-CE1 4.13Å; F214-F559 AromaticContact CZ-CE2 3.6Å; F214-F559 HydrophobicContact CZ-CE2 3.6Å; F214-F559 HydrophobicContact CZ-CG 4.5Å; F214-F559 AromaticContact CZ-CZ 3.68Å; F214-F559 HydrophobicContact CZ-CZ 3.68Å; L258-F559 HydrophobicContact CD1-CB 4.11Å; L258-F559 HydrophobicContact CD2-CB 3.62Å; L258-F559 HydrophobicContact CD2-CG 4.24Å; L501-F559 HydrophobicContact CB-CZ 4.2Å; F502-F559 HydrophobicContact CB-CE1 4.27Å; F502-F559 HydrophobicContact CB-CE2 4.44Å; F502-F559 HydrophobicContact CB-CZ 3.93Å; F502-F559 HydrophobicContact CD2-CD1 4.35Å; F502-F559 HydrophobicContact CD2-CE1 4.4Å; F502-F559 HydrophobicContact CD2-CG 4.46Å; F505-F559 HydrophobicContact CB-CD1 4Å; F505-F559 HydrophobicContact CB-CE1 3.68Å; F505-F559 AromaticContact CD1-CD1 3.51Å; F505-F559 HydrophobicContact CD1-CD1 3.51Å; F505-F559 HydrophobicContact CD1-CE1 4.11Å; F505-F559 HydrophobicContact CE1-CD1 4.15Å; F505-F559 AromaticContact CG-CD1 3.85Å; F505-F559 HydrophobicContact CG-CD1 3.85Å; F505-F559 HydrophobicContact CG-CE1 4.04Å; W555-F559 HydrophobicContact CB-CD2 4.38Å; W555-F559 HydrophobicContact CB-CE2 4.36Å; W555-F559 WeakPolarHBondContact O-CD2 3.43Å; W555-F559 PolarHBondContact O-N 2.61Å; Q556-F559 PolarHBondContact O-N 3.17Å; F559-M562 PolarHBondContact O-N 3.29Å; F559-S563 WeakPolarHBondContact O-CB 3.47Å; F559-S563 PolarHBondContact O-N 2.93Å |
| 560 | E | 94.8 | Very high | 93 | Very high | 54 Ų | 54 | 30 Ų | 30 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.9 | -74.4 | 170.2 | -175.3 | 0 | 0 | 111.7 | L258 K262 Q556 A558 S563 V564 | L258-E560 HydrophobicContact CD1-CG 4.04Å; K262-E560 IonicContact NZ-OE1 3.03Å; Q556-E560 WeakPolarHBondContact CG-OE1 3.19Å; Q556-E560 PolarHBondContact NE2-OE1 3.04Å; Q556-E560 WeakPolarHBondContact O-CB 3.33Å; Q556-E560 VanDerWaalsContact O-CG 3.32Å; Q556-E560 WeakPolarHBondContact O-CG 3.5Å; Q556-E560 PolarHBondContact O-N 2.9Å; A558-E560 VanDerWaalsContact C-N 3.33Å; A558-E560 PolarHBondContact O-N 3.39Å; E560-S563 WeakPolarHBondContact O-CB 3.18Å; E560-S563 PolarHBondContact O-N 2.88Å; E560-V564 WeakPolarHBondContact O-CG2 3.38Å; E560-V564 PolarHBondContact O-N 2.98Å |
| 561 | T | 94.8 | Very high | 93.1 | Very high | 67 Ų | 67 | 28.8 Ų | 28.8 | 41% | 0.411 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | L557 A558 S563 V564 I565 | L557-T561 WeakPolarHBondContact O-CB 3.4Å; L557-T561 PolarHBondContact O-N 3.46Å; L557-T561 PolarHBondContact O-OG1 3.42Å; A558-T561 PolarHBondContact O-N 3.43Å; T561-S563 VanDerWaalsContact C-N 3.29Å; T561-S563 PolarHBondContact O-N 3.46Å; T561-V564 WeakPolarHBondContact O-CB 3.06Å; T561-V564 PolarHBondContact O-N 3.31Å; T561-V564 VanDerWaalsContact O-N 3.08Å; T561-I565 HydrophobicContact CG2-CD1 4.12Å; T561-I565 WeakPolarHBondContact O-CG1 3.36Å; T561-I565 PolarHBondContact O-N 2.88Å |
| 562 | M | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 174.3 | 179.5 | 67.6 | 78 | 0 | 0 | 111.5 | F409 F413 F502 F505 G506 L510 A558 F559 V564 I565 S566 | F409-M562 HydrophobicContact CD2-CE 3.49Å; F409-M562 VanDerWaalsContact CD2-CE 3.49Å; F409-M562 HydrophobicContact CD2-SD 4.4Å; F409-M562 HydrophobicContact CE2-CE 3.4Å; F409-M562 HydrophobicContact CE2-SD 3.71Å; F413-M562 HydrophobicContact CE2-CE 3.78Å; F413-M562 HydrophobicContact CZ-CE 4.18Å; F502-M562 HydrophobicContact CD1-CE 4.47Å; F502-M562 HydrophobicContact CE1-CE 3.78Å; F502-M562 HydrophobicContact CE2-CB 3.87Å; F502-M562 HydrophobicContact CE2-CE 3.82Å; F502-M562 HydrophobicContact CZ-CB 4.4Å; F502-M562 HydrophobicContact CZ-CE 3.41Å; F502-M562 VanDerWaalsContact CZ-CE 3.41Å; F505-M562 HydrophobicContact CD1-CB 4.07Å; F505-M562 HydrophobicContact CD1-CG 3.63Å; F505-M562 HydrophobicContact CE1-CB 4.08Å; F505-M562 HydrophobicContact CE1-CG 3.87Å; G506-M562 VanDerWaalsContact CA-SD 3.51Å; L510-M562 HydrophobicContact CD1-SD 3.71Å; L510-M562 HydrophobicContact CD2-SD 3.95Å; L510-M562 HydrophobicContact CG-SD 3.76Å; A558-M562 PolarHBondContact O-N 2.95Å; F559-M562 PolarHBondContact O-N 3.29Å; M562-V564 VanDerWaalsContact C-N 3.28Å; M562-V564 PolarHBondContact O-N 2.84Å; M562-I565 PolarHBondContact O-N 3.47Å; M562-S566 PolarHBondContact O-N 3.11Å |
| 563 | S | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.7 | -26.5 | 176.9 | 175 | 0 | 0 | 0 | 0 | 113 | S254 F559 E560 T561 S566 K606 | S254-S563 PolarHBondContact OG-OG 3.45Å; F559-S563 WeakPolarHBondContact O-CB 3.47Å; F559-S563 PolarHBondContact O-N 2.93Å; E560-S563 WeakPolarHBondContact O-CB 3.18Å; E560-S563 PolarHBondContact O-N 2.88Å; T561-S563 VanDerWaalsContact C-N 3.29Å; T561-S563 PolarHBondContact O-N 3.46Å; S563-S566 WeakPolarHBondContact CA-OG 3.06Å; S563-S566 PolarHBondContact O-OG 2.85Å; S563-K606 VanDerWaalsContact O-CE 3.27Å; S563-K606 WeakPolarHBondContact O-CE 3.38Å; S563-K606 WeakPolarHBondContact OG-CE 3.36Å; S563-K606 PolarHBondContact OG-NZ 2.94Å |
| 564 | V | 95.3 | Very high | 93 | Very high | 44 Ų | 44 | 26.9 Ų | 26.9 | 27% | 0.267 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -75.3 | -45.8 | 171.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | E560 T561 M562 S566 V567 L603 K606 F607 | E560-V564 WeakPolarHBondContact O-CG2 3.38Å; E560-V564 PolarHBondContact O-N 2.98Å; T561-V564 WeakPolarHBondContact O-CB 3.06Å; T561-V564 PolarHBondContact O-N 3.31Å; T561-V564 VanDerWaalsContact O-N 3.08Å; M562-V564 VanDerWaalsContact C-N 3.28Å; M562-V564 PolarHBondContact O-N 2.84Å; V564-S566 PolarHBondContact O-N 2.98Å; V564-V567 WeakPolarHBondContact O-CB 3.28Å; V564-V567 PolarHBondContact O-N 3.19Å; V564-V567 VanDerWaalsContact O-N 3.14Å; V564-L603 HydrophobicContact CG1-CD2 4.06Å; V564-K606 HydrophobicContact CG2-CD 4.08Å; V564-F607 HydrophobicContact CG2-CZ 4.44Å |
| 565 | I | 95.2 | Very high | 93 | Very high | 56 Ų | 56 | 25.6 Ų | 25.6 | 29% | 0.287 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.2 | -38.1 | 177.2 | -63.3 | 167.8 | 0 | 0 | 0 | 110.2 | F409 F417 L510 T561 M562 V567 V568 T569 | F409-I565 HydrophobicContact CE1-CD1 4.46Å; F409-I565 HydrophobicContact CE2-CD1 4.44Å; F409-I565 HydrophobicContact CZ-CD1 3.94Å; F409-I565 HydrophobicContact CZ-CG2 4.45Å; F417-I565 HydrophobicContact CZ-CG2 4.47Å; L510-I565 HydrophobicContact CD2-CB 4.2Å; L510-I565 HydrophobicContact CD2-CG2 3.66Å; T561-I565 HydrophobicContact CG2-CD1 4.12Å; T561-I565 WeakPolarHBondContact O-CG1 3.36Å; T561-I565 PolarHBondContact O-N 2.88Å; M562-I565 PolarHBondContact O-N 3.47Å; I565-V567 VanDerWaalsContact C-N 3.3Å; I565-V567 PolarHBondContact O-N 3.25Å; I565-V568 PolarHBondContact O-N 3.47Å; I565-V568 VanDerWaalsContact O-N 3.14Å; I565-T569 PolarHBondContact O-N 3.41Å; I565-T569 PolarHBondContact O-OG1 2.8Å; I565-T569 VanDerWaalsContact O-OG1 3.04Å |
| 566 | S | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.7 | -27.6 | 179.4 | 71.3 | 0 | 0 | 0 | 0 | 114.2 | S509 M562 S563 V564 T569 N570 | S509-S566 WeakPolarHBondContact O-CB 3.25Å; S509-S566 WeakPolarHBondContact OG-CB 3.06Å; S509-S566 PolarHBondContact OG-OG 3.36Å; M562-S566 PolarHBondContact O-N 3.11Å; S563-S566 WeakPolarHBondContact CA-OG 3.06Å; S563-S566 PolarHBondContact O-OG 2.85Å; V564-S566 PolarHBondContact O-N 2.98Å; S566-T569 PolarHBondContact O-N 3.45Å; S566-N570 WeakPolarHBondContact O-CB 3.25Å; S566-N570 PolarHBondContact O-N 3.49Å; S566-N570 PolarHBondContact O-ND2 3.25Å |
| 567 | V | 93.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -50.2 | 171 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | L251 V564 I565 C571 E599 L602 L603 K606 | L251-V567 HydrophobicContact CD1-CB 4.41Å; L251-V567 HydrophobicContact CD1-CG1 4.25Å; L251-V567 HydrophobicContact CD1-CG2 4.17Å; L251-V567 HydrophobicContact CD2-CB 4.22Å; L251-V567 HydrophobicContact CD2-CG2 3.68Å; L251-V567 HydrophobicContact CG-CG2 4.32Å; V564-V567 WeakPolarHBondContact O-CB 3.28Å; V564-V567 PolarHBondContact O-N 3.19Å; V564-V567 VanDerWaalsContact O-N 3.14Å; I565-V567 VanDerWaalsContact C-N 3.3Å; I565-V567 PolarHBondContact O-N 3.25Å; V567-C571 WeakPolarHBondContact O-CB 3.39Å; V567-C571 PolarHBondContact O-N 3.17Å; V567-C571 PolarHBondContact O-SG 3.45Å; V567-E599 HydrophobicContact CG1-CG 4.32Å; V567-L602 HydrophobicContact CG1-CB 3.98Å; V567-L603 HydrophobicContact CB-CD2 3.9Å; V567-L603 HydrophobicContact CG1-CD2 3.91Å; V567-L603 HydrophobicContact CG1-CG 4.03Å; V567-L603 HydrophobicContact CG2-CD2 4.01Å; V567-K606 HydrophobicContact CG2-CD 4.24Å |
| 568 | V | 94.3 | Very high | 91.8 | Very high | 74 Ų | 74 | 27.6 Ų | 27.6 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | I565 C571 A572 | I565-V568 PolarHBondContact O-N 3.47Å; I565-V568 VanDerWaalsContact O-N 3.14Å; V568-C571 PolarHBondContact O-N 2.87Å; V568-A572 WeakPolarHBondContact O-CB 3.23Å; V568-A572 PolarHBondContact O-N 3.36Å |
| 569 | T | 94.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -48.8 | -179.5 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | F417 F421 L510 F511 I565 S566 A572 L573 | F417-T569 HydrophobicContact CE1-CG2 3.94Å; F421-T569 HydrophobicContact CE2-CG2 4.2Å; F421-T569 HydrophobicContact CZ-CG2 3.8Å; L510-T569 HydrophobicContact CB-CG2 4.28Å; L510-T569 WeakPolarHBondContact O-CG2 3.47Å; F511-T569 HydrophobicContact CE1-CG2 4.28Å; I565-T569 PolarHBondContact O-N 3.41Å; I565-T569 PolarHBondContact O-OG1 2.8Å; I565-T569 VanDerWaalsContact O-OG1 3.04Å; S566-T569 PolarHBondContact O-N 3.45Å; T569-A572 PolarHBondContact O-N 2.98Å; T569-L573 HydrophobicContact CG2-CD1 3.96Å; T569-L573 HydrophobicContact CG2-CG 4.5Å; T569-L573 WeakPolarHBondContact O-CB 3.33Å; T569-L573 VanDerWaalsContact O-CG 3.25Å; T569-L573 WeakPolarHBondContact O-CG 2.93Å; T569-L573 PolarHBondContact O-N 2.87Å |
| 570 | N | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | -179.1 | -72.9 | -78.3 | 0 | 0 | 0 | 111.6 | S509 S512 C513 S566 A572 L573 I574 | S509-N570 PolarHBondContact O-ND2 2.96Å; S512-N570 PolarHBondContact OG-OD1 3.28Å; C513-N570 PolarHBondContact N-OD1 3.41Å; C513-N570 PolarHBondContact SG-OD1 2.98Å; S566-N570 WeakPolarHBondContact O-CB 3.25Å; S566-N570 PolarHBondContact O-N 3.49Å; S566-N570 PolarHBondContact O-ND2 3.25Å; N570-A572 PolarHBondContact O-N 3.33Å; N570-L573 PolarHBondContact O-N 3.36Å; N570-I574 WeakPolarHBondContact O-CD1 3.36Å; N570-I574 VanDerWaalsContact O-CG1 3.23Å; N570-I574 WeakPolarHBondContact O-CG1 3.24Å; N570-I574 PolarHBondContact O-N 3.37Å |
| 571 | C | 91 | Very high | 90.1 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.2 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | V567 V568 I574 G575 V595 E599 | V567-C571 WeakPolarHBondContact O-CB 3.39Å; V567-C571 PolarHBondContact O-N 3.17Å; V567-C571 PolarHBondContact O-SG 3.45Å; V568-C571 PolarHBondContact O-N 2.87Å; C571-I574 PolarHBondContact O-N 3.39Å; C571-G575 PolarHBondContact O-N 2.81Å; C571-V595 HydrophobicContact CB-CG1 4.17Å; C571-V595 WeakPolarHBondContact O-CG1 3.36Å; C571-E599 HydrophobicContact CB-CB 3.99Å; C571-E599 HydrophobicContact CB-CG 4.18Å |
| 572 | A | 91.6 | Very high | 89.6 | Confident | 30 Ų | 30 | 29.9 Ų | 29.9 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F421 V568 T569 N570 I574 G575 M576 | F421-A572 HydrophobicContact CD1-CB 4.36Å; F421-A572 HydrophobicContact CE1-CB 3.5Å; F421-A572 HydrophobicContact CZ-CB 3.98Å; V568-A572 WeakPolarHBondContact O-CB 3.23Å; V568-A572 PolarHBondContact O-N 3.36Å; T569-A572 PolarHBondContact O-N 2.98Å; N570-A572 PolarHBondContact O-N 3.33Å; A572-I574 PolarHBondContact O-N 2.89Å; A572-G575 PolarHBondContact O-N 3.46Å; A572-M576 WeakPolarHBondContact O-CG 3.06Å; A572-M576 PolarHBondContact O-N 3.4Å |
| 573 | L | 89.4 | Confident | 89.2 | Confident | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 176.8 | -73.6 | 169.8 | 0 | 0 | 0 | 112.2 | A420 F421 M426 L429 F511 V514 T569 N570 M576 S577 | A420-L573 HydrophobicContact CB-CD2 4.06Å; F421-L573 HydrophobicContact CE1-CD2 4.1Å; F421-L573 HydrophobicContact CE1-CG 4.12Å; F421-L573 HydrophobicContact CZ-CD2 4.5Å; F421-L573 HydrophobicContact CZ-CG 4.29Å; M426-L573 HydrophobicContact CE-CD2 4.05Å; M426-L573 HydrophobicContact SD-CD2 4.19Å; L429-L573 HydrophobicContact CD2-CD2 4.44Å; F511-L573 HydrophobicContact CD1-CD1 4.22Å; V514-L573 HydrophobicContact CG2-CD1 3.89Å; V514-L573 HydrophobicContact CG2-CD2 3.98Å; V514-L573 HydrophobicContact CG2-CG 4.39Å; T569-L573 HydrophobicContact CG2-CD1 3.96Å; T569-L573 HydrophobicContact CG2-CG 4.5Å; T569-L573 WeakPolarHBondContact O-CB 3.33Å; T569-L573 VanDerWaalsContact O-CG 3.25Å; T569-L573 WeakPolarHBondContact O-CG 2.93Å; T569-L573 PolarHBondContact O-N 2.87Å; N570-L573 PolarHBondContact O-N 3.36Å; L573-M576 PolarHBondContact O-N 3.15Å; L573-S577 PolarHBondContact O-N 2.95Å |
| 574 | I | 87 | Confident | 88.8 | Confident | 24 Ų | 24 | 36.6 Ų | 36.6 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 175.2 | -67.9 | 164.1 | 0 | 0 | 0 | 110.6 | Y240 V244 A247 N570 C571 A572 M576 S577 V580 | Y240-I574 HydrophobicContact CE2-CG2 3.93Å; V244-I574 HydrophobicContact CG2-CG2 4.37Å; A247-I574 HydrophobicContact CB-CD1 3.56Å; N570-I574 WeakPolarHBondContact O-CD1 3.36Å; N570-I574 VanDerWaalsContact O-CG1 3.23Å; N570-I574 WeakPolarHBondContact O-CG1 3.24Å; N570-I574 PolarHBondContact O-N 3.37Å; C571-I574 PolarHBondContact O-N 3.39Å; A572-I574 PolarHBondContact O-N 2.89Å; I574-M576 PolarHBondContact O-N 3.13Å; I574-S577 WeakPolarHBondContact O-CB 3.42Å; I574-S577 PolarHBondContact O-N 3.16Å; I574-S577 VanDerWaalsContact O-N 3.09Å; I574-S577 PolarHBondContact O-OG 3.02Å; I574-V580 HydrophobicContact CG2-CG2 4.04Å; I574-V580 VanDerWaalsContact O-CG2 3.31Å; I574-V580 WeakPolarHBondContact O-CG2 3.49Å |
| 575 | G | 87.8 | Confident | 88.2 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -26.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C571 A572 N581 | C571-G575 PolarHBondContact O-N 2.81Å; A572-G575 PolarHBondContact O-N 3.46Å; G575-N581 PolarHBondContact O-ND2 3.06Å |
| 576 | M | 86.3 | Confident | 87.8 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 34% | 0.335 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8.6 | 176 | -70.2 | -171.4 | 178.8 | 0 | 0 | 113.7 | F421 K424 A572 L573 I574 N581 | F421-M576 HydrophobicContact CB-CE 4.42Å; F421-M576 HydrophobicContact CD1-CE 3.79Å; F421-M576 HydrophobicContact CD1-SD 3.84Å; K424-M576 HydrophobicContact CG-SD 4.29Å; A572-M576 WeakPolarHBondContact O-CG 3.06Å; A572-M576 PolarHBondContact O-N 3.4Å; L573-M576 PolarHBondContact O-N 3.15Å; I574-M576 PolarHBondContact O-N 3.13Å; M576-N581 PolarHBondContact O-ND2 3.21Å |
| 577 | S | 83.6 | Confident | 87.6 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -67.5 | 145.7 | -177.1 | 82.4 | 0 | 0 | 0 | 0 | 111.5 | L573 I574 Q579 V580 N581 | L573-S577 PolarHBondContact O-N 2.95Å; I574-S577 WeakPolarHBondContact O-CB 3.42Å; I574-S577 PolarHBondContact O-N 3.16Å; I574-S577 VanDerWaalsContact O-N 3.09Å; I574-S577 PolarHBondContact O-OG 3.02Å; S577-Q579 PolarHBondContact O-N 3.22Å; S577-Q579 PolarHBondContact OG-OE1 3.36Å; S577-V580 PolarHBondContact O-N 3.21Å; S577-V580 VanDerWaalsContact OG-CG2 3.31Å; S577-V580 WeakPolarHBondContact OG-CG2 3.29Å; S577-V580 PolarHBondContact OG-N 3.43Å; S577-N581 PolarHBondContact O-N 3.47Å; S577-N581 VanDerWaalsContact O-N 3.08Å; S577-N581 PolarHBondContact O-ND2 3.1Å |
| 578 | P | 82.9 | Confident | 87.5 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.1 | -31.3 | 178.6 | 21.9 | -29.7 | 0 | 0 | 0 | 111.9 | V580 N581 A582 | P578-V580 PolarHBondContact O-N 3.44Å; P578-N581 PolarHBondContact O-N 2.9Å; P578-A582 WeakPolarHBondContact O-CB 3.45Å; P578-A582 PolarHBondContact O-N 2.97Å |
| 579 | Q | 81.8 | Confident | 87.3 | Confident | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.4 | -58.5 | 88.1 | -9.9 | 0 | 0 | 111.8 | E238 S577 A582 | E238-Q579 PolarHBondContact O-NE2 2.97Å; S577-Q579 PolarHBondContact O-N 3.22Å; S577-Q579 PolarHBondContact OG-OE1 3.36Å; Q579-A582 PolarHBondContact O-N 3.45Å |
| 580 | V | 82.2 | Confident | 87.1 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73 | -39.6 | 179.6 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | Y240 I574 S577 P578 A582 I583 F584 L591 | Y240-V580 HydrophobicContact CD2-CG2 3.14Å; Y240-V580 HydrophobicContact CE2-CB 4.46Å; Y240-V580 HydrophobicContact CE2-CG2 3.11Å; Y240-V580 HydrophobicContact CG-CG2 4.14Å; I574-V580 HydrophobicContact CG2-CG2 4.04Å; I574-V580 VanDerWaalsContact O-CG2 3.31Å; I574-V580 WeakPolarHBondContact O-CG2 3.49Å; S577-V580 PolarHBondContact O-N 3.21Å; S577-V580 VanDerWaalsContact OG-CG2 3.31Å; S577-V580 WeakPolarHBondContact OG-CG2 3.29Å; S577-V580 PolarHBondContact OG-N 3.43Å; P578-V580 PolarHBondContact O-N 3.44Å; V580-A582 PolarHBondContact O-N 2.87Å; V580-I583 WeakPolarHBondContact O-CB 3.35Å; V580-I583 PolarHBondContact O-N 3.34Å; V580-F584 PolarHBondContact O-N 2.96Å; V580-L591 HydrophobicContact CG1-CD1 3.31Å |
| 581 | N | 84.6 | Confident | 87.1 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -25.8 | 176.3 | -83.5 | -70.5 | 0 | 0 | 0 | 113 | G575 M576 S577 P578 F584 K588 L591 | G575-N581 PolarHBondContact O-ND2 3.06Å; M576-N581 PolarHBondContact O-ND2 3.21Å; S577-N581 PolarHBondContact O-N 3.47Å; S577-N581 VanDerWaalsContact O-N 3.08Å; S577-N581 PolarHBondContact O-ND2 3.1Å; P578-N581 PolarHBondContact O-N 2.9Å; N581-F584 CarbonylContact O-C 3.26Å; N581-F584 VanDerWaalsContact O-C 3.26Å; N581-K588 PolarHBondContact O-NZ 3.03Å; N581-K588 PolarHBondContact OD1-NZ 3.37Å; N581-L591 WeakPolarHBondContact OD1-CD2 3.31Å |
| 582 | A | 85.9 | Confident | 87.1 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -72.2 | -25.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P578 Q579 V580 | P578-A582 WeakPolarHBondContact O-CB 3.45Å; P578-A582 PolarHBondContact O-N 2.97Å; Q579-A582 PolarHBondContact O-N 3.45Å; V580-A582 PolarHBondContact O-N 2.87Å |
| 583 | I | 85.1 | Confident | 87.2 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 46% | 0.456 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.9 | -33.5 | 175.5 | -57.9 | 171.4 | 0 | 0 | 0 | 110.6 | Y240 V580 P585 | Y240-I583 HydrophobicContact CD1-CD1 3.93Å; Y240-I583 HydrophobicContact CE1-CD1 4Å; Y240-I583 HydrophobicContact CG-CD1 4.42Å; V580-I583 WeakPolarHBondContact O-CB 3.35Å; V580-I583 PolarHBondContact O-N 3.34Å; I583-P585 VanDerWaalsContact C-CD 3.41Å; I583-P585 VanDerWaalsContact O-CD 3.29Å; I583-P585 WeakPolarHBondContact O-CD 3.38Å |
| 584 | F | 87.6 | Confident | 87.2 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 23% | 0.232 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -120.7 | 72.3 | 179.5 | -58.5 | -84.9 | 0 | 0 | 0 | 111 | V580 N581 K588 L591 I594 | V580-F584 PolarHBondContact O-N 2.96Å; N581-F584 CarbonylContact O-C 3.26Å; N581-F584 VanDerWaalsContact O-C 3.26Å; F584-K588 PolarHBondContact O-NZ 3.07Å; F584-L591 HydrophobicContact CB-CB 4.01Å; F584-L591 HydrophobicContact CD2-CB 4.22Å; F584-L591 HydrophobicContact CD2-CD1 3.93Å; F584-L591 HydrophobicContact CE2-CD1 4.43Å; F584-L591 HydrophobicContact CG-CB 4.13Å; F584-I594 HydrophobicContact CE1-CD1 3.62Å; F584-I594 HydrophobicContact CE2-CD1 4.14Å; F584-I594 HydrophobicContact CZ-CD1 3.3Å |
| 585 | P | 83.2 | Confident | 87.4 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -70.9 | -39.4 | -177.2 | 26.2 | -31.8 | 0 | 0 | 0 | 112.2 | I583 | I583-P585 VanDerWaalsContact C-CD 3.41Å; I583-P585 VanDerWaalsContact O-CD 3.29Å; I583-P585 WeakPolarHBondContact O-CD 3.38Å |
| 586 | E | 86.1 | Confident | 87.8 | Confident | 189 Ų | 189 | 69.6 Ų | 69.6 | 88% | 0.883 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -92.6 | -44.3 | -173.4 | -61.6 | -167.8 | 172.8 | 0 | 0 | 113.6 | ||
| 587 | S | 90.8 | Very high | 88.1 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | trans | -105.2 | 96.4 | -175.6 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | A589 D590 | S587-A589 VanDerWaalsContact C-N 3.3Å; S587-D590 WeakPolarHBondContact CB-OD2 3.36Å; S587-D590 PolarHBondContact OG-N 3.33Å; S587-D590 PolarHBondContact OG-OD2 3.5Å | ||
| 588 | K | 90.1 | Very high | 88.4 | Confident | 91 Ų | 91 | 72 Ų | 72 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73 | -23.2 | 172.6 | -60.6 | -56.6 | 178.7 | -167.2 | 0 | 113.2 | N581 F584 L591 I592 | N581-K588 PolarHBondContact O-NZ 3.03Å; N581-K588 PolarHBondContact OD1-NZ 3.37Å; F584-K588 PolarHBondContact O-NZ 3.07Å; K588-L591 HydrophobicContact CD-CD2 4.4Å; K588-I592 WeakPolarHBondContact O-CG1 3.28Å; K588-I592 PolarHBondContact O-N 3.3Å; K588-I592 VanDerWaalsContact O-N 3.16Å |
| 589 | A | 91.2 | Very high | 88.9 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 52% | 0.521 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S587 L591 I592 L593 | S587-A589 VanDerWaalsContact C-N 3.3Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 3.06Å; A589-I592 PolarHBondContact O-N 3.31Å; A589-L593 WeakPolarHBondContact O-CG 3.34Å; A589-L593 PolarHBondContact O-N 3.05Å |
| 590 | D | 89.9 | Confident | 89.6 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66 | -38 | 179.3 | -62.9 | -31.7 | 0 | 0 | 0 | 111.6 | S587 I592 L593 I594 | S587-D590 WeakPolarHBondContact CB-OD2 3.36Å; S587-D590 PolarHBondContact OG-N 3.33Å; S587-D590 PolarHBondContact OG-OD2 3.5Å; D590-I592 PolarHBondContact O-N 3.44Å; D590-L593 PolarHBondContact O-N 2.95Å; D590-I594 WeakPolarHBondContact O-CB 3.45Å; D590-I594 VanDerWaalsContact O-CG1 3.28Å; D590-I594 WeakPolarHBondContact O-CG1 3.24Å; D590-I594 PolarHBondContact O-N 3.38Å |
| 591 | L | 90.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -56.7 | -50 | 172.7 | 170.9 | 57.7 | 0 | 0 | 0 | 111.6 | V580 N581 F584 K588 A589 L593 I594 V595 | V580-L591 HydrophobicContact CG1-CD1 3.31Å; N581-L591 WeakPolarHBondContact OD1-CD2 3.31Å; F584-L591 HydrophobicContact CB-CB 4.01Å; F584-L591 HydrophobicContact CD2-CB 4.22Å; F584-L591 HydrophobicContact CD2-CD1 3.93Å; F584-L591 HydrophobicContact CE2-CD1 4.43Å; F584-L591 HydrophobicContact CG-CB 4.13Å; K588-L591 HydrophobicContact CD-CD2 4.4Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 3.06Å; L591-L593 VanDerWaalsContact C-N 3.35Å; L591-L593 PolarHBondContact O-N 3.25Å; L591-I594 PolarHBondContact O-N 3.33Å; L591-V595 HydrophobicContact CD1-CG2 3.93Å; L591-V595 VanDerWaalsContact O-CG2 3.31Å; L591-V595 WeakPolarHBondContact O-CG2 3.34Å; L591-V595 PolarHBondContact O-N 3.49Å |
| 592 | I | 92.2 | Very high | 90.4 | Very high | 108 Ų | 108 | 73.3 Ų | 73.3 | 55% | 0.554 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | -179.8 | -66.4 | 166.6 | 0 | 0 | 0 | 110.3 | K588 A589 D590 I594 V595 V596 | K588-I592 WeakPolarHBondContact O-CG1 3.28Å; K588-I592 PolarHBondContact O-N 3.3Å; K588-I592 VanDerWaalsContact O-N 3.16Å; A589-I592 PolarHBondContact O-N 3.31Å; D590-I592 PolarHBondContact O-N 3.44Å; I592-I594 VanDerWaalsContact C-N 3.33Å; I592-I594 PolarHBondContact O-N 3.31Å; I592-V595 PolarHBondContact O-N 3.31Å; I592-V596 HydrophobicContact CG2-CG2 4.19Å; I592-V596 WeakPolarHBondContact O-CB 3.37Å; I592-V596 VanDerWaalsContact O-CG2 3.26Å; I592-V596 WeakPolarHBondContact O-CG2 3.36Å; I592-V596 PolarHBondContact O-N 3.09Å |
| 593 | L | 93.3 | Very high | 90.8 | Very high | 116 Ų | 116 | 71.3 Ų | 71.3 | 61% | 0.607 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 178.1 | -73.4 | 173.5 | 0 | 0 | 0 | 112.2 | A589 D590 L591 A597 | A589-L593 WeakPolarHBondContact O-CG 3.34Å; A589-L593 PolarHBondContact O-N 3.05Å; D590-L593 PolarHBondContact O-N 2.95Å; L591-L593 VanDerWaalsContact C-N 3.35Å; L591-L593 PolarHBondContact O-N 3.25Å; L593-A597 VanDerWaalsContact O-CB 3.28Å; L593-A597 WeakPolarHBondContact O-CB 3.31Å; L593-A597 PolarHBondContact O-N 3.43Å |
| 594 | I | 90.4 | Very high | 91.2 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 177 | -70 | 167.3 | 0 | 0 | 0 | 110.8 | F584 D590 L591 I592 V596 A597 V598 | F584-I594 HydrophobicContact CE1-CD1 3.62Å; F584-I594 HydrophobicContact CE2-CD1 4.14Å; F584-I594 HydrophobicContact CZ-CD1 3.3Å; D590-I594 WeakPolarHBondContact O-CB 3.45Å; D590-I594 VanDerWaalsContact O-CG1 3.28Å; D590-I594 WeakPolarHBondContact O-CG1 3.24Å; D590-I594 PolarHBondContact O-N 3.38Å; L591-I594 PolarHBondContact O-N 3.33Å; I592-I594 VanDerWaalsContact C-N 3.33Å; I592-I594 PolarHBondContact O-N 3.31Å; I594-V596 VanDerWaalsContact C-N 3.34Å; I594-V596 PolarHBondContact O-N 3.1Å; I594-A597 PolarHBondContact O-N 3.29Å; I594-V598 HydrophobicContact CG2-CG2 4.44Å; I594-V598 WeakPolarHBondContact O-CG2 2.98Å; I594-V598 PolarHBondContact O-N 2.98Å |
| 595 | V | 90.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 70.2 Ų | 70.2 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 178.3 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | C571 L591 I592 V598 E599 | C571-V595 HydrophobicContact CB-CG1 4.17Å; C571-V595 WeakPolarHBondContact O-CG1 3.36Å; L591-V595 HydrophobicContact CD1-CG2 3.93Å; L591-V595 VanDerWaalsContact O-CG2 3.31Å; L591-V595 WeakPolarHBondContact O-CG2 3.34Å; L591-V595 PolarHBondContact O-N 3.49Å; I592-V595 PolarHBondContact O-N 3.31Å; V595-V598 PolarHBondContact O-N 3.4Å; V595-E599 VanDerWaalsContact O-CB 3.23Å; V595-E599 WeakPolarHBondContact O-CB 3.33Å; V595-E599 PolarHBondContact O-N 3.02Å |
| 596 | V | 94.4 | Very high | 91.8 | Very high | 64 Ų | 64 | 66.6 Ų | 66.6 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | I592 I594 E599 H600 | I592-V596 HydrophobicContact CG2-CG2 4.19Å; I592-V596 WeakPolarHBondContact O-CB 3.37Å; I592-V596 VanDerWaalsContact O-CG2 3.26Å; I592-V596 WeakPolarHBondContact O-CG2 3.36Å; I592-V596 PolarHBondContact O-N 3.09Å; I594-V596 VanDerWaalsContact C-N 3.34Å; I594-V596 PolarHBondContact O-N 3.1Å; V596-E599 WeakPolarHBondContact O-CB 3.49Å; V596-E599 PolarHBondContact O-N 3.27Å; V596-H600 PolarHBondContact O-N 3.31Å; V596-H600 PolarHBondContact O-ND1 2.86Å |
| 597 | A | 93.5 | Very high | 92.2 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L593 I594 E599 H600 A601 | L593-A597 VanDerWaalsContact O-CB 3.28Å; L593-A597 WeakPolarHBondContact O-CB 3.31Å; L593-A597 PolarHBondContact O-N 3.43Å; I594-A597 PolarHBondContact O-N 3.29Å; A597-E599 VanDerWaalsContact C-N 3.35Å; A597-H600 PolarHBondContact O-N 3.49Å; A597-A601 WeakPolarHBondContact O-CB 3.49Å; A597-A601 PolarHBondContact O-N 3.43Å |
| 598 | V | 90.8 | Very high | 92.4 | Very high | 72 Ų | 72 | 66.4 Ų | 66.4 | 44% | 0.436 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | I594 V595 A601 L602 | I594-V598 HydrophobicContact CG2-CG2 4.44Å; I594-V598 WeakPolarHBondContact O-CG2 2.98Å; I594-V598 PolarHBondContact O-N 2.98Å; V595-V598 PolarHBondContact O-N 3.4Å; V598-A601 PolarHBondContact O-N 3.05Å; V598-L602 HydrophobicContact CG1-CD1 3.83Å; V598-L602 HydrophobicContact CG1-CG 4.38Å; V598-L602 WeakPolarHBondContact O-CB 3.25Å; V598-L602 VanDerWaalsContact O-CG 3.31Å; V598-L602 WeakPolarHBondContact O-CG 3.18Å; V598-L602 PolarHBondContact O-N 3.39Å |
| 599 | E | 93.4 | Very high | 92.6 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 11% | 0.112 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 177.2 | -178.7 | -80.7 | 146.7 | 0 | 0 | 111.6 | V567 C571 V595 V596 A597 A601 L602 L603 | V567-E599 HydrophobicContact CG1-CG 4.32Å; C571-E599 HydrophobicContact CB-CB 3.99Å; C571-E599 HydrophobicContact CB-CG 4.18Å; V595-E599 VanDerWaalsContact O-CB 3.23Å; V595-E599 WeakPolarHBondContact O-CB 3.33Å; V595-E599 PolarHBondContact O-N 3.02Å; V596-E599 WeakPolarHBondContact O-CB 3.49Å; V596-E599 PolarHBondContact O-N 3.27Å; A597-E599 VanDerWaalsContact C-N 3.35Å; E599-A601 VanDerWaalsContact C-N 3.34Å; E599-A601 PolarHBondContact O-N 2.92Å; E599-L602 PolarHBondContact O-N 3.44Å; E599-L603 PolarHBondContact O-N 3.08Å; E599-L603 WeakPolarHBondContact OE1-CD1 3.23Å; E599-L603 WeakPolarHBondContact OE1-CG 3.29Å |
| 600 | H | 94.6 | Very high | 92.6 | Very high | 117 Ų | 117 | 62.5 Ų | 62.5 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 175.6 | -77.3 | 61.2 | 0 | 0 | 0 | 112.4 | V596 A597 L603 A604 | V596-H600 PolarHBondContact O-N 3.31Å; V596-H600 PolarHBondContact O-ND1 2.86Å; A597-H600 PolarHBondContact O-N 3.49Å; H600-L603 PolarHBondContact O-N 2.97Å; H600-A604 VanDerWaalsContact O-CB 3.3Å; H600-A604 WeakPolarHBondContact O-CB 3.05Å; H600-A604 PolarHBondContact O-N 3.34Å |
| 601 | A | 92.7 | Very high | 92.8 | Very high | 61 Ų | 61 | 67.6 Ų | 67.6 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A597 V598 E599 A604 L605 | A597-A601 WeakPolarHBondContact O-CB 3.49Å; A597-A601 PolarHBondContact O-N 3.43Å; V598-A601 PolarHBondContact O-N 3.05Å; E599-A601 VanDerWaalsContact C-N 3.34Å; E599-A601 PolarHBondContact O-N 2.92Å; A601-A604 PolarHBondContact O-N 2.82Å; A601-L605 WeakPolarHBondContact O-CB 3.38Å; A601-L605 PolarHBondContact O-N 3.07Å |
| 602 | L | 91.4 | Very high | 93 | Very high | 30 Ų | 30 | 70.4 Ų | 70.4 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 176.3 | -72.5 | 168.8 | 0 | 0 | 0 | 111.9 | L251 V567 V598 E599 L605 K606 | L251-L602 HydrophobicContact CD1-CD1 3.8Å; V567-L602 HydrophobicContact CG1-CB 3.98Å; V598-L602 HydrophobicContact CG1-CD1 3.83Å; V598-L602 HydrophobicContact CG1-CG 4.38Å; V598-L602 WeakPolarHBondContact O-CB 3.25Å; V598-L602 VanDerWaalsContact O-CG 3.31Å; V598-L602 WeakPolarHBondContact O-CG 3.18Å; V598-L602 PolarHBondContact O-N 3.39Å; E599-L602 PolarHBondContact O-N 3.44Å; L602-L605 PolarHBondContact O-N 3.23Å; L602-K606 VanDerWaalsContact O-CB 3.28Å; L602-K606 WeakPolarHBondContact O-CB 3.18Å; L602-K606 PolarHBondContact O-N 3.04Å |
| 603 | L | 93.8 | Very high | 93.1 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 172.4 | -77.1 | -172.2 | 0 | 0 | 0 | 111.9 | V564 V567 E599 H600 K606 F607 | V564-L603 HydrophobicContact CG1-CD2 4.06Å; V567-L603 HydrophobicContact CB-CD2 3.9Å; V567-L603 HydrophobicContact CG1-CD2 3.91Å; V567-L603 HydrophobicContact CG1-CG 4.03Å; V567-L603 HydrophobicContact CG2-CD2 4.01Å; E599-L603 PolarHBondContact O-N 3.08Å; E599-L603 WeakPolarHBondContact OE1-CD1 3.23Å; E599-L603 WeakPolarHBondContact OE1-CG 3.29Å; H600-L603 PolarHBondContact O-N 2.97Å; L603-K606 HydrophobicContact CD2-CD 4.49Å; L603-K606 VanDerWaalsContact O-CB 3.26Å; L603-K606 WeakPolarHBondContact O-CB 3.4Å; L603-K606 PolarHBondContact O-N 3.02Å; L603-F607 HydrophobicContact CB-CE2 4.29Å; L603-F607 WeakPolarHBondContact O-CD2 3.43Å; L603-F607 PolarHBondContact O-N 2.96Å |
| 604 | A | 94.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | H600 A601 K606 F607 I608 | H600-A604 VanDerWaalsContact O-CB 3.3Å; H600-A604 WeakPolarHBondContact O-CB 3.05Å; H600-A604 PolarHBondContact O-N 3.34Å; A601-A604 PolarHBondContact O-N 2.82Å; A604-K606 VanDerWaalsContact C-N 3.28Å; A604-K606 PolarHBondContact O-N 3.28Å; A604-F607 PolarHBondContact O-N 3.26Å; A604-I608 WeakPolarHBondContact O-CB 3.44Å; A604-I608 WeakPolarHBondContact O-CD1 3.36Å; A604-I608 WeakPolarHBondContact O-CG1 3.44Å; A604-I608 PolarHBondContact O-N 3.06Å |
| 605 | L | 92.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 64.9 Ų | 64.9 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 175.2 | 180 | 61.8 | 0 | 0 | 0 | 111.6 | I252 A601 L602 I608 L609 | I252-L605 HydrophobicContact CD1-CD2 4.35Å; I252-L605 HydrophobicContact CG1-CD2 4.38Å; A601-L605 WeakPolarHBondContact O-CB 3.38Å; A601-L605 PolarHBondContact O-N 3.07Å; L602-L605 PolarHBondContact O-N 3.23Å; L605-I608 PolarHBondContact O-N 2.87Å; L605-L609 HydrophobicContact CD1-CD1 4.37Å; L605-L609 HydrophobicContact CD1-CG 4.29Å; L605-L609 HydrophobicContact CG-CD1 4.15Å; L605-L609 HydrophobicContact CG-CG 4.49Å; L605-L609 WeakPolarHBondContact O-CB 3.29Å; L605-L609 WeakPolarHBondContact O-CG 3.45Å; L605-L609 PolarHBondContact O-N 3.42Å |
| 606 | K | 91.9 | Very high | 93.4 | Very high | 17 Ų | 17 | 67.1 Ų | 67.1 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58 | -52.2 | 176.5 | -167.7 | -169.7 | -155.3 | -47.2 | 0 | 111.8 | T255 S563 V564 V567 L602 L603 A604 I608 L609 A610 | T255-K606 HydrophobicContact CG2-CG 3.99Å; T255-K606 WeakPolarHBondContact OG1-CE 3.2Å; T255-K606 VanDerWaalsContact OG1-CG 3.23Å; T255-K606 WeakPolarHBondContact OG1-CG 3.17Å; T255-K606 PolarHBondContact OG1-NZ 2.81Å; S563-K606 VanDerWaalsContact O-CE 3.27Å; S563-K606 WeakPolarHBondContact O-CE 3.38Å; S563-K606 WeakPolarHBondContact OG-CE 3.36Å; S563-K606 PolarHBondContact OG-NZ 2.94Å; V564-K606 HydrophobicContact CG2-CD 4.08Å; V567-K606 HydrophobicContact CG2-CD 4.24Å; L602-K606 VanDerWaalsContact O-CB 3.28Å; L602-K606 WeakPolarHBondContact O-CB 3.18Å; L602-K606 PolarHBondContact O-N 3.04Å; L603-K606 HydrophobicContact CD2-CD 4.49Å; L603-K606 VanDerWaalsContact O-CB 3.26Å; L603-K606 WeakPolarHBondContact O-CB 3.4Å; L603-K606 PolarHBondContact O-N 3.02Å; A604-K606 VanDerWaalsContact C-N 3.28Å; A604-K606 PolarHBondContact O-N 3.28Å; K606-I608 VanDerWaalsContact C-N 3.33Å; K606-L609 PolarHBondContact O-N 3.43Å; K606-A610 WeakPolarHBondContact O-CB 3.3Å; K606-A610 PolarHBondContact O-N 3.49Å |
| 607 | F | 93.9 | Very high | 93.4 | Very high | 122 Ų | 122 | 64.7 Ų | 64.7 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 179.8 | -69.1 | -58 | 0 | 0 | 0 | 111.9 | V564 L603 A604 A610 F611 | V564-F607 HydrophobicContact CG2-CZ 4.44Å; L603-F607 HydrophobicContact CB-CE2 4.29Å; L603-F607 WeakPolarHBondContact O-CD2 3.43Å; L603-F607 PolarHBondContact O-N 2.96Å; A604-F607 PolarHBondContact O-N 3.26Å; F607-A610 PolarHBondContact O-N 2.92Å; F607-F611 VanDerWaalsContact O-CB 3.29Å; F607-F611 WeakPolarHBondContact O-CB 3.5Å; F607-F611 PolarHBondContact O-N 2.82Å |
| 608 | I | 95.2 | Very high | 93.5 | Very high | 106 Ų | 106 | 70.4 Ų | 70.4 | 54% | 0.544 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 173.1 | -69.9 | 164.7 | 0 | 0 | 0 | 110.5 | A604 L605 K606 F611 A612 | A604-I608 WeakPolarHBondContact O-CB 3.44Å; A604-I608 WeakPolarHBondContact O-CD1 3.36Å; A604-I608 WeakPolarHBondContact O-CG1 3.44Å; A604-I608 PolarHBondContact O-N 3.06Å; L605-I608 PolarHBondContact O-N 2.87Å; K606-I608 VanDerWaalsContact C-N 3.33Å; I608-F611 PolarHBondContact O-N 3.29Å; I608-A612 WeakPolarHBondContact O-CB 3.44Å; I608-A612 PolarHBondContact O-N 2.97Å |
| 609 | L | 93.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 71.5 Ų | 71.5 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.9 | -75.6 | 172.9 | 0 | 0 | 0 | 111.9 | I252 T255 L605 K606 F611 A612 I613 | I252-L609 HydrophobicContact CG2-CD1 4.15Å; T255-L609 HydrophobicContact CG2-CB 4.2Å; L605-L609 HydrophobicContact CD1-CD1 4.37Å; L605-L609 HydrophobicContact CD1-CG 4.29Å; L605-L609 HydrophobicContact CG-CD1 4.15Å; L605-L609 HydrophobicContact CG-CG 4.49Å; L605-L609 WeakPolarHBondContact O-CB 3.29Å; L605-L609 WeakPolarHBondContact O-CG 3.45Å; L605-L609 PolarHBondContact O-N 3.42Å; K606-L609 PolarHBondContact O-N 3.43Å; L609-F611 VanDerWaalsContact C-N 3.28Å; L609-F611 PolarHBondContact O-N 2.84Å; L609-A612 PolarHBondContact O-N 3.42Å; L609-I613 WeakPolarHBondContact O-CG1 3.29Å; L609-I613 PolarHBondContact O-N 2.91Å |
| 610 | A | 91.9 | Very high | 93.9 | Very high | 28 Ų | 28 | 70.4 Ų | 70.4 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T255 E259 K606 F607 | T255-A610 HydrophobicContact CG2-CB 4.31Å; E259-A610 HydrophobicContact CG-CB 4.46Å; E259-A610 WeakPolarHBondContact OE1-CB 3.17Å; K606-A610 WeakPolarHBondContact O-CB 3.3Å; K606-A610 PolarHBondContact O-N 3.49Å; F607-A610 PolarHBondContact O-N 2.92Å |
| 611 | F | 93.9 | Very high | 93.9 | Very high | 186 Ų | 186 | 67.7 Ų | 67.7 | 82% | 0.816 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -77.2 | -37 | 176 | -177.7 | -99.9 | 0 | 0 | 0 | 113 | F607 I608 L609 | F607-F611 VanDerWaalsContact O-CB 3.29Å; F607-F611 WeakPolarHBondContact O-CB 3.5Å; F607-F611 PolarHBondContact O-N 2.82Å; I608-F611 PolarHBondContact O-N 3.29Å; L609-F611 VanDerWaalsContact C-N 3.28Å; L609-F611 PolarHBondContact O-N 2.84Å |
| 612 | A | 95.3 | Very high | 94 | Very high | 69 Ų | 69 | 67.9 Ų | 67.9 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -73.3 | -32.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I608 L609 P614 | I608-A612 WeakPolarHBondContact O-CB 3.44Å; I608-A612 PolarHBondContact O-N 2.97Å; L609-A612 PolarHBondContact O-N 3.42Å; A612-P614 VanDerWaalsContact O-CD 3.31Å; A612-P614 WeakPolarHBondContact O-CD 3.23Å |
| 613 | I | 93.5 | Very high | 94.2 | Very high | 38 Ų | 38 | 70.6 Ų | 70.6 | 20% | 0.195 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -84.5 | 113 | 177.1 | -59.9 | 168.7 | 0 | 0 | 0 | 108.3 | E259 L609 D615 | E259-I613 HydrophobicContact CB-CB 4.14Å; E259-I613 HydrophobicContact CB-CD1 4.04Å; E259-I613 HydrophobicContact CB-CG2 3.88Å; E259-I613 HydrophobicContact CG-CB 4.37Å; E259-I613 HydrophobicContact CG-CD1 4.3Å; L609-I613 WeakPolarHBondContact O-CG1 3.29Å; L609-I613 PolarHBondContact O-N 2.91Å; I613-D615 PolarHBondContact O-N 3.02Å |
| 614 | P | 93.5 | Very high | 94.2 | Very high | 61 Ų | 61 | 71 Ų | 71 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | trans | -74 | 134.4 | -178 | 24.5 | -26.5 | 0 | 0 | 0 | 110.8 | R263 A612 K616 | R263-P614 WeakPolarHBondContact CD-O 3.18Å; R263-P614 VanDerWaalsContact CG-O 3.24Å; R263-P614 WeakPolarHBondContact CG-O 3.32Å; R263-P614 PolarHBondContact NH1-O 2.69Å; A612-P614 VanDerWaalsContact O-CD 3.31Å; A612-P614 WeakPolarHBondContact O-CD 3.23Å; P614-K616 PolarHBondContact O-N 2.99Å; P614-K616 VanDerWaalsContact O-N 3.1Å | ||
| 615 | D | 93.3 | Very high | 94.2 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -52.2 | -34.3 | 179.8 | -65.8 | -19.4 | 0 | 0 | 0 | 113.9 | K262 R263 I613 | K262-D615 CarbonylContact C-O 3.43Å; K262-D615 VanDerWaalsContact C-O 3.3Å; K262-D615 VanDerWaalsContact CE-OD1 3.25Å; K262-D615 WeakPolarHBondContact CE-OD1 3.26Å; K262-D615 IonicContact NZ-OD1 3.87Å; K262-D615 PolarHBondContact NZ-OD1 3.45Å; R263-D615 VanDerWaalsContact CA-O 3.26Å; R263-D615 WeakPolarHBondContact CA-O 3.3Å; R263-D615 WeakPolarHBondContact CG-O 3.41Å; R263-D615 PolarHBondContact N-O 2.86Å; I613-D615 PolarHBondContact O-N 3.02Å |
| 616 | K | 93.7 | Very high | 94.3 | Very high | 77 Ų | 77 | 75 Ų | 75 | 34% | 0.335 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -112.3 | 133 | -177.4 | -59.6 | -175.3 | -167.5 | -61.9 | 0 | 110.5 | A266 P614 Q621 L624 | A266-K616 HydrophobicContact CB-CG 4.21Å; P614-K616 PolarHBondContact O-N 2.99Å; P614-K616 VanDerWaalsContact O-N 3.1Å; K616-Q621 HydrophobicContact CB-CG 3.88Å; K616-Q621 PolarHBondContact O-NE2 2.92Å; K616-L624 HydrophobicContact CD-CD1 3.88Å |
| 617 | P | 96.3 | Very high | 94.3 | Very high | 12 Ų | 12 | 76.6 Ų | 76.6 | 8% | 0.078 | 38% | 0.383 | C | S | . | . | trans | -60 | 151.2 | 173.5 | -22.9 | 33.2 | 0 | 0 | 0 | 112.7 | R263 H619 I620 Q621 | R263-P617 HydrophobicContact CB-CG 4.16Å; R263-P617 WeakPolarHBondContact O-CG 3.47Å; P617-H619 VanDerWaalsContact C-N 3.34Å; P617-H619 VanDerWaalsContact CB-CE1 3.44Å; P617-H619 WeakPolarHBondContact CB-CE1 3.27Å; P617-H619 PolarHBondContact O-N 3.06Å; P617-I620 HydrophobicContact CB-CG1 4.26Å; P617-I620 HydrophobicContact CG-CG1 4.29Å; P617-I620 PolarHBondContact O-N 2.7Å; P617-Q621 PolarHBondContact O-N 3.23Å | ||
| 618 | R | 95.6 | Very high | 94.2 | Very high | 182 Ų | 182 | 77.4 Ų | 77.4 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.5 | -42.5 | -175.2 | -174.9 | 59.3 | 176.4 | 177.6 | -0.9 | 113.6 | I620 Q621 V622 | R618-I620 VanDerWaalsContact C-N 3.31Å; R618-I620 PolarHBondContact O-N 2.97Å; R618-Q621 PolarHBondContact O-N 3.45Å; R618-V622 WeakPolarHBondContact O-CG2 3.37Å; R618-V622 PolarHBondContact O-N 3.25Å |
| 619 | H | 95.4 | Very high | 94.2 | Very high | 95 Ų | 95 | 78.8 Ų | 78.8 | 44% | 0.44 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.6 | -34.5 | 179.4 | 64.1 | -88.4 | 0 | 0 | 0 | 112.2 | P617 K623 | P617-H619 VanDerWaalsContact C-N 3.34Å; P617-H619 VanDerWaalsContact CB-CE1 3.44Å; P617-H619 WeakPolarHBondContact CB-CE1 3.27Å; P617-H619 PolarHBondContact O-N 3.06Å; H619-K623 VanDerWaalsContact O-CG 3.32Å; H619-K623 WeakPolarHBondContact O-CG 3.08Å; H619-K623 PolarHBondContact O-N 3.37Å; H619-K623 VanDerWaalsContact O-N 3.13Å |
| 620 | I | 95.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.4 | -45.3 | 174.1 | -57 | -56.7 | 0 | 0 | 0 | 110.1 | Y270 L275 P617 R618 V622 K623 L624 | Y270-I620 HydrophobicContact CD1-CD1 3.71Å; Y270-I620 HydrophobicContact CD2-CD1 4.34Å; Y270-I620 HydrophobicContact CD2-CG2 4.07Å; Y270-I620 HydrophobicContact CE1-CD1 4.48Å; Y270-I620 HydrophobicContact CG-CD1 3.67Å; Y270-I620 HydrophobicContact CG-CG2 4.27Å; L275-I620 HydrophobicContact CD2-CG2 4.06Å; P617-I620 HydrophobicContact CB-CG1 4.26Å; P617-I620 HydrophobicContact CG-CG1 4.29Å; P617-I620 PolarHBondContact O-N 2.7Å; R618-I620 VanDerWaalsContact C-N 3.31Å; R618-I620 PolarHBondContact O-N 2.97Å; I620-V622 VanDerWaalsContact C-N 3.3Å; I620-V622 PolarHBondContact O-N 3.49Å; I620-K623 PolarHBondContact O-N 2.96Å; I620-K623 VanDerWaalsContact O-N 3.13Å; I620-L624 HydrophobicContact CG2-CD1 4.07Å; I620-L624 HydrophobicContact CG2-CG 4.17Å; I620-L624 WeakPolarHBondContact O-CG 3.33Å; I620-L624 PolarHBondContact O-N 3.26Å |
| 621 | Q | 95.1 | Very high | 94.3 | Very high | 61 Ų | 61 | 81.6 Ų | 81.6 | 29% | 0.285 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.4 | -44.7 | 176.2 | -67.9 | 177.9 | -4.7 | 0 | 0 | 112.1 | K616 P617 R618 L624 A625 | K616-Q621 HydrophobicContact CB-CG 3.88Å; K616-Q621 PolarHBondContact O-NE2 2.92Å; P617-Q621 PolarHBondContact O-N 3.23Å; R618-Q621 PolarHBondContact O-N 3.45Å; Q621-L624 PolarHBondContact O-N 3.13Å; Q621-A625 WeakPolarHBondContact O-CB 3.38Å; Q621-A625 PolarHBondContact O-N 2.99Å |
| 622 | V | 95.9 | Very high | 94.3 | Very high | 64 Ų | 64 | 76.9 Ų | 76.9 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | R618 I620 A625 R626 | R618-V622 WeakPolarHBondContact O-CG2 3.37Å; R618-V622 PolarHBondContact O-N 3.25Å; I620-V622 VanDerWaalsContact C-N 3.3Å; I620-V622 PolarHBondContact O-N 3.49Å; V622-A625 PolarHBondContact O-N 2.7Å; V622-R626 WeakPolarHBondContact O-CB 3.39Å; V622-R626 PolarHBondContact O-N 3.11Å |
| 623 | K | 94.8 | Very high | 94.2 | Very high | 88 Ų | 88 | 77.7 Ų | 77.7 | 38% | 0.383 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.7 | -72.8 | -179.4 | -178.8 | -167.2 | 0 | 112.1 | Y270 H619 I620 R626 L627 | Y270-K623 HydrophobicContact CE1-CD 3.59Å; Y270-K623 HydrophobicContact CE2-CB 3.95Å; Y270-K623 HydrophobicContact CE2-CD 4.37Å; Y270-K623 WeakPolarHBondContact OH-CD 3.26Å; H619-K623 VanDerWaalsContact O-CG 3.32Å; H619-K623 WeakPolarHBondContact O-CG 3.08Å; H619-K623 PolarHBondContact O-N 3.37Å; H619-K623 VanDerWaalsContact O-N 3.13Å; I620-K623 PolarHBondContact O-N 2.96Å; I620-K623 VanDerWaalsContact O-N 3.13Å; K623-R626 PolarHBondContact O-N 3.32Å; K623-L627 PolarHBondContact O-N 2.97Å; K623-L627 VanDerWaalsContact O-N 3.09Å |
| 624 | L | 93.7 | Very high | 94.2 | Very high | 39 Ų | 39 | 78.5 Ų | 78.5 | 20% | 0.204 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 175.1 | -66.3 | -180 | 0 | 0 | 0 | 111.6 | Y270 L275 L276 K616 I620 Q621 R626 L627 E628 | Y270-L624 HydrophobicContact CD2-CD2 4.25Å; Y270-L624 HydrophobicContact CE2-CD2 4.3Å; L275-L624 HydrophobicContact CD2-CD1 4.32Å; L275-L624 HydrophobicContact CD2-CD2 4.49Å; L276-L624 HydrophobicContact CD2-CD2 3.28Å; L276-L624 HydrophobicContact CG-CD2 4.26Å; K616-L624 HydrophobicContact CD-CD1 3.88Å; I620-L624 HydrophobicContact CG2-CD1 4.07Å; I620-L624 HydrophobicContact CG2-CG 4.17Å; I620-L624 WeakPolarHBondContact O-CG 3.33Å; I620-L624 PolarHBondContact O-N 3.26Å; Q621-L624 PolarHBondContact O-N 3.13Å; L624-R626 VanDerWaalsContact C-N 3.31Å; L624-R626 PolarHBondContact O-N 3.41Å; L624-L627 PolarHBondContact O-N 3.34Å; L624-E628 PolarHBondContact O-N 3.46Å |
| 625 | A | 94.1 | Very high | 94.2 | Very high | 56 Ų | 56 | 79.9 Ų | 79.9 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q621 V622 E628 F629 | Q621-A625 WeakPolarHBondContact O-CB 3.38Å; Q621-A625 PolarHBondContact O-N 2.99Å; V622-A625 PolarHBondContact O-N 2.7Å; A625-E628 PolarHBondContact O-N 3.33Å; A625-F629 WeakPolarHBondContact O-CB 3.38Å; A625-F629 PolarHBondContact O-N 2.79Å |
| 626 | R | 94.3 | Very high | 94.3 | Very high | 145 Ų | 145 | 81.6 Ų | 81.6 | 55% | 0.547 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 173.9 | -175.7 | -178.8 | -62.8 | 177.5 | -1.5 | 111.5 | V622 K623 L624 E628 F629 E630 | V622-R626 WeakPolarHBondContact O-CB 3.39Å; V622-R626 PolarHBondContact O-N 3.11Å; K623-R626 PolarHBondContact O-N 3.32Å; L624-R626 VanDerWaalsContact C-N 3.31Å; L624-R626 PolarHBondContact O-N 3.41Å; R626-E628 VanDerWaalsContact C-N 3.32Å; R626-E628 PolarHBondContact O-N 3.43Å; R626-F629 PolarHBondContact O-N 3.38Å; R626-E630 WeakPolarHBondContact CG-OE1 3.42Å; R626-E630 WeakPolarHBondContact O-CG 3.47Å; R626-E630 PolarHBondContact O-N 2.81Å |
| 627 | L | 92.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 82.1 Ų | 82.1 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 179.1 | -173.9 | 70.7 | 0 | 0 | 0 | 111.9 | L276 K623 L624 S631 | L276-L627 HydrophobicContact CD1-CD2 4.02Å; L276-L627 HydrophobicContact CD2-CD2 3.44Å; L276-L627 VanDerWaalsContact CD2-CD2 3.44Å; L276-L627 HydrophobicContact CG-CD2 4.28Å; K623-L627 PolarHBondContact O-N 2.97Å; K623-L627 VanDerWaalsContact O-N 3.09Å; L624-L627 PolarHBondContact O-N 3.34Å; L627-S631 WeakPolarHBondContact O-CB 3.48Å; L627-S631 PolarHBondContact O-N 2.82Å |
| 628 | E | 92.1 | Very high | 94.2 | Very high | 140 Ų | 140 | 87.2 Ų | 87.2 | 65% | 0.654 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.9 | -44.6 | 175.5 | -174 | 174.3 | -166.6 | 0 | 0 | 111.8 | L624 A625 R626 E630 S631 L632 | L624-E628 PolarHBondContact O-N 3.46Å; A625-E628 PolarHBondContact O-N 3.33Å; R626-E628 VanDerWaalsContact C-N 3.32Å; R626-E628 PolarHBondContact O-N 3.43Å; E628-E630 PolarHBondContact O-N 3.36Å; E628-S631 WeakPolarHBondContact O-CB 3.33Å; E628-S631 PolarHBondContact O-N 2.95Å; E628-L632 PolarHBondContact O-N 3.24Å |
| 629 | F | 95.3 | Very high | 94 | Very high | 135 Ų | 135 | 83.7 Ų | 83.7 | 59% | 0.592 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -57.6 | -48.9 | 175.4 | 175.2 | -94.6 | 0 | 0 | 0 | 111.9 | A625 R626 S631 L632 E633 | A625-F629 WeakPolarHBondContact O-CB 3.38Å; A625-F629 PolarHBondContact O-N 2.79Å; R626-F629 PolarHBondContact O-N 3.38Å; F629-S631 VanDerWaalsContact C-N 3.33Å; F629-S631 PolarHBondContact O-N 2.89Å; F629-L632 WeakPolarHBondContact O-CB 3.43Å; F629-L632 PolarHBondContact O-N 3.39Å; F629-L632 VanDerWaalsContact O-N 3.13Å; F629-E633 PolarHBondContact O-N 3.03Å |
| 630 | E | 93.9 | Very high | 93.8 | Very high | 49 Ų | 49 | 84.8 Ų | 84.8 | 23% | 0.229 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 178.2 | -71 | 173.8 | -169.1 | 0 | 0 | 112.3 | R98 R626 E628 L632 E633 A634 | R98-E630 IonicContact CZ-OE2 2.78Å; R98-E630 IonicContact NH1-OE2 3.19Å; R98-E630 PolarHBondContact NH1-OE2 3.43Å; R98-E630 IonicContact NH2-OE1 2.75Å; R98-E630 IonicContact NH2-OE2 3.79Å; R98-E630 PolarHBondContact NH2-OE2 2.74Å; R626-E630 WeakPolarHBondContact CG-OE1 3.42Å; R626-E630 WeakPolarHBondContact O-CG 3.47Å; R626-E630 PolarHBondContact O-N 2.81Å; E628-E630 PolarHBondContact O-N 3.36Å; E630-L632 VanDerWaalsContact C-N 3.29Å; E630-L632 PolarHBondContact O-N 3.31Å; E630-E633 PolarHBondContact O-N 2.93Å; E630-A634 WeakPolarHBondContact O-CB 3.4Å; E630-A634 PolarHBondContact O-N 3.1Å |
| 631 | S | 92.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 91 Ų | 91 | 57% | 0.573 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.8 | -38.3 | 174.4 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | L627 E628 F629 L635 | L627-S631 WeakPolarHBondContact O-CB 3.48Å; L627-S631 PolarHBondContact O-N 2.82Å; E628-S631 WeakPolarHBondContact O-CB 3.33Å; E628-S631 PolarHBondContact O-N 2.95Å; F629-S631 VanDerWaalsContact C-N 3.33Å; F629-S631 PolarHBondContact O-N 2.89Å; S631-L635 PolarHBondContact O-N 2.97Å; S631-L635 VanDerWaalsContact O-N 3.16Å |
| 632 | L | 93.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 92 Ų | 92 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73 | -40 | 179.7 | -156.5 | 162.2 | 0 | 0 | 0 | 110.8 | E628 F629 E630 L635 K636 | E628-L632 PolarHBondContact O-N 3.24Å; F629-L632 WeakPolarHBondContact O-CB 3.43Å; F629-L632 PolarHBondContact O-N 3.39Å; F629-L632 VanDerWaalsContact O-N 3.13Å; E630-L632 VanDerWaalsContact C-N 3.29Å; E630-L632 PolarHBondContact O-N 3.31Å; L632-L635 PolarHBondContact O-N 3.29Å; L632-K636 HydrophobicContact CD2-CD 3.81Å; L632-K636 HydrophobicContact CD2-CG 4.14Å; L632-K636 WeakPolarHBondContact O-CG 3.19Å; L632-K636 PolarHBondContact O-N 3.1Å |
| 633 | E | 95.1 | Very high | 93.1 | Very high | 86 Ų | 86 | 92.9 Ų | 92.9 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.6 | -172.2 | 174.1 | -166.3 | 0 | 0 | 112 | F629 E630 L635 K636 Q637 | F629-E633 PolarHBondContact O-N 3.03Å; E630-E633 PolarHBondContact O-N 2.93Å; E633-L635 VanDerWaalsContact C-N 3.31Å; E633-L635 PolarHBondContact O-N 3.46Å; E633-K636 WeakPolarHBondContact O-CB 3.5Å; E633-K636 PolarHBondContact O-N 3.21Å; E633-Q637 WeakPolarHBondContact O-CG 3.42Å; E633-Q637 PolarHBondContact O-N 3.44Å |
| 634 | A | 92.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 92 Ų | 92 | 45% | 0.446 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | E630 Q637 Q638 | E630-A634 WeakPolarHBondContact O-CB 3.4Å; E630-A634 PolarHBondContact O-N 3.1Å; A634-Q637 PolarHBondContact O-N 2.91Å; A634-Q638 PolarHBondContact O-N 3.35Å |
| 635 | L | 93.9 | Very high | 92.4 | Very high | 90 Ų | 90 | 95.4 Ų | 95.4 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 175.5 | -178.4 | 64.6 | 0 | 0 | 0 | 111.9 | S631 L632 E633 Q637 Q638 Q639 | S631-L635 PolarHBondContact O-N 2.97Å; S631-L635 VanDerWaalsContact O-N 3.16Å; L632-L635 PolarHBondContact O-N 3.29Å; E633-L635 VanDerWaalsContact C-N 3.31Å; E633-L635 PolarHBondContact O-N 3.46Å; L635-Q637 PolarHBondContact O-N 3.08Å; L635-Q638 PolarHBondContact O-N 3.42Å; L635-Q639 WeakPolarHBondContact O-CG 3.38Å; L635-Q639 PolarHBondContact O-N 2.98Å |
| 636 | K | 94 | Very high | 91.8 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 175.7 | -77.3 | 174.1 | 172.4 | 173.1 | 0 | 111.6 | L632 E633 Q638 Q639 M640 | L632-K636 HydrophobicContact CD2-CD 3.81Å; L632-K636 HydrophobicContact CD2-CG 4.14Å; L632-K636 WeakPolarHBondContact O-CG 3.19Å; L632-K636 PolarHBondContact O-N 3.1Å; E633-K636 WeakPolarHBondContact O-CB 3.5Å; E633-K636 PolarHBondContact O-N 3.21Å; K636-Q638 VanDerWaalsContact C-N 3.33Å; K636-Q638 PolarHBondContact O-N 3.23Å; K636-Q639 PolarHBondContact O-N 3.4Å; K636-M640 WeakPolarHBondContact O-CG 3.46Å; K636-M640 PolarHBondContact O-N 3.13Å |
| 637 | Q | 94.6 | Very high | 91.1 | Very high | 89 Ų | 89 | 96.1 Ų | 96.1 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.2 | -70.9 | -179 | 7.9 | 0 | 0 | 112.1 | E633 A634 L635 M640 K641 | E633-Q637 WeakPolarHBondContact O-CG 3.42Å; E633-Q637 PolarHBondContact O-N 3.44Å; A634-Q637 PolarHBondContact O-N 2.91Å; L635-Q637 PolarHBondContact O-N 3.08Å; Q637-M640 HydrophobicContact CG-CE 4.15Å; Q637-M640 PolarHBondContact O-N 3.07Å; Q637-K641 VanDerWaalsContact O-CG 3.3Å; Q637-K641 WeakPolarHBondContact O-CG 3.42Å; Q637-K641 PolarHBondContact O-N 3.33Å |
| 638 | Q | 94 | Very high | 90.3 | Very high | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 175.5 | -173.1 | 178.9 | -7 | 0 | 0 | 111.6 | A634 L635 K636 K641 L642 | A634-Q638 PolarHBondContact O-N 3.35Å; L635-Q638 PolarHBondContact O-N 3.42Å; K636-Q638 VanDerWaalsContact C-N 3.33Å; K636-Q638 PolarHBondContact O-N 3.23Å; Q638-K641 PolarHBondContact O-N 3.35Å; Q638-L642 HydrophobicContact CG-CD1 4.2Å; Q638-L642 WeakPolarHBondContact O-CG 3.21Å; Q638-L642 PolarHBondContact O-N 3.18Å |
| 639 | Q | 92.4 | Very high | 88.9 | Confident | 109 Ų | 109 | 102.5 Ų | 102.5 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.2 | -73.4 | 179.4 | -19.4 | 0 | 0 | 112.2 | L635 K636 K641 L642 V643 | L635-Q639 WeakPolarHBondContact O-CG 3.38Å; L635-Q639 PolarHBondContact O-N 2.98Å; K636-Q639 PolarHBondContact O-N 3.4Å; Q639-K641 VanDerWaalsContact C-N 3.31Å; Q639-K641 PolarHBondContact O-N 3.26Å; Q639-L642 PolarHBondContact O-N 3.34Å; Q639-V643 VanDerWaalsContact O-CG2 3.31Å; Q639-V643 WeakPolarHBondContact O-CG2 3.41Å; Q639-V643 PolarHBondContact O-N 3.06Å |
| 640 | M | 91.1 | Very high | 86.8 | Confident | 117 Ų | 117 | 103 Ų | 103 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -39.6 | 176.1 | -72.4 | -172 | -60.3 | 0 | 0 | 112.2 | K636 Q637 V643 T644 | K636-M640 WeakPolarHBondContact O-CG 3.46Å; K636-M640 PolarHBondContact O-N 3.13Å; Q637-M640 HydrophobicContact CG-CE 4.15Å; Q637-M640 PolarHBondContact O-N 3.07Å; M640-V643 PolarHBondContact O-N 3Å; M640-T644 WeakPolarHBondContact O-CB 3.22Å; M640-T644 PolarHBondContact O-N 3.47Å; M640-T644 PolarHBondContact O-OG1 2.87Å |
| 641 | K | 91.4 | Very high | 84.8 | Confident | 131 Ų | 131 | 105.4 Ų | 105.4 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | 175.2 | -74.4 | 174.1 | -176.4 | 178.8 | 0 | 111.6 | Q637 Q638 Q639 V643 T644 E645 | Q637-K641 VanDerWaalsContact O-CG 3.3Å; Q637-K641 WeakPolarHBondContact O-CG 3.42Å; Q637-K641 PolarHBondContact O-N 3.33Å; Q638-K641 PolarHBondContact O-N 3.35Å; Q639-K641 VanDerWaalsContact C-N 3.31Å; Q639-K641 PolarHBondContact O-N 3.26Å; K641-V643 VanDerWaalsContact C-N 3.35Å; K641-V643 PolarHBondContact O-N 3.29Å; K641-T644 CarbonylContact O-C 3.6Å; K641-T644 WeakPolarHBondContact O-CB 3.33Å; K641-T644 PolarHBondContact O-N 3.22Å; K641-T644 VanDerWaalsContact O-N 3.13Å; K641-E645 WeakPolarHBondContact O-CG 3.41Å; K641-E645 PolarHBondContact O-N 3.49Å |
| 642 | L | 89.8 | Confident | 82.9 | Confident | 82 Ų | 82 | 111.6 Ų | 111.6 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.6 | -42.7 | 177 | -74.7 | 164.2 | 0 | 0 | 0 | 112.3 | Q638 Q639 T644 E645 N646 | Q638-L642 HydrophobicContact CG-CD1 4.2Å; Q638-L642 WeakPolarHBondContact O-CG 3.21Å; Q638-L642 PolarHBondContact O-N 3.18Å; Q639-L642 PolarHBondContact O-N 3.34Å; L642-T644 VanDerWaalsContact C-N 3.34Å; L642-E645 PolarHBondContact O-N 3.35Å; L642-N646 WeakPolarHBondContact O-CB 3.47Å; L642-N646 PolarHBondContact O-N 3.09Å; L642-N646 PolarHBondContact O-OD1 3.41Å |
| 643 | V | 89.6 | Confident | 80.8 | Confident | 84 Ų | 84 | 116 Ų | 116 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.9 | -41.7 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111 | Q639 M640 K641 E645 N646 L647 | Q639-V643 VanDerWaalsContact O-CG2 3.31Å; Q639-V643 WeakPolarHBondContact O-CG2 3.41Å; Q639-V643 PolarHBondContact O-N 3.06Å; M640-V643 PolarHBondContact O-N 3Å; K641-V643 VanDerWaalsContact C-N 3.35Å; K641-V643 PolarHBondContact O-N 3.29Å; V643-E645 VanDerWaalsContact C-N 3.34Å; V643-E645 PolarHBondContact O-N 3.34Å; V643-N646 PolarHBondContact O-N 3.27Å; V643-L647 HydrophobicContact CG1-CD1 3.9Å; V643-L647 HydrophobicContact CG1-CG 4.4Å; V643-L647 WeakPolarHBondContact O-CB 3.42Å; V643-L647 VanDerWaalsContact O-CG 3.25Å; V643-L647 WeakPolarHBondContact O-CG 3.39Å; V643-L647 PolarHBondContact O-N 3.11Å |
| 644 | T | 87.9 | Confident | 78.5 | Confident | 70 Ų | 70 | 117.7 Ų | 117.7 | 43% | 0.429 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.8 | -35.5 | 177.8 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | M640 K641 L642 K648 | M640-T644 WeakPolarHBondContact O-CB 3.22Å; M640-T644 PolarHBondContact O-N 3.47Å; M640-T644 PolarHBondContact O-OG1 2.87Å; K641-T644 CarbonylContact O-C 3.6Å; K641-T644 WeakPolarHBondContact O-CB 3.33Å; K641-T644 PolarHBondContact O-N 3.22Å; K641-T644 VanDerWaalsContact O-N 3.13Å; L642-T644 VanDerWaalsContact C-N 3.34Å; T644-K648 WeakPolarHBondContact O-CG 3.39Å; T644-K648 PolarHBondContact O-N 3.46Å |
| 645 | E | 85.6 | Confident | 76.4 | Confident | 109 Ų | 109 | 118.4 Ų | 118.4 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.6 | -47.5 | 174.3 | -75.1 | 171.3 | 177.1 | 0 | 0 | 110.8 | K641 L642 V643 L647 K648 E649 | K641-E645 WeakPolarHBondContact O-CG 3.41Å; K641-E645 PolarHBondContact O-N 3.49Å; L642-E645 PolarHBondContact O-N 3.35Å; V643-E645 VanDerWaalsContact C-N 3.34Å; V643-E645 PolarHBondContact O-N 3.34Å; E645-L647 VanDerWaalsContact C-N 3.33Å; E645-L647 PolarHBondContact O-N 3.37Å; E645-K648 WeakPolarHBondContact O-CB 3.4Å; E645-K648 PolarHBondContact O-N 2.8Å; E645-E649 PolarHBondContact O-N 2.86Å |
| 646 | N | 82.3 | Confident | 74.4 | Confident | 99 Ų | 99 | 123.9 Ų | 123.9 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.3 | -40.1 | 175.9 | -69.1 | -10.2 | 0 | 0 | 0 | 112.4 | L642 V643 K648 E649 E650 | L642-N646 WeakPolarHBondContact O-CB 3.47Å; L642-N646 PolarHBondContact O-N 3.09Å; L642-N646 PolarHBondContact O-OD1 3.41Å; V643-N646 PolarHBondContact O-N 3.27Å; N646-K648 PolarHBondContact O-N 2.67Å; N646-E649 PolarHBondContact O-N 3.11Å; N646-E650 PolarHBondContact O-N 3.1Å |
| 647 | L | 79.4 | Confident | 72.2 | Confident | 117 Ų | 117 | 127.2 Ų | 127.2 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.3 | -19.8 | 175.3 | -73.2 | 170.2 | 0 | 0 | 0 | 113.5 | V643 E645 | V643-L647 HydrophobicContact CG1-CD1 3.9Å; V643-L647 HydrophobicContact CG1-CG 4.4Å; V643-L647 WeakPolarHBondContact O-CB 3.42Å; V643-L647 VanDerWaalsContact O-CG 3.25Å; V643-L647 WeakPolarHBondContact O-CG 3.39Å; V643-L647 PolarHBondContact O-N 3.11Å; E645-L647 VanDerWaalsContact C-N 3.33Å; E645-L647 PolarHBondContact O-N 3.37Å |
| 648 | K | 74.5 | Confident | 69.9 | Low | 169 Ų | 169 | 132.8 Ų | 132.8 | 74% | 0.735 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.1 | -23.3 | 174.3 | -76.8 | 174.7 | 179.8 | 178.8 | 0 | 112.8 | T644 E645 N646 | T644-K648 WeakPolarHBondContact O-CG 3.39Å; T644-K648 PolarHBondContact O-N 3.46Å; E645-K648 WeakPolarHBondContact O-CB 3.4Å; E645-K648 PolarHBondContact O-N 2.8Å; N646-K648 PolarHBondContact O-N 2.67Å |
| 649 | E | 63.3 | Low | 67.5 | Low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -86.7 | -14.4 | 178.6 | -72 | -173.4 | 171 | 0 | 0 | 113.6 | E645 N646 P651 | E645-E649 PolarHBondContact O-N 2.86Å; N646-E649 PolarHBondContact O-N 3.11Å; E649-P651 VanDerWaalsContact O-CD 3.28Å; E649-P651 WeakPolarHBondContact O-CD 3.42Å |
| 650 | E | 51.9 | Low | 65.3 | Low | 146 Ų | 146 | 137.1 Ų | 137.1 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -66.9 | 115.3 | 166.3 | -78.5 | -172.4 | 167.4 | 0 | 0 | 110.2 | N646 | N646-E650 PolarHBondContact O-N 3.1Š|
| 651 | P | 51.2 | Low | 64 | Low | 98 Ų | 98 | 138.2 Ų | 138.2 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -69.6 | 144 | 179.8 | 26.9 | -29.5 | 0 | 0 | 0 | 110.4 | E649 E653 | E649-P651 VanDerWaalsContact O-CD 3.28Å; E649-P651 WeakPolarHBondContact O-CD 3.42Å; P651-E653 PolarHBondContact O-N 2.88Å | ||
| 652 | K | 52.6 | Low | 62.5 | Low | 213 Ų | 213 | 138.5 Ų | 138.5 | 93% | 0.926 | 74% | 0.736 | S | S | * | * | trans | -59.8 | 76.5 | 162.1 | -71.3 | 178.3 | 174.4 | 178.4 | 0 | 110.1 | ||||
| 653 | E | 48.6 | Very low | 61 | Low | 178 Ų | 178 | 141.7 Ų | 141.7 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -101.1 | 21.6 | 173.2 | -103.2 | -171.7 | 176.1 | 0 | 0 | 113 | P651 | P651-E653 PolarHBondContact O-N 2.88Š| ||
| 654 | S | 48.6 | Very low | 59.3 | Low | 122 Ų | 122 | 145.1 Ų | 145.1 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -115 | 74 | 169.9 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 655 | G | 48.5 | Very low | 57.5 | Low | 70 Ų | 70 | 149.8 Ų | 149.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -175.9 | 24.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 656 | K | 50.4 | Low | 55.7 | Low | 205 Ų | 205 | 152.5 Ų | 152.5 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -148.4 | 82.5 | 162.8 | -81.2 | -166.9 | 179.1 | 176.6 | 0 | 110.9 | ||||
| 657 | E | 48.6 | Very low | 53.8 | Low | 188 Ų | 188 | 156.3 Ų | 156.3 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | -155.4 | 99.8 | 154.4 | -115.7 | 178.1 | -162 | 0 | 0 | 109.8 | ||||
| 658 | K | 45.7 | Very low | 51.8 | Low | 207 Ų | 207 | 159.3 Ų | 159.3 | 90% | 0.9 | 84% | 0.843 | S | S | * | * | trans | 166.8 | 96.5 | 131.5 | -90.3 | 175.2 | -177.6 | -176.3 | 0 | 110.8 | ||||
| 659 | A | 44.8 | Very low | 49.9 | Very low | 101 Ų | 101 | 158.5 Ų | 158.5 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | trans | -136.8 | 83.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 660 | T | 44.4 | Very low | 48.7 | Very low | 217 Ų | 217 | 158.6 Ų | 158.6 | 100% | 1.331 | 86% | 0.862 | S | S | * | * | trans | -162.2 | 0 | 145.9 | 28.8 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 660 of 660 residues in 463.4 ms
(Link to these results)