| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.6 | Very low | 39.2 | Very low | 221 Ų | 221 | 149.1 Ų | 149.1 | 100% | 1.089 | 76% | 0.761 | S | S | * | * | 0 | 127 | 0 | -152.5 | -178.2 | 177.2 | 0 | 0 | 106.4 | |||||
| 2 | F | 38.4 | Very low | 39.2 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | trans | 68 | 108.7 | -177.5 | -64.6 | -84.1 | 0 | 0 | 0 | 115.9 | ||||
| 3 | Q | 36 | Very low | 39.4 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | 100.7 | 121.8 | 53.5 | -92.9 | -161.6 | -38.3 | 0 | 0 | 112 | |||||
| 4 | L | 40.6 | Very low | 39.5 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | trans | 68.9 | 105 | 149.6 | -77.8 | 94.3 | 0 | 0 | 0 | 118.4 | ||||
| 5 | T | 40.1 | Very low | 39.7 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | 59.2 | 90.9 | 82.3 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 6 | C | 38.7 | Very low | 40 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -145.9 | 63 | 148.6 | -97 | 0 | 0 | 0 | 0 | 108.5 | F8 | C6-F8 PolarHBondContact O-N 3.2Š| ||
| 7 | V | 42.7 | Very low | 40.4 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | trans | -90.5 | 90 | 157 | -178 | 0 | 0 | 0 | 0 | 105.2 | H9 | V7-H9 WeakPolarHBondContact CG1-CD2 3.29Å; V7-H9 PolarHBondContact O-N 3.16Å | ||
| 8 | F | 41.1 | Very low | 41.2 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | -66.9 | 81.1 | 162.9 | -101.4 | -94 | 0 | 0 | 0 | 107.4 | C6 V10 | C6-F8 PolarHBondContact O-N 3.2Å; F8-V10 VanDerWaalsContact C-N 3.27Å; F8-V10 PolarHBondContact O-N 3.16Å | ||
| 9 | H | 38.8 | Very low | 43 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | trans | -68.6 | 97.4 | 155.6 | -89.2 | -63.5 | 0 | 0 | 0 | 106.6 | V7 F11 | V7-H9 WeakPolarHBondContact CG1-CD2 3.29Å; V7-H9 PolarHBondContact O-N 3.16Å; H9-F11 HydrophobicContact CB-CD2 3.98Å; H9-F11 HydrophobicContact CB-CE2 4.07Å; H9-F11 PolarHBondContact O-N 3.15Å | ||
| 10 | V | 41 | Very low | 45.1 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | -59 | 86.1 | 155.6 | 177.7 | 0 | 0 | 0 | 0 | 106.1 | F8 L12 | F8-V10 VanDerWaalsContact C-N 3.27Å; F8-V10 PolarHBondContact O-N 3.16Å; V10-L12 HydrophobicContact CG1-CD1 4.43Å; V10-L12 HydrophobicContact CG1-CG 4.32Å; V10-L12 PolarHBondContact O-N 2.63Å | ||
| 11 | F | 39.7 | Very low | 47.4 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | trans | -64.6 | 90.4 | 157.4 | -88.9 | -90.7 | 0 | 0 | 0 | 105.8 | H9 A13 | H9-F11 HydrophobicContact CB-CD2 3.98Å; H9-F11 HydrophobicContact CB-CE2 4.07Å; H9-F11 PolarHBondContact O-N 3.15Å; F11-A13 PolarHBondContact O-N 3Å | ||
| 12 | L | 38.9 | Very low | 50.4 | Low | 141 Ų | 141 | 125.4 Ų | 125.4 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -55.7 | 89 | 151.3 | -92.4 | 141.2 | 0 | 0 | 0 | 106.1 | V10 I14 | V10-L12 HydrophobicContact CG1-CD1 4.43Å; V10-L12 HydrophobicContact CG1-CG 4.32Å; V10-L12 PolarHBondContact O-N 2.63Å; L12-I14 PolarHBondContact O-N 3.17Å | ||
| 13 | A | 41.3 | Very low | 53.2 | Low | 86 Ų | 86 | 117.6 Ų | 117.6 | 71% | 0.711 | 64% | 0.635 | S | S | * | * | trans | -58.9 | 92 | 155.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | F11 S15 | F11-A13 PolarHBondContact O-N 3Å; A13-S15 PolarHBondContact O-N 3.47Å | ||
| 14 | I | 41 | Very low | 56.1 | Low | 124 Ų | 124 | 113.7 Ų | 113.7 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -63.3 | 85.7 | 158.4 | -59.9 | 170.1 | 0 | 0 | 0 | 103.6 | L12 F16 | L12-I14 PolarHBondContact O-N 3.17Å; I14-F16 HydrophobicContact CG2-CD2 4.15Å; I14-F16 HydrophobicContact CG2-CE2 4.27Å; I14-F16 PolarHBondContact O-N 3.45Å | ||
| 15 | S | 43.1 | Very low | 58.9 | Low | 90 Ų | 90 | 107.6 Ų | 107.6 | 63% | 0.629 | 58% | 0.582 | S | S | * | * | trans | -54.2 | 98.5 | 153.4 | 45.5 | 0 | 0 | 0 | 0 | 104.7 | A13 I17 | A13-S15 PolarHBondContact O-N 3.47Å; S15-I17 PolarHBondContact O-N 3.04Å | ||
| 16 | F | 44.7 | Very low | 61.7 | Low | 165 Ų | 165 | 102 Ų | 102 | 72% | 0.724 | 55% | 0.547 | S | S | * | . | trans | -57 | 88.4 | 159.8 | -84.3 | -92.8 | 0 | 0 | 0 | 105.7 | I14 H18 | I14-F16 HydrophobicContact CG2-CD2 4.15Å; I14-F16 HydrophobicContact CG2-CE2 4.27Å; I14-F16 PolarHBondContact O-N 3.45Å; F16-H18 PolarHBondContact O-N 3.31Å; F16-H18 PolarHBondContact O-ND1 3.4Å | ||
| 17 | I | 46.6 | Very low | 64.5 | Low | 147 Ų | 147 | 96.4 Ų | 96.4 | 75% | 0.754 | 51% | 0.51 | S | S | * | . | trans | -58.1 | 99.2 | 161 | -61.6 | 170.3 | 0 | 0 | 0 | 102.9 | S15 S19 | S15-I17 PolarHBondContact O-N 3.04Å; I17-S19 PolarHBondContact O-N 3.27Å | ||
| 18 | H | 54.4 | Low | 67 | Low | 153 Ų | 153 | 92.2 Ų | 92.2 | 71% | 0.708 | 48% | 0.484 | S | S | * | . | trans | -63.7 | 97.5 | 169.7 | -82.2 | 64.5 | 0 | 0 | 0 | 105.2 | F16 Q20 | F16-H18 PolarHBondContact O-N 3.31Å; F16-H18 PolarHBondContact O-ND1 3.4Å; H18-Q20 PolarHBondContact O-N 2.97Å; H18-Q20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | S | 74.8 | Confident | 69.4 | Low | 107 Ų | 107 | 84.3 Ų | 84.3 | 75% | 0.748 | 45% | 0.452 | S | S | * | . | trans | -66 | 110.7 | 172.8 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | I17 | I17-S19 PolarHBondContact O-N 3.27Š| ||
| 20 | Q | 86.5 | Confident | 72 | Confident | 71 Ų | 71 | 79.7 Ų | 79.7 | 33% | 0.332 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 137.4 | 170.7 | -67.7 | 168.2 | -25.8 | 0 | 0 | 109 | H18 T22 S50 N54 | H18-Q20 PolarHBondContact O-N 2.97Å; H18-Q20 VanDerWaalsContact O-N 3.12Å; Q20-T22 PolarHBondContact O-N 3.34Å; Q20-S50 WeakPolarHBondContact CG-O 3.46Å; Q20-S50 PolarHBondContact NE2-O 3.12Å; Q20-N54 HydrophobicContact CB-CB 4.17Å |
| 21 | T | 93.5 | Very high | 74.6 | Confident | 64 Ų | 64 | 75.8 Ų | 75.8 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.6 | 169.5 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | K52 Y53 N54 V310 | T21-K52 PolarHBondContact N-O 3.33Å; T21-Y53 CarbonylContact O-C 3.59Å; T21-Y53 VanDerWaalsContact O-CA 3.28Å; T21-Y53 WeakPolarHBondContact O-CA 3.28Å; T21-N54 PolarHBondContact O-N 3.17Å; T21-V310 HydrophobicContact CG2-CG1 3.55Å |
| 22 | T | 95.9 | Very high | 77.2 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.1 | 177 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | Q20 R24 N54 T56 | Q20-T22 PolarHBondContact O-N 3.34Å; T22-R24 HydrophobicContact CG2-CG 4.33Å; T22-N54 CarbonylContact C-O 3.29Å; T22-N54 VanDerWaalsContact CA-O 3.32Å; T22-N54 WeakPolarHBondContact CA-O 3.4Å; T22-T56 HydrophobicContact CG2-CG2 3.71Å; T22-T56 WeakPolarHBondContact CG2-OG1 3.32Å |
| 23 | V | 97.6 | Very high | 80 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.7 | 171.5 | -179 | 0 | 0 | 0 | 0 | 107.8 | Y53 N54 T56 L77 Y311 F314 | V23-Y53 HydrophobicContact CG2-CD1 4.09Å; V23-N54 PolarHBondContact N-O 2.79Å; V23-T56 PolarHBondContact O-N 3.36Å; V23-T56 PolarHBondContact O-OG1 3.11Å; V23-T56 VanDerWaalsContact O-OG1 3.09Å; V23-L77 HydrophobicContact CG1-CD1 3.75Å; V23-L77 HydrophobicContact CG1-CG 4.35Å; V23-Y311 HydrophobicContact CG1-CD1 4.31Å; V23-Y311 HydrophobicContact CG1-CE1 4.47Å; V23-Y311 HydrophobicContact CG2-CD1 4.28Å; V23-Y311 HydrophobicContact CG2-CE1 4.43Å; V23-F314 HydrophobicContact CB-CD1 4.41Å; V23-F314 HydrophobicContact CB-CE1 4.31Å; V23-F314 HydrophobicContact CB-CZ 4.44Å; V23-F314 HydrophobicContact CG1-CD1 3.96Å; V23-F314 HydrophobicContact CG1-CE1 3.86Å; V23-F314 HydrophobicContact CG1-CZ 4.44Å; V23-F314 HydrophobicContact CG2-CB 4.43Å; V23-F314 HydrophobicContact CG2-CD1 4.2Å; V23-F314 HydrophobicContact CG2-CD2 4.21Å; V23-F314 HydrophobicContact CG2-CG 4.02Å |
| 24 | R | 98.1 | Very high | 82.6 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 26% | 0.26 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 104.8 | -179.6 | -61.5 | 166.8 | -61.6 | 169.3 | 3.1 | 110 | T22 T56 I58 K73 Q74 D76 L77 | T22-R24 HydrophobicContact CG2-CG 4.33Å; R24-T56 CarbonylContact C-O 3.35Å; R24-T56 WeakPolarHBondContact CA-O 3.42Å; R24-T56 WeakPolarHBondContact CA-OG1 3.44Å; R24-T56 WeakPolarHBondContact CG-OG1 3.33Å; R24-I58 HydrophobicContact CB-CD1 3.75Å; R24-I58 HydrophobicContact CB-CG1 4.42Å; R24-I58 HydrophobicContact CG-CD1 4.11Å; R24-K73 PolarHBondContact NH1-O 3.37Å; R24-K73 PolarHBondContact NH2-O 3.21Å; R24-Q74 WeakPolarHBondContact CD-O 3.24Å; R24-Q74 VanDerWaalsContact NH1-C 3.29Å; R24-Q74 PolarHBondContact NH1-O 3.19Å; R24-D76 HydrophobicContact CB-CB 4.35Å; R24-D76 WeakPolarHBondContact CB-OD2 3.23Å; R24-D76 WeakPolarHBondContact CG-OD2 3.41Å; R24-D76 IonicContact CZ-OD1 3.08Å; R24-D76 IonicContact CZ-OD2 3.83Å; R24-D76 PolarHBondContact N-OD2 2.89Å; R24-D76 IonicContact NE-OD1 3.13Å; R24-D76 PolarHBondContact NE-OD1 3.41Å; R24-D76 IonicContact NE-OD2 2.78Å; R24-D76 PolarHBondContact NE-OD2 3.09Å; R24-D76 IonicContact NH2-OD1 3.86Å; R24-D76 PolarHBondContact NH2-OD1 3.2Å; R24-D76 IonicContact NH2-OD2 2.99Å; R24-D76 WeakPolarHBondContact O-CA 3.45Å; R24-D76 WeakPolarHBondContact O-CB 3.32Å; R24-D76 PolarHBondContact O-N 2.95Å; R24-L77 PolarHBondContact O-N 3.01Å; R24-L77 VanDerWaalsContact O-N 3.15Å |
| 25 | W | 98.6 | Very high | 85.3 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 127.6 | 174.4 | -172.8 | -87 | 0 | 0 | 0 | 110.2 | E32 L55 T56 I58 L77 N79 I299 M353 F354 | W25-E32 PolarHBondContact NE1-OE1 3.19Å; W25-L55 HydrophobicContact CB-CD1 3.89Å; W25-T56 PolarHBondContact N-O 3.25Å; W25-I58 PolarHBondContact O-N 2.69Å; W25-L77 HydrophobicContact CE3-CB 3.73Å; W25-L77 HydrophobicContact CE3-CD1 4.41Å; W25-L77 HydrophobicContact CZ3-CB 3.93Å; W25-L77 HydrophobicContact CZ3-CD1 4.43Å; W25-N79 HydrophobicContact CH2-CB 4.1Å; W25-N79 HydrophobicContact CZ2-CB 4.01Å; W25-I299 HydrophobicContact CZ3-CG2 4.43Å; W25-M353 HydrophobicContact CD2-CE 3.64Å; W25-M353 HydrophobicContact CE3-CE 4.29Å; W25-M353 HydrophobicContact CG-CE 3.73Å; W25-M353 HydrophobicContact CZ2-CB 3.89Å; W25-M353 HydrophobicContact CZ2-CE 4.21Å; W25-F354 AromaticContact CH2-CE1 3.84Å; W25-F354 HydrophobicContact CH2-CE1 3.84Å; W25-F354 HydrophobicContact CH2-CE2 4.29Å; W25-F354 AromaticContact CH2-CZ 3.59Å; W25-F354 HydrophobicContact CH2-CZ 3.59Å; W25-F354 HydrophobicContact CZ2-CZ 4.32Å; W25-F354 HydrophobicContact CZ3-CZ 4.06Å |
| 26 | C | 98.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.4 | 174 | -157.4 | 0 | 0 | 0 | 0 | 110.3 | I58 C66 A75 L77 M78 | C26-I58 CarbonylContact C-O 3.48Å; C26-I58 VanDerWaalsContact CA-O 3.32Å; C26-I58 WeakPolarHBondContact CA-O 3.06Å; C26-C66 HydrophobicContact CB-CB 3.7Å; C26-C66 WeakPolarHBondContact CB-SG 3.44Å; C26-C66 WeakPolarHBondContact SG-CA 3.42Å; C26-C66 WeakPolarHBondContact SG-CB 3.47Å; C26-C66 CovalentContact SG-SG 2.04Å; C26-C66 PolarHBondContact SG-SG 3.24Å; C26-A75 HydrophobicContact CB-CB 3.87Å; C26-L77 PolarHBondContact N-O 3.09Å; C26-M78 HydrophobicContact CB-CB 4.36Å |
| 27 | S | 97.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.6 | 177.6 | -49.9 | 0 | 0 | 0 | 0 | 109.1 | I58 G60 | S27-I58 PolarHBondContact N-O 2.68Å; S27-G60 PolarHBondContact O-N 3.12Å |
| 28 | V | 94.5 | Very high | 92.9 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -97.9 | -3.2 | -175.6 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | E32 E63 C66 M78 | V28-E32 WeakPolarHBondContact CG2-OE2 3.39Å; V28-E32 PolarHBondContact N-OE2 2.82Å; V28-E63 HydrophobicContact CG1-CG 4.12Å; V28-C66 HydrophobicContact CG1-CB 4.24Å; V28-M78 HydrophobicContact CG1-CE 4.08Å |
| 29 | S | 92.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -145.2 | 158.1 | 174.5 | 71.3 | 0 | 0 | 0 | 0 | 112 | E31 E32 E33 L59 | S29-E31 VanDerWaalsContact C-N 3.28Å; S29-E31 PolarHBondContact O-N 3.14Å; S29-E32 PolarHBondContact O-N 3.48Å; S29-E32 VanDerWaalsContact O-N 3.16Å; S29-E32 PolarHBondContact OG-N 3.49Å; S29-E33 PolarHBondContact O-N 2.96Å; S29-L59 WeakPolarHBondContact O-CD1 3.48Å |
| 30 | P | 93.4 | Very high | 96 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.2 | -38.7 | 173.2 | -26.1 | 36.2 | 0 | 0 | 0 | 113.3 | E32 E33 I34 T342 | P30-E32 VanDerWaalsContact C-N 3.32Å; P30-E32 PolarHBondContact O-N 3.33Å; P30-E33 PolarHBondContact O-N 3.17Å; P30-I34 WeakPolarHBondContact O-CG1 3.4Å; P30-I34 PolarHBondContact O-N 3.03Å; P30-T342 HydrophobicContact CB-CG2 3.87Å |
| 31 | E | 93.8 | Very high | 96.6 | Very high | 31 Ų | 31 | 36 Ų | 36 | 15% | 0.145 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 176 | -69 | 73.7 | -160.6 | 0 | 0 | 111.6 | S29 I34 K35 Y340 T342 T349 L352 | S29-E31 VanDerWaalsContact C-N 3.28Å; S29-E31 PolarHBondContact O-N 3.14Å; E31-I34 PolarHBondContact O-N 3.42Å; E31-K35 PolarHBondContact O-N 3.22Å; E31-K35 VanDerWaalsContact O-N 3.12Å; E31-Y340 VanDerWaalsContact CB-O 3.32Å; E31-Y340 WeakPolarHBondContact CB-O 3.28Å; E31-Y340 VanDerWaalsContact CG-O 3.31Å; E31-Y340 WeakPolarHBondContact CG-O 3.39Å; E31-T342 HydrophobicContact CG-CG2 4.13Å; E31-T342 WeakPolarHBondContact OE1-CB 3.39Å; E31-T342 WeakPolarHBondContact OE1-CG2 3.2Å; E31-T342 PolarHBondContact OE1-OG1 2.91Å; E31-T349 HydrophobicContact CB-CG2 4.49Å; E31-T349 HydrophobicContact CG-CG2 4.04Å; E31-L352 HydrophobicContact CB-CD1 4.04Å; E31-L352 HydrophobicContact CB-CD2 3.81Å |
| 32 | E | 95.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.056 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.5 | -40 | 176.6 | -173.7 | -179 | 176.7 | 0 | 0 | 111.4 | W25 V28 S29 P30 I34 K35 C36 L352 M353 | W25-E32 PolarHBondContact NE1-OE1 3.19Å; V28-E32 WeakPolarHBondContact CG2-OE2 3.39Å; V28-E32 PolarHBondContact N-OE2 2.82Å; S29-E32 PolarHBondContact O-N 3.48Å; S29-E32 VanDerWaalsContact O-N 3.16Å; S29-E32 PolarHBondContact OG-N 3.49Å; P30-E32 VanDerWaalsContact C-N 3.32Å; P30-E32 PolarHBondContact O-N 3.33Å; E32-I34 VanDerWaalsContact C-N 3.32Å; E32-I34 PolarHBondContact O-N 3.49Å; E32-K35 PolarHBondContact O-N 3.02Å; E32-C36 WeakPolarHBondContact O-CB 3.42Å; E32-C36 PolarHBondContact O-N 2.81Å; E32-L352 HydrophobicContact CB-CB 4.43Å; E32-L352 HydrophobicContact CB-CD2 4.03Å; E32-L352 HydrophobicContact CG-CB 4.46Å; E32-M353 HydrophobicContact CG-CB 4.46Å; E32-M353 HydrophobicContact CG-CG 3.6Å; E32-M353 WeakPolarHBondContact OE1-CA 3.4Å; E32-M353 WeakPolarHBondContact OE1-CG 3.47Å; E32-M353 PolarHBondContact OE1-N 2.92Å |
| 33 | E | 96.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 30.1 Ų | 30.1 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.5 | -177.3 | -176.8 | -144.6 | 0 | 0 | 111.2 | S29 P30 K35 C36 N37 L59 | S29-E33 PolarHBondContact O-N 2.96Å; P30-E33 PolarHBondContact O-N 3.17Å; E33-K35 VanDerWaalsContact C-N 3.35Å; E33-K35 PolarHBondContact O-N 2.6Å; E33-C36 PolarHBondContact O-N 2.98Å; E33-N37 WeakPolarHBondContact CG-ND2 3.45Å; E33-N37 WeakPolarHBondContact O-CB 3.18Å; E33-N37 PolarHBondContact O-N 3.02Å; E33-N37 PolarHBondContact O-ND2 2.89Å; E33-L59 HydrophobicContact CB-CD1 4.3Å |
| 34 | I | 96.2 | Very high | 96.7 | Very high | 71 Ų | 71 | 34 Ų | 34 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 174.5 | -65.9 | 165.8 | 0 | 0 | 0 | 110.3 | P30 E31 E32 N37 R38 Y340 T342 | P30-I34 WeakPolarHBondContact O-CG1 3.4Å; P30-I34 PolarHBondContact O-N 3.03Å; E31-I34 PolarHBondContact O-N 3.42Å; E32-I34 VanDerWaalsContact C-N 3.32Å; E32-I34 PolarHBondContact O-N 3.49Å; I34-N37 PolarHBondContact O-N 3.42Å; I34-R38 WeakPolarHBondContact O-CB 3.28Å; I34-R38 PolarHBondContact O-N 3.01Å; I34-Y340 HydrophobicContact CG2-CD1 4.13Å; I34-T342 HydrophobicContact CD1-CG2 3.98Å |
| 35 | K | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.9 | -178.1 | 176.7 | 176.3 | 179.9 | 0 | 111.7 | E31 E32 E33 R38 L39 F332 L334 S336 Y340 L352 M353 | E31-K35 PolarHBondContact O-N 3.22Å; E31-K35 VanDerWaalsContact O-N 3.12Å; E32-K35 PolarHBondContact O-N 3.02Å; E33-K35 VanDerWaalsContact C-N 3.35Å; E33-K35 PolarHBondContact O-N 2.6Å; K35-R38 WeakPolarHBondContact O-CB 3.02Å; K35-R38 PolarHBondContact O-N 3.19Å; K35-L39 PolarHBondContact O-N 2.61Å; K35-F332 HydrophobicContact CG-CZ 3.96Å; K35-L334 WeakPolarHBondContact CE-O 3.41Å; K35-L334 PolarHBondContact NZ-O 3.08Å; K35-S336 VanDerWaalsContact CE-O 3.27Å; K35-S336 WeakPolarHBondContact CE-O 3.34Å; K35-S336 PolarHBondContact NZ-O 3.35Å; K35-Y340 HydrophobicContact CB-CD1 3.86Å; K35-Y340 HydrophobicContact CB-CD2 3.96Å; K35-Y340 HydrophobicContact CB-CE1 4.11Å; K35-Y340 HydrophobicContact CB-CE2 4.22Å; K35-Y340 HydrophobicContact CB-CG 3.78Å; K35-Y340 HydrophobicContact CD-CD2 3.94Å; K35-Y340 HydrophobicContact CD-CE2 3.89Å; K35-Y340 HydrophobicContact CG-CD1 4.35Å; K35-Y340 HydrophobicContact CG-CD2 3.93Å; K35-Y340 HydrophobicContact CG-CE1 4.17Å; K35-Y340 HydrophobicContact CG-CE2 3.73Å; K35-Y340 HydrophobicContact CG-CG 4.24Å; K35-L352 HydrophobicContact CB-CB 4.41Å; K35-L352 HydrophobicContact CB-CD1 4.36Å; K35-L352 HydrophobicContact CD-CB 3.52Å; K35-L352 HydrophobicContact CD-CD1 4.34Å; K35-L352 WeakPolarHBondContact CD-O 3.44Å; K35-L352 WeakPolarHBondContact CE-O 3.45Å; K35-L352 PolarHBondContact NZ-O 2.9Å; K35-M353 HydrophobicContact CD-CG 4.42Å; K35-M353 HydrophobicContact CD-SD 4.45Å; K35-M353 HydrophobicContact CG-SD 4.18Å |
| 36 | C | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | E32 E33 R38 L39 S40 C57 M353 | E32-C36 WeakPolarHBondContact O-CB 3.42Å; E32-C36 PolarHBondContact O-N 2.81Å; E33-C36 PolarHBondContact O-N 2.98Å; C36-R38 VanDerWaalsContact C-N 3.29Å; C36-R38 PolarHBondContact O-N 2.91Å; C36-L39 CarbonylContact O-C 3.42Å; C36-L39 WeakPolarHBondContact O-CB 3.31Å; C36-L39 PolarHBondContact O-N 3.49Å; C36-L39 VanDerWaalsContact O-N 3.12Å; C36-S40 PolarHBondContact O-N 2.89Å; C36-C57 HydrophobicContact CB-CB 3.78Å; C36-C57 WeakPolarHBondContact CB-SG 3.18Å; C36-C57 PolarHBondContact O-SG 3.22Å; C36-C57 VanDerWaalsContact O-SG 3.33Å; C36-C57 WeakPolarHBondContact SG-CB 3.48Å; C36-C57 CovalentContact SG-SG 2.03Å; C36-C57 PolarHBondContact SG-SG 3Å; C36-M353 HydrophobicContact CB-CE 4.19Å; C36-M353 HydrophobicContact CB-SD 3.92Å |
| 37 | N | 98.1 | Very high | 96.1 | Very high | 77 Ų | 77 | 39 Ų | 39 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 177.4 | -78.3 | -37.4 | 0 | 0 | 0 | 111.6 | E33 I34 S40 S41 C57 | E33-N37 WeakPolarHBondContact CG-ND2 3.45Å; E33-N37 WeakPolarHBondContact O-CB 3.18Å; E33-N37 PolarHBondContact O-N 3.02Å; E33-N37 PolarHBondContact O-ND2 2.89Å; I34-N37 PolarHBondContact O-N 3.42Å; N37-S40 PolarHBondContact O-N 3.4Å; N37-S41 PolarHBondContact O-N 3.39Å; N37-C57 PolarHBondContact N-SG 3.26Å; N37-C57 VanDerWaalsContact N-SG 3.38Å |
| 38 | R | 97.7 | Very high | 95.9 | Very high | 128 Ų | 128 | 42.8 Ų | 42.8 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 171.9 | -177.1 | 60 | 177.8 | 172.2 | 1.8 | 111.5 | I34 K35 C36 S40 S41 V42 F332 Y340 | I34-R38 WeakPolarHBondContact O-CB 3.28Å; I34-R38 PolarHBondContact O-N 3.01Å; K35-R38 WeakPolarHBondContact O-CB 3.02Å; K35-R38 PolarHBondContact O-N 3.19Å; C36-R38 VanDerWaalsContact C-N 3.29Å; C36-R38 PolarHBondContact O-N 2.91Å; R38-S40 VanDerWaalsContact C-N 3.35Å; R38-S41 PolarHBondContact O-N 3.05Å; R38-V42 WeakPolarHBondContact O-CG2 3.32Å; R38-V42 PolarHBondContact O-N 3.08Å; R38-F332 HydrophobicContact CB-CE2 4.1Å; R38-F332 HydrophobicContact CG-CD2 3.97Å; R38-F332 HydrophobicContact CG-CE2 3.79Å; R38-Y340 HydrophobicContact CB-CE1 4.02Å; R38-Y340 HydrophobicContact CG-CE1 4.12Å |
| 39 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.5 | 176.7 | 58.6 | 0 | 0 | 0 | 111.3 | K35 C36 S41 V42 I43 L55 L318 F322 F332 L334 M353 | K35-L39 PolarHBondContact O-N 2.61Å; C36-L39 CarbonylContact O-C 3.42Å; C36-L39 WeakPolarHBondContact O-CB 3.31Å; C36-L39 PolarHBondContact O-N 3.49Å; C36-L39 VanDerWaalsContact O-N 3.12Å; L39-S41 VanDerWaalsContact C-N 3.33Å; L39-S41 PolarHBondContact O-N 3.37Å; L39-V42 PolarHBondContact O-N 3.47Å; L39-V42 VanDerWaalsContact O-N 3.14Å; L39-I43 HydrophobicContact CD1-CD1 4.02Å; L39-I43 HydrophobicContact CD1-CG1 4.06Å; L39-I43 HydrophobicContact CD2-CD1 4.46Å; L39-I43 HydrophobicContact CG-CD1 3.8Å; L39-I43 HydrophobicContact CG-CG1 4.32Å; L39-I43 VanDerWaalsContact O-CG1 3.31Å; L39-I43 WeakPolarHBondContact O-CG1 3.17Å; L39-I43 PolarHBondContact O-N 3.37Å; L39-L55 HydrophobicContact CB-CD2 4.14Å; L39-L55 HydrophobicContact CD2-CD2 3.71Å; L39-L55 HydrophobicContact CG-CD2 3.72Å; L39-L318 HydrophobicContact CD1-CD2 4.23Å; L39-L318 HydrophobicContact CD2-CD1 4.24Å; L39-L318 HydrophobicContact CD2-CD2 4.39Å; L39-F322 HydrophobicContact CD1-CD2 3.75Å; L39-F322 HydrophobicContact CD1-CE2 3.82Å; L39-F332 HydrophobicContact CB-CE1 3.93Å; L39-F332 HydrophobicContact CB-CE2 4.1Å; L39-F332 HydrophobicContact CB-CZ 3.65Å; L39-F332 HydrophobicContact CD1-CD1 3.74Å; L39-F332 HydrophobicContact CD1-CE1 3.67Å; L39-F332 HydrophobicContact CD1-CG 4.39Å; L39-F332 HydrophobicContact CD1-CZ 4.27Å; L39-F332 HydrophobicContact CD2-CE1 4.42Å; L39-F332 HydrophobicContact CG-CE1 4.19Å; L39-F332 HydrophobicContact CG-CZ 4.42Å; L39-L334 HydrophobicContact CD2-CD1 4.08Å; L39-M353 HydrophobicContact CD2-CE 3.93Å; L39-M353 HydrophobicContact CD2-SD 4.28Å |
| 40 | S | 97.9 | Very high | 96 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57 | -45.8 | 176.4 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | C36 N37 R38 V42 I43 Q44 L55 | C36-S40 PolarHBondContact O-N 2.89Å; N37-S40 PolarHBondContact O-N 3.4Å; R38-S40 VanDerWaalsContact C-N 3.35Å; S40-V42 PolarHBondContact O-N 3.12Å; S40-I43 PolarHBondContact O-N 2.88Å; S40-Q44 WeakPolarHBondContact O-CG 3.49Å; S40-Q44 PolarHBondContact O-N 3.3Å; S40-Q44 VanDerWaalsContact O-N 3.12Å; S40-L55 WeakPolarHBondContact CB-O 3.49Å; S40-L55 PolarHBondContact OG-O 3.47Å |
| 41 | S | 97.4 | Very high | 96 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 46% | 0.462 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | N37 R38 L39 Q44 S45 | N37-S41 PolarHBondContact O-N 3.39Å; R38-S41 PolarHBondContact O-N 3.05Å; L39-S41 VanDerWaalsContact C-N 3.33Å; L39-S41 PolarHBondContact O-N 3.37Å; S41-Q44 PolarHBondContact O-N 3Å; S41-S45 PolarHBondContact O-N 3.28Å |
| 42 | V | 97.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.3 | -39.1 | 179.4 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | R38 L39 S40 Q44 S45 T46 F322 A331 F332 | R38-V42 WeakPolarHBondContact O-CG2 3.32Å; R38-V42 PolarHBondContact O-N 3.08Å; L39-V42 PolarHBondContact O-N 3.47Å; L39-V42 VanDerWaalsContact O-N 3.14Å; S40-V42 PolarHBondContact O-N 3.12Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 3.47Å; V42-S45 CarbonylContact O-C 3.18Å; V42-S45 WeakPolarHBondContact O-CA 3.32Å; V42-S45 PolarHBondContact O-N 3.18Å; V42-S45 PolarHBondContact O-OG 3.31Å; V42-T46 PolarHBondContact O-N 3.17Å; V42-T46 PolarHBondContact O-OG1 3.16Å; V42-F322 HydrophobicContact CB-CZ 4.5Å; V42-F322 HydrophobicContact CG1-CD1 4.38Å; V42-F322 HydrophobicContact CG1-CE1 3.44Å; V42-F322 VanDerWaalsContact CG1-CE1 3.44Å; V42-F322 HydrophobicContact CG1-CZ 3.66Å; V42-A331 HydrophobicContact CG1-CB 4.16Å; V42-F332 HydrophobicContact CB-CB 4.33Å; V42-F332 HydrophobicContact CG1-CB 4.02Å; V42-F332 HydrophobicContact CG2-CB 4.21Å; V42-F332 HydrophobicContact CG2-CD2 4.36Å |
| 43 | I | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.2 | -46.3 | 173.6 | -74.9 | 166.6 | 0 | 0 | 0 | 110.9 | L39 S40 S45 T46 I49 S50 L55 F314 L318 F322 | L39-I43 HydrophobicContact CD1-CD1 4.02Å; L39-I43 HydrophobicContact CD1-CG1 4.06Å; L39-I43 HydrophobicContact CD2-CD1 4.46Å; L39-I43 HydrophobicContact CG-CD1 3.8Å; L39-I43 HydrophobicContact CG-CG1 4.32Å; L39-I43 VanDerWaalsContact O-CG1 3.31Å; L39-I43 WeakPolarHBondContact O-CG1 3.17Å; L39-I43 PolarHBondContact O-N 3.37Å; S40-I43 PolarHBondContact O-N 2.88Å; I43-S45 PolarHBondContact O-N 2.99Å; I43-T46 PolarHBondContact O-N 3.12Å; I43-I49 HydrophobicContact CG1-CD1 4.46Å; I43-I49 HydrophobicContact CG1-CG2 4.33Å; I43-I49 HydrophobicContact CG2-CB 4.17Å; I43-I49 HydrophobicContact CG2-CG2 3.68Å; I43-S50 VanDerWaalsContact O-CB 3.32Å; I43-S50 WeakPolarHBondContact O-CB 3.32Å; I43-L55 HydrophobicContact CD1-CB 3.69Å; I43-L55 HydrophobicContact CD1-CD2 3.7Å; I43-L55 HydrophobicContact CD1-CG 4.34Å; I43-F314 HydrophobicContact CD1-CE2 4.16Å; I43-F314 HydrophobicContact CD1-CZ 4.23Å; I43-L318 HydrophobicContact CD1-CD2 3.79Å; I43-L318 HydrophobicContact CG1-CD2 4.2Å; I43-F322 HydrophobicContact CG1-CE2 4Å |
| 44 | Q | 95.6 | Very high | 96.1 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -27.4 | 178.6 | -67.9 | -60.4 | -20.9 | 0 | 0 | 113 | S40 S41 V42 N54 | S40-Q44 WeakPolarHBondContact O-CG 3.49Å; S40-Q44 PolarHBondContact O-N 3.3Å; S40-Q44 VanDerWaalsContact O-N 3.12Å; S41-Q44 PolarHBondContact O-N 3Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 3.47Å; Q44-N54 PolarHBondContact NE2-OD1 2.74Å |
| 45 | S | 94.9 | Very high | 96.2 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 59% | 0.594 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.1 | 174.4 | 71.8 | 0 | 0 | 0 | 0 | 114.8 | S41 V42 I43 P47 | S41-S45 PolarHBondContact O-N 3.28Å; V42-S45 CarbonylContact O-C 3.18Å; V42-S45 WeakPolarHBondContact O-CA 3.32Å; V42-S45 PolarHBondContact O-N 3.18Å; V42-S45 PolarHBondContact O-OG 3.31Å; I43-S45 PolarHBondContact O-N 2.99Å; S45-P47 WeakPolarHBondContact O-CD 3.43Å |
| 46 | T | 95.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | trans | -115.5 | 93.7 | -176.2 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | V42 I43 T48 I49 S50 N321 F322 | V42-T46 PolarHBondContact O-N 3.17Å; V42-T46 PolarHBondContact O-OG1 3.16Å; I43-T46 PolarHBondContact O-N 3.12Å; T46-T48 WeakPolarHBondContact CG2-OG1 3.27Å; T46-T48 PolarHBondContact O-N 2.82Å; T46-I49 HydrophobicContact CG2-CD1 4.12Å; T46-I49 HydrophobicContact CG2-CG1 4.11Å; T46-I49 PolarHBondContact O-N 2.82Å; T46-S50 PolarHBondContact O-N 3.19Å; T46-S50 PolarHBondContact O-OG 2.82Å; T46-N321 HydrophobicContact CG2-CB 4.48Å; T46-F322 HydrophobicContact CG2-CZ 4.21Å | ||
| 47 | P | 93 | Very high | 96.2 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58 | -26.4 | -172 | -27.7 | 35.6 | 0 | 0 | 0 | 115.5 | S45 I49 S50 N51 | S45-P47 WeakPolarHBondContact O-CD 3.43Å; P47-I49 PolarHBondContact O-N 3.38Å; P47-S50 WeakPolarHBondContact CA-OG 3.46Å; P47-N51 WeakPolarHBondContact O-CB 3.47Å; P47-N51 PolarHBondContact O-N 3.22Å; P47-N51 PolarHBondContact O-ND2 3.44Å |
| 48 | T | 92.4 | Very high | 96.2 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -25.1 | 175.3 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | T46 N321 | T46-T48 WeakPolarHBondContact CG2-OG1 3.27Å; T46-T48 PolarHBondContact O-N 2.82Å; T48-N321 PolarHBondContact OG1-OD1 3.03Å |
| 49 | I | 95.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -110.1 | -49.9 | -179.4 | -50 | 176.9 | 0 | 0 | 0 | 110.7 | I43 T46 P47 N51 K52 Y53 L317 L318 N321 F322 | I43-I49 HydrophobicContact CG1-CD1 4.46Å; I43-I49 HydrophobicContact CG1-CG2 4.33Å; I43-I49 HydrophobicContact CG2-CB 4.17Å; I43-I49 HydrophobicContact CG2-CG2 3.68Å; T46-I49 HydrophobicContact CG2-CD1 4.12Å; T46-I49 HydrophobicContact CG2-CG1 4.11Å; T46-I49 PolarHBondContact O-N 2.82Å; P47-I49 PolarHBondContact O-N 3.38Å; I49-N51 PolarHBondContact O-N 3.31Å; I49-N51 VanDerWaalsContact O-N 3.13Å; I49-K52 PolarHBondContact O-N 2.8Å; I49-Y53 HydrophobicContact CG2-CD2 4.36Å; I49-Y53 PolarHBondContact O-N 3.43Å; I49-L317 HydrophobicContact CG1-CB 4.22Å; I49-L318 HydrophobicContact CD1-CD2 4.32Å; I49-N321 HydrophobicContact CD1-CB 4.01Å; I49-F322 HydrophobicContact CD1-CD2 4.3Å; I49-F322 HydrophobicContact CD1-CE2 3.48Å; I49-F322 VanDerWaalsContact CD1-CE2 3.48Å; I49-F322 HydrophobicContact CD1-CZ 3.99Å |
| 50 | S | 94.3 | Very high | 96 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.6 | -23.6 | -174.1 | 58.5 | 0 | 0 | 0 | 0 | 114 | Q20 I43 T46 P47 K52 | Q20-S50 WeakPolarHBondContact CG-O 3.46Å; Q20-S50 PolarHBondContact NE2-O 3.12Å; I43-S50 VanDerWaalsContact O-CB 3.32Å; I43-S50 WeakPolarHBondContact O-CB 3.32Å; T46-S50 PolarHBondContact O-N 3.19Å; T46-S50 PolarHBondContact O-OG 2.82Å; P47-S50 WeakPolarHBondContact CA-OG 3.46Å; S50-K52 PolarHBondContact O-N 2.9Å |
| 51 | N | 93.7 | Very high | 95.7 | Very high | 112 Ų | 112 | 46 Ų | 46 | 60% | 0.599 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.6 | 173.6 | -73.2 | -23.9 | 0 | 0 | 0 | 113.6 | P47 I49 | P47-N51 WeakPolarHBondContact O-CB 3.47Å; P47-N51 PolarHBondContact O-N 3.22Å; P47-N51 PolarHBondContact O-ND2 3.44Å; I49-N51 PolarHBondContact O-N 3.31Å; I49-N51 VanDerWaalsContact O-N 3.13Å |
| 52 | K | 95.1 | Very high | 95.4 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -37.2 | -175 | -64.7 | -176.6 | 179.4 | -175.4 | 0 | 113.2 | T21 I49 S50 L317 | T21-K52 PolarHBondContact N-O 3.33Å; I49-K52 PolarHBondContact O-N 2.8Å; S50-K52 PolarHBondContact O-N 2.9Å; K52-L317 HydrophobicContact CD-CD1 4.5Å |
| 53 | Y | 96.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.8 | -169.2 | -58.4 | -81.5 | 0 | 0 | 0 | 112.7 | T21 V23 I49 V310 D313 F314 L317 | T21-Y53 CarbonylContact O-C 3.59Å; T21-Y53 VanDerWaalsContact O-CA 3.28Å; T21-Y53 WeakPolarHBondContact O-CA 3.28Å; V23-Y53 HydrophobicContact CG2-CD1 4.09Å; I49-Y53 HydrophobicContact CG2-CD2 4.36Å; I49-Y53 PolarHBondContact O-N 3.43Å; Y53-V310 HydrophobicContact CE1-CG1 3.95Å; Y53-V310 WeakPolarHBondContact CE1-O 3.42Å; Y53-V310 PolarHBondContact OH-O 3.01Å; Y53-D313 VanDerWaalsContact OH-CB 3.24Å; Y53-D313 WeakPolarHBondContact OH-CB 3.42Å; Y53-F314 HydrophobicContact CD1-CB 4.18Å; Y53-F314 HydrophobicContact CD1-CD2 4.08Å; Y53-F314 HydrophobicContact CD1-CG 4.49Å; Y53-F314 HydrophobicContact CD2-CD2 4.16Å; Y53-F314 HydrophobicContact CE1-CB 4.01Å; Y53-F314 HydrophobicContact CG-CB 4.48Å; Y53-F314 AromaticContact CG-CD2 3.77Å; Y53-F314 HydrophobicContact CG-CD2 3.77Å; Y53-L317 HydrophobicContact CD2-CD1 3.99Å; Y53-L317 HydrophobicContact CE2-CD1 3.58Å |
| 54 | N | 96.5 | Very high | 95.3 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 20% | 0.198 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.2 | 166.4 | 179 | 34.7 | 0 | 0 | 0 | 108.6 | Q20 T21 T22 V23 Q44 | Q20-N54 HydrophobicContact CB-CB 4.17Å; T21-N54 PolarHBondContact O-N 3.17Å; T22-N54 CarbonylContact C-O 3.29Å; T22-N54 VanDerWaalsContact CA-O 3.32Å; T22-N54 WeakPolarHBondContact CA-O 3.4Å; V23-N54 PolarHBondContact N-O 2.79Å; Q44-N54 PolarHBondContact NE2-OD1 2.74Å |
| 55 | L | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.1 | 176.9 | 176.7 | 63.7 | 0 | 0 | 0 | 110 | W25 L39 S40 I43 F314 | W25-L55 HydrophobicContact CB-CD1 3.89Å; L39-L55 HydrophobicContact CB-CD2 4.14Å; L39-L55 HydrophobicContact CD2-CD2 3.71Å; L39-L55 HydrophobicContact CG-CD2 3.72Å; S40-L55 WeakPolarHBondContact CB-O 3.49Å; S40-L55 PolarHBondContact OG-O 3.47Å; I43-L55 HydrophobicContact CD1-CB 3.69Å; I43-L55 HydrophobicContact CD1-CD2 3.7Å; I43-L55 HydrophobicContact CD1-CG 4.34Å; L55-F314 HydrophobicContact CB-CZ 4.38Å; L55-F314 HydrophobicContact CD1-CE1 4.49Å; L55-F314 HydrophobicContact CD1-CZ 4.02Å |
| 56 | T | 97.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 41 Ų | 41 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.3 | 172.6 | 48.8 | 0 | 0 | 0 | 0 | 109.1 | T22 V23 R24 W25 | T22-T56 HydrophobicContact CG2-CG2 3.71Å; T22-T56 WeakPolarHBondContact CG2-OG1 3.32Å; V23-T56 PolarHBondContact O-N 3.36Å; V23-T56 PolarHBondContact O-OG1 3.11Å; V23-T56 VanDerWaalsContact O-OG1 3.09Å; R24-T56 CarbonylContact C-O 3.35Å; R24-T56 WeakPolarHBondContact CA-O 3.42Å; R24-T56 WeakPolarHBondContact CA-OG1 3.44Å; R24-T56 WeakPolarHBondContact CG-OG1 3.33Å; W25-T56 PolarHBondContact N-O 3.25Å |
| 57 | C | 98.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 14% | 0.142 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.4 | -176 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | C36 N37 | C36-C57 HydrophobicContact CB-CB 3.78Å; C36-C57 WeakPolarHBondContact CB-SG 3.18Å; C36-C57 PolarHBondContact O-SG 3.22Å; C36-C57 VanDerWaalsContact O-SG 3.33Å; C36-C57 WeakPolarHBondContact SG-CB 3.48Å; C36-C57 CovalentContact SG-SG 2.03Å; C36-C57 PolarHBondContact SG-SG 3Å; N37-C57 PolarHBondContact N-SG 3.26Å; N37-C57 VanDerWaalsContact N-SG 3.38Å |
| 58 | I | 98.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 23% | 0.226 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.6 | 179.6 | -60.8 | -178.4 | 0 | 0 | 0 | 106.9 | R24 W25 C26 S27 L69 Q74 A75 | R24-I58 HydrophobicContact CB-CD1 3.75Å; R24-I58 HydrophobicContact CB-CG1 4.42Å; R24-I58 HydrophobicContact CG-CD1 4.11Å; W25-I58 PolarHBondContact O-N 2.69Å; C26-I58 CarbonylContact C-O 3.48Å; C26-I58 VanDerWaalsContact CA-O 3.32Å; C26-I58 WeakPolarHBondContact CA-O 3.06Å; S27-I58 PolarHBondContact N-O 2.68Å; I58-L69 HydrophobicContact CG2-CD1 3.97Å; I58-Q74 WeakPolarHBondContact CD1-O 3.43Å; I58-A75 HydrophobicContact CD1-CB 4.01Å |
| 59 | L | 97.1 | Very high | 95.9 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 39% | 0.387 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 117.4 | 174.2 | -178.2 | 63.6 | 0 | 0 | 0 | 109.8 | S29 E33 | S29-L59 WeakPolarHBondContact O-CD1 3.48Å; E33-L59 HydrophobicContact CB-CD1 4.3Å |
| 60 | G | 94.1 | Very high | 96 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | trans | -89.9 | 161.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111 | S27 D62 N65 | S27-G60 PolarHBondContact O-N 3.12Å; G60-D62 VanDerWaalsContact C-N 3.3Å; G60-N65 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 61 | S | 90 | Very high | 96.1 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 48% | 0.483 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -70.5 | -28.2 | 174.7 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | N65 | S61-N65 PolarHBondContact N-OD1 3.06Å; S61-N65 WeakPolarHBondContact OG-CB 3.37Å |
| 62 | D | 92.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 21% | 0.214 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -168.7 | -179 | -175.3 | 54.3 | 65.9 | 0 | 0 | 0 | 109.4 | G60 F64 N65 C66 | G60-D62 VanDerWaalsContact C-N 3.3Å; D62-F64 VanDerWaalsContact C-N 3.34Å; D62-F64 PolarHBondContact O-N 3.31Å; D62-F64 WeakPolarHBondContact OD1-CA 3.39Å; D62-F64 WeakPolarHBondContact OD1-CB 3.48Å; D62-F64 PolarHBondContact OD1-N 2.92Å; D62-N65 PolarHBondContact O-N 3.33Å; D62-N65 PolarHBondContact OD1-N 2.84Å; D62-C66 PolarHBondContact O-N 2.83Å; D62-C66 VanDerWaalsContact O-N 3.09Å |
| 63 | E | 95.4 | Very high | 96.2 | Very high | 30 Ų | 30 | 40 Ų | 40 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -40.4 | 177.8 | -66 | 88.2 | 158.5 | 0 | 0 | 113 | V28 C66 M67 M78 L80 L84 S216 | V28-E63 HydrophobicContact CG1-CG 4.12Å; E63-C66 PolarHBondContact O-N 2.69Å; E63-M67 HydrophobicContact CB-CE 4.1Å; E63-M67 VanDerWaalsContact O-CG 3.27Å; E63-M67 WeakPolarHBondContact O-CG 3.42Å; E63-M67 PolarHBondContact O-N 2.75Å; E63-M78 HydrophobicContact CB-CE 4.39Å; E63-M78 WeakPolarHBondContact O-CE 3.46Å; E63-L80 HydrophobicContact CB-CD2 3.92Å; E63-L80 HydrophobicContact CG-CD2 3.97Å; E63-L84 HydrophobicContact CB-CD1 4.31Å; E63-L84 HydrophobicContact CG-CD1 3.93Å; E63-S216 WeakPolarHBondContact OE2-CB 3.45Å; E63-S216 PolarHBondContact OE2-OG 3Å |
| 64 | F | 95.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 44 Ų | 44 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.4 | -37.5 | -176.9 | -57.8 | -65.3 | 0 | 0 | 0 | 111.9 | D62 C66 M67 K68 L84 Y92 N185 I190 F191 | D62-F64 VanDerWaalsContact C-N 3.34Å; D62-F64 PolarHBondContact O-N 3.31Å; D62-F64 WeakPolarHBondContact OD1-CA 3.39Å; D62-F64 WeakPolarHBondContact OD1-CB 3.48Å; D62-F64 PolarHBondContact OD1-N 2.92Å; F64-C66 VanDerWaalsContact C-N 3.34Å; F64-M67 HydrophobicContact CD1-CE 3.99Å; F64-M67 HydrophobicContact CD1-SD 3.95Å; F64-M67 HydrophobicContact CE1-CE 4.25Å; F64-M67 WeakPolarHBondContact O-CB 3.13Å; F64-M67 PolarHBondContact O-N 2.95Å; F64-K68 PolarHBondContact O-N 3.25Å; F64-L84 HydrophobicContact CE1-CD2 4.11Å; F64-L84 HydrophobicContact CZ-CD2 3.83Å; F64-Y92 HydrophobicContact CD1-CE2 4.42Å; F64-N185 HydrophobicContact CE2-CB 4.38Å; F64-I190 HydrophobicContact CB-CD1 4.14Å; F64-I190 HydrophobicContact CD1-CD1 3.04Å; F64-I190 HydrophobicContact CD2-CD1 4.15Å; F64-I190 HydrophobicContact CE1-CD1 3.26Å; F64-I190 HydrophobicContact CE2-CD1 4.33Å; F64-I190 HydrophobicContact CG-CD1 3.52Å; F64-I190 HydrophobicContact CZ-CD1 3.92Å; F64-F191 HydrophobicContact CE2-CE2 4.48Å; F64-F191 AromaticContact CZ-CE2 3.9Å; F64-F191 HydrophobicContact CZ-CE2 3.9Å |
| 65 | N | 95.4 | Very high | 96.3 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 171.4 | -175.4 | -96.3 | 0 | 0 | 0 | 111 | G60 S61 D62 M67 K68 L69 | G60-N65 WeakPolarHBondContact CA-OD1 3.31Å; S61-N65 PolarHBondContact N-OD1 3.06Å; S61-N65 WeakPolarHBondContact OG-CB 3.37Å; D62-N65 PolarHBondContact O-N 3.33Å; D62-N65 PolarHBondContact OD1-N 2.84Å; N65-M67 VanDerWaalsContact C-N 3.35Å; N65-M67 PolarHBondContact O-N 2.92Å; N65-K68 WeakPolarHBondContact O-CB 3.45Å; N65-K68 PolarHBondContact O-N 3.42Å; N65-L69 WeakPolarHBondContact O-CG 3.43Å; N65-L69 PolarHBondContact O-N 2.96Å; N65-L69 WeakPolarHBondContact OD1-CD1 3.2Å |
| 66 | C | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 173.7 | -86.3 | 0 | 0 | 0 | 0 | 112.9 | C26 V28 D62 E63 F64 K68 L69 I70 M78 | C26-C66 HydrophobicContact CB-CB 3.7Å; C26-C66 WeakPolarHBondContact CB-SG 3.44Å; C26-C66 WeakPolarHBondContact SG-CA 3.42Å; C26-C66 WeakPolarHBondContact SG-CB 3.47Å; C26-C66 CovalentContact SG-SG 2.04Å; C26-C66 PolarHBondContact SG-SG 3.24Å; V28-C66 HydrophobicContact CG1-CB 4.24Å; D62-C66 PolarHBondContact O-N 2.83Å; D62-C66 VanDerWaalsContact O-N 3.09Å; E63-C66 PolarHBondContact O-N 2.69Å; F64-C66 VanDerWaalsContact C-N 3.34Å; C66-K68 VanDerWaalsContact C-N 3.32Å; C66-K68 PolarHBondContact O-N 2.85Å; C66-L69 PolarHBondContact O-N 2.85Å; C66-I70 WeakPolarHBondContact O-CG1 3.32Å; C66-I70 PolarHBondContact O-N 2.82Å; C66-M78 HydrophobicContact CB-CE 3.36Å; C66-M78 HydrophobicContact CB-SD 3.77Å |
| 67 | M | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.4 | -66.7 | 170.8 | -154.2 | 0 | 0 | 111.7 | E63 F64 N65 I70 N71 M78 L80 L84 G88 Y92 L94 | E63-M67 HydrophobicContact CB-CE 4.1Å; E63-M67 VanDerWaalsContact O-CG 3.27Å; E63-M67 WeakPolarHBondContact O-CG 3.42Å; E63-M67 PolarHBondContact O-N 2.75Å; F64-M67 HydrophobicContact CD1-CE 3.99Å; F64-M67 HydrophobicContact CD1-SD 3.95Å; F64-M67 HydrophobicContact CE1-CE 4.25Å; F64-M67 WeakPolarHBondContact O-CB 3.13Å; F64-M67 PolarHBondContact O-N 2.95Å; N65-M67 VanDerWaalsContact C-N 3.35Å; N65-M67 PolarHBondContact O-N 2.92Å; M67-I70 PolarHBondContact O-N 2.92Å; M67-N71 WeakPolarHBondContact O-CB 3.2Å; M67-N71 PolarHBondContact O-N 3.37Å; M67-M78 HydrophobicContact CB-SD 4.46Å; M67-M78 HydrophobicContact CG-CE 4.5Å; M67-M78 HydrophobicContact CG-SD 3.75Å; M67-L80 HydrophobicContact CE-CD1 3.58Å; M67-L80 HydrophobicContact CE-CD2 3.52Å; M67-L80 HydrophobicContact CE-CG 4.21Å; M67-L80 HydrophobicContact CG-CD1 3.94Å; M67-L80 HydrophobicContact SD-CD1 4.31Å; M67-L84 HydrophobicContact CE-CB 4.02Å; M67-L84 WeakPolarHBondContact CE-O 3.33Å; M67-G88 WeakPolarHBondContact SD-CA 3.42Å; M67-Y92 HydrophobicContact CB-CD1 4.35Å; M67-Y92 HydrophobicContact CB-CD2 3.54Å; M67-Y92 HydrophobicContact CB-CE2 4.07Å; M67-Y92 HydrophobicContact CB-CG 3.69Å; M67-Y92 HydrophobicContact CG-CD2 4.25Å; M67-Y92 HydrophobicContact SD-CD2 3.76Å; M67-Y92 HydrophobicContact SD-CE2 4.02Å; M67-L94 HydrophobicContact CB-CD1 3.89Å; M67-L94 HydrophobicContact CG-CD1 3.81Å |
| 68 | K | 96.7 | Very high | 96.3 | Very high | 99 Ų | 99 | 39.6 Ų | 39.6 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 175.3 | -177.5 | 178.9 | 177.4 | 177.2 | 0 | 111.8 | F64 N65 C66 I70 N71 E72 Y92 | F64-K68 PolarHBondContact O-N 3.25Å; N65-K68 WeakPolarHBondContact O-CB 3.45Å; N65-K68 PolarHBondContact O-N 3.42Å; C66-K68 VanDerWaalsContact C-N 3.32Å; C66-K68 PolarHBondContact O-N 2.85Å; K68-I70 VanDerWaalsContact C-N 3.3Å; K68-I70 PolarHBondContact O-N 3.05Å; K68-N71 WeakPolarHBondContact O-CB 3.39Å; K68-N71 PolarHBondContact O-N 2.86Å; K68-E72 WeakPolarHBondContact CE-OE1 3.43Å; K68-E72 HydrophobicContact CG-CG 4.45Å; K68-E72 WeakPolarHBondContact CG-OE1 3.32Å; K68-E72 WeakPolarHBondContact O-CB 3.45Å; K68-E72 WeakPolarHBondContact O-CG 3.38Å; K68-E72 PolarHBondContact O-N 2.79Å; K68-Y92 HydrophobicContact CB-CD1 4.12Å; K68-Y92 HydrophobicContact CB-CE1 3.87Å; K68-Y92 HydrophobicContact CG-CE1 4.49Å |
| 69 | L | 98.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -38 | 178.1 | -70.3 | 172.9 | 0 | 0 | 0 | 112 | I58 N65 C66 K73 Q74 A75 | I58-L69 HydrophobicContact CG2-CD1 3.97Å; N65-L69 WeakPolarHBondContact O-CG 3.43Å; N65-L69 PolarHBondContact O-N 2.96Å; N65-L69 WeakPolarHBondContact OD1-CD1 3.2Å; C66-L69 PolarHBondContact O-N 2.85Å; L69-K73 PolarHBondContact O-N 3.18Å; L69-Q74 HydrophobicContact CB-CB 4.23Å; L69-Q74 HydrophobicContact CD2-CB 3.85Å; L69-Q74 HydrophobicContact CD2-CG 4.29Å; L69-Q74 WeakPolarHBondContact O-CA 3.35Å; L69-Q74 WeakPolarHBondContact O-CB 3.18Å; L69-Q74 PolarHBondContact O-N 3.05Å; L69-A75 HydrophobicContact CB-CB 4.16Å; L69-A75 PolarHBondContact O-N 3.35Å; L69-A75 VanDerWaalsContact O-N 3.1Å |
| 70 | I | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -43.9 | 175 | -64.8 | 172.2 | 0 | 0 | 0 | 111.3 | C66 M67 K68 E72 K73 A75 M78 L94 | C66-I70 WeakPolarHBondContact O-CG1 3.32Å; C66-I70 PolarHBondContact O-N 2.82Å; M67-I70 PolarHBondContact O-N 2.92Å; K68-I70 VanDerWaalsContact C-N 3.3Å; K68-I70 PolarHBondContact O-N 3.05Å; I70-E72 VanDerWaalsContact C-N 3.28Å; I70-E72 PolarHBondContact O-N 2.73Å; I70-K73 WeakPolarHBondContact O-CA 3.14Å; I70-K73 PolarHBondContact O-N 3.07Å; I70-A75 WeakPolarHBondContact CA-O 3.46Å; I70-A75 HydrophobicContact CG1-CB 3.77Å; I70-M78 HydrophobicContact CD1-CB 3.8Å; I70-M78 HydrophobicContact CD1-CG 3.48Å; I70-M78 VanDerWaalsContact CD1-CG 3.48Å; I70-M78 HydrophobicContact CD1-SD 3.82Å; I70-L94 HydrophobicContact CB-CD2 3.98Å; I70-L94 HydrophobicContact CG2-CD2 3.51Å |
| 71 | N | 96.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 28% | 0.283 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 177 | -174.7 | 41.7 | 0 | 0 | 0 | 111.9 | M67 K68 K73 Y92 | M67-N71 WeakPolarHBondContact O-CB 3.2Å; M67-N71 PolarHBondContact O-N 3.37Å; K68-N71 WeakPolarHBondContact O-CB 3.39Å; K68-N71 PolarHBondContact O-N 2.86Å; N71-K73 PolarHBondContact O-N 3.25Å; N71-Y92 VanDerWaalsContact CB-O 3.28Å; N71-Y92 WeakPolarHBondContact CB-O 3.27Å; N71-Y92 VanDerWaalsContact CG-O 3.23Å; N71-Y92 PolarHBondContact OD1-O 3.44Å; N71-Y92 VanDerWaalsContact OD1-O 3.11Å |
| 72 | E | 95.8 | Very high | 96.7 | Very high | 91 Ų | 91 | 31.2 Ų | 31.2 | 43% | 0.425 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 4.2 | 176.2 | -66.7 | 176.6 | -178.5 | 0 | 0 | 113.5 | K68 I70 Q74 | K68-E72 WeakPolarHBondContact CE-OE1 3.43Å; K68-E72 HydrophobicContact CG-CG 4.45Å; K68-E72 WeakPolarHBondContact CG-OE1 3.32Å; K68-E72 WeakPolarHBondContact O-CB 3.45Å; K68-E72 WeakPolarHBondContact O-CG 3.38Å; K68-E72 PolarHBondContact O-N 2.79Å; I70-E72 VanDerWaalsContact C-N 3.28Å; I70-E72 PolarHBondContact O-N 2.73Å; E72-Q74 HydrophobicContact CB-CG 4.15Å; E72-Q74 PolarHBondContact O-N 3.01Å; E72-Q74 PolarHBondContact OE2-NE2 3.07Å |
| 73 | K | 94.9 | Very high | 96.9 | Very high | 128 Ų | 128 | 29.3 Ų | 29.3 | 56% | 0.557 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 28.9 | -178.2 | -53 | 179.2 | 178.4 | -179.8 | 0 | 113.6 | R24 L69 I70 N71 | R24-K73 PolarHBondContact NH1-O 3.37Å; R24-K73 PolarHBondContact NH2-O 3.21Å; L69-K73 PolarHBondContact O-N 3.18Å; I70-K73 WeakPolarHBondContact O-CA 3.14Å; I70-K73 PolarHBondContact O-N 3.07Å; N71-K73 PolarHBondContact O-N 3.25Å |
| 74 | Q | 96.9 | Very high | 97 | Very high | 97 Ų | 97 | 28 Ų | 28 | 45% | 0.453 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -86 | -29.6 | 170.5 | -58.6 | -166 | 50.2 | 0 | 0 | 111.7 | R24 I58 L69 E72 | R24-Q74 WeakPolarHBondContact CD-O 3.24Å; R24-Q74 VanDerWaalsContact NH1-C 3.29Å; R24-Q74 PolarHBondContact NH1-O 3.19Å; I58-Q74 WeakPolarHBondContact CD1-O 3.43Å; L69-Q74 HydrophobicContact CB-CB 4.23Å; L69-Q74 HydrophobicContact CD2-CB 3.85Å; L69-Q74 HydrophobicContact CD2-CG 4.29Å; L69-Q74 WeakPolarHBondContact O-CA 3.35Å; L69-Q74 WeakPolarHBondContact O-CB 3.18Å; L69-Q74 PolarHBondContact O-N 3.05Å; E72-Q74 HydrophobicContact CB-CG 4.15Å; E72-Q74 PolarHBondContact O-N 3.01Å; E72-Q74 PolarHBondContact OE2-NE2 3.07Å |
| 75 | A | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | trans | -124.4 | 170 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C26 I58 L69 I70 | C26-A75 HydrophobicContact CB-CB 3.87Å; I58-A75 HydrophobicContact CD1-CB 4.01Å; L69-A75 HydrophobicContact CB-CB 4.16Å; L69-A75 PolarHBondContact O-N 3.35Å; L69-A75 VanDerWaalsContact O-N 3.1Å; I70-A75 WeakPolarHBondContact CA-O 3.46Å; I70-A75 HydrophobicContact CG1-CB 3.77Å | ||
| 76 | D | 98 | Very high | 97.1 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.064 | 12% | 0.119 | C | C | . | . | trans | -117.1 | -43.3 | -175 | -60.7 | -44.8 | 0 | 0 | 0 | 113.6 | R24 T301 Y311 | R24-D76 HydrophobicContact CB-CB 4.35Å; R24-D76 WeakPolarHBondContact CB-OD2 3.23Å; R24-D76 WeakPolarHBondContact CG-OD2 3.41Å; R24-D76 IonicContact CZ-OD1 3.08Å; R24-D76 IonicContact CZ-OD2 3.83Å; R24-D76 PolarHBondContact N-OD2 2.89Å; R24-D76 IonicContact NE-OD1 3.13Å; R24-D76 PolarHBondContact NE-OD1 3.41Å; R24-D76 IonicContact NE-OD2 2.78Å; R24-D76 PolarHBondContact NE-OD2 3.09Å; R24-D76 IonicContact NH2-OD1 3.86Å; R24-D76 PolarHBondContact NH2-OD1 3.2Å; R24-D76 IonicContact NH2-OD2 2.99Å; R24-D76 WeakPolarHBondContact O-CA 3.45Å; R24-D76 WeakPolarHBondContact O-CB 3.32Å; R24-D76 PolarHBondContact O-N 2.95Å; D76-T301 WeakPolarHBondContact O-CB 3.49Å; D76-T301 PolarHBondContact O-OG1 3.31Å; D76-Y311 HydrophobicContact CB-CE1 3.9Å; D76-Y311 HydrophobicContact CB-CE2 4.46Å; D76-Y311 PolarHBondContact OD1-OH 3.17Å | ||
| 77 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -134.5 | 144 | -172.6 | -62.2 | 176.7 | 0 | 0 | 0 | 111.4 | V23 R24 W25 C26 I97 I299 Y311 F314 | V23-L77 HydrophobicContact CG1-CD1 3.75Å; V23-L77 HydrophobicContact CG1-CG 4.35Å; R24-L77 PolarHBondContact O-N 3.01Å; R24-L77 VanDerWaalsContact O-N 3.15Å; W25-L77 HydrophobicContact CE3-CB 3.73Å; W25-L77 HydrophobicContact CE3-CD1 4.41Å; W25-L77 HydrophobicContact CZ3-CB 3.93Å; W25-L77 HydrophobicContact CZ3-CD1 4.43Å; C26-L77 PolarHBondContact N-O 3.09Å; L77-I97 HydrophobicContact CD2-CD1 3.6Å; L77-I299 HydrophobicContact CD2-CG2 4.14Å; L77-Y311 HydrophobicContact CD1-CD1 4.22Å; L77-Y311 HydrophobicContact CD1-CG 4.25Å; L77-Y311 HydrophobicContact CD2-CD2 4Å; L77-Y311 HydrophobicContact CD2-CG 3.94Å; L77-Y311 HydrophobicContact CG-CD1 4.37Å; L77-Y311 HydrophobicContact CG-CG 4.28Å; L77-F314 HydrophobicContact CD1-CD1 4.39Å |
| 78 | M | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 163.3 | 163.7 | 69.9 | -178.7 | -52.1 | 0 | 0 | 109.8 | C26 V28 E63 C66 M67 I70 L80 I299 M300 | C26-M78 HydrophobicContact CB-CB 4.36Å; V28-M78 HydrophobicContact CG1-CE 4.08Å; E63-M78 HydrophobicContact CB-CE 4.39Å; E63-M78 WeakPolarHBondContact O-CE 3.46Å; C66-M78 HydrophobicContact CB-CE 3.36Å; C66-M78 HydrophobicContact CB-SD 3.77Å; M67-M78 HydrophobicContact CB-SD 4.46Å; M67-M78 HydrophobicContact CG-CE 4.5Å; M67-M78 HydrophobicContact CG-SD 3.75Å; I70-M78 HydrophobicContact CD1-CB 3.8Å; I70-M78 HydrophobicContact CD1-CG 3.48Å; I70-M78 VanDerWaalsContact CD1-CG 3.48Å; I70-M78 HydrophobicContact CD1-SD 3.82Å; M78-L80 HydrophobicContact CE-CD1 4.13Å; M78-L80 HydrophobicContact CE-CD2 3.47Å; M78-L80 VanDerWaalsContact CE-CD2 3.47Å; M78-L80 HydrophobicContact CE-CG 3.77Å; M78-L80 HydrophobicContact CG-CD1 4.06Å; M78-L80 HydrophobicContact CG-CG 4.03Å; M78-L80 HydrophobicContact SD-CD1 3.68Å; M78-L80 HydrophobicContact SD-CD2 4.19Å; M78-L80 HydrophobicContact SD-CG 3.93Å; M78-I299 CarbonylContact O-C 3.56Å; M78-I299 WeakPolarHBondContact O-CA 3.49Å; M78-M300 HydrophobicContact CG-CB 4.45Å; M78-M300 PolarHBondContact N-O 3.27Å; M78-M300 PolarHBondContact O-N 3.11Å |
| 79 | N | 97.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 8% | 0.075 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.9 | 175.4 | -176 | 22.4 | 0 | 0 | 0 | 110.6 | W25 E100 M298 M353 | W25-N79 HydrophobicContact CH2-CB 4.1Å; W25-N79 HydrophobicContact CZ2-CB 4.01Å; N79-E100 PolarHBondContact ND2-OE1 3.24Å; N79-M298 WeakPolarHBondContact CA-O 3.41Å; N79-M298 PolarHBondContact OD1-O 3.48Å; N79-M353 WeakPolarHBondContact CB-O 3.31Å; N79-M353 PolarHBondContact ND2-O 3.34Å |
| 80 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.1 | -172.3 | -76.2 | 170.8 | 0 | 0 | 0 | 111.9 | E63 M67 M78 L84 A85 R297 M298 M300 | E63-L80 HydrophobicContact CB-CD2 3.92Å; E63-L80 HydrophobicContact CG-CD2 3.97Å; M67-L80 HydrophobicContact CE-CD1 3.58Å; M67-L80 HydrophobicContact CE-CD2 3.52Å; M67-L80 HydrophobicContact CE-CG 4.21Å; M67-L80 HydrophobicContact CG-CD1 3.94Å; M67-L80 HydrophobicContact SD-CD1 4.31Å; M78-L80 HydrophobicContact CE-CD1 4.13Å; M78-L80 HydrophobicContact CE-CD2 3.47Å; M78-L80 VanDerWaalsContact CE-CD2 3.47Å; M78-L80 HydrophobicContact CE-CG 3.77Å; M78-L80 HydrophobicContact CG-CD1 4.06Å; M78-L80 HydrophobicContact CG-CG 4.03Å; M78-L80 HydrophobicContact SD-CD1 3.68Å; M78-L80 HydrophobicContact SD-CD2 4.19Å; M78-L80 HydrophobicContact SD-CG 3.93Å; L80-L84 HydrophobicContact CD2-CB 4.09Å; L80-A85 HydrophobicContact CB-CB 4.2Å; L80-R297 WeakPolarHBondContact O-CA 2.91Å; L80-R297 WeakPolarHBondContact O-CB 3.46Å; L80-M298 PolarHBondContact N-O 3.31Å; L80-M298 PolarHBondContact O-N 2.92Å; L80-M300 HydrophobicContact CB-CG 4.24Å; L80-M300 HydrophobicContact CD1-CB 4.33Å; L80-M300 HydrophobicContact CD1-CG 3.92Å; L80-M300 HydrophobicContact CG-CG 4.46Å |
| 81 | D | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -58.5 | 149.9 | 160.4 | 174.6 | -103.2 | 0 | 0 | 0 | 110.9 | G83 L84 A85 Y115 T144 A145 | D81-G83 VanDerWaalsContact C-N 3.27Å; D81-G83 PolarHBondContact O-N 2.85Å; D81-G83 WeakPolarHBondContact OD1-CA 3.31Å; D81-G83 PolarHBondContact OD1-N 2.82Å; D81-L84 HydrophobicContact CB-CB 4.45Å; D81-L84 HydrophobicContact CB-CD1 4.4Å; D81-L84 HydrophobicContact CB-CG 4.44Å; D81-L84 PolarHBondContact O-N 2.9Å; D81-A85 WeakPolarHBondContact O-CB 3.45Å; D81-A85 PolarHBondContact O-N 2.91Å; D81-Y115 PolarHBondContact OD2-OH 2.91Å; D81-T144 WeakPolarHBondContact OD1-CA 3.36Å; D81-A145 WeakPolarHBondContact OD1-CB 3.32Å; D81-A145 PolarHBondContact OD1-N 2.94Å | ||
| 82 | V | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61 | -35.4 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | A145 I294 P295 S296 M298 Y372 I376 F380 | V82-A145 HydrophobicContact CB-CB 4.38Å; V82-I294 HydrophobicContact CB-CG2 4.02Å; V82-I294 HydrophobicContact CG2-CG2 4Å; V82-P295 HydrophobicContact CG1-CG 4.39Å; V82-P295 HydrophobicContact CG2-CB 4.1Å; V82-P295 WeakPolarHBondContact CG2-O 3.45Å; V82-S296 VanDerWaalsContact CG2-O 3.26Å; V82-S296 WeakPolarHBondContact CG2-O 3.25Å; V82-M298 HydrophobicContact CB-CE 4.03Å; V82-M298 HydrophobicContact CG1-CE 3.57Å; V82-M298 HydrophobicContact CG2-CE 3.71Å; V82-Y372 HydrophobicContact CG1-CE2 4.45Å; V82-Y372 WeakPolarHBondContact O-CE2 3.46Å; V82-Y372 PolarHBondContact O-OH 3.09Å; V82-I376 HydrophobicContact CG1-CG2 4.03Å; V82-F380 HydrophobicContact CB-CZ 4.4Å; V82-F380 HydrophobicContact CG1-CD1 3.83Å; V82-F380 HydrophobicContact CG1-CE1 3.58Å; V82-F380 HydrophobicContact CG1-CE2 4.43Å; V82-F380 HydrophobicContact CG1-CG 4.37Å; V82-F380 HydrophobicContact CG1-CZ 3.89Å |
| 83 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.4 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | D81 A85 Y86 Y87 G143 | D81-G83 VanDerWaalsContact C-N 3.27Å; D81-G83 PolarHBondContact O-N 2.85Å; D81-G83 WeakPolarHBondContact OD1-CA 3.31Å; D81-G83 PolarHBondContact OD1-N 2.82Å; G83-A85 VanDerWaalsContact C-N 3.33Å; G83-A85 PolarHBondContact O-N 3.44Å; G83-Y86 VanDerWaalsContact O-CB 3.23Å; G83-Y86 WeakPolarHBondContact O-CB 3.39Å; G83-Y86 PolarHBondContact O-N 3.24Å; G83-Y87 WeakPolarHBondContact O-CD2 3.3Å; G83-G143 CarbonylContact C-O 3.35Å; G83-G143 WeakPolarHBondContact CA-O 3.29Å |
| 84 | L | 96.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.8 | -33.4 | 176.2 | -67.9 | 176.6 | 0 | 0 | 0 | 112.6 | E63 F64 M67 L80 D81 Y86 Y87 G88 G143 T144 | E63-L84 HydrophobicContact CB-CD1 4.31Å; E63-L84 HydrophobicContact CG-CD1 3.93Å; F64-L84 HydrophobicContact CE1-CD2 4.11Å; F64-L84 HydrophobicContact CZ-CD2 3.83Å; M67-L84 HydrophobicContact CE-CB 4.02Å; M67-L84 WeakPolarHBondContact CE-O 3.33Å; L80-L84 HydrophobicContact CD2-CB 4.09Å; D81-L84 HydrophobicContact CB-CB 4.45Å; D81-L84 HydrophobicContact CB-CD1 4.4Å; D81-L84 HydrophobicContact CB-CG 4.44Å; D81-L84 PolarHBondContact O-N 2.9Å; L84-Y86 PolarHBondContact O-N 3.45Å; L84-Y87 PolarHBondContact O-N 3.29Å; L84-Y87 VanDerWaalsContact O-N 3.07Å; L84-G88 PolarHBondContact O-N 2.91Å; L84-G143 PolarHBondContact N-O 3.49Å; L84-T144 HydrophobicContact CD1-CG2 4.33Å; L84-T144 HydrophobicContact CG-CG2 4.48Å |
| 85 | A | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62 | -24.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L80 D81 G83 G88 S89 M298 M300 Y372 | L80-A85 HydrophobicContact CB-CB 4.2Å; D81-A85 WeakPolarHBondContact O-CB 3.45Å; D81-A85 PolarHBondContact O-N 2.91Å; G83-A85 VanDerWaalsContact C-N 3.33Å; G83-A85 PolarHBondContact O-N 3.44Å; A85-G88 PolarHBondContact O-N 3.44Å; A85-S89 WeakPolarHBondContact O-CB 3.49Å; A85-S89 PolarHBondContact O-N 2.96Å; A85-M298 HydrophobicContact CB-SD 4.47Å; A85-M300 HydrophobicContact CB-CE 4.05Å; A85-M300 HydrophobicContact CB-CG 4.39Å; A85-M300 HydrophobicContact CB-SD 4.05Å; A85-Y372 HydrophobicContact CB-CD2 4.02Å; A85-Y372 HydrophobicContact CB-CE2 3.75Å |
| 86 | Y | 95.2 | Very high | 95.9 | Very high | 14 Ų | 14 | 16.6 Ų | 16.6 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 170.3 | 170.8 | -110.6 | 0 | 0 | 0 | 111.6 | G83 L84 S89 S90 Y372 Y373 L384 E388 R419 | G83-Y86 VanDerWaalsContact O-CB 3.23Å; G83-Y86 WeakPolarHBondContact O-CB 3.39Å; G83-Y86 PolarHBondContact O-N 3.24Å; L84-Y86 PolarHBondContact O-N 3.45Å; Y86-S89 PolarHBondContact O-N 3.3Å; Y86-S90 VanDerWaalsContact O-CB 3.28Å; Y86-S90 WeakPolarHBondContact O-CB 3.28Å; Y86-S90 PolarHBondContact O-N 3.33Å; Y86-S90 PolarHBondContact O-OG 3.02Å; Y86-Y372 HydrophobicContact CD2-CD1 4.39Å; Y86-Y372 AromaticContact CD2-CE1 3.83Å; Y86-Y372 HydrophobicContact CD2-CE1 3.83Å; Y86-Y372 HydrophobicContact CG-CE1 4.36Å; Y86-Y373 HydrophobicContact CD2-CE1 4.42Å; Y86-Y373 HydrophobicContact CE2-CE1 4.22Å; Y86-Y373 VanDerWaalsContact CE2-OH 3.25Å; Y86-Y373 WeakPolarHBondContact CE2-OH 3.44Å; Y86-L384 HydrophobicContact CD1-CD2 4.17Å; Y86-L384 HydrophobicContact CD2-CD1 3.82Å; Y86-L384 HydrophobicContact CE2-CD1 4.33Å; Y86-L384 HydrophobicContact CG-CD1 4.09Å; Y86-L384 HydrophobicContact CG-CD2 4.13Å; Y86-E388 WeakPolarHBondContact CE1-OE1 3.43Å; Y86-E388 PolarHBondContact OH-OE1 3.17Å; Y86-E388 PolarHBondContact OH-OE2 3.21Å; Y86-R419 PolarHBondContact OH-NH1 3.28Å |
| 87 | Y | 94.1 | Very high | 95.8 | Very high | 28 Ų | 28 | 16 Ų | 16 | 11% | 0.11 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.3 | -39.7 | 177.4 | -61.2 | -78 | 0 | 0 | 0 | 111.1 | G83 L84 S89 S90 L91 I190 F191 | G83-Y87 WeakPolarHBondContact O-CD2 3.3Å; L84-Y87 PolarHBondContact O-N 3.29Å; L84-Y87 VanDerWaalsContact O-N 3.07Å; Y87-S89 VanDerWaalsContact C-N 3.28Å; Y87-S89 PolarHBondContact O-N 3.49Å; Y87-S90 PolarHBondContact O-N 2.66Å; Y87-L91 HydrophobicContact CD1-CD1 4.13Å; Y87-L91 WeakPolarHBondContact O-CB 3.5Å; Y87-L91 PolarHBondContact O-N 3.22Å; Y87-I190 HydrophobicContact CD1-CG2 3.77Å; Y87-I190 HydrophobicContact CE1-CG2 3.95Å; Y87-F191 HydrophobicContact CE1-CE1 4.27Å; Y87-F191 HydrophobicContact CE1-CZ 4.43Å; Y87-F191 HydrophobicContact CE2-CE1 4.22Å; Y87-F191 AromaticContact CE2-CZ 3.87Å; Y87-F191 HydrophobicContact CE2-CZ 3.87Å; Y87-F191 AromaticContact CZ-CE1 3.69Å; Y87-F191 AromaticContact CZ-CZ 3.8Å; Y87-F191 WeakPolarHBondContact OH-CE1 3.16Å |
| 88 | G | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54.4 | -44.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M67 L84 A85 Y92 S93 L94 | M67-G88 WeakPolarHBondContact SD-CA 3.42Å; L84-G88 PolarHBondContact O-N 2.91Å; A85-G88 PolarHBondContact O-N 3.44Å; G88-Y92 CarbonylContact O-C 3.5Å; G88-Y92 VanDerWaalsContact O-C 3.27Å; G88-Y92 WeakPolarHBondContact O-CA 3.06Å; G88-Y92 WeakPolarHBondContact O-CB 3.47Å; G88-Y92 PolarHBondContact O-N 3.3Å; G88-S93 PolarHBondContact O-N 3.12Å; G88-L94 WeakPolarHBondContact O-CB 3.24Å; G88-L94 WeakPolarHBondContact O-CG 3.49Å; G88-L94 PolarHBondContact O-N 2.82Å |
| 89 | S | 94.5 | Very high | 95.7 | Very high | 21 Ų | 21 | 16 Ų | 16 | 15% | 0.147 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -74.3 | -43.5 | 178.7 | -160.6 | 0 | 0 | 0 | 0 | 113 | A85 Y86 Y87 L94 Y372 | A85-S89 WeakPolarHBondContact O-CB 3.49Å; A85-S89 PolarHBondContact O-N 2.96Å; Y86-S89 PolarHBondContact O-N 3.3Å; Y87-S89 VanDerWaalsContact C-N 3.28Å; Y87-S89 PolarHBondContact O-N 3.49Å; S89-L94 VanDerWaalsContact CA-O 3.31Å; S89-L94 WeakPolarHBondContact CA-O 3.2Å; S89-L94 WeakPolarHBondContact CB-O 3.37Å; S89-L94 PolarHBondContact OG-O 3.08Å; S89-Y372 WeakPolarHBondContact OG-CB 3.32Å |
| 90 | S | 89.9 | Confident | 95.7 | Very high | 56 Ų | 56 | 15.3 Ų | 15.3 | 39% | 0.392 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -80.5 | -31.8 | -170.9 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | Y86 Y87 | Y86-S90 VanDerWaalsContact O-CB 3.28Å; Y86-S90 WeakPolarHBondContact O-CB 3.28Å; Y86-S90 PolarHBondContact O-N 3.33Å; Y86-S90 PolarHBondContact O-OG 3.02Å; Y87-S90 PolarHBondContact O-N 2.66Å |
| 91 | L | 90.5 | Very high | 95.8 | Very high | 88 Ų | 88 | 15.3 Ų | 15.3 | 46% | 0.461 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -107.9 | -32.1 | -176 | -56 | -179.7 | 0 | 0 | 0 | 113 | Y87 I190 | Y87-L91 HydrophobicContact CD1-CD1 4.13Å; Y87-L91 WeakPolarHBondContact O-CB 3.5Å; Y87-L91 PolarHBondContact O-N 3.22Å; L91-I190 HydrophobicContact CD1-CD1 4.2Å; L91-I190 HydrophobicContact CD1-CG1 4.04Å; L91-I190 HydrophobicContact CD1-CG2 4.01Å |
| 92 | Y | 95.1 | Very high | 95.8 | Very high | 42 Ų | 42 | 16.1 Ų | 16.1 | 17% | 0.165 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -116.4 | 14 | -172.6 | -57.5 | -77 | 0 | 0 | 0 | 113.6 | F64 M67 K68 N71 G88 L94 I190 | F64-Y92 HydrophobicContact CD1-CE2 4.42Å; M67-Y92 HydrophobicContact CB-CD1 4.35Å; M67-Y92 HydrophobicContact CB-CD2 3.54Å; M67-Y92 HydrophobicContact CB-CE2 4.07Å; M67-Y92 HydrophobicContact CB-CG 3.69Å; M67-Y92 HydrophobicContact CG-CD2 4.25Å; M67-Y92 HydrophobicContact SD-CD2 3.76Å; M67-Y92 HydrophobicContact SD-CE2 4.02Å; K68-Y92 HydrophobicContact CB-CD1 4.12Å; K68-Y92 HydrophobicContact CB-CE1 3.87Å; K68-Y92 HydrophobicContact CG-CE1 4.49Å; N71-Y92 VanDerWaalsContact CB-O 3.28Å; N71-Y92 WeakPolarHBondContact CB-O 3.27Å; N71-Y92 VanDerWaalsContact CG-O 3.23Å; N71-Y92 PolarHBondContact OD1-O 3.44Å; N71-Y92 VanDerWaalsContact OD1-O 3.11Å; G88-Y92 CarbonylContact O-C 3.5Å; G88-Y92 VanDerWaalsContact O-C 3.27Å; G88-Y92 WeakPolarHBondContact O-CA 3.06Å; G88-Y92 WeakPolarHBondContact O-CB 3.47Å; G88-Y92 PolarHBondContact O-N 3.3Å; Y92-L94 VanDerWaalsContact C-N 3.28Å; Y92-L94 WeakPolarHBondContact O-CD2 3.3Å; Y92-L94 PolarHBondContact O-N 2.75Å; Y92-I190 HydrophobicContact CE2-CD1 4.19Å |
| 93 | S | 94.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 17.1 Ų | 17.1 | 34% | 0.336 | 10% | 0.095 | S | C | . | . | trans | 49.8 | 46.7 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | G88 L303 | G88-S93 PolarHBondContact O-N 3.12Å; S93-L303 WeakPolarHBondContact O-CA 3.2Å; S93-L303 WeakPolarHBondContact O-CB 3.32Å; S93-L303 PolarHBondContact O-N 2.85Å | ||
| 94 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 157.9 | 175.5 | -53.7 | -173.5 | 0 | 0 | 0 | 112.3 | M67 I70 G88 S89 Y92 M300 T301 | M67-L94 HydrophobicContact CB-CD1 3.89Å; M67-L94 HydrophobicContact CG-CD1 3.81Å; I70-L94 HydrophobicContact CB-CD2 3.98Å; I70-L94 HydrophobicContact CG2-CD2 3.51Å; G88-L94 WeakPolarHBondContact O-CB 3.24Å; G88-L94 WeakPolarHBondContact O-CG 3.49Å; G88-L94 PolarHBondContact O-N 2.82Å; S89-L94 VanDerWaalsContact CA-O 3.31Å; S89-L94 WeakPolarHBondContact CA-O 3.2Å; S89-L94 WeakPolarHBondContact CB-O 3.37Å; S89-L94 PolarHBondContact OG-O 3.08Å; Y92-L94 VanDerWaalsContact C-N 3.28Å; Y92-L94 WeakPolarHBondContact O-CD2 3.3Å; Y92-L94 PolarHBondContact O-N 2.75Å; L94-M300 HydrophobicContact CB-CB 4.5Å; L94-M300 HydrophobicContact CB-CE 3.9Å; L94-M300 HydrophobicContact CD1-CB 4.42Å; L94-T301 CarbonylContact C-O 3.54Å; L94-T301 VanDerWaalsContact CA-O 3.23Å; L94-T301 WeakPolarHBondContact CA-O 3.39Å; L94-T301 WeakPolarHBondContact CB-O 3.38Å |
| 95 | R | 96.2 | Very high | 95.6 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149.7 | 173.8 | 62.3 | 175.9 | -76.6 | -170 | -2.6 | 111.3 | M300 T301 L303 T369 | R95-M300 WeakPolarHBondContact O-CA 3.32Å; R95-T301 HydrophobicContact CG-CG2 4.1Å; R95-T301 PolarHBondContact N-O 2.87Å; R95-T301 PolarHBondContact O-N 3.45Å; R95-L303 HydrophobicContact CB-CD1 4.06Å; R95-L303 HydrophobicContact CG-CD1 4.42Å; R95-T369 PolarHBondContact NE-O 2.64Å; R95-T369 PolarHBondContact NH2-O 3.36Å |
| 96 | P | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 153.5 | 169.6 | 29.9 | -33.5 | 0 | 0 | 0 | 110.6 | M298 I299 M300 T369 W375 | P96-M298 HydrophobicContact CB-CB 4.27Å; P96-M298 HydrophobicContact CB-SD 3.98Å; P96-M298 HydrophobicContact CG-SD 4.37Å; P96-I299 WeakPolarHBondContact CA-O 3.23Å; P96-M300 WeakPolarHBondContact CA-SD 3.45Å; P96-M300 HydrophobicContact CB-SD 3.77Å; P96-M300 HydrophobicContact CG-SD 4.47Å; P96-M300 VanDerWaalsContact N-SD 3.39Å; P96-T369 HydrophobicContact CG-CG2 4.41Å; P96-T369 WeakPolarHBondContact O-CB 3.48Å; P96-T369 VanDerWaalsContact O-O 3.12Å; P96-W375 HydrophobicContact CG-CB 4.29Å |
| 97 | I | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | -21.9 | 167.8 | 59.1 | 166.4 | 0 | 0 | 0 | 112.6 | L77 I299 T301 V308 Y311 L315 | L77-I97 HydrophobicContact CD2-CD1 3.6Å; I97-I299 HydrophobicContact CD1-CG2 4.41Å; I97-I299 HydrophobicContact CG1-CB 4.47Å; I97-I299 HydrophobicContact CG1-CG2 4.23Å; I97-I299 PolarHBondContact N-O 2.99Å; I97-T301 HydrophobicContact CG2-CG2 3.54Å; I97-V308 HydrophobicContact CG2-CB 3.87Å; I97-V308 HydrophobicContact CG2-CG1 3.77Å; I97-V308 HydrophobicContact CG2-CG2 4.24Å; I97-Y311 HydrophobicContact CD1-CD2 4.5Å; I97-L315 HydrophobicContact CD1-CD1 4.04Å |
| 98 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | I299 L315 I361 Y362 I363 | A98-I299 HydrophobicContact CB-CB 4.16Å; A98-I299 HydrophobicContact CB-CD1 3.96Å; A98-I299 HydrophobicContact CB-CG1 4.4Å; A98-I299 PolarHBondContact O-N 3.23Å; A98-L315 HydrophobicContact CB-CD1 3.84Å; A98-I361 HydrophobicContact CB-CG2 3.64Å; A98-Y362 WeakPolarHBondContact CA-O 3.48Å; A98-I363 HydrophobicContact CB-CD1 3.45Å; A98-I363 VanDerWaalsContact CB-CD1 3.45Å |
| 99 | V | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 154.6 | 174.2 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | L113 R297 M298 Y362 W375 | V99-L113 HydrophobicContact CG2-CD2 4.29Å; V99-R297 WeakPolarHBondContact CA-O 3.28Å; V99-M298 HydrophobicContact CG1-CB 4.3Å; V99-M298 HydrophobicContact CG1-CG 3.89Å; V99-Y362 HydrophobicContact CG2-CD1 3.88Å; V99-Y362 HydrophobicContact CG2-CG 4.46Å; V99-Y362 PolarHBondContact N-O 3.43Å; V99-Y362 PolarHBondContact O-N 2.93Å; V99-W375 HydrophobicContact CB-CZ2 3.99Å; V99-W375 HydrophobicContact CG1-CD2 4.3Å; V99-W375 VanDerWaalsContact CG1-CE2 3.42Å; V99-W375 HydrophobicContact CG1-CH2 4.43Å; V99-W375 HydrophobicContact CG1-CZ2 3.5Å; V99-W375 HydrophobicContact CG2-CH2 3.79Å; V99-W375 HydrophobicContact CG2-CZ2 3.42Å; V99-W375 VanDerWaalsContact CG2-CZ2 3.42Å |
| 100 | E | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 140.1 | 171.6 | -65.3 | -174.9 | -168.6 | 0 | 0 | 111 | N79 Y102 S296 R297 S355 T358 | N79-E100 PolarHBondContact ND2-OE1 3.24Å; E100-Y102 HydrophobicContact CB-CE1 4.07Å; E100-Y102 WeakPolarHBondContact OE2-CE1 3.35Å; E100-S296 WeakPolarHBondContact O-CB 3.38Å; E100-S296 PolarHBondContact O-OG 3.18Å; E100-R297 HydrophobicContact CG-CB 4.21Å; E100-R297 PolarHBondContact N-O 2.93Å; E100-S355 PolarHBondContact OE1-N 3.24Å; E100-S355 WeakPolarHBondContact OE2-CB 3.49Å; E100-T358 HydrophobicContact CB-CG2 3.97Å; E100-T358 HydrophobicContact CG-CG2 4.08Å; E100-T358 PolarHBondContact OE2-OG1 2.93Å |
| 101 | N | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.5 | 170 | -176.2 | 4.6 | 0 | 0 | 0 | 108.8 | A103 S105 N106 N112 L113 K359 S360 | N101-A103 VanDerWaalsContact CG-O 3.29Å; N101-A103 PolarHBondContact ND2-O 3.3Å; N101-A103 PolarHBondContact O-N 3.5Å; N101-A103 WeakPolarHBondContact OD1-CB 3.28Å; N101-A103 PolarHBondContact OD1-N 2.83Å; N101-A103 PolarHBondContact OD1-O 3.06Å; N101-S105 PolarHBondContact ND2-O 3.29Å; N101-N106 PolarHBondContact ND2-OD1 3.05Å; N101-N112 PolarHBondContact OD1-N 2.87Å; N101-N112 PolarHBondContact OD1-O 3.17Å; N101-L113 HydrophobicContact CB-CD2 3.73Å; N101-K359 PolarHBondContact O-N 2.87Å; N101-S360 WeakPolarHBondContact CA-O 3.49Å; N101-S360 WeakPolarHBondContact CB-O 3.15Å; N101-S360 PolarHBondContact N-O 3.1Å; N101-S360 PolarHBondContact O-N 3.32Å; N101-S360 VanDerWaalsContact O-N 3.1Å |
| 102 | Y | 96.9 | Very high | 95.7 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 7% | 0.071 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -80.6 | 5.4 | 178.8 | -48.6 | -51.4 | 0 | 0 | 0 | 112.5 | E100 N112 Y114 Y115 R249 F357 | E100-Y102 HydrophobicContact CB-CE1 4.07Å; E100-Y102 WeakPolarHBondContact OE2-CE1 3.35Å; Y102-N112 WeakPolarHBondContact CD2-O 3.03Å; Y102-N112 PolarHBondContact N-O 2.84Å; Y102-Y114 WeakPolarHBondContact CD2-O 3.42Å; Y102-Y115 HydrophobicContact CE2-CD1 4.02Å; Y102-R249 PolarHBondContact OH-NH1 2.85Å; Y102-R249 PolarHBondContact OH-NH2 2.81Å; Y102-F357 HydrophobicContact CD1-CB 3.91Å; Y102-F357 HydrophobicContact CE1-CB 4.33Å |
| 103 | A | 96.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -116 | 152.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N101 S105 A110 N112 | N101-A103 VanDerWaalsContact CG-O 3.29Å; N101-A103 PolarHBondContact ND2-O 3.3Å; N101-A103 PolarHBondContact O-N 3.5Å; N101-A103 WeakPolarHBondContact OD1-CB 3.28Å; N101-A103 PolarHBondContact OD1-N 2.83Å; N101-A103 PolarHBondContact OD1-O 3.06Å; A103-S105 VanDerWaalsContact C-N 3.3Å; A103-S105 PolarHBondContact O-N 3.37Å; A103-A110 WeakPolarHBondContact CB-O 3.49Å; A103-N112 HydrophobicContact CB-CB 4.02Å |
| 104 | I | 94 | Very high | 95.9 | Very high | 109 Ų | 109 | 41.5 Ų | 41.5 | 56% | 0.559 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -65.2 | -36.3 | -178.6 | -63.8 | 170.1 | 0 | 0 | 0 | 111.2 | K359 | I104-K359 HydrophobicContact CG1-CB 3.98Å; I104-K359 HydrophobicContact CG1-CG 4.45Å |
| 105 | S | 94.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 38% | 0.378 | 23% | 0.232 | S | C | . | . | trans | -95.5 | 132.5 | -174.6 | -177.7 | 0 | 0 | 0 | 0 | 112 | N101 A103 A107 | N101-S105 PolarHBondContact ND2-O 3.29Å; A103-S105 VanDerWaalsContact C-N 3.3Å; A103-S105 PolarHBondContact O-N 3.37Å; S105-A107 VanDerWaalsContact OG-CB 3.27Å; S105-A107 WeakPolarHBondContact OG-CB 3.01Å; S105-A107 PolarHBondContact OG-N 3.28Å; S105-A107 VanDerWaalsContact OG-N 3.1Å | ||
| 106 | N | 94.1 | Very high | 95.9 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 28% | 0.283 | 24% | 0.237 | S | C | . | . | trans | -85.5 | 10.2 | 168.8 | -72.8 | -23.5 | 0 | 0 | 0 | 112.7 | N101 R111 S360 I361 Y362 | N101-N106 PolarHBondContact ND2-OD1 3.05Å; N106-R111 VanDerWaalsContact O-CZ 3.29Å; N106-R111 PolarHBondContact O-NE 3.01Å; N106-R111 PolarHBondContact O-NH2 3.42Å; N106-S360 PolarHBondContact ND2-OG 3.23Å; N106-I361 PolarHBondContact ND2-O 3.05Å; N106-Y362 HydrophobicContact CB-CD2 4.26Å | ||
| 107 | A | 93.9 | Very high | 95.9 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -67 | 137 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S105 N109 A110 R111 | S105-A107 VanDerWaalsContact OG-CB 3.27Å; S105-A107 WeakPolarHBondContact OG-CB 3.01Å; S105-A107 PolarHBondContact OG-N 3.28Å; S105-A107 VanDerWaalsContact OG-N 3.1Å; A107-N109 VanDerWaalsContact C-N 3.26Å; A107-N109 PolarHBondContact O-N 2.82Å; A107-A110 HydrophobicContact CB-CB 4.28Å; A107-A110 PolarHBondContact O-N 2.6Å; A107-R111 WeakPolarHBondContact O-CG 3.22Å; A107-R111 PolarHBondContact O-N 2.91Å |
| 108 | P | 91.8 | Very high | 96 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 62% | 0.623 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -40.6 | -172.7 | -31.2 | 35.2 | 0 | 0 | 0 | 115.8 | A110 | P108-A110 VanDerWaalsContact C-N 3.34Å; P108-A110 PolarHBondContact O-N 3.3Å |
| 109 | N | 93.5 | Very high | 96 | Very high | 170 Ų | 170 | 42.8 Ų | 42.8 | 91% | 0.909 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -1.4 | -177.9 | -61.3 | -17.5 | 0 | 0 | 0 | 114.3 | A107 | A107-N109 VanDerWaalsContact C-N 3.26Å; A107-N109 PolarHBondContact O-N 2.82Å |
| 110 | A | 94.9 | Very high | 96 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -5.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A103 A107 P108 | A103-A110 WeakPolarHBondContact CB-O 3.49Å; A107-A110 HydrophobicContact CB-CB 4.28Å; A107-A110 PolarHBondContact O-N 2.6Å; P108-A110 VanDerWaalsContact C-N 3.34Å; P108-A110 PolarHBondContact O-N 3.3Å |
| 111 | R | 95.6 | Very high | 96 | Very high | 76 Ų | 76 | 43.3 Ų | 43.3 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | trans | -70 | 146.1 | -179.9 | -67.2 | 164.8 | -166.4 | 176.8 | -0.9 | 111 | N106 A107 L113 Y362 | N106-R111 VanDerWaalsContact O-CZ 3.29Å; N106-R111 PolarHBondContact O-NE 3.01Å; N106-R111 PolarHBondContact O-NH2 3.42Å; A107-R111 WeakPolarHBondContact O-CG 3.22Å; A107-R111 PolarHBondContact O-N 2.91Å; R111-L113 HydrophobicContact CB-CD1 4.44Å; R111-L113 HydrophobicContact CB-CD2 4.23Å; R111-L113 HydrophobicContact CB-CG 3.99Å; R111-Y362 PolarHBondContact NH1-OH 2.68Å | ||
| 112 | N | 96.7 | Very high | 96 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | trans | -125.7 | 95.9 | 165 | -174.5 | 7.6 | 0 | 0 | 0 | 108.9 | N101 Y102 A103 Y114 | N101-N112 PolarHBondContact OD1-N 2.87Å; N101-N112 PolarHBondContact OD1-O 3.17Å; Y102-N112 WeakPolarHBondContact CD2-O 3.03Å; Y102-N112 PolarHBondContact N-O 2.84Å; A103-N112 HydrophobicContact CB-CB 4.02Å; N112-Y114 PolarHBondContact OD1-O 2.88Å | ||
| 113 | L | 96.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | trans | -110.1 | 26.7 | -173.6 | -51.5 | -177.2 | 0 | 0 | 0 | 112.3 | V99 N101 R111 P295 S296 Y362 W375 | V99-L113 HydrophobicContact CG2-CD2 4.29Å; N101-L113 HydrophobicContact CB-CD2 3.73Å; R111-L113 HydrophobicContact CB-CD1 4.44Å; R111-L113 HydrophobicContact CB-CD2 4.23Å; R111-L113 HydrophobicContact CB-CG 3.99Å; L113-P295 CarbonylContact O-C 3.25Å; L113-P295 WeakPolarHBondContact O-CA 3.33Å; L113-S296 PolarHBondContact O-N 2.92Å; L113-Y362 HydrophobicContact CD1-CD1 3.63Å; L113-Y362 HydrophobicContact CD1-CE1 4.05Å; L113-Y362 HydrophobicContact CD1-CG 4.5Å; L113-Y362 HydrophobicContact CD2-CD1 4.33Å; L113-W375 HydrophobicContact CD1-CH2 3.94Å; L113-W375 HydrophobicContact CD1-CZ2 4.32Å | ||
| 114 | Y | 95.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 33% | 0.333 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.8 | 180 | 63.1 | -91.8 | 0 | 0 | 0 | 111.5 | Y102 N112 Y116 K293 I294 | Y102-Y114 WeakPolarHBondContact CD2-O 3.42Å; N112-Y114 PolarHBondContact OD1-O 2.88Å; Y114-Y116 HydrophobicContact CD2-CE2 4.42Å; Y114-Y116 HydrophobicContact CE2-CE2 4.07Å; Y114-Y116 AromaticContact CE2-CZ 3.88Å; Y114-K293 HydrophobicContact CD2-CD 4.15Å; Y114-K293 HydrophobicContact CD2-CG 3.93Å; Y114-K293 HydrophobicContact CG-CD 4.27Å; Y114-K293 HydrophobicContact CG-CG 4.16Å; Y114-I294 CarbonylContact C-O 3.46Å; Y114-I294 WeakPolarHBondContact CA-O 3.47Å; Y114-I294 VanDerWaalsContact CB-O 3.23Å; Y114-I294 WeakPolarHBondContact CB-O 3.36Å |
| 115 | Y | 96.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 177.8 | 170.6 | 64 | -90.8 | 0 | 0 | 0 | 108.8 | D81 Y102 E146 R249 I294 P295 | D81-Y115 PolarHBondContact OD2-OH 2.91Å; Y102-Y115 HydrophobicContact CE2-CD1 4.02Å; Y115-E146 HydrophobicContact CE2-CB 4.1Å; Y115-E146 HydrophobicContact CE2-CG 4.49Å; Y115-E146 PolarHBondContact OH-OE2 2.68Å; Y115-R249 HydrophobicContact CD2-CB 3.87Å; Y115-R249 HydrophobicContact CD2-CG 3.46Å; Y115-R249 VanDerWaalsContact CD2-CG 3.46Å; Y115-R249 HydrophobicContact CE2-CB 3.94Å; Y115-R249 HydrophobicContact CE2-CG 3.99Å; Y115-R249 HydrophobicContact CG-CG 4.02Å; Y115-I294 HydrophobicContact CD2-CB 4.35Å; Y115-I294 HydrophobicContact CD2-CD1 4.31Å; Y115-I294 HydrophobicContact CE1-CB 4.12Å; Y115-I294 HydrophobicContact CE1-CG2 3.97Å; Y115-I294 HydrophobicContact CE2-CB 3.92Å; Y115-I294 HydrophobicContact CE2-CD1 3.54Å; Y115-I294 HydrophobicContact CE2-CG1 4.3Å; Y115-I294 HydrophobicContact CE2-CG2 4.27Å; Y115-I294 PolarHBondContact N-O 3.24Å; Y115-I294 PolarHBondContact O-N 3Å; Y115-I294 WeakPolarHBondContact OH-CG2 3.48Å; Y115-P295 VanDerWaalsContact CE1-O 3.22Å; Y115-P295 WeakPolarHBondContact CE1-O 3.34Å |
| 116 | Y | 97.4 | Very high | 95.7 | Very high | 43 Ų | 43 | 51 Ų | 51 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.1 | -178 | -62.7 | -74.1 | 0 | 0 | 0 | 112.2 | Y114 R249 D250 A287 N290 G292 K293 | Y114-Y116 HydrophobicContact CD2-CE2 4.42Å; Y114-Y116 HydrophobicContact CE2-CE2 4.07Å; Y114-Y116 AromaticContact CE2-CZ 3.88Å; Y116-R249 WeakPolarHBondContact O-CA 3.31Å; Y116-D250 PolarHBondContact N-OD1 2.74Å; Y116-D250 VanDerWaalsContact N-OD1 3.07Å; Y116-D250 PolarHBondContact O-N 3.1Å; Y116-A287 HydrophobicContact CE2-CB 4.31Å; Y116-N290 HydrophobicContact CD1-CB 3.88Å; Y116-N290 VanDerWaalsContact CD1-CG 3.45Å; Y116-N290 HydrophobicContact CG-CB 4.09Å; Y116-G292 CarbonylContact C-O 3.59Å; Y116-G292 VanDerWaalsContact CA-O 3.31Å; Y116-G292 WeakPolarHBondContact CA-O 3.36Å; Y116-K293 HydrophobicContact CD1-CB 4.17Å; Y116-K293 HydrophobicContact CD1-CG 4.43Å; Y116-K293 HydrophobicContact CE1-CB 4.01Å; Y116-K293 HydrophobicContact CE1-CG 4.04Å |
| 117 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 131.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E146 M150 N290 W291 G292 I294 | A117-E146 HydrophobicContact CB-CB 4.1Å; A117-M150 HydrophobicContact CB-CB 3.78Å; A117-M150 HydrophobicContact CB-CG 4.1Å; A117-N290 CarbonylContact O-C 3.52Å; A117-N290 WeakPolarHBondContact O-CA 3.26Å; A117-N290 WeakPolarHBondContact O-CB 3.4Å; A117-W291 HydrophobicContact CB-CB 4.2Å; A117-W291 PolarHBondContact O-N 2.92Å; A117-G292 PolarHBondContact N-O 3.07Å; A117-I294 HydrophobicContact CB-CD1 3.71Å |
| 118 | V | 98.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 155.6 | 177.7 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | L248 D250 I253 L268 N290 | V118-L248 HydrophobicContact CG2-CD1 4.43Å; V118-L248 HydrophobicContact CG2-CG 4.47Å; V118-L248 WeakPolarHBondContact CG2-O 3.41Å; V118-L248 PolarHBondContact N-O 3.26Å; V118-L248 PolarHBondContact O-N 2.76Å; V118-L248 VanDerWaalsContact O-N 3.09Å; V118-L248 VanDerWaalsContact O-O 3.11Å; V118-D250 HydrophobicContact CG1-CB 3.74Å; V118-D250 HydrophobicContact CG2-CB 4.13Å; V118-I253 HydrophobicContact CG2-CD1 4.19Å; V118-L268 HydrophobicContact CB-CD2 4.16Å; V118-L268 HydrophobicContact CG1-CD2 4.41Å; V118-L268 HydrophobicContact CG2-CD2 4.38Å; V118-N290 HydrophobicContact CG1-CB 4.43Å |
| 119 | M | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.8 | 164.1 | -71.5 | -167.5 | -171.3 | 0 | 0 | 108.3 | P151 L155 V245 A246 F247 L268 L269 W291 | M119-P151 HydrophobicContact CE-CB 3.24Å; M119-L155 HydrophobicContact CE-CD1 4.09Å; M119-V245 HydrophobicContact CB-CG1 3.62Å; M119-V245 HydrophobicContact CG-CG1 4.02Å; M119-V245 HydrophobicContact SD-CG1 4Å; M119-A246 WeakPolarHBondContact CA-O 3.18Å; M119-F247 HydrophobicContact CB-CD1 4.46Å; M119-F247 HydrophobicContact CE-CD1 3.82Å; M119-F247 HydrophobicContact CE-CD2 4.29Å; M119-F247 HydrophobicContact CE-CE1 3.42Å; M119-F247 VanDerWaalsContact CE-CE1 3.42Å; M119-F247 HydrophobicContact CE-CE2 3.9Å; M119-F247 HydrophobicContact CE-CG 4.26Å; M119-F247 HydrophobicContact CE-CZ 3.46Å; M119-F247 VanDerWaalsContact CE-CZ 3.46Å; M119-F247 HydrophobicContact CG-CD1 3.56Å; M119-F247 HydrophobicContact CG-CE1 3.82Å; M119-F247 HydrophobicContact CG-CG 4.35Å; M119-F247 HydrophobicContact SD-CD1 3.8Å; M119-F247 HydrophobicContact SD-CE1 3.37Å; M119-F247 WeakPolarHBondContact SD-CE1 3.1Å; M119-F247 HydrophobicContact SD-CZ 3.99Å; M119-L268 CarbonylContact O-C 3.5Å; M119-L268 WeakPolarHBondContact O-CA 3.3Å; M119-L269 HydrophobicContact CB-CB 3.95Å; M119-L269 HydrophobicContact CB-CD2 4.46Å; M119-L269 PolarHBondContact O-N 2.84Å; M119-L269 HydrophobicContact SD-CD2 4.17Å; M119-W291 HydrophobicContact CE-CD2 3.71Å; M119-W291 HydrophobicContact CE-CE3 3.69Å; M119-W291 HydrophobicContact CE-CH2 3.48Å; M119-W291 VanDerWaalsContact CE-CH2 3.48Å; M119-W291 HydrophobicContact CE-CZ2 3.55Å; M119-W291 HydrophobicContact CE-CZ3 3.57Å; M119-W291 HydrophobicContact CG-CD2 4.13Å; M119-W291 HydrophobicContact CG-CG 4.26Å; M119-W291 HydrophobicContact CG-CZ2 4.03Å; M119-W291 HydrophobicContact SD-CD2 4.11Å; M119-W291 HydrophobicContact SD-CH2 3.69Å; M119-W291 HydrophobicContact SD-CZ2 3.2Å; M119-W291 WeakPolarHBondContact SD-CZ2 3.45Å; M119-W291 HydrophobicContact SD-CZ3 4.36Å |
| 120 | I | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.4 | 176.4 | -170.4 | 175.6 | 0 | 0 | 0 | 109.8 | L227 L230 V245 A246 L248 I253 F261 Y266 E267 I283 | I120-L227 HydrophobicContact CD1-CD2 4.39Å; I120-L227 HydrophobicContact CG2-CD2 3.95Å; I120-L230 HydrophobicContact CG2-CD2 3.97Å; I120-V245 CarbonylContact O-C 3.54Å; I120-V245 VanDerWaalsContact O-CA 3.25Å; I120-V245 WeakPolarHBondContact O-CA 3.28Å; I120-V245 WeakPolarHBondContact O-CG1 3.45Å; I120-A246 HydrophobicContact CG2-CB 3.88Å; I120-A246 PolarHBondContact N-O 3Å; I120-A246 PolarHBondContact O-N 2.92Å; I120-L248 HydrophobicContact CG2-CD2 3.75Å; I120-I253 HydrophobicContact CD1-CD1 3.99Å; I120-I253 HydrophobicContact CD1-CG1 4.21Å; I120-I253 HydrophobicContact CD1-CG2 4.24Å; I120-F261 HydrophobicContact CD1-CE1 4.16Å; I120-F261 HydrophobicContact CD1-CZ 4.33Å; I120-Y266 HydrophobicContact CD1-CD1 4.41Å; I120-Y266 HydrophobicContact CD1-CG 4.06Å; I120-Y266 HydrophobicContact CG1-CD1 4.32Å; I120-Y266 HydrophobicContact CG1-CG 4.31Å; I120-E267 WeakPolarHBondContact CA-O 3.22Å; I120-I283 HydrophobicContact CD1-CD1 4.22Å; I120-I283 HydrophobicContact CD1-CG1 4.47Å |
| 121 | K | 97.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.9 | -179.8 | 53.1 | 169.1 | -78.4 | -136.8 | 0 | 111.1 | I125 A244 V245 Y266 E267 L269 T280 | K121-I125 WeakPolarHBondContact CE-O 3.39Å; K121-I125 PolarHBondContact NZ-O 3.06Å; K121-A244 VanDerWaalsContact CB-O 3.26Å; K121-A244 WeakPolarHBondContact CB-O 3.31Å; K121-V245 HydrophobicContact CB-CG2 4.35Å; K121-Y266 WeakPolarHBondContact O-CA 3.4Å; K121-E267 HydrophobicContact CD-CG 4.3Å; K121-E267 WeakPolarHBondContact CE-OE1 3.14Å; K121-E267 HydrophobicContact CG-CG 3.93Å; K121-E267 PolarHBondContact N-O 2.88Å; K121-E267 IonicContact NZ-OE1 3.96Å; K121-E267 PolarHBondContact NZ-OE1 2.89Å; K121-E267 PolarHBondContact O-N 3.1Å; K121-L269 HydrophobicContact CD-CB 4.16Å; K121-L269 HydrophobicContact CD-CD1 4.25Å; K121-L269 HydrophobicContact CG-CB 4.21Å; K121-T280 HydrophobicContact CD-CG2 4.03Å |
| 122 | P | 97.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.071 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 142.3 | 170.1 | -15.7 | 28.3 | 0 | 0 | 0 | 111.1 | I125 L230 T234 A244 Y266 | P122-I125 HydrophobicContact CB-CG1 3.91Å; P122-I125 HydrophobicContact CG-CG1 4.13Å; P122-I125 PolarHBondContact O-N 3.27Å; P122-L230 HydrophobicContact CG-CD1 4.32Å; P122-T234 HydrophobicContact CB-CG2 4.23Å; P122-T234 HydrophobicContact CG-CG2 4.09Å; P122-A244 VanDerWaalsContact CD-O 3.3Å; P122-A244 WeakPolarHBondContact CD-O 3.5Å; P122-Y266 HydrophobicContact CB-CD1 4.32Å; P122-Y266 HydrophobicContact CB-CE1 4.2Å; P122-Y266 HydrophobicContact CG-CD1 4.26Å; P122-Y266 HydrophobicContact CG-CE1 3.91Å |
| 123 | I | 96.3 | Very high | 95.7 | Very high | 99 Ų | 99 | 42.4 Ų | 42.4 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 138.2 | 175.8 | -66.7 | 171.6 | 0 | 0 | 0 | 109.8 | I125 E264 N265 E267 | I123-I125 VanDerWaalsContact C-N 3.32Å; I123-I125 PolarHBondContact O-N 2.03Å; I123-E264 WeakPolarHBondContact CD1-O 2.91Å; I123-N265 PolarHBondContact N-O 2.52Å; I123-E267 HydrophobicContact CG1-CB 4.21Å; I123-E267 HydrophobicContact CG1-CG 4.12Å |
| 124 | G | 93.5 | Very high | 95.7 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 74% | 0.742 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -11.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S126 | G124-S126 PolarHBondContact O-N 3.35Š|
| 125 | I | 93.6 | Very high | 95.7 | Very high | 73 Ų | 73 | 43.1 Ų | 43.1 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | trans | -73.1 | 122.8 | 170.5 | -63.3 | -63.9 | 0 | 0 | 0 | 109.5 | K121 P122 I123 V127 A244 | K121-I125 WeakPolarHBondContact CE-O 3.39Å; K121-I125 PolarHBondContact NZ-O 3.06Å; P122-I125 HydrophobicContact CB-CG1 3.91Å; P122-I125 HydrophobicContact CG-CG1 4.13Å; P122-I125 PolarHBondContact O-N 3.27Å; I123-I125 VanDerWaalsContact C-N 3.32Å; I123-I125 PolarHBondContact O-N 2.03Å; I125-V127 VanDerWaalsContact C-N 3.3Å; I125-V127 HydrophobicContact CG2-CB 4.15Å; I125-V127 HydrophobicContact CG2-CG2 3.73Å; I125-V127 PolarHBondContact O-N 3.44Å; I125-A244 HydrophobicContact CG2-CB 4.31Å | ||
| 126 | S | 93.2 | Very high | 95.7 | Very high | 108 Ų | 108 | 44.8 Ų | 44.8 | 76% | 0.755 | 26% | 0.259 | S | S | * | . | trans | -81 | 74.5 | 178.8 | -179.8 | 0 | 0 | 0 | 0 | 111 | G124 | G124-S126 PolarHBondContact O-N 3.35Š| ||
| 127 | V | 95.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -128.3 | 138.4 | 174.7 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | I125 N131 L132 K135 A244 V245 L269 | I125-V127 VanDerWaalsContact C-N 3.3Å; I125-V127 HydrophobicContact CG2-CB 4.15Å; I125-V127 HydrophobicContact CG2-CG2 3.73Å; I125-V127 PolarHBondContact O-N 3.44Å; V127-N131 VanDerWaalsContact CA-OD1 3.28Å; V127-N131 WeakPolarHBondContact CA-OD1 3.32Å; V127-L132 HydrophobicContact CG1-CD2 3.4Å; V127-L132 VanDerWaalsContact CG1-CD2 3.4Å; V127-L132 HydrophobicContact CG1-CG 4.25Å; V127-K135 HydrophobicContact CG2-CD 4.31Å; V127-K135 HydrophobicContact CG2-CG 4.26Å; V127-A244 HydrophobicContact CG2-CB 3.96Å; V127-V245 HydrophobicContact CG1-CG2 3.9Å; V127-L269 HydrophobicContact CG1-CD2 4.27Å | ||
| 128 | D | 95.2 | Very high | 95.8 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 17% | 0.171 | 25% | 0.252 | C | S | . | . | trans | -137.2 | 169.7 | 173 | 68.7 | 57.5 | 0 | 0 | 0 | 109.9 | T130 N131 W279 | D128-T130 PolarHBondContact O-N 3.46Å; D128-T130 WeakPolarHBondContact OD1-CA 3.28Å; D128-T130 VanDerWaalsContact OD1-CB 3.32Å; D128-T130 WeakPolarHBondContact OD1-CB 3.3Å; D128-T130 PolarHBondContact OD1-N 2.85Å; D128-T130 PolarHBondContact OD1-OG1 2.89Å; D128-N131 PolarHBondContact N-OD1 3.09Å; D128-N131 PolarHBondContact O-N 2.86Å; D128-N131 VanDerWaalsContact O-N 3.15Å; D128-N131 PolarHBondContact O-OD1 2.85Å; D128-N131 PolarHBondContact OD1-N 2.98Å; D128-N131 PolarHBondContact OD2-ND2 3.09Å; D128-N131 VanDerWaalsContact OD2-ND2 3.13Å; D128-W279 HydrophobicContact CB-CB 4.15Å; D128-W279 HydrophobicContact CB-CD2 4.27Å; D128-W279 HydrophobicContact CB-CG 3.81Å | ||
| 129 | P | 93.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.4 | -175.8 | -25.5 | 38.2 | 0 | 0 | 0 | 115 | L159 L269 C270 W279 W291 | P129-L159 HydrophobicContact CB-CD1 3.5Å; P129-L159 VanDerWaalsContact CB-CD1 3.5Å; P129-L269 HydrophobicContact CG-CD1 4.45Å; P129-C270 WeakPolarHBondContact CG-O 3.31Å; P129-W279 HydrophobicContact CB-CZ3 4.47Å; P129-W279 VanDerWaalsContact CD-CE3 3.45Å; P129-W279 HydrophobicContact CG-CD2 4.46Å; P129-W279 HydrophobicContact CG-CE3 3.68Å; P129-W279 HydrophobicContact CG-CZ3 3.81Å; P129-W291 HydrophobicContact CB-CH2 3.9Å; P129-W291 HydrophobicContact CB-CZ2 4.3Å; P129-W291 HydrophobicContact CG-CH2 4.14Å; P129-W291 HydrophobicContact CG-CZ2 4.04Å |
| 130 | T | 90.3 | Very high | 95.7 | Very high | 93 Ų | 93 | 43 Ų | 43 | 57% | 0.571 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -13.5 | -177.3 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | D128 W279 | D128-T130 PolarHBondContact O-N 3.46Å; D128-T130 WeakPolarHBondContact OD1-CA 3.28Å; D128-T130 VanDerWaalsContact OD1-CB 3.32Å; D128-T130 WeakPolarHBondContact OD1-CB 3.3Å; D128-T130 PolarHBondContact OD1-N 2.85Å; D128-T130 PolarHBondContact OD1-OG1 2.89Å; T130-W279 HydrophobicContact CG2-CZ2 4.47Å |
| 131 | N | 94.1 | Very high | 95.7 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | trans | -123.8 | 22.6 | -174.2 | 71 | 19.8 | 0 | 0 | 0 | 114.5 | V127 D128 R133 | V127-N131 VanDerWaalsContact CA-OD1 3.28Å; V127-N131 WeakPolarHBondContact CA-OD1 3.32Å; D128-N131 PolarHBondContact N-OD1 3.09Å; D128-N131 PolarHBondContact O-N 2.86Å; D128-N131 VanDerWaalsContact O-N 3.15Å; D128-N131 PolarHBondContact O-OD1 2.85Å; D128-N131 PolarHBondContact OD1-N 2.98Å; D128-N131 PolarHBondContact OD2-ND2 3.09Å; D128-N131 VanDerWaalsContact OD2-ND2 3.13Å; N131-R133 PolarHBondContact O-N 2.8Å | ||
| 132 | L | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -68.7 | -10.3 | 174.9 | -71.7 | 170.3 | 0 | 0 | 0 | 114.1 | V127 G134 K135 L155 Y177 V245 | V127-L132 HydrophobicContact CG1-CD2 3.4Å; V127-L132 VanDerWaalsContact CG1-CD2 3.4Å; V127-L132 HydrophobicContact CG1-CG 4.25Å; L132-G134 PolarHBondContact O-N 2.83Å; L132-K135 VanDerWaalsContact O-CB 3.31Å; L132-K135 WeakPolarHBondContact O-CB 3.21Å; L132-K135 PolarHBondContact O-N 2.91Å; L132-L155 HydrophobicContact CD1-CD1 3.98Å; L132-L155 HydrophobicContact CD1-CD2 3.78Å; L132-Y177 HydrophobicContact CB-CE1 3.91Å; L132-V245 HydrophobicContact CD2-CG2 3.77Å | ||
| 133 | R | 95.6 | Very high | 95.6 | Very high | 167 Ų | 167 | 42 Ų | 42 | 63% | 0.63 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 127.4 | 179.8 | -169.5 | 177.7 | -176.1 | 138.3 | 2.7 | 110.9 | N131 K135 Y177 | N131-R133 PolarHBondContact O-N 2.8Å; R133-K135 PolarHBondContact O-N 2.91Å; R133-Y177 CarbonylContact C-O 3.32Å; R133-Y177 WeakPolarHBondContact CA-O 3.49Å; R133-Y177 HydrophobicContact CB-CD2 4.09Å; R133-Y177 HydrophobicContact CB-CE2 3.55Å; R133-Y177 HydrophobicContact CG-CD2 3.92Å; R133-Y177 HydrophobicContact CG-CE2 3.87Å; R133-Y177 WeakPolarHBondContact CG-O 3.37Å; R133-Y177 PolarHBondContact N-OH 3.42Å |
| 134 | G | 95.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 38 Ų | 38 | 54% | 0.536 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 12.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L132 Y177 L178 | L132-G134 PolarHBondContact O-N 2.83Å; G134-Y177 PolarHBondContact N-O 3Å; G134-L178 CarbonylContact C-O 3.59Å; G134-L178 VanDerWaalsContact CA-O 3.28Å; G134-L178 WeakPolarHBondContact CA-O 3.33Å |
| 135 | K | 96.4 | Very high | 95.8 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 35% | 0.352 | 19% | 0.192 | S | C | . | . | trans | -93.4 | 137.1 | 173.6 | -59.7 | -58.3 | -176.5 | -176.3 | 0 | 109.7 | V127 L132 R133 A244 | V127-K135 HydrophobicContact CG2-CD 4.31Å; V127-K135 HydrophobicContact CG2-CG 4.26Å; L132-K135 VanDerWaalsContact O-CB 3.31Å; L132-K135 WeakPolarHBondContact O-CB 3.21Å; L132-K135 PolarHBondContact O-N 2.91Å; R133-K135 PolarHBondContact O-N 2.91Å; K135-A244 HydrophobicContact CB-CB 4.14Å; K135-A244 HydrophobicContact CG-CB 4.49Å | ||
| 136 | E | 97 | Very high | 96 | Very high | 38 Ų | 38 | 31.3 Ų | 31.3 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | trans | -74.3 | 143.7 | 172.4 | -46.9 | 98.1 | 132.7 | 0 | 0 | 110.4 | D180 L204 K242 P243 A244 | E136-D180 WeakPolarHBondContact CA-O 3.21Å; E136-D180 WeakPolarHBondContact CB-O 3.45Å; E136-D180 HydrophobicContact CG-CB 4.2Å; E136-D180 WeakPolarHBondContact CG-O 3.38Å; E136-L204 HydrophobicContact CB-CD1 4.38Å; E136-L204 HydrophobicContact CB-CD2 3.61Å; E136-L204 HydrophobicContact CG-CD1 4.29Å; E136-L204 HydrophobicContact CG-CD2 4.29Å; E136-K242 PolarHBondContact OE1-N 3.36Å; E136-P243 HydrophobicContact CB-CB 4.41Å; E136-P243 CarbonylContact O-C 3.43Å; E136-P243 VanDerWaalsContact O-CA 3.25Å; E136-P243 WeakPolarHBondContact O-CA 3.44Å; E136-A244 PolarHBondContact O-N 2.91Å | ||
| 137 | I | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 160.7 | 177.5 | 68 | 164 | 0 | 0 | 0 | 111.5 | L178 S181 C182 I183 V245 F247 | I137-L178 HydrophobicContact CD1-CD1 3.55Å; I137-L178 HydrophobicContact CG1-CD1 3.9Å; I137-L178 HydrophobicContact CG2-CD2 4.31Å; I137-S181 PolarHBondContact N-OG 3.13Å; I137-C182 PolarHBondContact O-N 2.91Å; I137-I183 HydrophobicContact CD1-CD1 4.2Å; I137-I183 HydrophobicContact CD1-CG1 4.42Å; I137-V245 WeakPolarHBondContact CA-O 3.21Å; I137-V245 HydrophobicContact CG2-CB 4.44Å; I137-F247 HydrophobicContact CB-CE1 4.45Å; I137-F247 HydrophobicContact CB-CZ 4.47Å; I137-F247 HydrophobicContact CD1-CD2 4Å; I137-F247 HydrophobicContact CD1-CE1 4.19Å; I137-F247 HydrophobicContact CD1-CE2 3.41Å; I137-F247 VanDerWaalsContact CD1-CE2 3.41Å; I137-F247 HydrophobicContact CD1-CZ 3.52Å; I137-F247 HydrophobicContact CG2-CE1 4.22Å; I137-F247 HydrophobicContact CG2-CZ 4.18Å |
| 138 | C | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.4 | 168.2 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | A226 C229 L230 V245 A246 F247 | C138-A226 HydrophobicContact CB-CB 4.46Å; C138-A226 WeakPolarHBondContact CB-O 3.08Å; C138-C229 HydrophobicContact CB-CB 3.56Å; C138-C229 WeakPolarHBondContact CB-SG 3.37Å; C138-C229 WeakPolarHBondContact SG-CB 3.45Å; C138-C229 CovalentContact SG-SG 2.04Å; C138-C229 PolarHBondContact SG-SG 2.79Å; C138-L230 PolarHBondContact SG-N 2.88Å; C138-L230 VanDerWaalsContact SG-N 3.36Å; C138-V245 PolarHBondContact N-O 3.46Å; C138-A246 HydrophobicContact CB-CB 4.13Å; C138-A246 CarbonylContact O-C 3.57Å; C138-A246 WeakPolarHBondContact O-CA 3.39Å; C138-F247 PolarHBondContact O-N 2.74Å |
| 139 | S | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 147.8 | -179.9 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | G141 G147 C182 P184 | S139-G141 PolarHBondContact O-N 3.12Å; S139-G141 PolarHBondContact OG-N 2.87Å; S139-G141 VanDerWaalsContact OG-N 3.09Å; S139-G147 PolarHBondContact OG-O 3.24Å; S139-C182 PolarHBondContact N-O 3.33Å; S139-P184 WeakPolarHBondContact O-CD 3.03Å |
| 140 | A | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -59 | -21.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G222 F247 | A140-G222 VanDerWaalsContact O-CA 3.25Å; A140-G222 WeakPolarHBondContact O-CA 3.48Å; A140-G222 PolarHBondContact O-N 3.26Å; A140-F247 PolarHBondContact N-O 3Å; A140-F247 VanDerWaalsContact N-O 3.11Å |
| 141 | G | 97.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | trans | 140 | 152.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S139 T144 P184 | S139-G141 PolarHBondContact O-N 3.12Å; S139-G141 PolarHBondContact OG-N 2.87Å; S139-G141 VanDerWaalsContact OG-N 3.09Å; G141-T144 PolarHBondContact O-N 2.98Å; G141-T144 PolarHBondContact O-OG1 3.07Å; G141-P184 CarbonylContact C-O 3.5Å; G141-P184 WeakPolarHBondContact CA-O 3.44Å | ||
| 142 | A | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 135.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T144 W148 I183 P184 N185 F191 | A142-T144 VanDerWaalsContact C-N 3.29Å; A142-T144 PolarHBondContact O-N 3.16Å; A142-W148 HydrophobicContact CB-CD2 4.08Å; A142-W148 HydrophobicContact CB-CE3 3.76Å; A142-W148 HydrophobicContact CB-CH2 4.12Å; A142-W148 HydrophobicContact CB-CZ2 4.4Å; A142-W148 HydrophobicContact CB-CZ3 3.78Å; A142-I183 HydrophobicContact CB-CG2 4.22Å; A142-P184 PolarHBondContact N-O 3.44Å; A142-N185 HydrophobicContact CB-CB 4.45Å; A142-F191 HydrophobicContact CB-CD2 3.8Å; A142-F191 HydrophobicContact CB-CE1 4.49Å; A142-F191 HydrophobicContact CB-CE2 3.67Å; A142-F191 HydrophobicContact CB-CG 4.28Å; A142-F191 HydrophobicContact CB-CZ 4.07Å |
| 143 | G | 95.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -16.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G83 L84 | G83-G143 CarbonylContact C-O 3.35Å; G83-G143 WeakPolarHBondContact CA-O 3.29Å; L84-G143 PolarHBondContact N-O 3.49Å |
| 144 | T | 97.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 11.3 Ų | 11.3 | 9% | 0.092 | 7% | 0.07 | C | C | . | . | trans | -67.6 | 148.4 | 175.4 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | D81 L84 G141 A142 G147 W148 V149 | D81-T144 WeakPolarHBondContact OD1-CA 3.36Å; L84-T144 HydrophobicContact CD1-CG2 4.33Å; L84-T144 HydrophobicContact CG-CG2 4.48Å; G141-T144 PolarHBondContact O-N 2.98Å; G141-T144 PolarHBondContact O-OG1 3.07Å; A142-T144 VanDerWaalsContact C-N 3.29Å; A142-T144 PolarHBondContact O-N 3.16Å; T144-G147 VanDerWaalsContact OG1-CA 3.22Å; T144-G147 WeakPolarHBondContact OG1-CA 3.07Å; T144-G147 PolarHBondContact OG1-N 2.92Å; T144-G147 VanDerWaalsContact OG1-N 3.1Å; T144-W148 CarbonylContact O-C 3.54Å; T144-W148 WeakPolarHBondContact O-CA 3.32Å; T144-W148 WeakPolarHBondContact O-CB 3.39Å; T144-W148 PolarHBondContact O-N 2.04Å; T144-V149 PolarHBondContact O-N 2.9Å | ||
| 145 | A | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -64.6 | -46.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D81 V82 V149 M150 I294 F380 | D81-A145 WeakPolarHBondContact OD1-CB 3.32Å; D81-A145 PolarHBondContact OD1-N 2.94Å; V82-A145 HydrophobicContact CB-CB 4.38Å; A145-V149 PolarHBondContact O-N 3.4Å; A145-M150 WeakPolarHBondContact O-CB 3.31Å; A145-M150 WeakPolarHBondContact O-CG 3.4Å; A145-M150 PolarHBondContact O-N 3.11Å; A145-I294 HydrophobicContact CB-CB 4.44Å; A145-I294 HydrophobicContact CB-CD1 3.62Å; A145-I294 HydrophobicContact CB-CG1 4.12Å; A145-I294 HydrophobicContact CB-CG2 3.48Å; A145-I294 VanDerWaalsContact CB-CG2 3.48Å; A145-F380 HydrophobicContact CB-CE2 3.63Å; A145-F380 HydrophobicContact CB-CZ 3.76Å |
| 146 | E | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 5.6 Ų | 5.6 | 2% | 0.019 | 3% | 0.03 | C | C | . | . | I | π-helix | trans | -83.9 | -35.6 | -175.6 | 68.4 | -81.7 | -146.9 | 0 | 0 | 114.2 | Y115 A117 P151 N223 R249 I294 | Y115-E146 HydrophobicContact CE2-CB 4.1Å; Y115-E146 HydrophobicContact CE2-CG 4.49Å; Y115-E146 PolarHBondContact OH-OE2 2.68Å; A117-E146 HydrophobicContact CB-CB 4.1Å; E146-P151 WeakPolarHBondContact O-CD 3.22Å; E146-P151 WeakPolarHBondContact O-CG 3.27Å; E146-N223 VanDerWaalsContact CG-OD1 3.32Å; E146-N223 WeakPolarHBondContact CG-OD1 3.04Å; E146-N223 PolarHBondContact OE1-ND2 2.75Å; E146-N223 PolarHBondContact OE1-OD1 3.1Å; E146-R249 HydrophobicContact CB-CB 4.41Å; E146-R249 HydrophobicContact CG-CB 4.01Å; E146-I294 HydrophobicContact CB-CD1 3.81Å |
| 147 | G | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -89 | -15.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S139 T144 | S139-G147 PolarHBondContact OG-O 3.24Å; T144-G147 VanDerWaalsContact OG1-CA 3.22Å; T144-G147 WeakPolarHBondContact OG1-CA 3.07Å; T144-G147 PolarHBondContact OG1-N 2.92Å; T144-G147 VanDerWaalsContact OG1-N 3.1Å |
| 148 | W | 97 | Very high | 96 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.008 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -138.8 | -67.4 | -172 | -176.2 | -91.7 | 0 | 0 | 0 | 113.1 | A142 T144 M150 P151 V152 V170 V171 L174 I183 F191 | A142-W148 HydrophobicContact CB-CD2 4.08Å; A142-W148 HydrophobicContact CB-CE3 3.76Å; A142-W148 HydrophobicContact CB-CH2 4.12Å; A142-W148 HydrophobicContact CB-CZ2 4.4Å; A142-W148 HydrophobicContact CB-CZ3 3.78Å; T144-W148 CarbonylContact O-C 3.54Å; T144-W148 WeakPolarHBondContact O-CA 3.32Å; T144-W148 WeakPolarHBondContact O-CB 3.39Å; T144-W148 PolarHBondContact O-N 2.04Å; W148-M150 PolarHBondContact O-N 3.36Å; W148-P151 WeakPolarHBondContact O-CD 3.17Å; W148-V152 HydrophobicContact CE3-CG2 4.49Å; W148-V152 WeakPolarHBondContact O-CB 3.32Å; W148-V152 VanDerWaalsContact O-CG2 3.27Å; W148-V152 WeakPolarHBondContact O-CG2 3.46Å; W148-V152 PolarHBondContact O-N 2.96Å; W148-V170 HydrophobicContact CH2-CB 4.48Å; W148-V170 HydrophobicContact CH2-CG1 4.03Å; W148-V170 HydrophobicContact CZ2-CB 3.8Å; W148-V170 HydrophobicContact CZ2-CG1 3.49Å; W148-V170 VanDerWaalsContact CZ2-CG1 3.49Å; W148-V171 HydrophobicContact CH2-CG2 3.64Å; W148-V171 HydrophobicContact CZ2-CG2 4.22Å; W148-L174 HydrophobicContact CE3-CD1 4.11Å; W148-L174 HydrophobicContact CH2-CD1 3.45Å; W148-L174 VanDerWaalsContact CH2-CD1 3.45Å; W148-L174 HydrophobicContact CZ2-CD1 4.31Å; W148-L174 HydrophobicContact CZ3-CD1 3.34Å; W148-I183 HydrophobicContact CE3-CG2 3.82Å; W148-I183 HydrophobicContact CZ3-CD1 4.43Å; W148-I183 HydrophobicContact CZ3-CG2 3.68Å; W148-F191 HydrophobicContact CZ2-CD1 4.21Å; W148-F191 HydrophobicContact CZ2-CE1 4.29Å |
| 149 | V | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -59.1 | -54.6 | -167.7 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | T144 A145 G153 F380 A383 L384 L387 | T144-V149 PolarHBondContact O-N 2.9Å; A145-V149 PolarHBondContact O-N 3.4Å; V149-G153 WeakPolarHBondContact O-CA 3.1Å; V149-G153 PolarHBondContact O-N 2.99Å; V149-F380 HydrophobicContact CB-CE2 4.37Å; V149-F380 HydrophobicContact CB-CZ 4.14Å; V149-F380 HydrophobicContact CG1-CE2 4.06Å; V149-F380 HydrophobicContact CG1-CZ 3.84Å; V149-F380 HydrophobicContact CG2-CZ 4.32Å; V149-A383 HydrophobicContact CG1-CB 4.15Å; V149-L384 HydrophobicContact CG1-CD2 3.73Å; V149-L384 HydrophobicContact CG1-CG 4.05Å; V149-L384 HydrophobicContact CG2-CD2 3.94Å; V149-L387 HydrophobicContact CG2-CD2 4.35Å |
| 150 | M | 96.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 20.3 Ų | 20.3 | 8% | 0.084 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.2 | -56.9 | -178.7 | -63.2 | -48 | -62.5 | 0 | 0 | 112.5 | A117 A145 W148 T154 W291 G292 I294 F380 A383 | A117-M150 HydrophobicContact CB-CB 3.78Å; A117-M150 HydrophobicContact CB-CG 4.1Å; A145-M150 WeakPolarHBondContact O-CB 3.31Å; A145-M150 WeakPolarHBondContact O-CG 3.4Å; A145-M150 PolarHBondContact O-N 3.11Å; W148-M150 PolarHBondContact O-N 3.36Å; M150-T154 WeakPolarHBondContact O-CB 3.32Å; M150-T154 PolarHBondContact O-N 3.4Å; M150-T154 VanDerWaalsContact O-N 3.12Å; M150-T154 PolarHBondContact O-OG1 3.38Å; M150-W291 WeakPolarHBondContact CE-O 3.44Å; M150-G292 VanDerWaalsContact CE-CA 3.4Å; M150-I294 HydrophobicContact CG-CD1 3.85Å; M150-I294 HydrophobicContact CG-CG1 3.75Å; M150-F380 HydrophobicContact CG-CE2 4.3Å; M150-F380 HydrophobicContact SD-CD2 3.7Å; M150-F380 HydrophobicContact SD-CE2 3.85Å; M150-A383 HydrophobicContact CE-CB 3.9Å; M150-A383 HydrophobicContact SD-CB 3.46Å; M150-A383 WeakPolarHBondContact SD-CB 3.31Å |
| 151 | P | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.5 | -47.9 | -177 | 23.5 | -34.3 | 0 | 0 | 0 | 113 | M119 E146 W148 T154 L155 F247 W291 | M119-P151 HydrophobicContact CE-CB 3.24Å; E146-P151 WeakPolarHBondContact O-CD 3.22Å; E146-P151 WeakPolarHBondContact O-CG 3.27Å; W148-P151 WeakPolarHBondContact O-CD 3.17Å; P151-T154 PolarHBondContact O-N 3.16Å; P151-L155 WeakPolarHBondContact O-CB 3.5Å; P151-L155 VanDerWaalsContact O-CG 3.27Å; P151-L155 WeakPolarHBondContact O-CG 3.19Å; P151-L155 PolarHBondContact O-N 3.23Å; P151-F247 HydrophobicContact CB-CD2 3.74Å; P151-F247 HydrophobicContact CB-CE2 3.99Å; P151-F247 HydrophobicContact CB-CG 4.2Å; P151-F247 HydrophobicContact CG-CB 4.29Å; P151-F247 HydrophobicContact CG-CD2 3.68Å; P151-F247 HydrophobicContact CG-CE2 4.33Å; P151-F247 HydrophobicContact CG-CG 4.19Å; P151-W291 HydrophobicContact CB-CE3 4.4Å |
| 152 | V | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.5 | -41.4 | -175.2 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | W148 T154 L155 I156 I162 V170 L174 L387 | W148-V152 HydrophobicContact CE3-CG2 4.49Å; W148-V152 WeakPolarHBondContact O-CB 3.32Å; W148-V152 VanDerWaalsContact O-CG2 3.27Å; W148-V152 WeakPolarHBondContact O-CG2 3.46Å; W148-V152 PolarHBondContact O-N 2.96Å; V152-T154 VanDerWaalsContact C-N 3.34Å; V152-T154 PolarHBondContact O-N 2.06Å; V152-L155 PolarHBondContact O-N 3.04Å; V152-I156 HydrophobicContact CG1-CD1 3.64Å; V152-I156 HydrophobicContact CG1-CG1 4.19Å; V152-I156 WeakPolarHBondContact O-CB 3.43Å; V152-I156 WeakPolarHBondContact O-CG1 3.33Å; V152-I156 PolarHBondContact O-N 3.18Å; V152-I162 HydrophobicContact CG1-CD1 4.26Å; V152-V170 HydrophobicContact CG1-CG1 3.77Å; V152-L174 HydrophobicContact CG1-CD1 4.31Å; V152-L174 HydrophobicContact CG1-CD2 4.05Å; V152-L174 HydrophobicContact CG1-CG 4.44Å; V152-L174 HydrophobicContact CG2-CD1 4.27Å; V152-L174 HydrophobicContact CG2-CD2 4.33Å; V152-L387 HydrophobicContact CB-CD1 3.88Å; V152-L387 HydrophobicContact CG1-CD1 3.64Å |
| 153 | G | 94.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V149 S157 | V149-G153 WeakPolarHBondContact O-CA 3.1Å; V149-G153 PolarHBondContact O-N 2.99Å; G153-S157 WeakPolarHBondContact O-CB 3.18Å; G153-S157 PolarHBondContact O-N 3.21Å |
| 154 | T | 94.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -67 | -41.5 | 174.7 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | M150 P151 V152 D158 L159 P271 W291 | M150-T154 WeakPolarHBondContact O-CB 3.32Å; M150-T154 PolarHBondContact O-N 3.4Å; M150-T154 VanDerWaalsContact O-N 3.12Å; M150-T154 PolarHBondContact O-OG1 3.38Å; P151-T154 PolarHBondContact O-N 3.16Å; V152-T154 VanDerWaalsContact C-N 3.34Å; V152-T154 PolarHBondContact O-N 2.06Å; T154-D158 HydrophobicContact CG2-CB 4.12Å; T154-D158 WeakPolarHBondContact O-CB 3.25Å; T154-D158 PolarHBondContact O-N 3.03Å; T154-D158 PolarHBondContact OG1-OD2 3.34Å; T154-L159 HydrophobicContact CG2-CD1 4.13Å; T154-L159 HydrophobicContact CG2-CG 4.15Å; T154-L159 PolarHBondContact O-N 2.97Å; T154-P271 HydrophobicContact CG2-CB 4.4Å; T154-W291 HydrophobicContact CG2-CE3 3.82Å; T154-W291 HydrophobicContact CG2-CZ3 3.78Å |
| 155 | L | 95 | Very high | 94.1 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -65.1 | -38.1 | 176.5 | -73.5 | 170.4 | 0 | 0 | 0 | 113 | M119 L132 P151 V152 L159 K160 A161 I162 F247 W291 | M119-L155 HydrophobicContact CE-CD1 4.09Å; L132-L155 HydrophobicContact CD1-CD1 3.98Å; L132-L155 HydrophobicContact CD1-CD2 3.78Å; P151-L155 WeakPolarHBondContact O-CB 3.5Å; P151-L155 VanDerWaalsContact O-CG 3.27Å; P151-L155 WeakPolarHBondContact O-CG 3.19Å; P151-L155 PolarHBondContact O-N 3.23Å; V152-L155 PolarHBondContact O-N 3.04Å; L155-L159 HydrophobicContact CD2-CD1 3.99Å; L155-K160 CarbonylContact O-C 3.13Å; L155-K160 PolarHBondContact O-N 3.47Å; L155-A161 HydrophobicContact CD2-CB 4Å; L155-A161 PolarHBondContact O-N 3.24Å; L155-I162 HydrophobicContact CB-CD1 3.5Å; L155-I162 HydrophobicContact CB-CG1 3.96Å; L155-I162 HydrophobicContact CD1-CD1 4.01Å; L155-I162 HydrophobicContact CG-CD1 4.39Å; L155-I162 PolarHBondContact O-N 3Å; L155-F247 HydrophobicContact CD1-CZ 4.48Å; L155-W291 HydrophobicContact CD2-CH2 3.95Å; L155-W291 HydrophobicContact CD2-CZ3 4.04Å; L155-W291 HydrophobicContact CG-CH2 4.24Å; L155-W291 HydrophobicContact CG-CZ3 3.9Å |
| 156 | I | 93 | Very high | 93.6 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -71.4 | -54.9 | 177.8 | -73.4 | 173.2 | 0 | 0 | 0 | 111.1 | V152 K160 I162 V164 V170 L387 | V152-I156 HydrophobicContact CG1-CD1 3.64Å; V152-I156 HydrophobicContact CG1-CG1 4.19Å; V152-I156 WeakPolarHBondContact O-CB 3.43Å; V152-I156 WeakPolarHBondContact O-CG1 3.33Å; V152-I156 PolarHBondContact O-N 3.18Å; I156-K160 WeakPolarHBondContact O-CA 3.1Å; I156-I162 HydrophobicContact CG1-CB 3.81Å; I156-I162 HydrophobicContact CG1-CD1 4.11Å; I156-I162 HydrophobicContact CG1-CG2 3.95Å; I156-V164 HydrophobicContact CG2-CG2 3.56Å; I156-V170 HydrophobicContact CD1-CG1 4.29Å; I156-L387 HydrophobicContact CD1-CD1 4.35Å |
| 157 | S | 91.6 | Very high | 93.2 | Very high | 41 Ų | 41 | 26.7 Ų | 26.7 | 29% | 0.287 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -98.8 | -43.8 | -165.1 | -178.8 | 0 | 0 | 0 | 0 | 114 | G153 | G153-S157 WeakPolarHBondContact O-CB 3.18Å; G153-S157 PolarHBondContact O-N 3.21Å |
| 158 | D | 92.1 | Very high | 92.8 | Very high | 81 Ų | 81 | 29.2 Ų | 29.2 | 43% | 0.433 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -83.3 | -48.5 | -172.1 | -62.6 | -30.5 | 0 | 0 | 0 | 110.8 | T154 K386 | T154-D158 HydrophobicContact CG2-CB 4.12Å; T154-D158 WeakPolarHBondContact O-CB 3.25Å; T154-D158 PolarHBondContact O-N 3.03Å; T154-D158 PolarHBondContact OG1-OD2 3.34Å; D158-K386 WeakPolarHBondContact OD1-CE 2.97Å; D158-K386 IonicContact OD1-NZ 2.78Å; D158-K386 PolarHBondContact OD1-NZ 2.91Å; D158-K386 IonicContact OD2-NZ 3.2Å; D158-K386 PolarHBondContact OD2-NZ 3.4Å |
| 159 | L | 93.1 | Very high | 92.5 | Very high | 57 Ų | 57 | 29.7 Ų | 29.7 | 30% | 0.298 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -88 | -19.7 | -179.5 | -62 | 178 | 0 | 0 | 0 | 112.6 | P129 T154 L155 A161 W291 | P129-L159 HydrophobicContact CB-CD1 3.5Å; P129-L159 VanDerWaalsContact CB-CD1 3.5Å; T154-L159 HydrophobicContact CG2-CD1 4.13Å; T154-L159 HydrophobicContact CG2-CG 4.15Å; T154-L159 PolarHBondContact O-N 2.97Å; L155-L159 HydrophobicContact CD2-CD1 3.99Å; L159-A161 HydrophobicContact CB-CB 4.28Å; L159-A161 PolarHBondContact O-N 3.09Å; L159-A161 VanDerWaalsContact O-N 3.12Å; L159-W291 HydrophobicContact CD1-CH2 4.12Å; L159-W291 HydrophobicContact CD1-CZ3 4.13Å |
| 160 | K | 91.9 | Very high | 92.3 | Very high | 172 Ų | 172 | 31 Ų | 31 | 75% | 0.748 | 17% | 0.169 | S | C | * | . | trans | 51 | 32.3 | -174.4 | -56.9 | -177.6 | 179.4 | -176.2 | 0 | 112.6 | L155 I156 | L155-K160 CarbonylContact O-C 3.13Å; L155-K160 PolarHBondContact O-N 3.47Å; I156-K160 WeakPolarHBondContact O-CA 3.1Å | ||
| 161 | A | 92.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 30.2 Ų | 30.2 | 17% | 0.174 | 17% | 0.166 | C | C | . | . | trans | -75.6 | -41.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L155 L159 P163 Y177 | L155-A161 HydrophobicContact CD2-CB 4Å; L155-A161 PolarHBondContact O-N 3.24Å; L159-A161 HydrophobicContact CB-CB 4.28Å; L159-A161 PolarHBondContact O-N 3.09Å; L159-A161 VanDerWaalsContact O-N 3.12Å; A161-P163 WeakPolarHBondContact O-CD 3.37Å; A161-Y177 WeakPolarHBondContact O-CE2 3.48Å | ||
| 162 | I | 93.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -92.4 | 112.8 | 176 | -60.7 | 166.3 | 0 | 0 | 0 | 109 | V152 L155 I156 V164 N173 L174 Y177 | V152-I162 HydrophobicContact CG1-CD1 4.26Å; L155-I162 HydrophobicContact CB-CD1 3.5Å; L155-I162 HydrophobicContact CB-CG1 3.96Å; L155-I162 HydrophobicContact CD1-CD1 4.01Å; L155-I162 HydrophobicContact CG-CD1 4.39Å; L155-I162 PolarHBondContact O-N 3Å; I156-I162 HydrophobicContact CG1-CB 3.81Å; I156-I162 HydrophobicContact CG1-CD1 4.11Å; I156-I162 HydrophobicContact CG1-CG2 3.95Å; I162-V164 PolarHBondContact O-N 3.28Å; I162-N173 HydrophobicContact CG2-CB 4.09Å; I162-L174 HydrophobicContact CD1-CD2 3.62Å; I162-Y177 HydrophobicContact CB-CG 4.4Å; I162-Y177 HydrophobicContact CD1-CD1 4.26Å; I162-Y177 HydrophobicContact CG1-CD1 3.51Å; I162-Y177 HydrophobicContact CG1-CD2 4.27Å; I162-Y177 HydrophobicContact CG1-CE1 3.74Å; I162-Y177 HydrophobicContact CG1-CE2 4.46Å; I162-Y177 HydrophobicContact CG1-CG 3.8Å; I162-Y177 HydrophobicContact CG2-CG 4.43Å |
| 163 | P | 91.2 | Very high | 92 | Very high | 63 Ų | 63 | 31 Ų | 31 | 41% | 0.409 | 17% | 0.169 | S | C | . | . | trans | -72.5 | 127.3 | 173.6 | 29.9 | -32.7 | 0 | 0 | 0 | 110.3 | A161 I165 | A161-P163 WeakPolarHBondContact O-CD 3.37Å; P163-I165 HydrophobicContact CB-CG2 4.32Å; P163-I165 PolarHBondContact O-N 2.98Å | ||
| 164 | V | 90.9 | Very high | 92 | Very high | 17 Ų | 17 | 31 Ų | 31 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | trans | -81 | 103 | 170.2 | -180 | 0 | 0 | 0 | 0 | 108.1 | I156 I162 P391 | I156-V164 HydrophobicContact CG2-CG2 3.56Å; I162-V164 PolarHBondContact O-N 3.28Å; V164-P391 HydrophobicContact CB-CG 3.83Å; V164-P391 HydrophobicContact CG1-CG 4.46Å; V164-P391 HydrophobicContact CG2-CG 4.4Å | ||
| 165 | I | 87.8 | Confident | 92 | Very high | 42 Ų | 42 | 31 Ų | 31 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | trans | -103.7 | -21.2 | 176.6 | 64.5 | 167.3 | 0 | 0 | 0 | 112.4 | P163 N173 N668 | P163-I165 HydrophobicContact CB-CG2 4.32Å; P163-I165 PolarHBondContact O-N 2.98Å; I165-N173 WeakPolarHBondContact CG1-OD1 3.21Å; I165-N173 PolarHBondContact N-OD1 2.55Å; I165-N668 PolarHBondContact O-ND2 2.96Å; I165-N668 PolarHBondContact O-OD1 3.21Å | ||
| 166 | Q | 87.4 | Confident | 91.9 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -123.7 | 119.1 | 171.5 | -75.7 | -176.5 | -25.5 | 0 | 0 | 109.1 | Q172 N173 R176 T667 N668 | Q166-Q172 VanDerWaalsContact OE1-CG 3.32Å; Q166-N173 PolarHBondContact N-OD1 3.09Å; Q166-N173 VanDerWaalsContact N-OD1 3.13Å; Q166-N173 PolarHBondContact O-ND2 3.27Å; Q166-R176 VanDerWaalsContact CD-NH1 3.32Å; Q166-R176 VanDerWaalsContact CD-NH2 3.3Å; Q166-T667 VanDerWaalsContact NE2-CG2 3.32Å; Q166-N668 WeakPolarHBondContact CA-OD1 3.05Å |
| 167 | C | 88.8 | Confident | 92 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 159.4 | 172.5 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | S169 C390 L392 Q421 N668 | C167-S169 PolarHBondContact O-N 3.37Å; C167-C390 HydrophobicContact CB-CB 3.82Å; C167-C390 WeakPolarHBondContact CB-SG 3.17Å; C167-C390 WeakPolarHBondContact SG-CB 3.2Å; C167-C390 CovalentContact SG-SG 2.02Å; C167-C390 PolarHBondContact SG-SG 3.31Å; C167-L392 WeakPolarHBondContact SG-CD1 3.42Å; C167-Q421 HydrophobicContact CB-CB 3.88Å; C167-N668 PolarHBondContact N-OD1 3.19Å |
| 168 | N | 89.5 | Confident | 92.2 | Very high | 52 Ų | 52 | 34 Ų | 34 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -3.5 | -176.5 | -44.7 | -45.7 | 0 | 0 | 0 | 116.3 | Q421 Y675 | N168-Q421 PolarHBondContact ND2-O 3.12Å; N168-Q421 WeakPolarHBondContact OD1-CB 3.15Å; N168-Q421 PolarHBondContact OD1-N 3.46Å; N168-Y675 HydrophobicContact CB-CD2 3.85Å; N168-Y675 HydrophobicContact CB-CE2 3.31Å; N168-Y675 PolarHBondContact O-OH 2.81Å |
| 169 | S | 90.7 | Very high | 92.3 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | trans | -131.4 | 95.9 | 177.1 | -175 | 0 | 0 | 0 | 0 | 112.6 | C167 Q172 N173 | C167-S169 PolarHBondContact O-N 3.37Å; S169-Q172 WeakPolarHBondContact OG-CB 3.05Å; S169-Q172 WeakPolarHBondContact OG-CG 3.32Å; S169-Q172 PolarHBondContact OG-N 3.2Å; S169-N173 PolarHBondContact O-ND2 2.87Å | ||
| 170 | V | 93 | Very high | 92.4 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 16% | 0.164 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 176 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | W148 V152 I156 Q172 N173 L174 L387 | W148-V170 HydrophobicContact CH2-CB 4.48Å; W148-V170 HydrophobicContact CH2-CG1 4.03Å; W148-V170 HydrophobicContact CZ2-CB 3.8Å; W148-V170 HydrophobicContact CZ2-CG1 3.49Å; W148-V170 VanDerWaalsContact CZ2-CG1 3.49Å; V152-V170 HydrophobicContact CG1-CG1 3.77Å; I156-V170 HydrophobicContact CD1-CG1 4.29Å; V170-Q172 VanDerWaalsContact C-N 3.32Å; V170-Q172 PolarHBondContact O-N 3.31Å; V170-N173 PolarHBondContact O-N 3.45Å; V170-N173 VanDerWaalsContact O-N 3.12Å; V170-L174 HydrophobicContact CG1-CD1 4.11Å; V170-L174 HydrophobicContact CG1-CG 4.4Å; V170-L174 PolarHBondContact O-N 2.97Å; V170-L387 HydrophobicContact CG1-CD1 3.82Å; V170-L387 HydrophobicContact CG2-CD1 4.04Å; V170-L387 HydrophobicContact CG2-CG 4.03Å |
| 171 | V | 95 | Very high | 92.7 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | -178.5 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | W148 N173 L174 I175 S186 F191 N197 V201 | W148-V171 HydrophobicContact CH2-CG2 3.64Å; W148-V171 HydrophobicContact CZ2-CG2 4.22Å; V171-N173 VanDerWaalsContact C-N 3.28Å; V171-N173 PolarHBondContact O-N 3.07Å; V171-L174 CarbonylContact O-C 3.52Å; V171-L174 WeakPolarHBondContact O-CA 3.32Å; V171-L174 WeakPolarHBondContact O-CB 3.26Å; V171-L174 PolarHBondContact O-N 3.42Å; V171-I175 HydrophobicContact CG1-CD1 3.83Å; V171-I175 HydrophobicContact CG1-CG1 4.2Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 2.68Å; V171-S186 WeakPolarHBondContact CG2-O 3.38Å; V171-F191 HydrophobicContact CG2-CB 3.79Å; V171-N197 WeakPolarHBondContact CB-ND2 3.26Å; V171-N197 HydrophobicContact CG1-CB 4.22Å; V171-N197 WeakPolarHBondContact CG1-ND2 3.42Å; V171-V201 HydrophobicContact CG1-CG2 4.03Å |
| 172 | Q | 92.5 | Very high | 93 | Very high | 13 Ų | 13 | 21 Ų | 21 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.7 | -32.3 | 179.1 | -74.5 | -76.7 | -12.2 | 0 | 0 | 113.3 | Q166 S169 V170 R176 D196 N197 | Q166-Q172 VanDerWaalsContact OE1-CG 3.32Å; S169-Q172 WeakPolarHBondContact OG-CB 3.05Å; S169-Q172 WeakPolarHBondContact OG-CG 3.32Å; S169-Q172 PolarHBondContact OG-N 3.2Å; V170-Q172 VanDerWaalsContact C-N 3.32Å; V170-Q172 PolarHBondContact O-N 3.31Å; Q172-R176 WeakPolarHBondContact O-CG 2.99Å; Q172-R176 PolarHBondContact O-N 2.71Å; Q172-R176 PolarHBondContact O-NH1 3.18Å; Q172-R176 VanDerWaalsContact O-NH1 3.08Å; Q172-D196 PolarHBondContact NE2-O 3.46Å; Q172-D196 VanDerWaalsContact NE2-O 3.07Å; Q172-N197 VanDerWaalsContact CG-OD1 3.27Å; Q172-N197 WeakPolarHBondContact CG-OD1 3.42Å; Q172-N197 PolarHBondContact NE2-OD1 3.38Å |
| 173 | N | 93.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.032 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.7 | -36.9 | 173.1 | -63.8 | -53.9 | 0 | 0 | 0 | 110.8 | I162 I165 Q166 S169 V170 V171 Y177 | I162-N173 HydrophobicContact CG2-CB 4.09Å; I165-N173 WeakPolarHBondContact CG1-OD1 3.21Å; I165-N173 PolarHBondContact N-OD1 2.55Å; Q166-N173 PolarHBondContact N-OD1 3.09Å; Q166-N173 VanDerWaalsContact N-OD1 3.13Å; Q166-N173 PolarHBondContact O-ND2 3.27Å; S169-N173 PolarHBondContact O-ND2 2.87Å; V170-N173 PolarHBondContact O-N 3.45Å; V170-N173 VanDerWaalsContact O-N 3.12Å; V171-N173 VanDerWaalsContact C-N 3.28Å; V171-N173 PolarHBondContact O-N 3.07Å; N173-Y177 VanDerWaalsContact O-CB 3.3Å; N173-Y177 WeakPolarHBondContact O-CB 3.45Å; N173-Y177 PolarHBondContact O-N 2.87Å; N173-Y177 VanDerWaalsContact O-N 3.09Å |
| 174 | L | 94.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.9 | -44.8 | 175.7 | -69.6 | 173.6 | 0 | 0 | 0 | 113 | W148 V152 I162 V170 V171 R176 Y177 L178 I183 | W148-L174 HydrophobicContact CE3-CD1 4.11Å; W148-L174 HydrophobicContact CH2-CD1 3.45Å; W148-L174 VanDerWaalsContact CH2-CD1 3.45Å; W148-L174 HydrophobicContact CZ2-CD1 4.31Å; W148-L174 HydrophobicContact CZ3-CD1 3.34Å; V152-L174 HydrophobicContact CG1-CD1 4.31Å; V152-L174 HydrophobicContact CG1-CD2 4.05Å; V152-L174 HydrophobicContact CG1-CG 4.44Å; V152-L174 HydrophobicContact CG2-CD1 4.27Å; V152-L174 HydrophobicContact CG2-CD2 4.33Å; I162-L174 HydrophobicContact CD1-CD2 3.62Å; V170-L174 HydrophobicContact CG1-CD1 4.11Å; V170-L174 HydrophobicContact CG1-CG 4.4Å; V170-L174 PolarHBondContact O-N 2.97Å; V171-L174 CarbonylContact O-C 3.52Å; V171-L174 WeakPolarHBondContact O-CA 3.32Å; V171-L174 WeakPolarHBondContact O-CB 3.26Å; V171-L174 PolarHBondContact O-N 3.42Å; L174-R176 PolarHBondContact O-N 3.1Å; L174-Y177 PolarHBondContact O-N 3.29Å; L174-Y177 VanDerWaalsContact O-N 3.1Å; L174-L178 HydrophobicContact CB-CD1 4.45Å; L174-L178 HydrophobicContact CD2-CD1 3.92Å; L174-L178 WeakPolarHBondContact O-CB 2.92Å; L174-L178 PolarHBondContact O-N 3.33Å; L174-I183 HydrophobicContact CD1-CD1 4.2Å |
| 175 | I | 94.9 | Very high | 93.7 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 7% | 0.072 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -51.9 | -46.7 | 175.9 | -73.7 | 166.1 | 0 | 0 | 0 | 110.3 | V171 G179 N197 T198 E200 V201 | V171-I175 HydrophobicContact CG1-CD1 3.83Å; V171-I175 HydrophobicContact CG1-CG1 4.2Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 2.68Å; I175-G179 VanDerWaalsContact O-CA 3.26Å; I175-G179 WeakPolarHBondContact O-CA 3.39Å; I175-G179 PolarHBondContact O-N 3.47Å; I175-N197 HydrophobicContact CD1-CB 4.17Å; I175-T198 WeakPolarHBondContact CD1-O 3.5Å; I175-T198 WeakPolarHBondContact CG2-OG1 3.34Å; I175-E200 HydrophobicContact CG2-CB 4.18Å; I175-E200 HydrophobicContact CG2-CG 4.28Å; I175-V201 HydrophobicContact CD1-CG2 4.34Å; I175-V201 HydrophobicContact CG1-CB 4.4Å; I175-V201 HydrophobicContact CG1-CG1 3.6Å; I175-V201 HydrophobicContact CG1-CG2 4.01Å |
| 176 | R | 92.8 | Very high | 94.1 | Very high | 104 Ų | 104 | 15.8 Ų | 15.8 | 39% | 0.392 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -76.4 | -25.6 | -177.9 | -66.2 | -179.8 | -175.2 | 103.4 | -7.7 | 113.8 | Q166 Q172 L174 | Q166-R176 VanDerWaalsContact CD-NH1 3.32Å; Q166-R176 VanDerWaalsContact CD-NH2 3.3Å; Q172-R176 WeakPolarHBondContact O-CG 2.99Å; Q172-R176 PolarHBondContact O-N 2.71Å; Q172-R176 PolarHBondContact O-NH1 3.18Å; Q172-R176 VanDerWaalsContact O-NH1 3.08Å; L174-R176 PolarHBondContact O-N 3.1Å |
| 177 | Y | 95.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 18 Ų | 18 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -86.3 | -48.5 | -179.1 | -179.4 | -103.9 | 0 | 0 | 0 | 112.6 | L132 R133 G134 A161 I162 N173 L174 | L132-Y177 HydrophobicContact CB-CE1 3.91Å; R133-Y177 CarbonylContact C-O 3.32Å; R133-Y177 WeakPolarHBondContact CA-O 3.49Å; R133-Y177 HydrophobicContact CB-CD2 4.09Å; R133-Y177 HydrophobicContact CB-CE2 3.55Å; R133-Y177 HydrophobicContact CG-CD2 3.92Å; R133-Y177 HydrophobicContact CG-CE2 3.87Å; R133-Y177 WeakPolarHBondContact CG-O 3.37Å; R133-Y177 PolarHBondContact N-OH 3.42Å; G134-Y177 PolarHBondContact N-O 3Å; A161-Y177 WeakPolarHBondContact O-CE2 3.48Å; I162-Y177 HydrophobicContact CB-CG 4.4Å; I162-Y177 HydrophobicContact CD1-CD1 4.26Å; I162-Y177 HydrophobicContact CG1-CD1 3.51Å; I162-Y177 HydrophobicContact CG1-CD2 4.27Å; I162-Y177 HydrophobicContact CG1-CE1 3.74Å; I162-Y177 HydrophobicContact CG1-CE2 4.46Å; I162-Y177 HydrophobicContact CG1-CG 3.8Å; I162-Y177 HydrophobicContact CG2-CG 4.43Å; N173-Y177 VanDerWaalsContact O-CB 3.3Å; N173-Y177 WeakPolarHBondContact O-CB 3.45Å; N173-Y177 PolarHBondContact O-N 2.87Å; N173-Y177 VanDerWaalsContact O-N 3.09Å; L174-Y177 PolarHBondContact O-N 3.29Å; L174-Y177 VanDerWaalsContact O-N 3.1Å |
| 178 | L | 95.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -92.3 | -42.1 | -175.9 | -61.2 | 171.8 | 0 | 0 | 0 | 112 | G134 I137 L174 I183 | G134-L178 CarbonylContact C-O 3.59Å; G134-L178 VanDerWaalsContact CA-O 3.28Å; G134-L178 WeakPolarHBondContact CA-O 3.33Å; I137-L178 HydrophobicContact CD1-CD1 3.55Å; I137-L178 HydrophobicContact CG1-CD1 3.9Å; I137-L178 HydrophobicContact CG2-CD2 4.31Å; L174-L178 HydrophobicContact CB-CD1 4.45Å; L174-L178 HydrophobicContact CD2-CD1 3.92Å; L174-L178 WeakPolarHBondContact O-CB 2.92Å; L174-L178 PolarHBondContact O-N 3.33Å; L178-I183 HydrophobicContact CD1-CD1 4.49Å |
| 179 | G | 93.2 | Very high | 94.5 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 21% | 0.206 | 13% | 0.127 | C | C | . | . | trans | 77.5 | -132.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I175 S181 | I175-G179 VanDerWaalsContact O-CA 3.26Å; I175-G179 WeakPolarHBondContact O-CA 3.39Å; I175-G179 PolarHBondContact O-N 3.47Å; G179-S181 PolarHBondContact O-N 2.86Å | ||
| 180 | D | 96.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 26.1 Ų | 26.1 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -61.9 | 127 | -175.6 | -64.5 | -3.2 | 0 | 0 | 0 | 110.4 | E136 E200 R203 L204 Y241 | E136-D180 WeakPolarHBondContact CA-O 3.21Å; E136-D180 WeakPolarHBondContact CB-O 3.45Å; E136-D180 HydrophobicContact CG-CB 4.2Å; E136-D180 WeakPolarHBondContact CG-O 3.38Å; D180-E200 CarbonylContact C-O 3.29Å; D180-E200 VanDerWaalsContact CA-O 3.27Å; D180-E200 WeakPolarHBondContact CA-O 3.4Å; D180-R203 HydrophobicContact CB-CB 4.34Å; D180-R203 VanDerWaalsContact CG-CD 3.46Å; D180-R203 WeakPolarHBondContact OD1-CD 3.09Å; D180-R203 IonicContact OD1-CZ 2.66Å; D180-R203 IonicContact OD1-NE 3.89Å; D180-R203 IonicContact OD1-NH1 3.64Å; D180-R203 PolarHBondContact OD1-NH1 2.76Å; D180-R203 IonicContact OD2-NH1 2.97Å; D180-L204 HydrophobicContact CB-CD1 3.79Å; D180-Y241 HydrophobicContact CB-CE1 4.27Å; D180-Y241 WeakPolarHBondContact OD2-CE1 3.1Å |
| 181 | S | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -155.7 | 178.2 | 178.9 | -71.9 | 0 | 0 | 0 | 0 | 111.1 | I137 G179 E200 V201 C202 R203 L204 | I137-S181 PolarHBondContact N-OG 3.13Å; G179-S181 PolarHBondContact O-N 2.86Å; S181-E200 PolarHBondContact N-O 3.33Å; S181-V201 CarbonylContact C-O 3.58Å; S181-V201 CarbonylContact O-C 3.47Å; S181-C202 CarbonylContact O-C 3.58Å; S181-C202 PolarHBondContact O-N 3.41Å; S181-R203 PolarHBondContact O-N 2.82Å; S181-R203 VanDerWaalsContact O-N 3.16Å; S181-L204 PolarHBondContact O-N 3.2Å | ||
| 182 | C | 98.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -120.4 | 107 | 162 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | I137 S139 V201 L204 C205 | I137-C182 PolarHBondContact O-N 2.91Å; S139-C182 PolarHBondContact N-O 3.33Å; C182-V201 CarbonylContact C-O 3.25Å; C182-V201 WeakPolarHBondContact CA-O 3.27Å; C182-L204 HydrophobicContact CB-CB 3.83Å; C182-C205 WeakPolarHBondContact CA-SG 3.18Å; C182-C205 HydrophobicContact CB-CB 4.1Å; C182-C205 WeakPolarHBondContact CB-SG 3.32Å; C182-C205 WeakPolarHBondContact SG-CA 3.49Å; C182-C205 WeakPolarHBondContact SG-CB 3.38Å; C182-C205 CovalentContact SG-SG 2.06Å; C182-C205 PolarHBondContact SG-SG 2.97Å |
| 183 | I | 97.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | trans | -127.4 | 89.2 | 174.8 | -47.6 | 175.3 | 0 | 0 | 0 | 107.9 | I137 A142 W148 L174 L178 S186 V201 C214 | I137-I183 HydrophobicContact CD1-CD1 4.2Å; I137-I183 HydrophobicContact CD1-CG1 4.42Å; A142-I183 HydrophobicContact CB-CG2 4.22Å; W148-I183 HydrophobicContact CE3-CG2 3.82Å; W148-I183 HydrophobicContact CZ3-CD1 4.43Å; W148-I183 HydrophobicContact CZ3-CG2 3.68Å; L174-I183 HydrophobicContact CD1-CD1 4.2Å; L178-I183 HydrophobicContact CD1-CD1 4.49Å; I183-S186 WeakPolarHBondContact O-CB 3.2Å; I183-S186 PolarHBondContact O-N 2.04Å; I183-S186 PolarHBondContact O-OG 3.09Å; I183-V201 HydrophobicContact CD1-CB 4.19Å; I183-V201 HydrophobicContact CD1-CG1 4Å; I183-V201 HydrophobicContact CG1-CB 4.45Å; I183-V201 PolarHBondContact N-O 3.42Å; I183-C214 PolarHBondContact O-SG 2.86Å | ||
| 184 | P | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 148 | 178.2 | -30 | 40 | 0 | 0 | 0 | 112.1 | S139 G141 A142 S186 C214 | S139-P184 WeakPolarHBondContact O-CD 3.03Å; G141-P184 CarbonylContact C-O 3.5Å; G141-P184 WeakPolarHBondContact CA-O 3.44Å; A142-P184 PolarHBondContact N-O 3.44Å; P184-S186 PolarHBondContact O-N 2.87Å; P184-S186 VanDerWaalsContact O-N 3.1Å; P184-C214 CarbonylContact C-O 3.5Å; P184-C214 WeakPolarHBondContact CA-O 3.09Å |
| 185 | N | 95.6 | Very high | 93.9 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -0 | -174.3 | -61.2 | -35.9 | 0 | 0 | 0 | 116.5 | F64 A142 L187 S188 F191 C214 G215 S216 | F64-N185 HydrophobicContact CE2-CB 4.38Å; A142-N185 HydrophobicContact CB-CB 4.45Å; N185-L187 PolarHBondContact O-N 2.76Å; N185-L187 VanDerWaalsContact O-N 3.13Å; N185-S188 VanDerWaalsContact O-CB 3.32Å; N185-S188 WeakPolarHBondContact O-CB 3.4Å; N185-S188 PolarHBondContact O-N 3.48Å; N185-S188 PolarHBondContact O-OG 3.15Å; N185-F191 WeakPolarHBondContact O-CD2 3.24Å; N185-C214 PolarHBondContact N-O 3.09Å; N185-G215 WeakPolarHBondContact OD1-CA 3.22Å; N185-S216 PolarHBondContact ND2-OG 3.27Å; N185-S216 PolarHBondContact OD1-N 3.16Å; N185-S216 VanDerWaalsContact OD1-N 3.09Å; N185-S216 PolarHBondContact OD1-OG 2.93Å |
| 186 | S | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.3 | 179.8 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | V171 I183 P184 V201 | V171-S186 WeakPolarHBondContact CG2-O 3.38Å; I183-S186 WeakPolarHBondContact O-CB 3.2Å; I183-S186 PolarHBondContact O-N 2.04Å; I183-S186 PolarHBondContact O-OG 3.09Å; P184-S186 PolarHBondContact O-N 2.87Å; P184-S186 VanDerWaalsContact O-N 3.1Å; S186-V201 WeakPolarHBondContact OG-CG2 3.32Å |
| 187 | L | 93.4 | Very high | 93.7 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 7.3 | 175.7 | -59.2 | -177.7 | 0 | 0 | 0 | 113.5 | N185 N197 C202 | N185-L187 PolarHBondContact O-N 2.76Å; N185-L187 VanDerWaalsContact O-N 3.13Å; L187-N197 HydrophobicContact CD2-CB 3.65Å; L187-C202 HydrophobicContact CD1-CB 4.33Å; L187-C202 WeakPolarHBondContact CD1-SG 3.05Å |
| 188 | S | 92.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 34 Ų | 34 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -64.8 | 158.5 | 174.7 | 80.8 | 0 | 0 | 0 | 0 | 111.1 | N185 I190 F191 N192 | N185-S188 VanDerWaalsContact O-CB 3.32Å; N185-S188 WeakPolarHBondContact O-CB 3.4Å; N185-S188 PolarHBondContact O-N 3.48Å; N185-S188 PolarHBondContact O-OG 3.15Å; S188-I190 PolarHBondContact O-N 3.48Å; S188-F191 PolarHBondContact O-N 3.26Å; S188-F191 WeakPolarHBondContact OG-CD2 3.17Å; S188-N192 WeakPolarHBondContact O-CB 3.16Å; S188-N192 PolarHBondContact O-N 2.88Å |
| 189 | E | 90 | Very high | 93.5 | Very high | 171 Ų | 171 | 38.5 Ų | 38.5 | 80% | 0.799 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.6 | -177.7 | -63.5 | 178.4 | 174.5 | 0 | 0 | 113.1 | N192 P193 | E189-N192 CarbonylContact O-C 3.35Å; E189-P193 WeakPolarHBondContact O-CA 3.22Å; E189-P193 VanDerWaalsContact O-N 3.13Å |
| 190 | I | 89.9 | Confident | 93.6 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 21% | 0.205 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -37.6 | -179.5 | -66.1 | 162.8 | 0 | 0 | 0 | 111.9 | F64 Y87 L91 Y92 S188 | F64-I190 HydrophobicContact CB-CD1 4.14Å; F64-I190 HydrophobicContact CD1-CD1 3.04Å; F64-I190 HydrophobicContact CD2-CD1 4.15Å; F64-I190 HydrophobicContact CE1-CD1 3.26Å; F64-I190 HydrophobicContact CE2-CD1 4.33Å; F64-I190 HydrophobicContact CG-CD1 3.52Å; F64-I190 HydrophobicContact CZ-CD1 3.92Å; Y87-I190 HydrophobicContact CD1-CG2 3.77Å; Y87-I190 HydrophobicContact CE1-CG2 3.95Å; L91-I190 HydrophobicContact CD1-CD1 4.2Å; L91-I190 HydrophobicContact CD1-CG1 4.04Å; L91-I190 HydrophobicContact CD1-CG2 4.01Å; Y92-I190 HydrophobicContact CE2-CD1 4.19Å; S188-I190 PolarHBondContact O-N 3.48Å |
| 191 | F | 92.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -13.2 | -179.4 | -61.7 | -69 | 0 | 0 | 0 | 113 | F64 Y87 A142 W148 V171 N185 S188 P193 N197 | F64-F191 HydrophobicContact CE2-CE2 4.48Å; F64-F191 AromaticContact CZ-CE2 3.9Å; F64-F191 HydrophobicContact CZ-CE2 3.9Å; Y87-F191 HydrophobicContact CE1-CE1 4.27Å; Y87-F191 HydrophobicContact CE1-CZ 4.43Å; Y87-F191 HydrophobicContact CE2-CE1 4.22Å; Y87-F191 AromaticContact CE2-CZ 3.87Å; Y87-F191 HydrophobicContact CE2-CZ 3.87Å; Y87-F191 AromaticContact CZ-CE1 3.69Å; Y87-F191 AromaticContact CZ-CZ 3.8Å; Y87-F191 WeakPolarHBondContact OH-CE1 3.16Å; A142-F191 HydrophobicContact CB-CD2 3.8Å; A142-F191 HydrophobicContact CB-CE1 4.49Å; A142-F191 HydrophobicContact CB-CE2 3.67Å; A142-F191 HydrophobicContact CB-CG 4.28Å; A142-F191 HydrophobicContact CB-CZ 4.07Å; W148-F191 HydrophobicContact CZ2-CD1 4.21Å; W148-F191 HydrophobicContact CZ2-CE1 4.29Å; V171-F191 HydrophobicContact CG2-CB 3.79Å; N185-F191 WeakPolarHBondContact O-CD2 3.24Å; S188-F191 PolarHBondContact O-N 3.26Å; S188-F191 WeakPolarHBondContact OG-CD2 3.17Å; F191-P193 VanDerWaalsContact C-CD 3.49Å; F191-N197 PolarHBondContact O-ND2 3.31Å |
| 192 | N | 93 | Very high | 93.5 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | trans | -134.2 | 55 | -179.4 | -168.1 | 23 | 0 | 0 | 0 | 111.7 | S188 E189 F194 G195 D196 N197 | S188-N192 WeakPolarHBondContact O-CB 3.16Å; S188-N192 PolarHBondContact O-N 2.88Å; E189-N192 CarbonylContact O-C 3.35Å; N192-F194 PolarHBondContact O-N 2.86Å; N192-F194 VanDerWaalsContact O-N 3.08Å; N192-G195 PolarHBondContact O-N 2.95Å; N192-G195 WeakPolarHBondContact OD1-CA 3.25Å; N192-G195 PolarHBondContact OD1-N 3.12Å; N192-D196 PolarHBondContact OD1-N 3.27Å; N192-N197 HydrophobicContact CB-CB 4.29Å; N192-N197 WeakPolarHBondContact CB-ND2 3.5Å; N192-N197 WeakPolarHBondContact OD1-CB 3.25Å; N192-N197 VanDerWaalsContact OD1-CG 3.26Å; N192-N197 PolarHBondContact OD1-N 2.92Å | ||
| 193 | P | 89.4 | Confident | 93.4 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 34% | 0.344 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25 | -172.2 | 24.3 | -35.1 | 0 | 0 | 0 | 113.7 | E189 F191 Y675 | E189-P193 WeakPolarHBondContact O-CA 3.22Å; E189-P193 VanDerWaalsContact O-N 3.13Å; F191-P193 VanDerWaalsContact C-CD 3.49Å; P193-Y675 HydrophobicContact CG-CE1 3.98Å |
| 194 | F | 90.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 2.2 | -179.9 | -51.1 | -55 | 0 | 0 | 0 | 113.8 | N192 D196 Q674 Y675 E678 | N192-F194 PolarHBondContact O-N 2.86Å; N192-F194 VanDerWaalsContact O-N 3.08Å; F194-D196 PolarHBondContact O-N 3.03Å; F194-Q674 HydrophobicContact CD1-CG 4.06Å; F194-Q674 VanDerWaalsContact CD1-NE2 3.33Å; F194-Q674 HydrophobicContact CD2-CG 4.44Å; F194-Q674 HydrophobicContact CE1-CG 3.65Å; F194-Q674 HydrophobicContact CE2-CG 4.05Å; F194-Q674 HydrophobicContact CG-CG 4.44Å; F194-Q674 HydrophobicContact CZ-CB 4.21Å; F194-Q674 HydrophobicContact CZ-CG 3.64Å; F194-Y675 HydrophobicContact CE2-CD1 4.21Å; F194-Y675 AromaticContact CE2-CD2 3.93Å; F194-Y675 HydrophobicContact CE2-CD2 3.93Å; F194-Y675 AromaticContact CE2-CE1 3.9Å; F194-Y675 HydrophobicContact CE2-CE1 3.9Å; F194-Y675 AromaticContact CE2-CE2 3.56Å; F194-Y675 HydrophobicContact CE2-CE2 3.56Å; F194-Y675 HydrophobicContact CE2-CG 4.23Å; F194-Y675 AromaticContact CE2-CZ 3.55Å; F194-Y675 AromaticContact CZ-CD1 3.81Å; F194-Y675 HydrophobicContact CZ-CD1 3.81Å; F194-Y675 HydrophobicContact CZ-CD2 4.08Å; F194-Y675 AromaticContact CZ-CE1 3.88Å; F194-Y675 HydrophobicContact CZ-CE1 3.88Å; F194-Y675 HydrophobicContact CZ-CE2 4.1Å; F194-Y675 AromaticContact CZ-CG 3.93Å; F194-Y675 HydrophobicContact CZ-CG 3.93Å; F194-E678 HydrophobicContact CE1-CB 4.27Å |
| 195 | G | 91 | Very high | 93.4 | Very high | 56 Ų | 56 | 41.5 Ų | 41.5 | 58% | 0.577 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 67.2 | 17.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N192 | N192-G195 PolarHBondContact O-N 2.95Å; N192-G195 WeakPolarHBondContact OD1-CA 3.25Å; N192-G195 PolarHBondContact OD1-N 3.12Å |
| 196 | D | 90.2 | Very high | 93.4 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | trans | -112.1 | 6.9 | -172.5 | 64.9 | 8.4 | 0 | 0 | 0 | 114.7 | Q172 N192 F194 T198 R671 | Q172-D196 PolarHBondContact NE2-O 3.46Å; Q172-D196 VanDerWaalsContact NE2-O 3.07Å; N192-D196 PolarHBondContact OD1-N 3.27Å; F194-D196 PolarHBondContact O-N 3.03Å; D196-T198 PolarHBondContact O-N 3.21Å; D196-R671 VanDerWaalsContact CG-NH2 3.27Å; D196-R671 IonicContact OD1-NH2 3.81Å; D196-R671 PolarHBondContact OD1-NH2 3.45Å; D196-R671 IonicContact OD2-CZ 3.75Å; D196-R671 IonicContact OD2-NH1 2.92Å; D196-R671 PolarHBondContact OD2-NH1 3.34Å; D196-R671 IonicContact OD2-NH2 3.37Å; D196-R671 PolarHBondContact OD2-NH2 3.15Å | ||
| 197 | N | 92.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 9% | 0.086 | 25% | 0.247 | C | C | . | . | trans | -65 | 126.9 | 162.3 | -65.6 | -12.5 | 0 | 0 | 0 | 109.9 | V171 Q172 I175 L187 F191 N192 | V171-N197 WeakPolarHBondContact CB-ND2 3.26Å; V171-N197 HydrophobicContact CG1-CB 4.22Å; V171-N197 WeakPolarHBondContact CG1-ND2 3.42Å; Q172-N197 VanDerWaalsContact CG-OD1 3.27Å; Q172-N197 WeakPolarHBondContact CG-OD1 3.42Å; Q172-N197 PolarHBondContact NE2-OD1 3.38Å; I175-N197 HydrophobicContact CD1-CB 4.17Å; L187-N197 HydrophobicContact CD2-CB 3.65Å; F191-N197 PolarHBondContact O-ND2 3.31Å; N192-N197 HydrophobicContact CB-CB 4.29Å; N192-N197 WeakPolarHBondContact CB-ND2 3.5Å; N192-N197 WeakPolarHBondContact OD1-CB 3.25Å; N192-N197 VanDerWaalsContact OD1-CG 3.26Å; N192-N197 PolarHBondContact OD1-N 2.92Å | ||
| 198 | T | 93 | Very high | 93.3 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | trans | -79.3 | 159.4 | 174.6 | 58.6 | 0 | 0 | 0 | 0 | 110.9 | I175 D196 E200 | I175-T198 WeakPolarHBondContact CD1-O 3.5Å; I175-T198 WeakPolarHBondContact CG2-OG1 3.34Å; D196-T198 PolarHBondContact O-N 3.21Å; T198-E200 VanDerWaalsContact C-N 3.31Å; T198-E200 VanDerWaalsContact C-OE2 3.27Å; T198-E200 WeakPolarHBondContact CB-OE2 3.34Å; T198-E200 PolarHBondContact O-N 2.78Å; T198-E200 PolarHBondContact OG1-OE2 3.28Å | ||
| 199 | Q | 93.5 | Very high | 93.2 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -81.9 | 4 | -165.7 | 70.3 | -172.9 | 10.8 | 0 | 0 | 116 | V201 C202 R203 W213 | Q199-V201 VanDerWaalsContact C-N 3.27Å; Q199-V201 PolarHBondContact O-N 2.93Å; Q199-C202 WeakPolarHBondContact O-CA 3.12Å; Q199-C202 PolarHBondContact O-N 2.92Å; Q199-R203 PolarHBondContact O-N 3.38Å; Q199-W213 HydrophobicContact CB-CH2 3.78Å; Q199-W213 HydrophobicContact CG-CH2 4.25Å |
| 200 | E | 96 | Very high | 93.3 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -49.1 | -48.4 | -178.5 | -78.4 | 67.7 | -160.9 | 0 | 0 | 111.5 | I175 D180 S181 T198 C202 R203 | I175-E200 HydrophobicContact CG2-CB 4.18Å; I175-E200 HydrophobicContact CG2-CG 4.28Å; D180-E200 CarbonylContact C-O 3.29Å; D180-E200 VanDerWaalsContact CA-O 3.27Å; D180-E200 WeakPolarHBondContact CA-O 3.4Å; S181-E200 PolarHBondContact N-O 3.33Å; T198-E200 VanDerWaalsContact C-N 3.31Å; T198-E200 VanDerWaalsContact C-OE2 3.27Å; T198-E200 WeakPolarHBondContact CB-OE2 3.34Å; T198-E200 PolarHBondContact O-N 2.78Å; T198-E200 PolarHBondContact OG1-OE2 3.28Å; E200-C202 PolarHBondContact O-N 2.72Å; E200-R203 VanDerWaalsContact CD-NH2 3.35Å; E200-R203 PolarHBondContact O-N 2.76Å; E200-R203 VanDerWaalsContact O-N 3.13Å; E200-R203 IonicContact OE1-CZ 3.81Å; E200-R203 IonicContact OE1-NH1 3.7Å; E200-R203 IonicContact OE1-NH2 3.12Å; E200-R203 PolarHBondContact OE1-NH2 2.91Å |
| 201 | V | 95.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -66.7 | -3.5 | 179.9 | -71.6 | 0 | 0 | 0 | 0 | 114.7 | V171 I175 S181 C182 I183 S186 Q199 | V171-V201 HydrophobicContact CG1-CG2 4.03Å; I175-V201 HydrophobicContact CD1-CG2 4.34Å; I175-V201 HydrophobicContact CG1-CB 4.4Å; I175-V201 HydrophobicContact CG1-CG1 3.6Å; I175-V201 HydrophobicContact CG1-CG2 4.01Å; S181-V201 CarbonylContact C-O 3.58Å; S181-V201 CarbonylContact O-C 3.47Å; C182-V201 CarbonylContact C-O 3.25Å; C182-V201 WeakPolarHBondContact CA-O 3.27Å; I183-V201 HydrophobicContact CD1-CB 4.19Å; I183-V201 HydrophobicContact CD1-CG1 4Å; I183-V201 HydrophobicContact CG1-CB 4.45Å; I183-V201 PolarHBondContact N-O 3.42Å; S186-V201 WeakPolarHBondContact OG-CG2 3.32Å; Q199-V201 VanDerWaalsContact C-N 3.27Å; Q199-V201 PolarHBondContact O-N 2.93Å |
| 202 | C | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -118.3 | -5.4 | 177.4 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | S181 L187 Q199 E200 L204 C205 W213 C214 | S181-C202 CarbonylContact O-C 3.58Å; S181-C202 PolarHBondContact O-N 3.41Å; L187-C202 HydrophobicContact CD1-CB 4.33Å; L187-C202 WeakPolarHBondContact CD1-SG 3.05Å; Q199-C202 WeakPolarHBondContact O-CA 3.12Å; Q199-C202 PolarHBondContact O-N 2.92Å; E200-C202 PolarHBondContact O-N 2.72Å; C202-L204 PolarHBondContact O-N 2.82Å; C202-C205 VanDerWaalsContact O-CB 3.32Å; C202-C205 WeakPolarHBondContact O-CB 3.35Å; C202-C205 PolarHBondContact O-N 2.87Å; C202-W213 HydrophobicContact CB-CH2 4.32Å; C202-W213 HydrophobicContact CB-CZ2 3.7Å; C202-W213 PolarHBondContact O-NE1 2.99Å; C202-C214 VanDerWaalsContact CA-SG 3.54Å; C202-C214 HydrophobicContact CB-CB 3.45Å; C202-C214 VanDerWaalsContact CB-CB 3.45Å; C202-C214 WeakPolarHBondContact CB-SG 3.32Å; C202-C214 WeakPolarHBondContact SG-CB 3.35Å; C202-C214 CovalentContact SG-SG 2.03Å; C202-C214 PolarHBondContact SG-SG 2.69Å |
| 203 | R | 96.3 | Very high | 93.1 | Very high | 79 Ų | 79 | 55.7 Ų | 55.7 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.7 | -172.8 | -81.3 | 176.6 | -174.8 | 162.7 | 9.1 | 114.4 | D180 S181 Q199 E200 | D180-R203 HydrophobicContact CB-CB 4.34Å; D180-R203 VanDerWaalsContact CG-CD 3.46Å; D180-R203 WeakPolarHBondContact OD1-CD 3.09Å; D180-R203 IonicContact OD1-CZ 2.66Å; D180-R203 IonicContact OD1-NE 3.89Å; D180-R203 IonicContact OD1-NH1 3.64Å; D180-R203 PolarHBondContact OD1-NH1 2.76Å; D180-R203 IonicContact OD2-NH1 2.97Å; S181-R203 PolarHBondContact O-N 2.82Å; S181-R203 VanDerWaalsContact O-N 3.16Å; Q199-R203 PolarHBondContact O-N 3.38Å; E200-R203 VanDerWaalsContact CD-NH2 3.35Å; E200-R203 PolarHBondContact O-N 2.76Å; E200-R203 VanDerWaalsContact O-N 3.13Å; E200-R203 IonicContact OE1-CZ 3.81Å; E200-R203 IonicContact OE1-NH1 3.7Å; E200-R203 IonicContact OE1-NH2 3.12Å; E200-R203 PolarHBondContact OE1-NH2 2.91Å |
| 204 | L | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -12.4 | 176.4 | -83.2 | 64.1 | 0 | 0 | 0 | 112.5 | E136 D180 S181 C182 C202 Y220 Y233 Y241 P243 | E136-L204 HydrophobicContact CB-CD1 4.38Å; E136-L204 HydrophobicContact CB-CD2 3.61Å; E136-L204 HydrophobicContact CG-CD1 4.29Å; E136-L204 HydrophobicContact CG-CD2 4.29Å; D180-L204 HydrophobicContact CB-CD1 3.79Å; S181-L204 PolarHBondContact O-N 3.2Å; C182-L204 HydrophobicContact CB-CB 3.83Å; C202-L204 PolarHBondContact O-N 2.82Å; L204-Y220 WeakPolarHBondContact O-CD2 3.37Å; L204-Y220 WeakPolarHBondContact O-CE2 3.05Å; L204-Y233 HydrophobicContact CB-CE2 3.91Å; L204-Y233 HydrophobicContact CD2-CD2 4.47Å; L204-Y233 HydrophobicContact CD2-CE2 4.3Å; L204-Y233 HydrophobicContact CG-CE2 4.05Å; L204-Y233 WeakPolarHBondContact O-CE2 3.39Å; L204-Y233 PolarHBondContact O-OH 2.83Å; L204-Y241 HydrophobicContact CD1-CD1 3.65Å; L204-Y241 HydrophobicContact CD1-CD2 4.14Å; L204-Y241 HydrophobicContact CD1-CE1 4.05Å; L204-Y241 HydrophobicContact CD1-CE2 4.48Å; L204-Y241 HydrophobicContact CD1-CG 3.71Å; L204-Y241 HydrophobicContact CG-CD1 4.36Å; L204-Y241 HydrophobicContact CG-CD2 4.18Å; L204-Y241 HydrophobicContact CG-CG 3.91Å; L204-P243 HydrophobicContact CD2-CB 3.97Å; L204-P243 HydrophobicContact CD2-CG 4.19Å |
| 205 | C | 97.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | trans | -66.9 | 145.7 | -176.4 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | C182 C202 T208 C214 D218 | C182-C205 WeakPolarHBondContact CA-SG 3.18Å; C182-C205 HydrophobicContact CB-CB 4.1Å; C182-C205 WeakPolarHBondContact CB-SG 3.32Å; C182-C205 WeakPolarHBondContact SG-CA 3.49Å; C182-C205 WeakPolarHBondContact SG-CB 3.38Å; C182-C205 CovalentContact SG-SG 2.06Å; C182-C205 PolarHBondContact SG-SG 2.97Å; C202-C205 VanDerWaalsContact O-CB 3.32Å; C202-C205 WeakPolarHBondContact O-CB 3.35Å; C202-C205 PolarHBondContact O-N 2.87Å; C205-T208 PolarHBondContact O-OG1 2.68Å; C205-C214 HydrophobicContact CB-CB 4.28Å; C205-C214 VanDerWaalsContact SG-SG 3.68Å; C205-D218 WeakPolarHBondContact CB-OD2 3.2Å | ||
| 206 | Y | 95.9 | Very high | 93.7 | Very high | 118 Ų | 118 | 50.4 Ų | 50.4 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -42.2 | -162.6 | 180 | -92.5 | 0 | 0 | 0 | 112.3 | T208 D218 R219 Y220 | Y206-T208 PolarHBondContact O-N 3.15Å; Y206-D218 PolarHBondContact N-OD1 3Å; Y206-D218 VanDerWaalsContact N-OD1 3.12Å; Y206-D218 PolarHBondContact N-OD2 2.8Å; Y206-R219 HydrophobicContact CD1-CB 3.5Å; Y206-R219 VanDerWaalsContact CD1-CB 3.5Å; Y206-R219 HydrophobicContact CD1-CG 4.15Å; Y206-R219 HydrophobicContact CE1-CB 4.23Å; Y206-R219 HydrophobicContact CG-CB 3.79Å; Y206-R219 HydrophobicContact CG-CG 4.34Å; Y206-Y220 HydrophobicContact CD2-CE1 4.16Å; Y206-Y220 HydrophobicContact CD2-CE2 4.35Å; Y206-Y220 AromaticContact CD2-CZ 3.83Å; Y206-Y220 HydrophobicContact CG-CE1 4.45Å |
| 207 | N | 94.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 28.6 | -171.3 | -77.4 | -7.8 | 0 | 0 | 0 | 113.5 | G209 L210 W213 L217 D218 | N207-G209 PolarHBondContact O-N 2.91Å; N207-L210 HydrophobicContact CB-CB 4.27Å; N207-L210 HydrophobicContact CB-CD1 4.07Å; N207-L210 VanDerWaalsContact O-CB 3.3Å; N207-L210 WeakPolarHBondContact O-CB 3.02Å; N207-L210 WeakPolarHBondContact O-CG 3.42Å; N207-L210 PolarHBondContact O-N 3.01Å; N207-W213 HydrophobicContact CB-CB 4.5Å; N207-W213 VanDerWaalsContact O-CB 3.28Å; N207-W213 WeakPolarHBondContact O-CB 3.48Å; N207-L217 PolarHBondContact ND2-O 3.15Å; N207-D218 WeakPolarHBondContact CB-OD2 3.46Å; N207-D218 PolarHBondContact N-OD2 2.89Å; N207-D218 VanDerWaalsContact N-OD2 3.1Å |
| 208 | T | 92.9 | Very high | 93.9 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 123.2 | -174.9 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | C205 Y206 W213 | C205-T208 PolarHBondContact O-OG1 2.68Å; Y206-T208 PolarHBondContact O-N 3.15Å; T208-W213 VanDerWaalsContact CA-CD1 3.41Å; T208-W213 HydrophobicContact CG2-CZ2 4.44Å; T208-W213 PolarHBondContact OG1-NE1 3.37Å |
| 209 | G | 90.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 73% | 0.732 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -0.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N207 | N207-G209 PolarHBondContact O-N 2.91Š|
| 210 | L | 91.3 | Very high | 94 | Very high | 110 Ų | 110 | 45.2 Ų | 45.2 | 58% | 0.576 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -98 | 166.6 | 172.1 | -53.1 | 178.8 | 0 | 0 | 0 | 111 | N207 D212 W213 | N207-L210 HydrophobicContact CB-CB 4.27Å; N207-L210 HydrophobicContact CB-CD1 4.07Å; N207-L210 VanDerWaalsContact O-CB 3.3Å; N207-L210 WeakPolarHBondContact O-CB 3.02Å; N207-L210 WeakPolarHBondContact O-CG 3.42Å; N207-L210 PolarHBondContact O-N 3.01Å; L210-D212 PolarHBondContact O-N 2.94Å; L210-W213 VanDerWaalsContact O-CB 3.32Å; L210-W213 WeakPolarHBondContact O-CB 2.97Å; L210-W213 PolarHBondContact O-N 3.2Å |
| 211 | S | 88 | Confident | 94 | Very high | 116 Ų | 116 | 44.6 Ų | 44.6 | 81% | 0.811 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -31.7 | 176.7 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | W213 | S211-W213 VanDerWaalsContact C-N 3.3Š|
| 212 | D | 89.6 | Confident | 93.9 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 8.3 | -171.8 | -55.4 | -8.1 | 0 | 0 | 0 | 111.6 | L210 C214 G215 L217 D218 | L210-D212 PolarHBondContact O-N 2.94Å; D212-C214 PolarHBondContact O-N 2.9Å; D212-G215 PolarHBondContact O-N 3.13Å; D212-L217 HydrophobicContact CB-CB 3.91Å; D212-D218 PolarHBondContact O-N 2.79Å |
| 213 | W | 94.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 125.6 | 179.7 | 179.6 | 38.8 | 0 | 0 | 0 | 111 | Q199 C202 N207 T208 L210 S211 G215 | Q199-W213 HydrophobicContact CB-CH2 3.78Å; Q199-W213 HydrophobicContact CG-CH2 4.25Å; C202-W213 HydrophobicContact CB-CH2 4.32Å; C202-W213 HydrophobicContact CB-CZ2 3.7Å; C202-W213 PolarHBondContact O-NE1 2.99Å; N207-W213 HydrophobicContact CB-CB 4.5Å; N207-W213 VanDerWaalsContact O-CB 3.28Å; N207-W213 WeakPolarHBondContact O-CB 3.48Å; T208-W213 VanDerWaalsContact CA-CD1 3.41Å; T208-W213 HydrophobicContact CG2-CZ2 4.44Å; T208-W213 PolarHBondContact OG1-NE1 3.37Å; L210-W213 VanDerWaalsContact O-CB 3.32Å; L210-W213 WeakPolarHBondContact O-CB 2.97Å; L210-W213 PolarHBondContact O-N 3.2Å; S211-W213 VanDerWaalsContact C-N 3.3Å; W213-G215 PolarHBondContact O-N 3.22Å |
| 214 | C | 95.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 24.4 | 178.8 | -157.8 | 0 | 0 | 0 | 0 | 113.3 | I183 P184 N185 C202 C205 D212 D218 | I183-C214 PolarHBondContact O-SG 2.86Å; P184-C214 CarbonylContact C-O 3.5Å; P184-C214 WeakPolarHBondContact CA-O 3.09Å; N185-C214 PolarHBondContact N-O 3.09Å; C202-C214 VanDerWaalsContact CA-SG 3.54Å; C202-C214 HydrophobicContact CB-CB 3.45Å; C202-C214 VanDerWaalsContact CB-CB 3.45Å; C202-C214 WeakPolarHBondContact CB-SG 3.32Å; C202-C214 WeakPolarHBondContact SG-CB 3.35Å; C202-C214 CovalentContact SG-SG 2.03Å; C202-C214 PolarHBondContact SG-SG 2.69Å; C205-C214 HydrophobicContact CB-CB 4.28Å; C205-C214 VanDerWaalsContact SG-SG 3.68Å; D212-C214 PolarHBondContact O-N 2.9Å; C214-D218 PolarHBondContact N-OD2 2.69Å |
| 215 | G | 94.4 | Very high | 93.7 | Very high | 17 Ų | 17 | 44 Ų | 44 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -107.4 | -174.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N185 D212 W213 L217 D218 | N185-G215 WeakPolarHBondContact OD1-CA 3.22Å; D212-G215 PolarHBondContact O-N 3.13Å; W213-G215 PolarHBondContact O-N 3.22Å; G215-L217 PolarHBondContact O-N 3.33Å; G215-D218 WeakPolarHBondContact O-CB 3.42Å; G215-D218 PolarHBondContact O-N 2.9Å |
| 216 | S | 92.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.5 | 179.5 | -60.4 | 0 | 0 | 0 | 0 | 114 | E63 N185 S221 | E63-S216 WeakPolarHBondContact OE2-CB 3.45Å; E63-S216 PolarHBondContact OE2-OG 3Å; N185-S216 PolarHBondContact ND2-OG 3.27Å; N185-S216 PolarHBondContact OD1-N 3.16Å; N185-S216 VanDerWaalsContact OD1-N 3.09Å; N185-S216 PolarHBondContact OD1-OG 2.93Å; S216-S221 WeakPolarHBondContact CA-OG 3.46Å; S216-S221 WeakPolarHBondContact O-CB 3.49Å; S216-S221 PolarHBondContact O-OG 2.03Å |
| 217 | L | 91.6 | Very high | 93.8 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 5.4 | 177.6 | -59.9 | 179.2 | 0 | 0 | 0 | 113.5 | N207 D212 G215 R219 | N207-L217 PolarHBondContact ND2-O 3.15Å; D212-L217 HydrophobicContact CB-CB 3.91Å; G215-L217 PolarHBondContact O-N 3.33Å; L217-R219 PolarHBondContact O-N 3.09Å |
| 218 | D | 94.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -61.6 | 139.1 | 169.8 | -165.4 | -75.7 | 0 | 0 | 0 | 109.6 | C205 Y206 N207 D212 C214 G215 Y220 S221 | C205-D218 WeakPolarHBondContact CB-OD2 3.2Å; Y206-D218 PolarHBondContact N-OD1 3Å; Y206-D218 VanDerWaalsContact N-OD1 3.12Å; Y206-D218 PolarHBondContact N-OD2 2.8Å; N207-D218 WeakPolarHBondContact CB-OD2 3.46Å; N207-D218 PolarHBondContact N-OD2 2.89Å; N207-D218 VanDerWaalsContact N-OD2 3.1Å; D212-D218 PolarHBondContact O-N 2.79Å; C214-D218 PolarHBondContact N-OD2 2.69Å; G215-D218 WeakPolarHBondContact O-CB 3.42Å; G215-D218 PolarHBondContact O-N 2.9Å; D218-Y220 PolarHBondContact O-N 3.42Å; D218-Y220 PolarHBondContact OD1-N 2.92Å; D218-S221 WeakPolarHBondContact O-CA 3.41Å; D218-S221 WeakPolarHBondContact O-CB 3.38Å; D218-S221 PolarHBondContact O-N 3.11Å |
| 219 | R | 93.4 | Very high | 94.1 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.5 | 179 | -171.5 | 175.3 | 176.8 | -116.7 | -9.3 | 112.9 | Y206 L217 R228 E232 D346 | Y206-R219 HydrophobicContact CD1-CB 3.5Å; Y206-R219 VanDerWaalsContact CD1-CB 3.5Å; Y206-R219 HydrophobicContact CD1-CG 4.15Å; Y206-R219 HydrophobicContact CE1-CB 4.23Å; Y206-R219 HydrophobicContact CG-CB 3.79Å; Y206-R219 HydrophobicContact CG-CG 4.34Å; L217-R219 PolarHBondContact O-N 3.09Å; R219-R228 PolarHBondContact O-NH1 3.18Å; R219-E232 IonicContact CZ-OE1 2.76Å; R219-E232 VanDerWaalsContact CZ-OE1 3.26Å; R219-E232 IonicContact NH1-OE1 3.38Å; R219-E232 PolarHBondContact NH1-OE1 3.15Å; R219-E232 IonicContact NH1-OE2 3.14Å; R219-E232 PolarHBondContact NH1-OE2 2.9Å; R219-E232 VanDerWaalsContact NH1-OE2 3.08Å; R219-E232 IonicContact NH2-OE1 2.75Å; R219-E232 PolarHBondContact NH2-OE1 3.49Å; R219-D346 IonicContact CZ-OD1 3.57Å; R219-D346 IonicContact NE-OD1 3.08Å; R219-D346 PolarHBondContact NE-OD1 2.9Å; R219-D346 IonicContact NH2-OD1 3.89Å |
| 220 | Y | 95.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 12.4 | 174.2 | -64.4 | -18.3 | 0 | 0 | 0 | 113.8 | L204 Y206 D218 G225 A226 R228 C229 E232 Y233 | L204-Y220 WeakPolarHBondContact O-CD2 3.37Å; L204-Y220 WeakPolarHBondContact O-CE2 3.05Å; Y206-Y220 HydrophobicContact CD2-CE1 4.16Å; Y206-Y220 HydrophobicContact CD2-CE2 4.35Å; Y206-Y220 AromaticContact CD2-CZ 3.83Å; Y206-Y220 HydrophobicContact CG-CE1 4.45Å; D218-Y220 PolarHBondContact O-N 3.42Å; D218-Y220 PolarHBondContact OD1-N 2.92Å; Y220-G225 VanDerWaalsContact C-CA 3.49Å; Y220-G225 CarbonylContact O-C 3.56Å; Y220-G225 VanDerWaalsContact O-C 3.25Å; Y220-A226 PolarHBondContact O-N 3.07Å; Y220-R228 HydrophobicContact CD1-CB 4.38Å; Y220-R228 HydrophobicContact CD1-CG 4.29Å; Y220-R228 HydrophobicContact CE1-CB 4.46Å; Y220-R228 HydrophobicContact CE1-CG 3.97Å; Y220-C229 HydrophobicContact CD1-CB 3.88Å; Y220-C229 HydrophobicContact CD2-CB 3.63Å; Y220-C229 HydrophobicContact CE1-CB 4.33Å; Y220-C229 HydrophobicContact CE2-CB 4.09Å; Y220-C229 HydrophobicContact CG-CB 3.53Å; Y220-E232 WeakPolarHBondContact CE1-OE2 3.27Å; Y220-E232 PolarHBondContact OH-OE2 2.97Å; Y220-Y233 HydrophobicContact CE2-CD2 4.48Å; Y220-Y233 AromaticContact CE2-CE2 3.77Å; Y220-Y233 HydrophobicContact CE2-CE2 3.77Å |
| 221 | S | 95.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 18% | 0.175 | 16% | 0.163 | C | C | . | . | trans | -77.9 | 149.8 | 173.4 | -171.7 | 0 | 0 | 0 | 0 | 114.3 | S216 D218 G225 | S216-S221 WeakPolarHBondContact CA-OG 3.46Å; S216-S221 WeakPolarHBondContact O-CB 3.49Å; S216-S221 PolarHBondContact O-OG 2.03Å; D218-S221 WeakPolarHBondContact O-CA 3.41Å; D218-S221 WeakPolarHBondContact O-CB 3.38Å; D218-S221 PolarHBondContact O-N 3.11Å; S221-G225 VanDerWaalsContact O-CA 3.31Å; S221-G225 WeakPolarHBondContact O-CA 3.27Å; S221-G225 PolarHBondContact O-N 3.21Å | ||
| 222 | G | 95.3 | Very high | 95 | Very high | 28 Ų | 28 | 26.2 Ų | 26.2 | 29% | 0.289 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | 71 | 179 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A140 Q224 G225 A226 | A140-G222 VanDerWaalsContact O-CA 3.25Å; A140-G222 WeakPolarHBondContact O-CA 3.48Å; A140-G222 PolarHBondContact O-N 3.26Å; G222-Q224 PolarHBondContact O-N 2.72Å; G222-G225 PolarHBondContact O-N 3.29Å; G222-A226 PolarHBondContact O-N 3.3Å |
| 223 | N | 96.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | -176 | -70 | -65.3 | 0 | 0 | 0 | 113.4 | E146 A226 L227 L248 R249 E252 | E146-N223 VanDerWaalsContact CG-OD1 3.32Å; E146-N223 WeakPolarHBondContact CG-OD1 3.04Å; E146-N223 PolarHBondContact OE1-ND2 2.75Å; E146-N223 PolarHBondContact OE1-OD1 3.1Å; N223-A226 PolarHBondContact O-N 3.25Å; N223-L227 PolarHBondContact O-N 2.64Å; N223-L248 HydrophobicContact CB-CB 4.2Å; N223-L248 WeakPolarHBondContact OD1-CA 3.28Å; N223-L248 WeakPolarHBondContact OD1-CB 3.31Å; N223-R249 PolarHBondContact OD1-N 3.2Å; N223-E252 HydrophobicContact CB-CB 3.97Å; N223-E252 HydrophobicContact CB-CG 3.41Å; N223-E252 VanDerWaalsContact CB-CG 3.41Å |
| 224 | Q | 94.7 | Very high | 95.3 | Very high | 24 Ų | 24 | 24.1 Ų | 24.1 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.4 | -37.7 | 177.9 | -66.5 | -59.6 | -36.5 | 0 | 0 | 111.7 | G222 L227 R228 E252 A256 H350 | G222-Q224 PolarHBondContact O-N 2.72Å; Q224-L227 PolarHBondContact O-N 2.66Å; Q224-R228 WeakPolarHBondContact O-CB 3.35Å; Q224-R228 PolarHBondContact O-N 3.24Å; Q224-E252 PolarHBondContact NE2-O 3.24Å; Q224-E252 VanDerWaalsContact NE2-O 3.08Å; Q224-E252 PolarHBondContact NE2-OE2 2.8Å; Q224-A256 VanDerWaalsContact OE1-CB 3.29Å; Q224-H350 HydrophobicContact CG-CB 4.35Å |
| 225 | G | 95.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y220 S221 G222 R228 C229 | Y220-G225 VanDerWaalsContact C-CA 3.49Å; Y220-G225 CarbonylContact O-C 3.56Å; Y220-G225 VanDerWaalsContact O-C 3.25Å; S221-G225 VanDerWaalsContact O-CA 3.31Å; S221-G225 WeakPolarHBondContact O-CA 3.27Å; S221-G225 PolarHBondContact O-N 3.21Å; G222-G225 PolarHBondContact O-N 3.29Å; G225-R228 PolarHBondContact O-N 2.92Å; G225-C229 VanDerWaalsContact O-CB 3.29Å; G225-C229 WeakPolarHBondContact O-CB 3.35Å; G225-C229 PolarHBondContact O-N 3.1Å |
| 226 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C138 Y220 G222 N223 L230 A246 L248 | C138-A226 HydrophobicContact CB-CB 4.46Å; C138-A226 WeakPolarHBondContact CB-O 3.08Å; Y220-A226 PolarHBondContact O-N 3.07Å; G222-A226 PolarHBondContact O-N 3.3Å; N223-A226 PolarHBondContact O-N 3.25Å; A226-L230 PolarHBondContact O-N 2.82Å; A226-L230 VanDerWaalsContact O-N 3.11Å; A226-A246 HydrophobicContact CB-CB 4.41Å; A226-L248 HydrophobicContact CB-CD2 4.39Å |
| 227 | L | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 173.8 | -73 | 172.1 | 0 | 0 | 0 | 111.7 | I120 N223 Q224 L230 R231 L248 E252 I253 A256 F261 | I120-L227 HydrophobicContact CD1-CD2 4.39Å; I120-L227 HydrophobicContact CG2-CD2 3.95Å; N223-L227 PolarHBondContact O-N 2.64Å; Q224-L227 PolarHBondContact O-N 2.66Å; L227-L230 PolarHBondContact O-N 2.87Å; L227-R231 WeakPolarHBondContact O-CB 3.47Å; L227-R231 PolarHBondContact O-N 3.4Å; L227-L248 HydrophobicContact CD1-CD1 3.99Å; L227-L248 HydrophobicContact CD2-CD1 3.9Å; L227-L248 HydrophobicContact CD2-CD2 3.61Å; L227-L248 HydrophobicContact CD2-CG 4.44Å; L227-L248 HydrophobicContact CG-CD1 3.94Å; L227-L248 HydrophobicContact CG-CD2 3.81Å; L227-E252 HydrophobicContact CD1-CB 4.3Å; L227-I253 HydrophobicContact CD2-CG1 4.5Å; L227-A256 HydrophobicContact CD1-CB 3.5Å; L227-A256 VanDerWaalsContact CD1-CB 3.5Å; L227-F261 HydrophobicContact CB-CD2 4.12Å; L227-F261 HydrophobicContact CB-CE2 3.96Å; L227-F261 HydrophobicContact CD2-CE1 4.21Å; L227-F261 HydrophobicContact CD2-CE2 3.95Å; L227-F261 HydrophobicContact CD2-CZ 3.75Å; L227-F261 WeakPolarHBondContact O-CE2 3.34Å |
| 228 | R | 95.5 | Very high | 95.3 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 17% | 0.166 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.7 | -172.7 | -173.2 | -59 | 162.2 | -12.7 | 112.3 | R219 Y220 Q224 G225 L230 R231 E232 D346 | R219-R228 PolarHBondContact O-NH1 3.18Å; Y220-R228 HydrophobicContact CD1-CB 4.38Å; Y220-R228 HydrophobicContact CD1-CG 4.29Å; Y220-R228 HydrophobicContact CE1-CB 4.46Å; Y220-R228 HydrophobicContact CE1-CG 3.97Å; Q224-R228 WeakPolarHBondContact O-CB 3.35Å; Q224-R228 PolarHBondContact O-N 3.24Å; G225-R228 PolarHBondContact O-N 2.92Å; R228-L230 VanDerWaalsContact C-N 3.32Å; R228-L230 PolarHBondContact O-N 2.83Å; R228-R231 PolarHBondContact O-N 3.25Å; R228-E232 HydrophobicContact CG-CG 4.09Å; R228-E232 WeakPolarHBondContact CG-OE1 3.49Å; R228-E232 WeakPolarHBondContact O-CB 3.43Å; R228-E232 WeakPolarHBondContact O-CG 3.33Å; R228-E232 PolarHBondContact O-N 2.84Å; R228-D346 IonicContact CZ-OD1 3.94Å; R228-D346 IonicContact CZ-OD2 2.98Å; R228-D346 IonicContact NH1-OD1 3.19Å; R228-D346 IonicContact NH1-OD2 3.8Å; R228-D346 PolarHBondContact NH1-OD2 2.94Å; R228-D346 VanDerWaalsContact NH2-CG 3.32Å; R228-D346 IonicContact NH2-OD1 2.81Å; R228-D346 IonicContact NH2-OD2 3.26Å; R228-D346 PolarHBondContact NH2-OD2 2.8Å |
| 229 | C | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.6 | -51.3 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | C138 Y220 G225 R231 Y233 | C138-C229 HydrophobicContact CB-CB 3.56Å; C138-C229 WeakPolarHBondContact CB-SG 3.37Å; C138-C229 WeakPolarHBondContact SG-CB 3.45Å; C138-C229 CovalentContact SG-SG 2.04Å; C138-C229 PolarHBondContact SG-SG 2.79Å; Y220-C229 HydrophobicContact CD1-CB 3.88Å; Y220-C229 HydrophobicContact CD2-CB 3.63Å; Y220-C229 HydrophobicContact CE1-CB 4.33Å; Y220-C229 HydrophobicContact CE2-CB 4.09Å; Y220-C229 HydrophobicContact CG-CB 3.53Å; G225-C229 VanDerWaalsContact O-CB 3.29Å; G225-C229 WeakPolarHBondContact O-CB 3.35Å; G225-C229 PolarHBondContact O-N 3.1Å; C229-R231 PolarHBondContact O-N 2.86Å; C229-Y233 WeakPolarHBondContact O-CD2 3.49Å; C229-Y233 PolarHBondContact O-N 2.85Å |
| 230 | L | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 179.2 | -174.6 | 65 | 0 | 0 | 0 | 111.9 | I120 P122 C138 A226 L227 R228 T234 P243 A246 Y266 | I120-L230 HydrophobicContact CG2-CD2 3.97Å; P122-L230 HydrophobicContact CG-CD1 4.32Å; C138-L230 PolarHBondContact SG-N 2.88Å; C138-L230 VanDerWaalsContact SG-N 3.36Å; A226-L230 PolarHBondContact O-N 2.82Å; A226-L230 VanDerWaalsContact O-N 3.11Å; L227-L230 PolarHBondContact O-N 2.87Å; R228-L230 VanDerWaalsContact C-N 3.32Å; R228-L230 PolarHBondContact O-N 2.83Å; L230-T234 VanDerWaalsContact O-CB 3.24Å; L230-T234 WeakPolarHBondContact O-CB 3.45Å; L230-T234 PolarHBondContact O-N 2.96Å; L230-T234 VanDerWaalsContact O-N 3.09Å; L230-T234 PolarHBondContact O-OG1 2.88Å; L230-P243 HydrophobicContact CD1-CB 4.18Å; L230-P243 HydrophobicContact CD1-CG 4.22Å; L230-P243 WeakPolarHBondContact CD1-O 3.08Å; L230-A246 HydrophobicContact CB-CB 4.07Å; L230-A246 HydrophobicContact CD2-CB 3.86Å; L230-A246 HydrophobicContact CG-CB 4.47Å; L230-Y266 HydrophobicContact CD2-CD1 3.87Å; L230-Y266 HydrophobicContact CD2-CE1 3.62Å; L230-Y266 HydrophobicContact CG-CE1 3.87Å |
| 231 | R | 95.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 24% | 0.238 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -56.3 | -178.8 | -170.3 | -175.4 | 87.8 | -168 | -3.4 | 112.4 | L227 R228 C229 Y233 T234 E235 G260 F261 Y266 | L227-R231 WeakPolarHBondContact O-CB 3.47Å; L227-R231 PolarHBondContact O-N 3.4Å; R228-R231 PolarHBondContact O-N 3.25Å; C229-R231 PolarHBondContact O-N 2.86Å; R231-Y233 VanDerWaalsContact C-N 3.26Å; R231-Y233 PolarHBondContact O-N 2.94Å; R231-T234 PolarHBondContact O-N 2.76Å; R231-T234 VanDerWaalsContact O-N 3.09Å; R231-E235 WeakPolarHBondContact CD-OE1 3.39Å; R231-E235 VanDerWaalsContact CG-CD 3.4Å; R231-E235 HydrophobicContact CG-CG 4.17Å; R231-E235 WeakPolarHBondContact CG-OE1 3.46Å; R231-E235 IonicContact NE-OE1 2.73Å; R231-E235 IonicContact NE-OE2 3Å; R231-E235 WeakPolarHBondContact O-CB 3.47Å; R231-E235 WeakPolarHBondContact O-CG 3.4Å; R231-E235 PolarHBondContact O-N 3.21Å; R231-G260 PolarHBondContact NH1-O 3.22Å; R231-F261 HydrophobicContact CB-CD2 4.06Å; R231-F261 HydrophobicContact CB-CE2 3.91Å; R231-F261 HydrophobicContact CG-CD2 4.4Å; R231-Y266 WeakPolarHBondContact CA-OH 3.35Å |
| 232 | E | 95.6 | Very high | 95.1 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -35.9 | -172.6 | -71 | -174.1 | 177.4 | 0 | 0 | 111.6 | R219 Y220 R228 N236 | R219-E232 IonicContact CZ-OE1 2.76Å; R219-E232 VanDerWaalsContact CZ-OE1 3.26Å; R219-E232 IonicContact NH1-OE1 3.38Å; R219-E232 PolarHBondContact NH1-OE1 3.15Å; R219-E232 IonicContact NH1-OE2 3.14Å; R219-E232 PolarHBondContact NH1-OE2 2.9Å; R219-E232 VanDerWaalsContact NH1-OE2 3.08Å; R219-E232 IonicContact NH2-OE1 2.75Å; R219-E232 PolarHBondContact NH2-OE1 3.49Å; Y220-E232 WeakPolarHBondContact CE1-OE2 3.27Å; Y220-E232 PolarHBondContact OH-OE2 2.97Å; R228-E232 HydrophobicContact CG-CG 4.09Å; R228-E232 WeakPolarHBondContact CG-OE1 3.49Å; R228-E232 WeakPolarHBondContact O-CB 3.43Å; R228-E232 WeakPolarHBondContact O-CG 3.33Å; R228-E232 PolarHBondContact O-N 2.84Å; E232-N236 WeakPolarHBondContact O-CB 3.4Å; E232-N236 PolarHBondContact O-N 2.94Å; E232-N236 VanDerWaalsContact O-N 3.17Å |
| 233 | Y | 96.2 | Very high | 95.2 | Very high | 32 Ų | 32 | 55 Ų | 55 | 13% | 0.125 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.2 | -34.1 | 174.5 | -78.7 | -61.6 | 0 | 0 | 0 | 114.4 | L204 Y220 C229 R231 S239 Y241 K242 P243 | L204-Y233 HydrophobicContact CB-CE2 3.91Å; L204-Y233 HydrophobicContact CD2-CD2 4.47Å; L204-Y233 HydrophobicContact CD2-CE2 4.3Å; L204-Y233 HydrophobicContact CG-CE2 4.05Å; L204-Y233 WeakPolarHBondContact O-CE2 3.39Å; L204-Y233 PolarHBondContact O-OH 2.83Å; Y220-Y233 HydrophobicContact CE2-CD2 4.48Å; Y220-Y233 AromaticContact CE2-CE2 3.77Å; Y220-Y233 HydrophobicContact CE2-CE2 3.77Å; C229-Y233 WeakPolarHBondContact O-CD2 3.49Å; C229-Y233 PolarHBondContact O-N 2.85Å; R231-Y233 VanDerWaalsContact C-N 3.26Å; R231-Y233 PolarHBondContact O-N 2.94Å; Y233-S239 WeakPolarHBondContact CD1-OG 3.41Å; Y233-S239 WeakPolarHBondContact CE1-OG 3.47Å; Y233-Y241 AromaticContact CE1-CD2 3.96Å; Y233-Y241 HydrophobicContact CE1-CD2 3.96Å; Y233-Y241 HydrophobicContact CE1-CG 4.47Å; Y233-K242 PolarHBondContact O-NZ 3.3Å; Y233-P243 HydrophobicContact CD2-CG 3.89Å; Y233-P243 HydrophobicContact CG-CG 4.03Å |
| 234 | T | 93.7 | Very high | 95.2 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 28% | 0.276 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 178 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | P122 L230 R231 | P122-T234 HydrophobicContact CB-CG2 4.23Å; P122-T234 HydrophobicContact CG-CG2 4.09Å; L230-T234 VanDerWaalsContact O-CB 3.24Å; L230-T234 WeakPolarHBondContact O-CB 3.45Å; L230-T234 PolarHBondContact O-N 2.96Å; L230-T234 VanDerWaalsContact O-N 3.09Å; L230-T234 PolarHBondContact O-OG1 2.88Å; R231-T234 PolarHBondContact O-N 2.76Å; R231-T234 VanDerWaalsContact O-N 3.09Å |
| 235 | E | 93.2 | Very high | 95.4 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75.2 | -26.1 | 178.9 | -69.4 | 175 | 175.7 | 0 | 0 | 112.8 | R231 F237 | R231-E235 WeakPolarHBondContact CD-OE1 3.39Å; R231-E235 VanDerWaalsContact CG-CD 3.4Å; R231-E235 HydrophobicContact CG-CG 4.17Å; R231-E235 WeakPolarHBondContact CG-OE1 3.46Å; R231-E235 IonicContact NE-OE1 2.73Å; R231-E235 IonicContact NE-OE2 3Å; R231-E235 WeakPolarHBondContact O-CB 3.47Å; R231-E235 WeakPolarHBondContact O-CG 3.4Å; R231-E235 PolarHBondContact O-N 3.21Å; E235-F237 PolarHBondContact O-N 3.45Å |
| 236 | N | 94.4 | Very high | 95.6 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 40% | 0.401 | 24% | 0.244 | S | C | . | . | trans | -83.9 | 93.2 | 176.3 | -174.4 | -3.9 | 0 | 0 | 0 | 111.9 | E232 E238 S239 K242 | E232-N236 WeakPolarHBondContact O-CB 3.4Å; E232-N236 PolarHBondContact O-N 2.94Å; E232-N236 VanDerWaalsContact O-N 3.17Å; N236-E238 PolarHBondContact O-N 3.26Å; N236-E238 PolarHBondContact OD1-N 2.94Å; N236-S239 WeakPolarHBondContact O-CB 3.49Å; N236-S239 PolarHBondContact O-N 3.29Å; N236-S239 VanDerWaalsContact O-N 3.07Å; N236-S239 PolarHBondContact OD1-N 2.83Å; N236-K242 PolarHBondContact O-NZ 3.18Å | ||
| 237 | F | 90.5 | Very high | 95.6 | Very high | 188 Ų | 188 | 53.4 Ų | 53.4 | 83% | 0.825 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.5 | 176.8 | -65.7 | -79.1 | 0 | 0 | 0 | 114.2 | E235 S239 | E235-F237 PolarHBondContact O-N 3.45Å; F237-S239 VanDerWaalsContact C-N 3.33Å |
| 238 | E | 94.9 | Very high | 95.6 | Very high | 189 Ų | 189 | 53.4 Ų | 53.4 | 88% | 0.883 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.9 | 179.5 | -60.4 | -174.6 | 165.5 | 0 | 0 | 112.8 | N236 K240 | N236-E238 PolarHBondContact O-N 3.26Å; N236-E238 PolarHBondContact OD1-N 2.94Å; E238-K240 PolarHBondContact O-N 3.35Å |
| 239 | S | 92.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | trans | -64.3 | 133.5 | 179.3 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | Y233 N236 F237 Y241 K242 | Y233-S239 WeakPolarHBondContact CD1-OG 3.41Å; Y233-S239 WeakPolarHBondContact CE1-OG 3.47Å; N236-S239 WeakPolarHBondContact O-CB 3.49Å; N236-S239 PolarHBondContact O-N 3.29Å; N236-S239 VanDerWaalsContact O-N 3.07Å; N236-S239 PolarHBondContact OD1-N 2.83Å; F237-S239 VanDerWaalsContact C-N 3.33Å; S239-Y241 VanDerWaalsContact C-N 3.3Å; S239-Y241 PolarHBondContact OG-N 3.36Å; S239-Y241 PolarHBondContact OG-O 2.99Å; S239-K242 WeakPolarHBondContact O-CE 3.46Å | ||
| 240 | K | 93.8 | Very high | 95.7 | Very high | 174 Ų | 174 | 52.6 Ų | 52.6 | 76% | 0.757 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -64 | -35.2 | 171 | -178.2 | -174.2 | 171.7 | -163.4 | 0 | 112 | E238 | E238-K240 PolarHBondContact O-N 3.35Š|
| 241 | Y | 94.6 | Very high | 95.6 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | trans | -90.9 | 141.4 | -176.8 | -57.2 | -60.8 | 0 | 0 | 0 | 111.1 | D180 L204 Y233 S239 | D180-Y241 HydrophobicContact CB-CE1 4.27Å; D180-Y241 WeakPolarHBondContact OD2-CE1 3.1Å; L204-Y241 HydrophobicContact CD1-CD1 3.65Å; L204-Y241 HydrophobicContact CD1-CD2 4.14Å; L204-Y241 HydrophobicContact CD1-CE1 4.05Å; L204-Y241 HydrophobicContact CD1-CE2 4.48Å; L204-Y241 HydrophobicContact CD1-CG 3.71Å; L204-Y241 HydrophobicContact CG-CD1 4.36Å; L204-Y241 HydrophobicContact CG-CD2 4.18Å; L204-Y241 HydrophobicContact CG-CG 3.91Å; Y233-Y241 AromaticContact CE1-CD2 3.96Å; Y233-Y241 HydrophobicContact CE1-CD2 3.96Å; Y233-Y241 HydrophobicContact CE1-CG 4.47Å; S239-Y241 VanDerWaalsContact C-N 3.3Å; S239-Y241 PolarHBondContact OG-N 3.36Å; S239-Y241 PolarHBondContact OG-O 2.99Å | ||
| 242 | K | 94.7 | Very high | 95.6 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | trans | -135.2 | 73.6 | -179.9 | -64.3 | -65.3 | 170.2 | -168 | 0 | 110.7 | E136 Y233 N236 S239 A244 | E136-K242 PolarHBondContact OE1-N 3.36Å; Y233-K242 PolarHBondContact O-NZ 3.3Å; N236-K242 PolarHBondContact O-NZ 3.18Å; S239-K242 WeakPolarHBondContact O-CE 3.46Å; K242-A244 PolarHBondContact O-N 3.43Å | ||
| 243 | P | 97.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | trans | -55 | 126.7 | 177.3 | 25.8 | -32.4 | 0 | 0 | 0 | 110.2 | E136 L204 L230 Y233 | E136-P243 HydrophobicContact CB-CB 4.41Å; E136-P243 CarbonylContact O-C 3.43Å; E136-P243 VanDerWaalsContact O-CA 3.25Å; E136-P243 WeakPolarHBondContact O-CA 3.44Å; L204-P243 HydrophobicContact CD2-CB 3.97Å; L204-P243 HydrophobicContact CD2-CG 4.19Å; L230-P243 HydrophobicContact CD1-CB 4.18Å; L230-P243 HydrophobicContact CD1-CG 4.22Å; L230-P243 WeakPolarHBondContact CD1-O 3.08Å; Y233-P243 HydrophobicContact CD2-CG 3.89Å; Y233-P243 HydrophobicContact CG-CG 4.03Å | ||
| 244 | A | 97.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | trans | -87.6 | -27 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K121 P122 I125 V127 K135 E136 K242 | K121-A244 VanDerWaalsContact CB-O 3.26Å; K121-A244 WeakPolarHBondContact CB-O 3.31Å; P122-A244 VanDerWaalsContact CD-O 3.3Å; P122-A244 WeakPolarHBondContact CD-O 3.5Å; I125-A244 HydrophobicContact CG2-CB 4.31Å; V127-A244 HydrophobicContact CG2-CB 3.96Å; K135-A244 HydrophobicContact CB-CB 4.14Å; K135-A244 HydrophobicContact CG-CB 4.49Å; E136-A244 PolarHBondContact O-N 2.91Å; K242-A244 PolarHBondContact O-N 3.43Å | ||
| 245 | V | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 145.6 | -171 | -171.5 | 0 | 0 | 0 | 0 | 110.4 | M119 I120 K121 V127 L132 I137 C138 F247 L269 | M119-V245 HydrophobicContact CB-CG1 3.62Å; M119-V245 HydrophobicContact CG-CG1 4.02Å; M119-V245 HydrophobicContact SD-CG1 4Å; I120-V245 CarbonylContact O-C 3.54Å; I120-V245 VanDerWaalsContact O-CA 3.25Å; I120-V245 WeakPolarHBondContact O-CA 3.28Å; I120-V245 WeakPolarHBondContact O-CG1 3.45Å; K121-V245 HydrophobicContact CB-CG2 4.35Å; V127-V245 HydrophobicContact CG1-CG2 3.9Å; L132-V245 HydrophobicContact CD2-CG2 3.77Å; I137-V245 WeakPolarHBondContact CA-O 3.21Å; I137-V245 HydrophobicContact CG2-CB 4.44Å; C138-V245 PolarHBondContact N-O 3.46Å; V245-F247 HydrophobicContact CB-CE1 4.16Å; V245-F247 HydrophobicContact CG1-CD1 3.89Å; V245-F247 HydrophobicContact CG1-CE1 3.69Å; V245-L269 HydrophobicContact CG1-CD2 4.38Å; V245-L269 HydrophobicContact CG2-CD2 4.05Å |
| 246 | A | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M119 I120 C138 A226 L230 L248 | M119-A246 WeakPolarHBondContact CA-O 3.18Å; I120-A246 HydrophobicContact CG2-CB 3.88Å; I120-A246 PolarHBondContact N-O 3Å; I120-A246 PolarHBondContact O-N 2.92Å; C138-A246 HydrophobicContact CB-CB 4.13Å; C138-A246 CarbonylContact O-C 3.57Å; C138-A246 WeakPolarHBondContact O-CA 3.39Å; A226-A246 HydrophobicContact CB-CB 4.41Å; L230-A246 HydrophobicContact CB-CB 4.07Å; L230-A246 HydrophobicContact CD2-CB 3.86Å; L230-A246 HydrophobicContact CG-CB 4.47Å; A246-L248 HydrophobicContact CB-CD2 3.58Å |
| 247 | F | 98.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.2 | -179.4 | -57.4 | -2.3 | 0 | 0 | 0 | 109.6 | M119 I137 C138 A140 P151 L155 V245 | M119-F247 HydrophobicContact CB-CD1 4.46Å; M119-F247 HydrophobicContact CE-CD1 3.82Å; M119-F247 HydrophobicContact CE-CD2 4.29Å; M119-F247 HydrophobicContact CE-CE1 3.42Å; M119-F247 VanDerWaalsContact CE-CE1 3.42Å; M119-F247 HydrophobicContact CE-CE2 3.9Å; M119-F247 HydrophobicContact CE-CG 4.26Å; M119-F247 HydrophobicContact CE-CZ 3.46Å; M119-F247 VanDerWaalsContact CE-CZ 3.46Å; M119-F247 HydrophobicContact CG-CD1 3.56Å; M119-F247 HydrophobicContact CG-CE1 3.82Å; M119-F247 HydrophobicContact CG-CG 4.35Å; M119-F247 HydrophobicContact SD-CD1 3.8Å; M119-F247 HydrophobicContact SD-CE1 3.37Å; M119-F247 WeakPolarHBondContact SD-CE1 3.1Å; M119-F247 HydrophobicContact SD-CZ 3.99Å; I137-F247 HydrophobicContact CB-CE1 4.45Å; I137-F247 HydrophobicContact CB-CZ 4.47Å; I137-F247 HydrophobicContact CD1-CD2 4Å; I137-F247 HydrophobicContact CD1-CE1 4.19Å; I137-F247 HydrophobicContact CD1-CE2 3.41Å; I137-F247 VanDerWaalsContact CD1-CE2 3.41Å; I137-F247 HydrophobicContact CD1-CZ 3.52Å; I137-F247 HydrophobicContact CG2-CE1 4.22Å; I137-F247 HydrophobicContact CG2-CZ 4.18Å; C138-F247 PolarHBondContact O-N 2.74Å; A140-F247 PolarHBondContact N-O 3Å; A140-F247 VanDerWaalsContact N-O 3.11Å; P151-F247 HydrophobicContact CB-CD2 3.74Å; P151-F247 HydrophobicContact CB-CE2 3.99Å; P151-F247 HydrophobicContact CB-CG 4.2Å; P151-F247 HydrophobicContact CG-CB 4.29Å; P151-F247 HydrophobicContact CG-CD2 3.68Å; P151-F247 HydrophobicContact CG-CE2 4.33Å; P151-F247 HydrophobicContact CG-CG 4.19Å; L155-F247 HydrophobicContact CD1-CZ 4.48Å; V245-F247 HydrophobicContact CB-CE1 4.16Å; V245-F247 HydrophobicContact CG1-CD1 3.89Å; V245-F247 HydrophobicContact CG1-CE1 3.69Å |
| 248 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 177.4 | -171.2 | 55.5 | 120.6 | 0 | 0 | 0 | 113.4 | V118 I120 N223 A226 L227 A246 E252 I253 | V118-L248 HydrophobicContact CG2-CD1 4.43Å; V118-L248 HydrophobicContact CG2-CG 4.47Å; V118-L248 WeakPolarHBondContact CG2-O 3.41Å; V118-L248 PolarHBondContact N-O 3.26Å; V118-L248 PolarHBondContact O-N 2.76Å; V118-L248 VanDerWaalsContact O-N 3.09Å; V118-L248 VanDerWaalsContact O-O 3.11Å; I120-L248 HydrophobicContact CG2-CD2 3.75Å; N223-L248 HydrophobicContact CB-CB 4.2Å; N223-L248 WeakPolarHBondContact OD1-CA 3.28Å; N223-L248 WeakPolarHBondContact OD1-CB 3.31Å; A226-L248 HydrophobicContact CB-CD2 4.39Å; L227-L248 HydrophobicContact CD1-CD1 3.99Å; L227-L248 HydrophobicContact CD2-CD1 3.9Å; L227-L248 HydrophobicContact CD2-CD2 3.61Å; L227-L248 HydrophobicContact CD2-CG 4.44Å; L227-L248 HydrophobicContact CG-CD1 3.94Å; L227-L248 HydrophobicContact CG-CD2 3.81Å; A246-L248 HydrophobicContact CB-CD2 3.58Å; L248-E252 HydrophobicContact CD1-CB 4Å; L248-I253 HydrophobicContact CD1-CD1 4.44Å; L248-I253 HydrophobicContact CD1-CG1 3.8Å |
| 249 | R | 97.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 135.7 | 175.4 | 161.9 | 178.9 | -175.5 | 178 | 3.9 | 111.6 | Y102 Y115 Y116 E146 N223 Q251 E252 S355 F357 | Y102-R249 PolarHBondContact OH-NH1 2.85Å; Y102-R249 PolarHBondContact OH-NH2 2.81Å; Y115-R249 HydrophobicContact CD2-CB 3.87Å; Y115-R249 HydrophobicContact CD2-CG 3.46Å; Y115-R249 VanDerWaalsContact CD2-CG 3.46Å; Y115-R249 HydrophobicContact CE2-CB 3.94Å; Y115-R249 HydrophobicContact CE2-CG 3.99Å; Y115-R249 HydrophobicContact CG-CG 4.02Å; Y116-R249 WeakPolarHBondContact O-CA 3.31Å; E146-R249 HydrophobicContact CB-CB 4.41Å; E146-R249 HydrophobicContact CG-CB 4.01Å; N223-R249 PolarHBondContact OD1-N 3.2Å; R249-Q251 VanDerWaalsContact CZ-OE1 3.29Å; R249-Q251 VanDerWaalsContact NE-OE1 3.12Å; R249-Q251 PolarHBondContact O-N 2.85Å; R249-E252 HydrophobicContact CB-CG 3.7Å; R249-E252 HydrophobicContact CG-CG 3.9Å; R249-E252 WeakPolarHBondContact O-CB 3.03Å; R249-E252 WeakPolarHBondContact O-CG 3.05Å; R249-E252 PolarHBondContact O-N 3.23Å; R249-E252 VanDerWaalsContact O-N 3.09Å; R249-S355 PolarHBondContact NH1-OG 2.91Å; R249-F357 VanDerWaalsContact CZ-CD2 3.43Å |
| 250 | D | 96.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -43.1 | -173.2 | 69.3 | -44.8 | 0 | 0 | 0 | 115.6 | Y116 V118 E252 I253 S286 | Y116-D250 PolarHBondContact N-OD1 2.74Å; Y116-D250 VanDerWaalsContact N-OD1 3.07Å; Y116-D250 PolarHBondContact O-N 3.1Å; V118-D250 HydrophobicContact CG1-CB 3.74Å; V118-D250 HydrophobicContact CG2-CB 4.13Å; D250-E252 PolarHBondContact O-N 3.25Å; D250-E252 VanDerWaalsContact O-N 3.16Å; D250-I253 PolarHBondContact O-N 2.97Å; D250-S286 PolarHBondContact OD2-OG 2.78Å |
| 251 | Q | 95 | Very high | 95.1 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.8 | -178.2 | -66.5 | 173.1 | -48.1 | 0 | 0 | 113.9 | R249 I253 E254 L255 F357 | R249-Q251 VanDerWaalsContact CZ-OE1 3.29Å; R249-Q251 VanDerWaalsContact NE-OE1 3.12Å; R249-Q251 PolarHBondContact O-N 2.85Å; Q251-I253 VanDerWaalsContact C-N 3.26Å; Q251-I253 PolarHBondContact O-N 2.7Å; Q251-E254 PolarHBondContact O-N 3.16Å; Q251-L255 PolarHBondContact O-N 3.03Å; Q251-F357 HydrophobicContact CB-CD1 4.31Å; Q251-F357 HydrophobicContact CB-CD2 4.2Å; Q251-F357 HydrophobicContact CB-CE1 3.96Å; Q251-F357 HydrophobicContact CB-CE2 3.85Å; Q251-F357 HydrophobicContact CB-CG 4.43Å; Q251-F357 HydrophobicContact CB-CZ 3.72Å; Q251-F357 VanDerWaalsContact O-CZ 3.27Å; Q251-F357 WeakPolarHBondContact O-CZ 3.45Å |
| 252 | E | 95.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.5 | -24.6 | -177.2 | -59.6 | -75.4 | 173.5 | 0 | 0 | 112.4 | N223 Q224 L227 L248 R249 D250 L255 A256 H351 F357 | N223-E252 HydrophobicContact CB-CB 3.97Å; N223-E252 HydrophobicContact CB-CG 3.41Å; N223-E252 VanDerWaalsContact CB-CG 3.41Å; Q224-E252 PolarHBondContact NE2-O 3.24Å; Q224-E252 VanDerWaalsContact NE2-O 3.08Å; Q224-E252 PolarHBondContact NE2-OE2 2.8Å; L227-E252 HydrophobicContact CD1-CB 4.3Å; L248-E252 HydrophobicContact CD1-CB 4Å; R249-E252 HydrophobicContact CB-CG 3.7Å; R249-E252 HydrophobicContact CG-CG 3.9Å; R249-E252 WeakPolarHBondContact O-CB 3.03Å; R249-E252 WeakPolarHBondContact O-CG 3.05Å; R249-E252 PolarHBondContact O-N 3.23Å; R249-E252 VanDerWaalsContact O-N 3.09Å; D250-E252 PolarHBondContact O-N 3.25Å; D250-E252 VanDerWaalsContact O-N 3.16Å; E252-L255 PolarHBondContact O-N 3.26Å; E252-A256 VanDerWaalsContact O-CB 3.25Å; E252-A256 WeakPolarHBondContact O-CB 3.26Å; E252-A256 PolarHBondContact O-N 3.29Å; E252-H351 IonicContact OE1-CD2 2.91Å; E252-H351 IonicContact OE1-CE1 3.05Å; E252-H351 PolarHBondContact OE1-CE1 3.34Å; E252-H351 IonicContact OE1-NE2 3.8Å; E252-H351 PolarHBondContact OE1-NE2 2.93Å; E252-H351 VanDerWaalsContact OE1-NE2 3.12Å; E252-H351 IonicContact OE2-CE1 3.95Å; E252-H351 IonicContact OE2-NE2 2.72Å; E252-H351 PolarHBondContact OE2-NE2 3.27Å; E252-F357 HydrophobicContact CG-CE2 4.41Å; E252-F357 WeakPolarHBondContact OE1-CE2 3.4Å |
| 253 | I | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | -179.6 | -56.4 | 165.8 | 0 | 0 | 0 | 110.5 | V118 I120 L227 L248 D250 Q251 S257 I263 L268 I283 | V118-I253 HydrophobicContact CG2-CD1 4.19Å; I120-I253 HydrophobicContact CD1-CD1 3.99Å; I120-I253 HydrophobicContact CD1-CG1 4.21Å; I120-I253 HydrophobicContact CD1-CG2 4.24Å; L227-I253 HydrophobicContact CD2-CG1 4.5Å; L248-I253 HydrophobicContact CD1-CD1 4.44Å; L248-I253 HydrophobicContact CD1-CG1 3.8Å; D250-I253 PolarHBondContact O-N 2.97Å; Q251-I253 VanDerWaalsContact C-N 3.26Å; Q251-I253 PolarHBondContact O-N 2.7Å; I253-S257 PolarHBondContact O-N 3.49Å; I253-I263 HydrophobicContact CG2-CG2 3.68Å; I253-L268 HydrophobicContact CD1-CD2 3.94Å; I253-I283 HydrophobicContact CB-CG2 4.11Å; I253-I283 HydrophobicContact CD1-CG2 3.97Å; I253-I283 HydrophobicContact CG2-CD1 4.02Å; I253-I283 HydrophobicContact CG2-CG1 4.45Å; I253-I283 HydrophobicContact CG2-CG2 3.63Å |
| 254 | E | 93.4 | Very high | 95 | Very high | 163 Ų | 163 | 35.8 Ų | 35.8 | 76% | 0.762 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -70.2 | -38.9 | 177.1 | -172.7 | 173 | -167.5 | 0 | 0 | 111.3 | Q251 S257 G258 | Q251-E254 PolarHBondContact O-N 3.16Å; E254-S257 VanDerWaalsContact O-CB 3.31Å; E254-S257 WeakPolarHBondContact O-CB 3.37Å; E254-S257 PolarHBondContact O-N 3.11Å; E254-G258 PolarHBondContact O-N 3.04Å |
| 255 | L | 93.5 | Very high | 95 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 173.8 | -178.3 | 59 | 0 | 0 | 0 | 111.1 | Q251 E252 S257 G258 H350 F357 | Q251-L255 PolarHBondContact O-N 3.03Å; E252-L255 PolarHBondContact O-N 3.26Å; L255-S257 PolarHBondContact O-N 3.37Å; L255-G258 WeakPolarHBondContact O-CA 3.39Å; L255-G258 PolarHBondContact O-N 2.76Å; L255-H350 HydrophobicContact CD2-CB 4.33Å; L255-F357 HydrophobicContact CB-CE1 4.14Å; L255-F357 HydrophobicContact CB-CZ 3.82Å; L255-F357 HydrophobicContact CD2-CE1 4.28Å; L255-F357 HydrophobicContact CD2-CE2 4.35Å; L255-F357 HydrophobicContact CD2-CZ 3.72Å; L255-F357 HydrophobicContact CG-CZ 4.39Å |
| 256 | A | 93.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -31.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q224 L227 E252 G258 D259 G260 F261 | Q224-A256 VanDerWaalsContact OE1-CB 3.29Å; L227-A256 HydrophobicContact CD1-CB 3.5Å; L227-A256 VanDerWaalsContact CD1-CB 3.5Å; E252-A256 VanDerWaalsContact O-CB 3.25Å; E252-A256 WeakPolarHBondContact O-CB 3.26Å; E252-A256 PolarHBondContact O-N 3.29Å; A256-G258 PolarHBondContact O-N 2.82Å; A256-D259 CarbonylContact O-C 3.57Å; A256-D259 WeakPolarHBondContact O-CA 3.28Å; A256-D259 PolarHBondContact O-N 2.78Å; A256-G260 PolarHBondContact O-N 3.07Å; A256-F261 VanDerWaalsContact C-CB 3.48Å; A256-F261 HydrophobicContact CB-CB 3.68Å; A256-F261 HydrophobicContact CB-CG 4.15Å; A256-F261 WeakPolarHBondContact O-CB 3.48Å; A256-F261 PolarHBondContact O-N 2.98Å |
| 257 | S | 93.7 | Very high | 94.9 | Very high | 44 Ų | 44 | 42 Ų | 42 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 173.4 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | I253 E254 L255 D259 G260 | I253-S257 PolarHBondContact O-N 3.49Å; E254-S257 VanDerWaalsContact O-CB 3.31Å; E254-S257 WeakPolarHBondContact O-CB 3.37Å; E254-S257 PolarHBondContact O-N 3.11Å; L255-S257 PolarHBondContact O-N 3.37Å; S257-D259 PolarHBondContact O-N 2.03Å; S257-G260 PolarHBondContact O-N 3.28Å |
| 258 | G | 90.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 72% | 0.722 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.4 | -29.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E254 L255 A256 G260 | E254-G258 PolarHBondContact O-N 3.04Å; L255-G258 WeakPolarHBondContact O-CA 3.39Å; L255-G258 PolarHBondContact O-N 2.76Å; A256-G258 PolarHBondContact O-N 2.82Å; G258-G260 VanDerWaalsContact C-N 3.35Å |
| 259 | D | 89.5 | Confident | 94.9 | Very high | 77 Ų | 77 | 42 Ų | 42 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 10.5 | 176.8 | -54.6 | -50.9 | 0 | 0 | 0 | 113.2 | A256 S257 H350 | A256-D259 CarbonylContact O-C 3.57Å; A256-D259 WeakPolarHBondContact O-CA 3.28Å; A256-D259 PolarHBondContact O-N 2.78Å; S257-D259 PolarHBondContact O-N 2.03Å; D259-H350 IonicContact OD2-CE1 3.15Å; D259-H350 PolarHBondContact OD2-CE1 2.89Å; D259-H350 IonicContact OD2-NE2 2.75Å; D259-H350 PolarHBondContact OD2-NE2 3.4Å |
| 260 | G | 91 | Very high | 94.9 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 22.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | R231 A256 S257 G258 | R231-G260 PolarHBondContact NH1-O 3.22Å; A256-G260 PolarHBondContact O-N 3.07Å; S257-G260 PolarHBondContact O-N 3.28Å; G258-G260 VanDerWaalsContact C-N 3.35Å |
| 261 | F | 93.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -71.4 | 122.2 | 166.2 | -174.8 | -91.8 | 0 | 0 | 0 | 110.2 | I120 L227 R231 A256 I263 Y266 | I120-F261 HydrophobicContact CD1-CE1 4.16Å; I120-F261 HydrophobicContact CD1-CZ 4.33Å; L227-F261 HydrophobicContact CB-CD2 4.12Å; L227-F261 HydrophobicContact CB-CE2 3.96Å; L227-F261 HydrophobicContact CD2-CE1 4.21Å; L227-F261 HydrophobicContact CD2-CE2 3.95Å; L227-F261 HydrophobicContact CD2-CZ 3.75Å; L227-F261 WeakPolarHBondContact O-CE2 3.34Å; R231-F261 HydrophobicContact CB-CD2 4.06Å; R231-F261 HydrophobicContact CB-CE2 3.91Å; R231-F261 HydrophobicContact CG-CD2 4.4Å; A256-F261 VanDerWaalsContact C-CB 3.48Å; A256-F261 HydrophobicContact CB-CB 3.68Å; A256-F261 HydrophobicContact CB-CG 4.15Å; A256-F261 WeakPolarHBondContact O-CB 3.48Å; A256-F261 PolarHBondContact O-N 2.98Å; F261-I263 VanDerWaalsContact C-N 3.35Å; F261-I263 HydrophobicContact CD1-CG2 3.86Å; F261-I263 HydrophobicContact CE1-CG2 4.43Å; F261-I263 PolarHBondContact O-N 2.83Å; F261-Y266 HydrophobicContact CD1-CD2 4.43Å; F261-Y266 AromaticContact CE1-CD2 3.44Å; F261-Y266 HydrophobicContact CE1-CD2 3.44Å; F261-Y266 VanDerWaalsContact CE1-CD2 3.44Å; F261-Y266 AromaticContact CE1-CE2 3.68Å; F261-Y266 HydrophobicContact CE1-CE2 3.68Å; F261-Y266 HydrophobicContact CE1-CG 4.01Å; F261-Y266 HydrophobicContact CE2-CD2 4.49Å; F261-Y266 AromaticContact CE2-CE2 3.96Å; F261-Y266 HydrophobicContact CE2-CE2 3.96Å; F261-Y266 HydrophobicContact CZ-CD1 4.1Å; F261-Y266 AromaticContact CZ-CD2 3.48Å; F261-Y266 HydrophobicContact CZ-CD2 3.48Å; F261-Y266 VanDerWaalsContact CZ-CD2 3.48Å; F261-Y266 HydrophobicContact CZ-CE1 4Å; F261-Y266 AromaticContact CZ-CE2 3.35Å; F261-Y266 HydrophobicContact CZ-CE2 3.35Å; F261-Y266 AromaticContact CZ-CG 3.88Å; F261-Y266 HydrophobicContact CZ-CG 3.88Å; F261-Y266 AromaticContact CZ-CZ 3.65Å | ||
| 262 | P | 95.5 | Very high | 94.9 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | trans | -81.4 | 79.1 | -172.3 | 31.5 | -32.9 | 0 | 0 | 0 | 111.1 | E264 N265 Y266 | P262-E264 VanDerWaalsContact C-OE2 3.28Å; P262-E264 PolarHBondContact O-N 2.79Å; P262-E264 VanDerWaalsContact O-N 3.07Å; P262-N265 WeakPolarHBondContact O-CB 3.47Å; P262-N265 PolarHBondContact O-N 3.01Å; P262-Y266 HydrophobicContact CG-CE2 4.13Å; P262-Y266 VanDerWaalsContact O-CD2 3.23Å; P262-Y266 WeakPolarHBondContact O-CD2 3.44Å; P262-Y266 WeakPolarHBondContact O-CE2 3.38Å | ||
| 263 | I | 94.7 | Very high | 94.9 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 30% | 0.303 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -52.7 | -30.6 | -174 | 56.7 | 170.2 | 0 | 0 | 0 | 113.8 | I253 F261 N265 Y266 I283 | I253-I263 HydrophobicContact CG2-CG2 3.68Å; F261-I263 VanDerWaalsContact C-N 3.35Å; F261-I263 HydrophobicContact CD1-CG2 3.86Å; F261-I263 HydrophobicContact CE1-CG2 4.43Å; F261-I263 PolarHBondContact O-N 2.83Å; I263-N265 PolarHBondContact O-N 2.92Å; I263-Y266 PolarHBondContact O-N 3.28Å; I263-Y266 VanDerWaalsContact O-N 3.16Å; I263-I283 HydrophobicContact CB-CD1 4.01Å; I263-I283 WeakPolarHBondContact O-CD1 3.33Å |
| 264 | E | 94.9 | Very high | 94.9 | Very high | 132 Ų | 132 | 50.2 Ų | 50.2 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -64.5 | -18.6 | 179.7 | 66.5 | -85.6 | -161.7 | 0 | 0 | 113.8 | I123 P262 Y266 | I123-E264 WeakPolarHBondContact CD1-O 2.91Å; P262-E264 VanDerWaalsContact C-OE2 3.28Å; P262-E264 PolarHBondContact O-N 2.79Å; P262-E264 VanDerWaalsContact O-N 3.07Å; E264-Y266 VanDerWaalsContact C-N 3.32Å |
| 265 | N | 96.5 | Very high | 94.9 | Very high | 87 Ų | 87 | 49 Ų | 49 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -89.1 | 0.7 | 179.3 | -66.1 | -26.6 | 0 | 0 | 0 | 113.1 | I123 P262 I263 | I123-N265 PolarHBondContact N-O 2.52Å; P262-N265 WeakPolarHBondContact O-CB 3.47Å; P262-N265 PolarHBondContact O-N 3.01Å; I263-N265 PolarHBondContact O-N 2.92Å |
| 266 | Y | 97.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.6 | -172.6 | -60.4 | -91.3 | 0 | 0 | 0 | 112.6 | I120 K121 P122 L230 R231 F261 P262 I263 E264 | I120-Y266 HydrophobicContact CD1-CD1 4.41Å; I120-Y266 HydrophobicContact CD1-CG 4.06Å; I120-Y266 HydrophobicContact CG1-CD1 4.32Å; I120-Y266 HydrophobicContact CG1-CG 4.31Å; K121-Y266 WeakPolarHBondContact O-CA 3.4Å; P122-Y266 HydrophobicContact CB-CD1 4.32Å; P122-Y266 HydrophobicContact CB-CE1 4.2Å; P122-Y266 HydrophobicContact CG-CD1 4.26Å; P122-Y266 HydrophobicContact CG-CE1 3.91Å; L230-Y266 HydrophobicContact CD2-CD1 3.87Å; L230-Y266 HydrophobicContact CD2-CE1 3.62Å; L230-Y266 HydrophobicContact CG-CE1 3.87Å; R231-Y266 WeakPolarHBondContact CA-OH 3.35Å; F261-Y266 HydrophobicContact CD1-CD2 4.43Å; F261-Y266 AromaticContact CE1-CD2 3.44Å; F261-Y266 HydrophobicContact CE1-CD2 3.44Å; F261-Y266 VanDerWaalsContact CE1-CD2 3.44Å; F261-Y266 AromaticContact CE1-CE2 3.68Å; F261-Y266 HydrophobicContact CE1-CE2 3.68Å; F261-Y266 HydrophobicContact CE1-CG 4.01Å; F261-Y266 HydrophobicContact CE2-CD2 4.49Å; F261-Y266 AromaticContact CE2-CE2 3.96Å; F261-Y266 HydrophobicContact CE2-CE2 3.96Å; F261-Y266 HydrophobicContact CZ-CD1 4.1Å; F261-Y266 AromaticContact CZ-CD2 3.48Å; F261-Y266 HydrophobicContact CZ-CD2 3.48Å; F261-Y266 VanDerWaalsContact CZ-CD2 3.48Å; F261-Y266 HydrophobicContact CZ-CE1 4Å; F261-Y266 AromaticContact CZ-CE2 3.35Å; F261-Y266 HydrophobicContact CZ-CE2 3.35Å; F261-Y266 AromaticContact CZ-CG 3.88Å; F261-Y266 HydrophobicContact CZ-CG 3.88Å; F261-Y266 AromaticContact CZ-CZ 3.65Å; P262-Y266 HydrophobicContact CG-CE2 4.13Å; P262-Y266 VanDerWaalsContact O-CD2 3.23Å; P262-Y266 WeakPolarHBondContact O-CD2 3.44Å; P262-Y266 WeakPolarHBondContact O-CE2 3.38Å; I263-Y266 PolarHBondContact O-N 3.28Å; I263-Y266 VanDerWaalsContact O-N 3.16Å; E264-Y266 VanDerWaalsContact C-N 3.32Å |
| 267 | E | 97.5 | Very high | 95 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 17% | 0.173 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 157.2 | 176 | 60.5 | 179.6 | 170.8 | 0 | 0 | 110.4 | I120 K121 I123 T280 | I120-E267 WeakPolarHBondContact CA-O 3.22Å; K121-E267 HydrophobicContact CD-CG 4.3Å; K121-E267 WeakPolarHBondContact CE-OE1 3.14Å; K121-E267 HydrophobicContact CG-CG 3.93Å; K121-E267 PolarHBondContact N-O 2.88Å; K121-E267 IonicContact NZ-OE1 3.96Å; K121-E267 PolarHBondContact NZ-OE1 2.89Å; K121-E267 PolarHBondContact O-N 3.1Å; I123-E267 HydrophobicContact CG1-CB 4.21Å; I123-E267 HydrophobicContact CG1-CG 4.12Å; E267-T280 HydrophobicContact CG-CG2 4.15Å; E267-T280 WeakPolarHBondContact OE2-CB 3.33Å; E267-T280 PolarHBondContact OE2-OG1 3.42Å |
| 268 | L | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.9 | 174.1 | -58.9 | -179.5 | 0 | 0 | 0 | 109.8 | V118 M119 I253 T280 A281 N282 I283 C289 | V118-L268 HydrophobicContact CB-CD2 4.16Å; V118-L268 HydrophobicContact CG1-CD2 4.41Å; V118-L268 HydrophobicContact CG2-CD2 4.38Å; M119-L268 CarbonylContact O-C 3.5Å; M119-L268 WeakPolarHBondContact O-CA 3.3Å; I253-L268 HydrophobicContact CD1-CD2 3.94Å; L268-T280 WeakPolarHBondContact O-CA 3.4Å; L268-T280 WeakPolarHBondContact O-CB 3.32Å; L268-A281 HydrophobicContact CB-CB 4.49Å; L268-A281 PolarHBondContact N-O 2.8Å; L268-A281 PolarHBondContact O-N 3.16Å; L268-A281 VanDerWaalsContact O-N 3.11Å; L268-N282 WeakPolarHBondContact CD1-O 3.48Å; L268-I283 HydrophobicContact CD2-CG1 4.41Å; L268-C289 VanDerWaalsContact CB-SG 3.56Å; L268-C289 HydrophobicContact CD1-CB 4.2Å |
| 269 | L | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.4 | 166.5 | 178 | 64.9 | 0 | 0 | 0 | 108.9 | M119 K121 V127 P129 V245 W279 T280 W291 | M119-L269 HydrophobicContact CB-CB 3.95Å; M119-L269 HydrophobicContact CB-CD2 4.46Å; M119-L269 PolarHBondContact O-N 2.84Å; M119-L269 HydrophobicContact SD-CD2 4.17Å; K121-L269 HydrophobicContact CD-CB 4.16Å; K121-L269 HydrophobicContact CD-CD1 4.25Å; K121-L269 HydrophobicContact CG-CB 4.21Å; V127-L269 HydrophobicContact CG1-CD2 4.27Å; P129-L269 HydrophobicContact CG-CD1 4.45Å; V245-L269 HydrophobicContact CG1-CD2 4.38Å; V245-L269 HydrophobicContact CG2-CD2 4.05Å; L269-W279 HydrophobicContact CD1-CB 4.29Å; L269-T280 HydrophobicContact CD1-CG2 4.43Å; L269-W291 PolarHBondContact O-NE1 3.06Å |
| 270 | C | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 147.6 | -175.8 | -46.6 | 0 | 0 | 0 | 0 | 111.3 | P129 S272 W279 C289 | P129-C270 WeakPolarHBondContact CG-O 3.31Å; C270-S272 VanDerWaalsContact CB-O 3.29Å; C270-S272 WeakPolarHBondContact CB-O 3.47Å; C270-S272 PolarHBondContact O-N 2.72Å; C270-W279 WeakPolarHBondContact CB-O 3.34Å; C270-W279 PolarHBondContact N-O 2.85Å; C270-W279 PolarHBondContact SG-O 2.97Å; C270-C289 WeakPolarHBondContact CA-SG 3.32Å; C270-C289 HydrophobicContact CB-CB 4.09Å; C270-C289 WeakPolarHBondContact CB-SG 3.13Å; C270-C289 WeakPolarHBondContact SG-CB 3.39Å; C270-C289 CovalentContact SG-SG 2.03Å; C270-C289 PolarHBondContact SG-SG 2.86Å |
| 271 | P | 96 | Very high | 96 | Very high | 26 Ų | 26 | 51.1 Ų | 51.1 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -72.4 | -11.5 | 177 | 31.8 | -38.3 | 0 | 0 | 0 | 113.5 | T154 W279 N290 W291 | T154-P271 HydrophobicContact CG2-CB 4.4Å; P271-W279 WeakPolarHBondContact O-CZ3 3.35Å; P271-N290 WeakPolarHBondContact CD-O 3.35Å; P271-N290 WeakPolarHBondContact CG-O 3.5Å; P271-W291 HydrophobicContact CB-CD2 3.95Å; P271-W291 HydrophobicContact CB-CE3 4.04Å; P271-W291 HydrophobicContact CB-CG 4.48Å; P271-W291 HydrophobicContact CB-CH2 4.41Å; P271-W291 HydrophobicContact CB-CZ2 4.27Å; P271-W291 HydrophobicContact CB-CZ3 4.28Å |
| 272 | S | 95.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -141.6 | 162.1 | 177.4 | 64.1 | 0 | 0 | 0 | 0 | 110.2 | C270 M274 W279 | C270-S272 VanDerWaalsContact CB-O 3.29Å; C270-S272 WeakPolarHBondContact CB-O 3.47Å; C270-S272 PolarHBondContact O-N 2.72Å; S272-M274 PolarHBondContact O-N 3.33Å; S272-W279 VanDerWaalsContact C-CE3 3.46Å |
| 273 | K | 96 | Very high | 96.1 | Very high | 126 Ų | 126 | 56.5 Ų | 56.5 | 55% | 0.548 | 31% | 0.31 | S | S | . | . | trans | -67.4 | 129.2 | 175.6 | -72.1 | -178.6 | 173.4 | -171.8 | 0 | 110.4 | G277 I278 W279 | K273-G277 WeakPolarHBondContact CD-O 3.33Å; K273-I278 WeakPolarHBondContact CA-O 3.43Å; K273-W279 HydrophobicContact CD-CZ2 4.36Å; K273-W279 VanDerWaalsContact CE-NE1 3.34Å; K273-W279 HydrophobicContact CG-CD2 3.73Å; K273-W279 HydrophobicContact CG-CE3 4.21Å; K273-W279 HydrophobicContact CG-CG 4.21Å; K273-W279 HydrophobicContact CG-CH2 4.3Å; K273-W279 HydrophobicContact CG-CZ2 3.83Å; K273-W279 HydrophobicContact CG-CZ3 4.49Å | ||
| 274 | M | 95.4 | Very high | 96 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | trans | -63.1 | 163.6 | 169.6 | -66.3 | -63.3 | -75.5 | 0 | 0 | 110.3 | S272 N276 G277 I278 A281 D288 C289 | S272-M274 PolarHBondContact O-N 3.33Å; M274-N276 WeakPolarHBondContact CB-OD1 3.21Å; M274-N276 PolarHBondContact O-N 3.4Å; M274-G277 WeakPolarHBondContact O-CA 3.4Å; M274-G277 PolarHBondContact O-N 3.44Å; M274-I278 PolarHBondContact N-O 2.89Å; M274-A281 HydrophobicContact CE-CB 4.04Å; M274-A281 HydrophobicContact CG-CB 4.37Å; M274-A281 HydrophobicContact SD-CB 4.41Å; M274-D288 HydrophobicContact CE-CB 4.12Å; M274-C289 HydrophobicContact SD-CB 4.14Å | ||
| 275 | P | 94.4 | Very high | 96 | Very high | 139 Ų | 139 | 53.9 Ų | 53.9 | 90% | 0.903 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -23.7 | -176.8 | -28.8 | 36.2 | 0 | 0 | 0 | 115.6 | G277 | P275-G277 VanDerWaalsContact C-N 3.28Š|
| 276 | N | 93.2 | Very high | 96 | Very high | 112 Ų | 112 | 50.6 Ų | 50.6 | 60% | 0.599 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.4 | 174.7 | 59.4 | 2.3 | 0 | 0 | 0 | 113.9 | M274 I278 | M274-N276 WeakPolarHBondContact CB-OD1 3.21Å; M274-N276 PolarHBondContact O-N 3.4Å; N276-I278 VanDerWaalsContact CG-CG1 3.41Å; N276-I278 WeakPolarHBondContact ND2-CD1 3.1Å; N276-I278 VanDerWaalsContact ND2-CG1 3.31Å; N276-I278 WeakPolarHBondContact ND2-CG1 3.5Å; N276-I278 WeakPolarHBondContact OD1-CG1 3.23Å; N276-I278 PolarHBondContact OD1-N 2.69Å |
| 277 | G | 94.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 86.6 | 1.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K273 M274 P275 | K273-G277 WeakPolarHBondContact CD-O 3.33Å; M274-G277 WeakPolarHBondContact O-CA 3.4Å; M274-G277 PolarHBondContact O-N 3.44Å; P275-G277 VanDerWaalsContact C-N 3.28Å |
| 278 | I | 95.1 | Very high | 95.8 | Very high | 83 Ų | 83 | 57 Ų | 57 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | trans | -98.9 | 159.2 | 175.6 | 57.5 | 164.7 | 0 | 0 | 0 | 111.6 | K273 M274 N276 T280 | K273-I278 WeakPolarHBondContact CA-O 3.43Å; M274-I278 PolarHBondContact N-O 2.89Å; N276-I278 VanDerWaalsContact CG-CG1 3.41Å; N276-I278 WeakPolarHBondContact ND2-CD1 3.1Å; N276-I278 VanDerWaalsContact ND2-CG1 3.31Å; N276-I278 WeakPolarHBondContact ND2-CG1 3.5Å; N276-I278 WeakPolarHBondContact OD1-CG1 3.23Å; N276-I278 PolarHBondContact OD1-N 2.69Å; I278-T280 VanDerWaalsContact C-N 3.32Å | ||
| 279 | W | 96.4 | Very high | 95.7 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -88.7 | 4.7 | -179.4 | -67.3 | 103.2 | 0 | 0 | 0 | 113.7 | D128 P129 T130 L269 C270 P271 S272 K273 | D128-W279 HydrophobicContact CB-CB 4.15Å; D128-W279 HydrophobicContact CB-CD2 4.27Å; D128-W279 HydrophobicContact CB-CG 3.81Å; P129-W279 HydrophobicContact CB-CZ3 4.47Å; P129-W279 VanDerWaalsContact CD-CE3 3.45Å; P129-W279 HydrophobicContact CG-CD2 4.46Å; P129-W279 HydrophobicContact CG-CE3 3.68Å; P129-W279 HydrophobicContact CG-CZ3 3.81Å; T130-W279 HydrophobicContact CG2-CZ2 4.47Å; L269-W279 HydrophobicContact CD1-CB 4.29Å; C270-W279 WeakPolarHBondContact CB-O 3.34Å; C270-W279 PolarHBondContact N-O 2.85Å; C270-W279 PolarHBondContact SG-O 2.97Å; P271-W279 WeakPolarHBondContact O-CZ3 3.35Å; S272-W279 VanDerWaalsContact C-CE3 3.46Å; K273-W279 HydrophobicContact CD-CZ2 4.36Å; K273-W279 VanDerWaalsContact CE-NE1 3.34Å; K273-W279 HydrophobicContact CG-CD2 3.73Å; K273-W279 HydrophobicContact CG-CE3 4.21Å; K273-W279 HydrophobicContact CG-CG 4.21Å; K273-W279 HydrophobicContact CG-CH2 4.3Å; K273-W279 HydrophobicContact CG-CZ2 3.83Å; K273-W279 HydrophobicContact CG-CZ3 4.49Å |
| 280 | T | 97.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 10% | 0.104 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 155.8 | -174.2 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | K121 E267 L268 L269 I278 | K121-T280 HydrophobicContact CD-CG2 4.03Å; E267-T280 HydrophobicContact CG-CG2 4.15Å; E267-T280 WeakPolarHBondContact OE2-CB 3.33Å; E267-T280 PolarHBondContact OE2-OG1 3.42Å; L268-T280 WeakPolarHBondContact O-CA 3.4Å; L268-T280 WeakPolarHBondContact O-CB 3.32Å; L269-T280 HydrophobicContact CD1-CG2 4.43Å; I278-T280 VanDerWaalsContact C-N 3.32Å |
| 281 | A | 97.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 59 Ų | 59 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 162.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L268 M274 C289 | L268-A281 HydrophobicContact CB-CB 4.49Å; L268-A281 PolarHBondContact N-O 2.8Å; L268-A281 PolarHBondContact O-N 3.16Å; L268-A281 VanDerWaalsContact O-N 3.11Å; M274-A281 HydrophobicContact CE-CB 4.04Å; M274-A281 HydrophobicContact CG-CB 4.37Å; M274-A281 HydrophobicContact SD-CB 4.41Å; A281-C289 HydrophobicContact CB-CB 3.61Å |
| 282 | N | 95.8 | Very high | 95.6 | Very high | 105 Ų | 105 | 58.1 Ų | 58.1 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | trans | -63.5 | 149 | 171 | -169.7 | -72.7 | 0 | 0 | 0 | 110.1 | L268 S284 S285 | L268-N282 WeakPolarHBondContact CD1-O 3.48Å; N282-S284 PolarHBondContact O-N 3.01Å; N282-S284 VanDerWaalsContact O-N 3.15Å; N282-S284 PolarHBondContact OD1-N 3.02Å; N282-S284 PolarHBondContact OD1-OG 3.02Å; N282-S284 VanDerWaalsContact OD1-OG 3.07Å; N282-S285 WeakPolarHBondContact O-CB 3.16Å; N282-S285 PolarHBondContact O-N 3.13Å | ||
| 283 | I | 94.9 | Very high | 95.6 | Very high | 34 Ų | 34 | 59 Ų | 59 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -51.8 | -34.7 | 175.7 | -69.2 | 163.8 | 0 | 0 | 0 | 112.4 | I120 I253 I263 L268 S285 | I120-I283 HydrophobicContact CD1-CD1 4.22Å; I120-I283 HydrophobicContact CD1-CG1 4.47Å; I253-I283 HydrophobicContact CB-CG2 4.11Å; I253-I283 HydrophobicContact CD1-CG2 3.97Å; I253-I283 HydrophobicContact CG2-CD1 4.02Å; I253-I283 HydrophobicContact CG2-CG1 4.45Å; I253-I283 HydrophobicContact CG2-CG2 3.63Å; I263-I283 HydrophobicContact CB-CD1 4.01Å; I263-I283 WeakPolarHBondContact O-CD1 3.33Å; L268-I283 HydrophobicContact CD2-CG1 4.41Å; I283-S285 PolarHBondContact O-N 3.18Å; I283-S285 VanDerWaalsContact O-N 3.15Å |
| 284 | S | 93.4 | Very high | 95.6 | Very high | 101 Ų | 101 | 53 Ų | 53 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -68.8 | -8.4 | 177.4 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | N282 | N282-S284 PolarHBondContact O-N 3.01Å; N282-S284 VanDerWaalsContact O-N 3.15Å; N282-S284 PolarHBondContact OD1-N 3.02Å; N282-S284 PolarHBondContact OD1-OG 3.02Å; N282-S284 VanDerWaalsContact OD1-OG 3.07Å |
| 285 | S | 95.7 | Very high | 95.6 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -103.2 | 27 | -174.3 | -60.3 | 0 | 0 | 0 | 0 | 113 | N282 I283 A287 D288 C289 | N282-S285 WeakPolarHBondContact O-CB 3.16Å; N282-S285 PolarHBondContact O-N 3.13Å; I283-S285 PolarHBondContact O-N 3.18Å; I283-S285 VanDerWaalsContact O-N 3.15Å; S285-A287 PolarHBondContact O-N 3.18Å; S285-D288 PolarHBondContact O-N 3.32Å; S285-D288 VanDerWaalsContact O-N 3.07Å; S285-C289 PolarHBondContact O-N 2.8Å |
| 286 | S | 95.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 45 Ų | 45 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.7 | 179.8 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | D250 D288 C289 N290 | D250-S286 PolarHBondContact OD2-OG 2.78Å; S286-D288 VanDerWaalsContact C-N 3.25Å; S286-D288 PolarHBondContact O-N 2.82Å; S286-C289 CarbonylContact O-C 3.53Å; S286-C289 VanDerWaalsContact O-C 3.29Å; S286-C289 PolarHBondContact O-N 3.49Å; S286-N290 VanDerWaalsContact O-CB 3.28Å; S286-N290 WeakPolarHBondContact O-CB 3.42Å; S286-N290 PolarHBondContact O-ND2 3.03Å |
| 287 | A | 94.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y116 S285 N290 | Y116-A287 HydrophobicContact CE2-CB 4.31Å; S285-A287 PolarHBondContact O-N 3.18Å; A287-N290 PolarHBondContact O-ND2 3.03Å |
| 288 | D | 95.8 | Very high | 96 | Very high | 128 Ų | 128 | 40 Ų | 40 | 68% | 0.684 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -30.1 | 178.6 | -60.1 | -47.7 | 0 | 0 | 0 | 112.3 | M274 S285 S286 | M274-D288 HydrophobicContact CE-CB 4.12Å; S285-D288 PolarHBondContact O-N 3.32Å; S285-D288 VanDerWaalsContact O-N 3.07Å; S286-D288 VanDerWaalsContact C-N 3.25Å; S286-D288 PolarHBondContact O-N 2.82Å |
| 289 | C | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -117.5 | 82.9 | -178.7 | 178.1 | 0 | 0 | 0 | 0 | 110 | L268 C270 M274 A281 S285 S286 | L268-C289 VanDerWaalsContact CB-SG 3.56Å; L268-C289 HydrophobicContact CD1-CB 4.2Å; C270-C289 WeakPolarHBondContact CA-SG 3.32Å; C270-C289 HydrophobicContact CB-CB 4.09Å; C270-C289 WeakPolarHBondContact CB-SG 3.13Å; C270-C289 WeakPolarHBondContact SG-CB 3.39Å; C270-C289 CovalentContact SG-SG 2.03Å; C270-C289 PolarHBondContact SG-SG 2.86Å; M274-C289 HydrophobicContact SD-CB 4.14Å; A281-C289 HydrophobicContact CB-CB 3.61Å; S285-C289 PolarHBondContact O-N 2.8Å; S286-C289 CarbonylContact O-C 3.53Å; S286-C289 VanDerWaalsContact O-C 3.29Å; S286-C289 PolarHBondContact O-N 3.49Å |
| 290 | N | 97.4 | Very high | 96.2 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | trans | -137.6 | 155.4 | 175.1 | 57.8 | 91.8 | 0 | 0 | 0 | 111.2 | Y116 A117 V118 P271 S286 A287 G292 | Y116-N290 HydrophobicContact CD1-CB 3.88Å; Y116-N290 VanDerWaalsContact CD1-CG 3.45Å; Y116-N290 HydrophobicContact CG-CB 4.09Å; A117-N290 CarbonylContact O-C 3.52Å; A117-N290 WeakPolarHBondContact O-CA 3.26Å; A117-N290 WeakPolarHBondContact O-CB 3.4Å; V118-N290 HydrophobicContact CG1-CB 4.43Å; P271-N290 WeakPolarHBondContact CD-O 3.35Å; P271-N290 WeakPolarHBondContact CG-O 3.5Å; S286-N290 VanDerWaalsContact O-CB 3.28Å; S286-N290 WeakPolarHBondContact O-CB 3.42Å; S286-N290 PolarHBondContact O-ND2 3.03Å; A287-N290 PolarHBondContact O-ND2 3.03Å; N290-G292 VanDerWaalsContact C-N 3.31Å; N290-G292 PolarHBondContact OD1-N 3.44Å | ||
| 291 | W | 96.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -87.6 | -4.6 | 174.8 | -71.6 | 73 | 0 | 0 | 0 | 112.5 | A117 M119 P129 M150 P151 T154 L155 L159 L269 P271 | A117-W291 HydrophobicContact CB-CB 4.2Å; A117-W291 PolarHBondContact O-N 2.92Å; M119-W291 HydrophobicContact CE-CD2 3.71Å; M119-W291 HydrophobicContact CE-CE3 3.69Å; M119-W291 HydrophobicContact CE-CH2 3.48Å; M119-W291 VanDerWaalsContact CE-CH2 3.48Å; M119-W291 HydrophobicContact CE-CZ2 3.55Å; M119-W291 HydrophobicContact CE-CZ3 3.57Å; M119-W291 HydrophobicContact CG-CD2 4.13Å; M119-W291 HydrophobicContact CG-CG 4.26Å; M119-W291 HydrophobicContact CG-CZ2 4.03Å; M119-W291 HydrophobicContact SD-CD2 4.11Å; M119-W291 HydrophobicContact SD-CH2 3.69Å; M119-W291 HydrophobicContact SD-CZ2 3.2Å; M119-W291 WeakPolarHBondContact SD-CZ2 3.45Å; M119-W291 HydrophobicContact SD-CZ3 4.36Å; P129-W291 HydrophobicContact CB-CH2 3.9Å; P129-W291 HydrophobicContact CB-CZ2 4.3Å; P129-W291 HydrophobicContact CG-CH2 4.14Å; P129-W291 HydrophobicContact CG-CZ2 4.04Å; M150-W291 WeakPolarHBondContact CE-O 3.44Å; P151-W291 HydrophobicContact CB-CE3 4.4Å; T154-W291 HydrophobicContact CG2-CE3 3.82Å; T154-W291 HydrophobicContact CG2-CZ3 3.78Å; L155-W291 HydrophobicContact CD2-CH2 3.95Å; L155-W291 HydrophobicContact CD2-CZ3 4.04Å; L155-W291 HydrophobicContact CG-CH2 4.24Å; L155-W291 HydrophobicContact CG-CZ3 3.9Å; L159-W291 HydrophobicContact CD1-CH2 4.12Å; L159-W291 HydrophobicContact CD1-CZ3 4.13Å; L269-W291 PolarHBondContact O-NE1 3.06Å; P271-W291 HydrophobicContact CB-CD2 3.95Å; P271-W291 HydrophobicContact CB-CE3 4.04Å; P271-W291 HydrophobicContact CB-CG 4.48Å; P271-W291 HydrophobicContact CB-CH2 4.41Å; P271-W291 HydrophobicContact CB-CZ2 4.27Å; P271-W291 HydrophobicContact CB-CZ3 4.28Å |
| 292 | G | 95.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.5 | 146.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y116 A117 M150 N290 | Y116-G292 CarbonylContact C-O 3.59Å; Y116-G292 VanDerWaalsContact CA-O 3.31Å; Y116-G292 WeakPolarHBondContact CA-O 3.36Å; A117-G292 PolarHBondContact N-O 3.07Å; M150-G292 VanDerWaalsContact CE-CA 3.4Å; N290-G292 VanDerWaalsContact C-N 3.31Å; N290-G292 PolarHBondContact OD1-N 3.44Å |
| 293 | K | 95.1 | Very high | 96.1 | Very high | 89 Ų | 89 | 31 Ų | 31 | 39% | 0.387 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.5 | 164.3 | -173.7 | -175.1 | -176.9 | -174.3 | 0 | 108.6 | Y114 Y116 | Y114-K293 HydrophobicContact CD2-CD 4.15Å; Y114-K293 HydrophobicContact CD2-CG 3.93Å; Y114-K293 HydrophobicContact CG-CD 4.27Å; Y114-K293 HydrophobicContact CG-CG 4.16Å; Y116-K293 HydrophobicContact CD1-CB 4.17Å; Y116-K293 HydrophobicContact CD1-CG 4.43Å; Y116-K293 HydrophobicContact CE1-CB 4.01Å; Y116-K293 HydrophobicContact CE1-CG 4.04Å |
| 294 | I | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.4 | -175.2 | -56 | 164.8 | 0 | 0 | 0 | 108.9 | V82 Y114 Y115 A117 A145 E146 M150 F380 | V82-I294 HydrophobicContact CB-CG2 4.02Å; V82-I294 HydrophobicContact CG2-CG2 4Å; Y114-I294 CarbonylContact C-O 3.46Å; Y114-I294 WeakPolarHBondContact CA-O 3.47Å; Y114-I294 VanDerWaalsContact CB-O 3.23Å; Y114-I294 WeakPolarHBondContact CB-O 3.36Å; Y115-I294 HydrophobicContact CD2-CB 4.35Å; Y115-I294 HydrophobicContact CD2-CD1 4.31Å; Y115-I294 HydrophobicContact CE1-CB 4.12Å; Y115-I294 HydrophobicContact CE1-CG2 3.97Å; Y115-I294 HydrophobicContact CE2-CB 3.92Å; Y115-I294 HydrophobicContact CE2-CD1 3.54Å; Y115-I294 HydrophobicContact CE2-CG1 4.3Å; Y115-I294 HydrophobicContact CE2-CG2 4.27Å; Y115-I294 PolarHBondContact N-O 3.24Å; Y115-I294 PolarHBondContact O-N 3Å; Y115-I294 WeakPolarHBondContact OH-CG2 3.48Å; A117-I294 HydrophobicContact CB-CD1 3.71Å; A145-I294 HydrophobicContact CB-CB 4.44Å; A145-I294 HydrophobicContact CB-CD1 3.62Å; A145-I294 HydrophobicContact CB-CG1 4.12Å; A145-I294 HydrophobicContact CB-CG2 3.48Å; A145-I294 VanDerWaalsContact CB-CG2 3.48Å; E146-I294 HydrophobicContact CB-CD1 3.81Å; M150-I294 HydrophobicContact CG-CD1 3.85Å; M150-I294 HydrophobicContact CG-CG1 3.75Å; I294-F380 HydrophobicContact CG1-CD2 4.47Å; I294-F380 HydrophobicContact CG1-CE2 4.36Å; I294-F380 HydrophobicContact CG2-CD2 4.29Å; I294-F380 HydrophobicContact CG2-CE2 4.09Å |
| 295 | P | 95.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 160.2 | 168.7 | -20.6 | 30.4 | 0 | 0 | 0 | 112.3 | V82 L113 Y115 | V82-P295 HydrophobicContact CG1-CG 4.39Å; V82-P295 HydrophobicContact CG2-CB 4.1Å; V82-P295 WeakPolarHBondContact CG2-O 3.45Å; L113-P295 CarbonylContact O-C 3.25Å; L113-P295 WeakPolarHBondContact O-CA 3.33Å; Y115-P295 VanDerWaalsContact CE1-O 3.22Å; Y115-P295 WeakPolarHBondContact CE1-O 3.34Å |
| 296 | S | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 159.7 | 175.7 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | V82 E100 L113 | V82-S296 VanDerWaalsContact CG2-O 3.26Å; V82-S296 WeakPolarHBondContact CG2-O 3.25Å; E100-S296 WeakPolarHBondContact O-CB 3.38Å; E100-S296 PolarHBondContact O-OG 3.18Å; L113-S296 PolarHBondContact O-N 2.92Å |
| 297 | R | 97.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 18% | 0.177 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 148.5 | 177.7 | -60.7 | 179.1 | 68.9 | 94.3 | -3.9 | 111 | L80 V99 E100 | L80-R297 WeakPolarHBondContact O-CA 2.91Å; L80-R297 WeakPolarHBondContact O-CB 3.46Å; V99-R297 WeakPolarHBondContact CA-O 3.28Å; E100-R297 HydrophobicContact CG-CB 4.21Å; E100-R297 PolarHBondContact N-O 2.93Å |
| 298 | M | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.5 | -170.3 | -50.2 | -172.4 | -163.4 | 0 | 0 | 111.6 | N79 L80 V82 A85 P96 V99 M300 Y372 W375 I376 | N79-M298 WeakPolarHBondContact CA-O 3.41Å; N79-M298 PolarHBondContact OD1-O 3.48Å; L80-M298 PolarHBondContact N-O 3.31Å; L80-M298 PolarHBondContact O-N 2.92Å; V82-M298 HydrophobicContact CB-CE 4.03Å; V82-M298 HydrophobicContact CG1-CE 3.57Å; V82-M298 HydrophobicContact CG2-CE 3.71Å; A85-M298 HydrophobicContact CB-SD 4.47Å; P96-M298 HydrophobicContact CB-CB 4.27Å; P96-M298 HydrophobicContact CB-SD 3.98Å; P96-M298 HydrophobicContact CG-SD 4.37Å; V99-M298 HydrophobicContact CG1-CB 4.3Å; V99-M298 HydrophobicContact CG1-CG 3.89Å; M298-M300 HydrophobicContact CB-CG 4.35Å; M298-M300 HydrophobicContact CB-SD 3.88Å; M298-M300 PolarHBondContact O-N 3.11Å; M298-M300 HydrophobicContact SD-SD 4.45Å; M298-Y372 HydrophobicContact CE-CE2 4.14Å; M298-Y372 HydrophobicContact SD-CD2 4.3Å; M298-Y372 HydrophobicContact SD-CE2 4.4Å; M298-W375 HydrophobicContact CE-CG 4.46Å; M298-W375 HydrophobicContact SD-CG 4.44Å; M298-I376 HydrophobicContact CE-CG2 3.85Å |
| 299 | I | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.8 | 167.3 | -58.1 | 78.8 | 0 | 0 | 0 | 107.3 | W25 L77 M78 P96 I97 A98 L315 F354 I361 | W25-I299 HydrophobicContact CZ3-CG2 4.43Å; L77-I299 HydrophobicContact CD2-CG2 4.14Å; M78-I299 CarbonylContact O-C 3.56Å; M78-I299 WeakPolarHBondContact O-CA 3.49Å; P96-I299 WeakPolarHBondContact CA-O 3.23Å; I97-I299 HydrophobicContact CD1-CG2 4.41Å; I97-I299 HydrophobicContact CG1-CB 4.47Å; I97-I299 HydrophobicContact CG1-CG2 4.23Å; I97-I299 PolarHBondContact N-O 2.99Å; A98-I299 HydrophobicContact CB-CB 4.16Å; A98-I299 HydrophobicContact CB-CD1 3.96Å; A98-I299 HydrophobicContact CB-CG1 4.4Å; A98-I299 PolarHBondContact O-N 3.23Å; I299-L315 HydrophobicContact CB-CD1 4.47Å; I299-L315 HydrophobicContact CG2-CD1 4.1Å; I299-F354 HydrophobicContact CD1-CE1 4.23Å; I299-F354 HydrophobicContact CG1-CE1 4Å; I299-I361 HydrophobicContact CD1-CG2 4.2Å |
| 300 | M | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148 | -172.9 | -59.3 | -67.1 | -73.9 | 0 | 0 | 111 | M78 L80 A85 L94 R95 P96 M298 | M78-M300 HydrophobicContact CG-CB 4.45Å; M78-M300 PolarHBondContact N-O 3.27Å; M78-M300 PolarHBondContact O-N 3.11Å; L80-M300 HydrophobicContact CB-CG 4.24Å; L80-M300 HydrophobicContact CD1-CB 4.33Å; L80-M300 HydrophobicContact CD1-CG 3.92Å; L80-M300 HydrophobicContact CG-CG 4.46Å; A85-M300 HydrophobicContact CB-CE 4.05Å; A85-M300 HydrophobicContact CB-CG 4.39Å; A85-M300 HydrophobicContact CB-SD 4.05Å; L94-M300 HydrophobicContact CB-CB 4.5Å; L94-M300 HydrophobicContact CB-CE 3.9Å; L94-M300 HydrophobicContact CD1-CB 4.42Å; R95-M300 WeakPolarHBondContact O-CA 3.32Å; P96-M300 WeakPolarHBondContact CA-SD 3.45Å; P96-M300 HydrophobicContact CB-SD 3.77Å; P96-M300 HydrophobicContact CG-SD 4.47Å; P96-M300 VanDerWaalsContact N-SD 3.39Å; M298-M300 HydrophobicContact CB-CG 4.35Å; M298-M300 HydrophobicContact CB-SD 3.88Å; M298-M300 PolarHBondContact O-N 3.11Å; M298-M300 HydrophobicContact SD-SD 4.45Å |
| 301 | T | 97.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 175.7 | 172 | -163.4 | 0 | 0 | 0 | 0 | 110.4 | D76 L94 R95 I97 V308 | D76-T301 WeakPolarHBondContact O-CB 3.49Å; D76-T301 PolarHBondContact O-OG1 3.31Å; L94-T301 CarbonylContact C-O 3.54Å; L94-T301 VanDerWaalsContact CA-O 3.23Å; L94-T301 WeakPolarHBondContact CA-O 3.39Å; L94-T301 WeakPolarHBondContact CB-O 3.38Å; R95-T301 HydrophobicContact CG-CG2 4.1Å; R95-T301 PolarHBondContact N-O 2.87Å; R95-T301 PolarHBondContact O-N 3.45Å; I97-T301 HydrophobicContact CG2-CG2 3.54Å; T301-V308 HydrophobicContact CG2-CG1 3.99Å |
| 302 | S | 96.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 133.1 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | I304 Q305 | S302-I304 PolarHBondContact O-N 3.38Å; S302-I304 PolarHBondContact OG-N 3.09Å; S302-Q305 WeakPolarHBondContact O-CB 3.5Å; S302-Q305 PolarHBondContact O-N 3.39Å; S302-Q305 VanDerWaalsContact O-N 3.11Å |
| 303 | L | 93.8 | Very high | 94.2 | Very high | 78 Ų | 78 | 38.9 Ų | 38.9 | 41% | 0.408 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.9 | 174.2 | -179.2 | 65.9 | 0 | 0 | 0 | 112.2 | S93 R95 Q305 | S93-L303 WeakPolarHBondContact O-CA 3.2Å; S93-L303 WeakPolarHBondContact O-CB 3.32Å; S93-L303 PolarHBondContact O-N 2.85Å; R95-L303 HydrophobicContact CB-CD1 4.06Å; R95-L303 HydrophobicContact CG-CD1 4.42Å; L303-Q305 PolarHBondContact O-N 3.45Å |
| 304 | I | 89.4 | Confident | 94.3 | Very high | 110 Ų | 110 | 34.7 Ų | 34.7 | 56% | 0.564 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -16.8 | -179.9 | -54.9 | 171.7 | 0 | 0 | 0 | 110.8 | S302 S306 | S302-I304 PolarHBondContact O-N 3.38Å; S302-I304 PolarHBondContact OG-N 3.09Å; I304-S306 PolarHBondContact O-N 2.64Å; I304-S306 VanDerWaalsContact O-N 3.09Å |
| 305 | Q | 88 | Confident | 94.4 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | trans | -69.5 | 109 | 175 | -179.6 | 64.9 | -9.6 | 0 | 0 | 110.3 | S302 L303 D307 V308 Y311 | S302-Q305 WeakPolarHBondContact O-CB 3.5Å; S302-Q305 PolarHBondContact O-N 3.39Å; S302-Q305 VanDerWaalsContact O-N 3.11Å; L303-Q305 PolarHBondContact O-N 3.45Å; Q305-D307 WeakPolarHBondContact CG-O 3.38Å; Q305-D307 PolarHBondContact NE2-O 2.93Å; Q305-V308 HydrophobicContact CG-CG1 4.19Å; Q305-Y311 HydrophobicContact CG-CE2 4.02Å | ||
| 306 | S | 79.3 | Confident | 94.4 | Very high | 116 Ų | 116 | 38.5 Ų | 38.5 | 81% | 0.811 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -75.3 | -40.3 | -176.8 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | I304 | I304-S306 PolarHBondContact O-N 2.64Å; I304-S306 VanDerWaalsContact O-N 3.09Å |
| 307 | D | 88.7 | Confident | 94.5 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | trans | -105.7 | 103.8 | 177.1 | -174.2 | 11.4 | 0 | 0 | 0 | 111.3 | Q305 T309 | Q305-D307 WeakPolarHBondContact CG-O 3.38Å; Q305-D307 PolarHBondContact NE2-O 2.93Å; D307-T309 WeakPolarHBondContact OD1-CB 3.46Å; D307-T309 PolarHBondContact OD1-N 2.8Å; D307-T309 PolarHBondContact OD1-OG1 3.33Å | ||
| 308 | V | 93.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | trans | -95.6 | -2.6 | 176.2 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | I97 T301 Q305 V310 Y311 I312 | I97-V308 HydrophobicContact CG2-CB 3.87Å; I97-V308 HydrophobicContact CG2-CG1 3.77Å; I97-V308 HydrophobicContact CG2-CG2 4.24Å; T301-V308 HydrophobicContact CG2-CG1 3.99Å; Q305-V308 HydrophobicContact CG-CG1 4.19Å; V308-V310 PolarHBondContact O-N 2.99Å; V308-Y311 PolarHBondContact O-N 3.25Å; V308-I312 HydrophobicContact CG2-CD1 3.91Å; V308-I312 WeakPolarHBondContact O-CG1 3.29Å; V308-I312 PolarHBondContact O-N 3.15Å | ||
| 309 | T | 94 | Very high | 94.5 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 44% | 0.436 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.2 | -39.5 | -177.2 | -43.1 | 0 | 0 | 0 | 0 | 110.8 | D307 Y311 I312 D313 | D307-T309 WeakPolarHBondContact OD1-CB 3.46Å; D307-T309 PolarHBondContact OD1-N 2.8Å; D307-T309 PolarHBondContact OD1-OG1 3.33Å; T309-Y311 VanDerWaalsContact C-N 3.26Å; T309-Y311 PolarHBondContact O-N 3.42Å; T309-I312 PolarHBondContact O-N 3.13Å; T309-D313 WeakPolarHBondContact O-CB 3.41Å; T309-D313 VanDerWaalsContact O-CG 3.31Å; T309-D313 PolarHBondContact O-N 2.82Å |
| 310 | V | 94.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 23% | 0.23 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.7 | -44.2 | 175 | 175.1 | 0 | 0 | 0 | 0 | 112 | T21 Y53 V308 F314 | T21-V310 HydrophobicContact CG2-CG1 3.55Å; Y53-V310 HydrophobicContact CE1-CG1 3.95Å; Y53-V310 WeakPolarHBondContact CE1-O 3.42Å; Y53-V310 PolarHBondContact OH-O 3.01Å; V308-V310 PolarHBondContact O-N 2.99Å; V310-F314 WeakPolarHBondContact O-CB 3.2Å; V310-F314 PolarHBondContact O-N 2.97Å |
| 311 | Y | 96.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.4 | -37 | -179.2 | -57.8 | -38.6 | 0 | 0 | 0 | 112.2 | V23 D76 L77 I97 Q305 V308 T309 F314 L315 | V23-Y311 HydrophobicContact CG1-CD1 4.31Å; V23-Y311 HydrophobicContact CG1-CE1 4.47Å; V23-Y311 HydrophobicContact CG2-CD1 4.28Å; V23-Y311 HydrophobicContact CG2-CE1 4.43Å; D76-Y311 HydrophobicContact CB-CE1 3.9Å; D76-Y311 HydrophobicContact CB-CE2 4.46Å; D76-Y311 PolarHBondContact OD1-OH 3.17Å; L77-Y311 HydrophobicContact CD1-CD1 4.22Å; L77-Y311 HydrophobicContact CD1-CG 4.25Å; L77-Y311 HydrophobicContact CD2-CD2 4Å; L77-Y311 HydrophobicContact CD2-CG 3.94Å; L77-Y311 HydrophobicContact CG-CD1 4.37Å; L77-Y311 HydrophobicContact CG-CG 4.28Å; I97-Y311 HydrophobicContact CD1-CD2 4.5Å; Q305-Y311 HydrophobicContact CG-CE2 4.02Å; V308-Y311 PolarHBondContact O-N 3.25Å; T309-Y311 VanDerWaalsContact C-N 3.26Å; T309-Y311 PolarHBondContact O-N 3.42Å; Y311-F314 WeakPolarHBondContact O-CB 3.1Å; Y311-F314 PolarHBondContact O-N 2.56Å; Y311-L315 VanDerWaalsContact O-CG 3.26Å; Y311-L315 WeakPolarHBondContact O-CG 3.38Å; Y311-L315 PolarHBondContact O-N 3.4Å |
| 312 | I | 96.5 | Very high | 94.4 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -52.8 | 174.6 | -71.2 | 170.6 | 0 | 0 | 0 | 110.3 | V308 T309 F314 L315 E316 I363 | V308-I312 HydrophobicContact CG2-CD1 3.91Å; V308-I312 WeakPolarHBondContact O-CG1 3.29Å; V308-I312 PolarHBondContact O-N 3.15Å; T309-I312 PolarHBondContact O-N 3.13Å; I312-F314 VanDerWaalsContact C-N 3.26Å; I312-F314 PolarHBondContact O-N 2.85Å; I312-L315 PolarHBondContact O-N 2.79Å; I312-L315 VanDerWaalsContact O-N 3.12Å; I312-E316 WeakPolarHBondContact O-CG 3.3Å; I312-E316 PolarHBondContact O-N 3.29Å; I312-I363 HydrophobicContact CD1-CG2 3.97Å; I312-I363 HydrophobicContact CG1-CG2 4.08Å; I312-I363 HydrophobicContact CG2-CB 4.47Å; I312-I363 HydrophobicContact CG2-CD1 4.26Å; I312-I363 HydrophobicContact CG2-CG1 4.07Å; I312-I363 HydrophobicContact CG2-CG2 3.7Å |
| 313 | D | 96.5 | Very high | 94.4 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 178.6 | -73 | -3.1 | 0 | 0 | 0 | 111.4 | Y53 T309 L317 | Y53-D313 VanDerWaalsContact OH-CB 3.24Å; Y53-D313 WeakPolarHBondContact OH-CB 3.42Å; T309-D313 WeakPolarHBondContact O-CB 3.41Å; T309-D313 VanDerWaalsContact O-CG 3.31Å; T309-D313 PolarHBondContact O-N 2.82Å; D313-L317 WeakPolarHBondContact O-CB 3.27Å; D313-L317 VanDerWaalsContact O-CG 3.3Å; D313-L317 WeakPolarHBondContact O-CG 3.47Å; D313-L317 PolarHBondContact O-N 2.81Å |
| 314 | F | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -50 | 174.7 | 173.4 | -107.1 | 0 | 0 | 0 | 111.6 | V23 I43 Y53 L55 L77 V310 Y311 I312 E316 L317 L318 | V23-F314 HydrophobicContact CB-CD1 4.41Å; V23-F314 HydrophobicContact CB-CE1 4.31Å; V23-F314 HydrophobicContact CB-CZ 4.44Å; V23-F314 HydrophobicContact CG1-CD1 3.96Å; V23-F314 HydrophobicContact CG1-CE1 3.86Å; V23-F314 HydrophobicContact CG1-CZ 4.44Å; V23-F314 HydrophobicContact CG2-CB 4.43Å; V23-F314 HydrophobicContact CG2-CD1 4.2Å; V23-F314 HydrophobicContact CG2-CD2 4.21Å; V23-F314 HydrophobicContact CG2-CG 4.02Å; I43-F314 HydrophobicContact CD1-CE2 4.16Å; I43-F314 HydrophobicContact CD1-CZ 4.23Å; Y53-F314 HydrophobicContact CD1-CB 4.18Å; Y53-F314 HydrophobicContact CD1-CD2 4.08Å; Y53-F314 HydrophobicContact CD1-CG 4.49Å; Y53-F314 HydrophobicContact CD2-CD2 4.16Å; Y53-F314 HydrophobicContact CE1-CB 4.01Å; Y53-F314 HydrophobicContact CG-CB 4.48Å; Y53-F314 AromaticContact CG-CD2 3.77Å; Y53-F314 HydrophobicContact CG-CD2 3.77Å; L55-F314 HydrophobicContact CB-CZ 4.38Å; L55-F314 HydrophobicContact CD1-CE1 4.49Å; L55-F314 HydrophobicContact CD1-CZ 4.02Å; L77-F314 HydrophobicContact CD1-CD1 4.39Å; V310-F314 WeakPolarHBondContact O-CB 3.2Å; V310-F314 PolarHBondContact O-N 2.97Å; Y311-F314 WeakPolarHBondContact O-CB 3.1Å; Y311-F314 PolarHBondContact O-N 2.56Å; I312-F314 VanDerWaalsContact C-N 3.26Å; I312-F314 PolarHBondContact O-N 2.85Å; F314-E316 PolarHBondContact O-N 3.48Å; F314-L317 PolarHBondContact O-N 3.1Å; F314-L318 HydrophobicContact CD1-CD1 4.22Å; F314-L318 HydrophobicContact CE1-CD1 3.57Å; F314-L318 HydrophobicContact CE1-CG 4.14Å; F314-L318 HydrophobicContact CE2-CD1 4.44Å; F314-L318 HydrophobicContact CE2-CD2 4.05Å; F314-L318 HydrophobicContact CE2-CG 4.25Å; F314-L318 HydrophobicContact CZ-CD1 3.7Å; F314-L318 HydrophobicContact CZ-CD2 3.97Å; F314-L318 HydrophobicContact CZ-CG 3.99Å; F314-L318 WeakPolarHBondContact O-CG 3.34Å; F314-L318 PolarHBondContact O-N 3Å |
| 315 | L | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 178.6 | -68.6 | 170.4 | 0 | 0 | 0 | 112.1 | I97 A98 I299 Y311 I312 L317 L318 V319 F354 I361 | I97-L315 HydrophobicContact CD1-CD1 4.04Å; A98-L315 HydrophobicContact CB-CD1 3.84Å; I299-L315 HydrophobicContact CB-CD1 4.47Å; I299-L315 HydrophobicContact CG2-CD1 4.1Å; Y311-L315 VanDerWaalsContact O-CG 3.26Å; Y311-L315 WeakPolarHBondContact O-CG 3.38Å; Y311-L315 PolarHBondContact O-N 3.4Å; I312-L315 PolarHBondContact O-N 2.79Å; I312-L315 VanDerWaalsContact O-N 3.12Å; L315-L317 PolarHBondContact O-N 3.28Å; L315-L318 WeakPolarHBondContact O-CB 3.18Å; L315-L318 PolarHBondContact O-N 3.25Å; L315-V319 WeakPolarHBondContact O-CG2 3.46Å; L315-V319 PolarHBondContact O-N 3.34Å; L315-F354 HydrophobicContact CD2-CZ 4.38Å; L315-I361 HydrophobicContact CD2-CD1 4.13Å |
| 316 | E | 96.7 | Very high | 94.9 | Very high | 84 Ų | 84 | 39.8 Ų | 39.8 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 176 | -72 | -170.5 | 157.2 | 0 | 0 | 111.7 | I312 F314 L318 V319 Q320 I363 | I312-E316 WeakPolarHBondContact O-CG 3.3Å; I312-E316 PolarHBondContact O-N 3.29Å; F314-E316 PolarHBondContact O-N 3.48Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 3.27Å; E316-V319 PolarHBondContact O-N 3.08Å; E316-Q320 WeakPolarHBondContact O-CB 3.43Å; E316-Q320 VanDerWaalsContact O-CG 3.22Å; E316-Q320 WeakPolarHBondContact O-CG 3.48Å; E316-Q320 PolarHBondContact O-N 2.82Å; E316-I363 HydrophobicContact CG-CG1 4.21Å |
| 317 | L | 97.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 176 | -75.7 | 171.4 | 0 | 0 | 0 | 112.3 | I49 K52 Y53 D313 F314 L315 Q320 N321 | I49-L317 HydrophobicContact CG1-CB 4.22Å; K52-L317 HydrophobicContact CD-CD1 4.5Å; Y53-L317 HydrophobicContact CD2-CD1 3.99Å; Y53-L317 HydrophobicContact CE2-CD1 3.58Å; D313-L317 WeakPolarHBondContact O-CB 3.27Å; D313-L317 VanDerWaalsContact O-CG 3.3Å; D313-L317 WeakPolarHBondContact O-CG 3.47Å; D313-L317 PolarHBondContact O-N 2.81Å; F314-L317 PolarHBondContact O-N 3.1Å; L315-L317 PolarHBondContact O-N 3.28Å; L317-Q320 PolarHBondContact O-N 3.05Å; L317-N321 PolarHBondContact O-N 3.03Å; L317-N321 VanDerWaalsContact O-N 3.09Å; L317-N321 PolarHBondContact O-ND2 3.09Å |
| 318 | L | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 173.6 | -67.7 | -172.9 | 0 | 0 | 0 | 111.1 | L39 I43 I49 F314 L315 E316 N321 F322 L334 | L39-L318 HydrophobicContact CD1-CD2 4.23Å; L39-L318 HydrophobicContact CD2-CD1 4.24Å; L39-L318 HydrophobicContact CD2-CD2 4.39Å; I43-L318 HydrophobicContact CD1-CD2 3.79Å; I43-L318 HydrophobicContact CG1-CD2 4.2Å; I49-L318 HydrophobicContact CD1-CD2 4.32Å; F314-L318 HydrophobicContact CD1-CD1 4.22Å; F314-L318 HydrophobicContact CE1-CD1 3.57Å; F314-L318 HydrophobicContact CE1-CG 4.14Å; F314-L318 HydrophobicContact CE2-CD1 4.44Å; F314-L318 HydrophobicContact CE2-CD2 4.05Å; F314-L318 HydrophobicContact CE2-CG 4.25Å; F314-L318 HydrophobicContact CZ-CD1 3.7Å; F314-L318 HydrophobicContact CZ-CD2 3.97Å; F314-L318 HydrophobicContact CZ-CG 3.99Å; F314-L318 WeakPolarHBondContact O-CG 3.34Å; F314-L318 PolarHBondContact O-N 3Å; L315-L318 WeakPolarHBondContact O-CB 3.18Å; L315-L318 PolarHBondContact O-N 3.25Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 3.27Å; L318-N321 PolarHBondContact O-N 3.48Å; L318-F322 HydrophobicContact CD2-CD2 4.1Å; L318-F322 HydrophobicContact CD2-CE2 4.17Å; L318-F322 WeakPolarHBondContact O-CA 3.13Å; L318-F322 WeakPolarHBondContact O-CB 3.34Å; L318-F322 PolarHBondContact O-N 2.94Å; L318-L334 HydrophobicContact CB-CD2 3.96Å |
| 319 | V | 97 | Very high | 96 | Very high | 24 Ų | 24 | 39.4 Ų | 39.4 | 15% | 0.145 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 179.5 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | L315 E316 N321 G323 L334 F335 I361 | L315-V319 WeakPolarHBondContact O-CG2 3.46Å; L315-V319 PolarHBondContact O-N 3.34Å; E316-V319 PolarHBondContact O-N 3.08Å; V319-N321 VanDerWaalsContact C-N 3.28Å; V319-N321 PolarHBondContact O-N 3.33Å; V319-G323 VanDerWaalsContact O-CA 3.28Å; V319-G323 WeakPolarHBondContact O-CA 3.46Å; V319-G323 PolarHBondContact O-N 3.44Å; V319-L334 HydrophobicContact CG2-CD2 4.18Å; V319-F335 HydrophobicContact CG2-CZ 4.13Å; V319-I361 HydrophobicContact CG2-CB 3.87Å; V319-I361 HydrophobicContact CG2-CD1 3.78Å; V319-I361 HydrophobicContact CG2-CG1 3.73Å |
| 320 | Q | 96.4 | Very high | 96 | Very high | 111 Ų | 111 | 41.9 Ų | 41.9 | 52% | 0.519 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -31.6 | 179.1 | -74.2 | 172.2 | 17.8 | 0 | 0 | 113.4 | E316 L317 G326 T327 | E316-Q320 WeakPolarHBondContact O-CB 3.43Å; E316-Q320 VanDerWaalsContact O-CG 3.22Å; E316-Q320 WeakPolarHBondContact O-CG 3.48Å; E316-Q320 PolarHBondContact O-N 2.82Å; L317-Q320 PolarHBondContact O-N 3.05Å; Q320-G326 WeakPolarHBondContact O-CA 3.09Å; Q320-T327 PolarHBondContact O-N 3.07Å; Q320-T327 VanDerWaalsContact O-N 3.11Å |
| 321 | N | 97.5 | Very high | 96 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -96.3 | -42.8 | -179.5 | -68.9 | -90.5 | 0 | 0 | 0 | 111.9 | T46 T48 I49 L317 L318 V319 G326 T327 S328 V329 | T46-N321 HydrophobicContact CG2-CB 4.48Å; T48-N321 PolarHBondContact OG1-OD1 3.03Å; I49-N321 HydrophobicContact CD1-CB 4.01Å; L317-N321 PolarHBondContact O-N 3.03Å; L317-N321 VanDerWaalsContact O-N 3.09Å; L317-N321 PolarHBondContact O-ND2 3.09Å; L318-N321 PolarHBondContact O-N 3.48Å; V319-N321 VanDerWaalsContact C-N 3.28Å; V319-N321 PolarHBondContact O-N 3.33Å; N321-G326 CarbonylContact O-C 3.39Å; N321-G326 WeakPolarHBondContact O-CA 3.27Å; N321-T327 PolarHBondContact O-N 3.12Å; N321-T327 PolarHBondContact OD1-OG1 2.9Å; N321-S328 CarbonylContact O-C 3.49Å; N321-S328 WeakPolarHBondContact O-CA 3.39Å; N321-S328 WeakPolarHBondContact O-CB 3.44Å; N321-S328 PolarHBondContact O-N 3.36Å; N321-V329 PolarHBondContact O-N 2.96Å |
| 322 | F | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -117 | -2.8 | -168.4 | -51.7 | -55.4 | 0 | 0 | 0 | 114.7 | L39 V42 I43 T46 I49 L318 F332 L334 | L39-F322 HydrophobicContact CD1-CD2 3.75Å; L39-F322 HydrophobicContact CD1-CE2 3.82Å; V42-F322 HydrophobicContact CB-CZ 4.5Å; V42-F322 HydrophobicContact CG1-CD1 4.38Å; V42-F322 HydrophobicContact CG1-CE1 3.44Å; V42-F322 VanDerWaalsContact CG1-CE1 3.44Å; V42-F322 HydrophobicContact CG1-CZ 3.66Å; I43-F322 HydrophobicContact CG1-CE2 4Å; T46-F322 HydrophobicContact CG2-CZ 4.21Å; I49-F322 HydrophobicContact CD1-CD2 4.3Å; I49-F322 HydrophobicContact CD1-CE2 3.48Å; I49-F322 VanDerWaalsContact CD1-CE2 3.48Å; I49-F322 HydrophobicContact CD1-CZ 3.99Å; L318-F322 HydrophobicContact CD2-CD2 4.1Å; L318-F322 HydrophobicContact CD2-CE2 4.17Å; L318-F322 WeakPolarHBondContact O-CA 3.13Å; L318-F322 WeakPolarHBondContact O-CB 3.34Å; L318-F322 PolarHBondContact O-N 2.94Å; F322-F332 HydrophobicContact CB-CD1 4.17Å; F322-F332 HydrophobicContact CD1-CB 3.88Å; F322-F332 HydrophobicContact CE1-CB 4.32Å; F322-F332 HydrophobicContact CG-CB 4.35Å; F322-F332 HydrophobicContact CG-CD1 4.28Å; F322-L334 HydrophobicContact CB-CB 3.91Å; F322-L334 WeakPolarHBondContact O-CB 3.42Å; F322-L334 PolarHBondContact O-N 3.22Å |
| 323 | G | 96.2 | Very high | 96 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -67.9 | 173.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V319 S325 G326 V329 | V319-G323 VanDerWaalsContact O-CA 3.28Å; V319-G323 WeakPolarHBondContact O-CA 3.46Å; V319-G323 PolarHBondContact O-N 3.44Å; G323-S325 PolarHBondContact O-N 3.28Å; G323-S325 VanDerWaalsContact O-N 3.12Å; G323-G326 WeakPolarHBondContact O-CA 3.44Å; G323-G326 PolarHBondContact O-N 3.12Å; G323-V329 WeakPolarHBondContact O-CB 3.43Å; G323-V329 VanDerWaalsContact O-CG2 3.28Å; G323-V329 WeakPolarHBondContact O-CG2 3.46Å |
| 324 | P | 95.2 | Very high | 96 | Very high | 56 Ų | 56 | 41.2 Ų | 41.2 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.9 | -176.2 | -25.9 | 34.6 | 0 | 0 | 0 | 114.6 | F335 K359 | P324-F335 HydrophobicContact CG-CD2 4.13Å; P324-F335 HydrophobicContact CG-CE2 4.45Å; P324-K359 WeakPolarHBondContact CD-O 3.43Å; P324-K359 HydrophobicContact CG-CD 4.39Å; P324-K359 WeakPolarHBondContact CG-O 3.27Å |
| 325 | S | 92.3 | Very high | 96 | Very high | 100 Ų | 100 | 41.3 Ų | 41.3 | 70% | 0.699 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 14.5 | 175.5 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | G323 | G323-S325 PolarHBondContact O-N 3.28Å; G323-S325 VanDerWaalsContact O-N 3.12Å |
| 326 | G | 94.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | trans | -77.9 | 152 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q320 N321 G323 S328 | Q320-G326 WeakPolarHBondContact O-CA 3.09Å; N321-G326 CarbonylContact O-C 3.39Å; N321-G326 WeakPolarHBondContact O-CA 3.27Å; G323-G326 WeakPolarHBondContact O-CA 3.44Å; G323-G326 PolarHBondContact O-N 3.12Å; G326-S328 PolarHBondContact O-N 2.91Å | ||
| 327 | T | 95.4 | Very high | 95.8 | Very high | 116 Ų | 116 | 38.7 Ų | 38.7 | 71% | 0.712 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.2 | -177.3 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | Q320 N321 | Q320-T327 PolarHBondContact O-N 3.07Å; Q320-T327 VanDerWaalsContact O-N 3.11Å; N321-T327 PolarHBondContact O-N 3.12Å; N321-T327 PolarHBondContact OD1-OG1 2.9Å |
| 328 | S | 94.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | 21.3 | -173.6 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | N321 G326 S330 A331 F332 | N321-S328 CarbonylContact O-C 3.49Å; N321-S328 WeakPolarHBondContact O-CA 3.39Å; N321-S328 WeakPolarHBondContact O-CB 3.44Å; N321-S328 PolarHBondContact O-N 3.36Å; G326-S328 PolarHBondContact O-N 2.91Å; S328-S330 PolarHBondContact O-N 3.25Å; S328-S330 VanDerWaalsContact O-N 3.17Å; S328-A331 WeakPolarHBondContact O-CB 3.35Å; S328-A331 PolarHBondContact O-N 3.03Å; S328-F332 PolarHBondContact O-N 3.3Å |
| 329 | V | 93.7 | Very high | 95.2 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 30% | 0.297 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.5 | -177.9 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | N321 G323 A331 F332 | N321-V329 PolarHBondContact O-N 2.96Å; G323-V329 WeakPolarHBondContact O-CB 3.43Å; G323-V329 VanDerWaalsContact O-CG2 3.28Å; G323-V329 WeakPolarHBondContact O-CG2 3.46Å; V329-A331 VanDerWaalsContact C-N 3.28Å; V329-A331 PolarHBondContact O-N 2.88Å; V329-F332 WeakPolarHBondContact CA-O 3.48Å; V329-F332 CarbonylContact O-C 3.28Å; V329-F332 VanDerWaalsContact O-C 3.28Å; V329-F332 PolarHBondContact O-N 3.43Å |
| 330 | S | 93.7 | Very high | 94.9 | Very high | 123 Ų | 123 | 45.2 Ų | 45.2 | 86% | 0.86 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -23.6 | 175.7 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | S328 | S328-S330 PolarHBondContact O-N 3.25Å; S328-S330 VanDerWaalsContact O-N 3.17Å |
| 331 | A | 94.6 | Very high | 94.5 | Very high | 53 Ų | 53 | 42.9 Ų | 42.9 | 44% | 0.438 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -35.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V42 S328 V329 | V42-A331 HydrophobicContact CG1-CB 4.16Å; S328-A331 WeakPolarHBondContact O-CB 3.35Å; S328-A331 PolarHBondContact O-N 3.03Å; V329-A331 VanDerWaalsContact C-N 3.28Å; V329-A331 PolarHBondContact O-N 2.88Å |
| 332 | F | 96.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | trans | -156.3 | 129.7 | 177.4 | -170.6 | -96.3 | 0 | 0 | 0 | 110.5 | K35 R38 L39 V42 F322 S328 V329 L334 Y340 | K35-F332 HydrophobicContact CG-CZ 3.96Å; R38-F332 HydrophobicContact CB-CE2 4.1Å; R38-F332 HydrophobicContact CG-CD2 3.97Å; R38-F332 HydrophobicContact CG-CE2 3.79Å; L39-F332 HydrophobicContact CB-CE1 3.93Å; L39-F332 HydrophobicContact CB-CE2 4.1Å; L39-F332 HydrophobicContact CB-CZ 3.65Å; L39-F332 HydrophobicContact CD1-CD1 3.74Å; L39-F332 HydrophobicContact CD1-CE1 3.67Å; L39-F332 HydrophobicContact CD1-CG 4.39Å; L39-F332 HydrophobicContact CD1-CZ 4.27Å; L39-F332 HydrophobicContact CD2-CE1 4.42Å; L39-F332 HydrophobicContact CG-CE1 4.19Å; L39-F332 HydrophobicContact CG-CZ 4.42Å; V42-F332 HydrophobicContact CB-CB 4.33Å; V42-F332 HydrophobicContact CG1-CB 4.02Å; V42-F332 HydrophobicContact CG2-CB 4.21Å; V42-F332 HydrophobicContact CG2-CD2 4.36Å; F322-F332 HydrophobicContact CB-CD1 4.17Å; F322-F332 HydrophobicContact CD1-CB 3.88Å; F322-F332 HydrophobicContact CE1-CB 4.32Å; F322-F332 HydrophobicContact CG-CB 4.35Å; F322-F332 HydrophobicContact CG-CD1 4.28Å; S328-F332 PolarHBondContact O-N 3.3Å; V329-F332 WeakPolarHBondContact CA-O 3.48Å; V329-F332 CarbonylContact O-C 3.28Å; V329-F332 VanDerWaalsContact O-C 3.28Å; V329-F332 PolarHBondContact O-N 3.43Å; F332-L334 HydrophobicContact CE1-CD1 4.14Å; F332-Y340 WeakPolarHBondContact CE2-OH 3.46Å | ||
| 333 | N | 96.8 | Very high | 92.6 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | trans | -97.1 | 108.3 | 173.2 | -176.1 | -19.9 | 0 | 0 | 0 | 109.2 | F335 S336 | N333-F335 VanDerWaalsContact C-N 3.32Å; N333-F335 PolarHBondContact O-N 3.04Å; N333-F335 PolarHBondContact OD1-N 2.7Å; N333-S336 VanDerWaalsContact CG-CB 3.46Å; N333-S336 WeakPolarHBondContact ND2-CB 3.23Å; N333-S336 PolarHBondContact O-N 3.45Å; N333-S336 PolarHBondContact OD1-N 3.08Å | ||
| 334 | L | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -58.2 | -41.8 | -171.5 | -173.3 | 59.2 | 0 | 0 | 0 | 113.5 | K35 L39 L318 V319 F322 F332 F354 | K35-L334 WeakPolarHBondContact CE-O 3.41Å; K35-L334 PolarHBondContact NZ-O 3.08Å; L39-L334 HydrophobicContact CD2-CD1 4.08Å; L318-L334 HydrophobicContact CB-CD2 3.96Å; V319-L334 HydrophobicContact CG2-CD2 4.18Å; F322-L334 HydrophobicContact CB-CB 3.91Å; F322-L334 WeakPolarHBondContact O-CB 3.42Å; F322-L334 PolarHBondContact O-N 3.22Å; F332-L334 HydrophobicContact CE1-CD1 4.14Å; L334-F354 HydrophobicContact CD1-CD2 4.23Å; L334-F354 HydrophobicContact CD1-CE2 3.91Å; L334-F354 HydrophobicContact CG-CD2 4.19Å; L334-F354 HydrophobicContact CG-CE2 4.17Å |
| 335 | F | 97.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -97.6 | -11.4 | -171.1 | -54.3 | -51.4 | 0 | 0 | 0 | 113.2 | V319 P324 N333 F354 D356 T358 I361 | V319-F335 HydrophobicContact CG2-CZ 4.13Å; P324-F335 HydrophobicContact CG-CD2 4.13Å; P324-F335 HydrophobicContact CG-CE2 4.45Å; N333-F335 VanDerWaalsContact C-N 3.32Å; N333-F335 PolarHBondContact O-N 3.04Å; N333-F335 PolarHBondContact OD1-N 2.7Å; F335-F354 HydrophobicContact CD1-CB 3.69Å; F335-F354 HydrophobicContact CD1-CD2 4.16Å; F335-F354 AromaticContact CD1-CG 3.97Å; F335-F354 HydrophobicContact CD1-CG 3.97Å; F335-F354 HydrophobicContact CE1-CB 4.19Å; F335-F354 HydrophobicContact CE1-CD1 4.43Å; F335-F354 HydrophobicContact CE1-CD2 4.21Å; F335-F354 HydrophobicContact CE1-CG 4.02Å; F335-D356 VanDerWaalsContact O-CA 3.3Å; F335-D356 WeakPolarHBondContact O-CA 3.47Å; F335-T358 WeakPolarHBondContact CB-O 3.37Å; F335-T358 HydrophobicContact CD1-CG2 3.64Å; F335-T358 HydrophobicContact CD2-CG2 4.26Å; F335-T358 WeakPolarHBondContact CD2-O 3.46Å; F335-T358 HydrophobicContact CE1-CG2 3.4Å; F335-T358 HydrophobicContact CE2-CG2 4.06Å; F335-T358 HydrophobicContact CG-CG2 4.07Å; F335-T358 WeakPolarHBondContact CG-O 3.41Å; F335-T358 HydrophobicContact CZ-CG2 3.63Å; F335-I361 HydrophobicContact CE1-CD1 4.4Å; F335-I361 HydrophobicContact CE1-CG1 4.17Å; F335-I361 HydrophobicContact CZ-CG1 4.1Å |
| 336 | S | 95.8 | Very high | 88.5 | Confident | 29 Ų | 29 | 55.5 Ų | 55.5 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | trans | -79 | 135 | 175 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | K35 N333 S338 | K35-S336 VanDerWaalsContact CE-O 3.27Å; K35-S336 WeakPolarHBondContact CE-O 3.34Å; K35-S336 PolarHBondContact NZ-O 3.35Å; N333-S336 VanDerWaalsContact CG-CB 3.46Å; N333-S336 WeakPolarHBondContact ND2-CB 3.23Å; N333-S336 PolarHBondContact O-N 3.45Å; N333-S336 PolarHBondContact OD1-N 3.08Å; S336-S338 PolarHBondContact OG-N 2.84Å; S336-S338 PolarHBondContact OG-OG 2.89Å | ||
| 337 | S | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -106.3 | 3.7 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | T349 H351 L352 D356 | S337-T349 CarbonylContact C-O 3.5Å; S337-T349 VanDerWaalsContact CB-O 3.28Å; S337-T349 WeakPolarHBondContact CB-O 3.42Å; S337-T349 WeakPolarHBondContact O-CB 3.35Å; S337-T349 PolarHBondContact O-OG1 2.86Å; S337-H351 PolarHBondContact OG-N 3.26Å; S337-H351 VanDerWaalsContact OG-N 3.17Å; S337-L352 PolarHBondContact OG-N 2.83Å; S337-D356 WeakPolarHBondContact CB-OD1 3.15Å; S337-D356 PolarHBondContact N-OD2 3.27Å; S337-D356 PolarHBondContact OG-OD1 3.07Å | ||
| 338 | S | 91.1 | Very high | 86.2 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 56% | 0.559 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 136.2 | 179.6 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | S336 | S336-S338 PolarHBondContact OG-N 2.84Å; S336-S338 PolarHBondContact OG-OG 2.89Å |
| 339 | G | 89.7 | Confident | 85.8 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 70% | 0.701 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | 9.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 340 | Y | 92.6 | Very high | 85.8 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | trans | -109.2 | 63.3 | 178.5 | -59.7 | -71 | 0 | 0 | 0 | 110.8 | E31 I34 K35 R38 F332 T349 L352 | E31-Y340 VanDerWaalsContact CB-O 3.32Å; E31-Y340 WeakPolarHBondContact CB-O 3.28Å; E31-Y340 VanDerWaalsContact CG-O 3.31Å; E31-Y340 WeakPolarHBondContact CG-O 3.39Å; I34-Y340 HydrophobicContact CG2-CD1 4.13Å; K35-Y340 HydrophobicContact CB-CD1 3.86Å; K35-Y340 HydrophobicContact CB-CD2 3.96Å; K35-Y340 HydrophobicContact CB-CE1 4.11Å; K35-Y340 HydrophobicContact CB-CE2 4.22Å; K35-Y340 HydrophobicContact CB-CG 3.78Å; K35-Y340 HydrophobicContact CD-CD2 3.94Å; K35-Y340 HydrophobicContact CD-CE2 3.89Å; K35-Y340 HydrophobicContact CG-CD1 4.35Å; K35-Y340 HydrophobicContact CG-CD2 3.93Å; K35-Y340 HydrophobicContact CG-CE1 4.17Å; K35-Y340 HydrophobicContact CG-CE2 3.73Å; K35-Y340 HydrophobicContact CG-CG 4.24Å; R38-Y340 HydrophobicContact CB-CE1 4.02Å; R38-Y340 HydrophobicContact CG-CE1 4.12Å; F332-Y340 WeakPolarHBondContact CE2-OH 3.46Å; Y340-T349 WeakPolarHBondContact O-CG2 3.37Å; Y340-L352 HydrophobicContact CD2-CD1 4.19Å; Y340-L352 HydrophobicContact CG-CD1 4.23Å | ||
| 341 | T | 87.4 | Confident | 85.8 | Confident | 62 Ų | 62 | 54 Ų | 54 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | trans | -101 | 149.9 | -176.7 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | D346 T349 | T341-D346 VanDerWaalsContact CG2-O 3.29Å; T341-D346 WeakPolarHBondContact CG2-O 3.49Å; T341-T349 HydrophobicContact CG2-CG2 3.76Å | ||
| 342 | T | 83 | Confident | 85.9 | Confident | 42 Ų | 42 | 52 Ų | 52 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | trans | -86.7 | 166.8 | 164.9 | 58.9 | 0 | 0 | 0 | 0 | 110.9 | P30 E31 I34 N344 G345 | P30-T342 HydrophobicContact CB-CG2 3.87Å; E31-T342 HydrophobicContact CG-CG2 4.13Å; E31-T342 WeakPolarHBondContact OE1-CB 3.39Å; E31-T342 WeakPolarHBondContact OE1-CG2 3.2Å; E31-T342 PolarHBondContact OE1-OG1 2.91Å; I34-T342 HydrophobicContact CD1-CG2 3.98Å; T342-N344 PolarHBondContact O-N 3.17Å; T342-N344 VanDerWaalsContact O-N 3.16Å; T342-G345 PolarHBondContact O-N 3.2Å; T342-G345 VanDerWaalsContact O-N 3.15Å; T342-G345 WeakPolarHBondContact OG1-CA 3.37Å; T342-G345 PolarHBondContact OG1-N 3.24Å; T342-G345 VanDerWaalsContact OG1-N 3.16Å | ||
| 343 | V | 72.8 | Confident | 85.9 | Confident | 149 Ų | 149 | 52 Ų | 52 | 90% | 0.903 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.3 | -179.8 | -177 | 0 | 0 | 0 | 0 | 112.5 | ||
| 344 | N | 68.5 | Low | 85.9 | Confident | 160 Ų | 160 | 48.7 Ų | 48.7 | 86% | 0.856 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 0.7 | -179.2 | -62.2 | -24.2 | 0 | 0 | 0 | 113.2 | T342 | T342-N344 PolarHBondContact O-N 3.17Å; T342-N344 VanDerWaalsContact O-N 3.16Å |
| 345 | G | 62.8 | Low | 85.9 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 27% | 0.268 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -78.7 | 166 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T342 | T342-G345 PolarHBondContact O-N 3.2Å; T342-G345 VanDerWaalsContact O-N 3.15Å; T342-G345 WeakPolarHBondContact OG1-CA 3.37Å; T342-G345 PolarHBondContact OG1-N 3.24Å; T342-G345 VanDerWaalsContact OG1-N 3.16Å |
| 346 | D | 66.1 | Low | 85.8 | Confident | 53 Ų | 53 | 50 Ų | 50 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | trans | -63.1 | 151 | 169.9 | -63.4 | -62.3 | 0 | 0 | 0 | 110.5 | R219 R228 T341 A348 | R219-D346 IonicContact CZ-OD1 3.57Å; R219-D346 IonicContact NE-OD1 3.08Å; R219-D346 PolarHBondContact NE-OD1 2.9Å; R219-D346 IonicContact NH2-OD1 3.89Å; R228-D346 IonicContact CZ-OD1 3.94Å; R228-D346 IonicContact CZ-OD2 2.98Å; R228-D346 IonicContact NH1-OD1 3.19Å; R228-D346 IonicContact NH1-OD2 3.8Å; R228-D346 PolarHBondContact NH1-OD2 2.94Å; R228-D346 VanDerWaalsContact NH2-CG 3.32Å; R228-D346 IonicContact NH2-OD1 2.81Å; R228-D346 IonicContact NH2-OD2 3.26Å; R228-D346 PolarHBondContact NH2-OD2 2.8Å; T341-D346 VanDerWaalsContact CG2-O 3.29Å; T341-D346 WeakPolarHBondContact CG2-O 3.49Å; D346-A348 PolarHBondContact O-N 3.22Å | ||
| 347 | N | 62.9 | Low | 85.8 | Confident | 166 Ų | 166 | 50.3 Ų | 50.3 | 89% | 0.888 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -65.5 | -19.9 | 178.1 | -74.5 | -21.8 | 0 | 0 | 0 | 113.5 | ||
| 348 | A | 78.9 | Confident | 86 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 26% | 0.264 | 30% | 0.304 | S | S | . | . | trans | -114.8 | 118.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110 | D346 | D346-A348 PolarHBondContact O-N 3.22Š| ||
| 349 | T | 86.2 | Confident | 86.3 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | trans | -115 | 132.9 | -179.2 | 44.4 | 0 | 0 | 0 | 0 | 109.9 | E31 S337 Y340 T341 | E31-T349 HydrophobicContact CB-CG2 4.49Å; E31-T349 HydrophobicContact CG-CG2 4.04Å; S337-T349 CarbonylContact C-O 3.5Å; S337-T349 VanDerWaalsContact CB-O 3.28Å; S337-T349 WeakPolarHBondContact CB-O 3.42Å; S337-T349 WeakPolarHBondContact O-CB 3.35Å; S337-T349 PolarHBondContact O-OG1 2.86Å; Y340-T349 WeakPolarHBondContact O-CG2 3.37Å; T341-T349 HydrophobicContact CG2-CG2 3.76Å | ||
| 350 | H | 93.1 | Very high | 86.6 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -133.9 | 150.7 | -173.9 | -52.7 | -74.2 | 0 | 0 | 0 | 111.1 | Q224 L255 D259 L352 | Q224-H350 HydrophobicContact CG-CB 4.35Å; L255-H350 HydrophobicContact CD2-CB 4.33Å; D259-H350 IonicContact OD2-CE1 3.15Å; D259-H350 PolarHBondContact OD2-CE1 2.89Å; D259-H350 IonicContact OD2-NE2 2.75Å; D259-H350 PolarHBondContact OD2-NE2 3.4Å; H350-L352 VanDerWaalsContact C-N 3.34Å; H350-L352 PolarHBondContact O-N 3.34Å | ||
| 351 | H | 94.5 | Very high | 86.9 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 20% | 0.199 | 26% | 0.26 | C | S | . | . | trans | 57.7 | 34.8 | 170.9 | -40.8 | -59.7 | 0 | 0 | 0 | 116.1 | E252 S337 F354 S355 D356 F357 | E252-H351 IonicContact OE1-CD2 2.91Å; E252-H351 IonicContact OE1-CE1 3.05Å; E252-H351 PolarHBondContact OE1-CE1 3.34Å; E252-H351 IonicContact OE1-NE2 3.8Å; E252-H351 PolarHBondContact OE1-NE2 2.93Å; E252-H351 VanDerWaalsContact OE1-NE2 3.12Å; E252-H351 IonicContact OE2-CE1 3.95Å; E252-H351 IonicContact OE2-NE2 2.72Å; E252-H351 PolarHBondContact OE2-NE2 3.27Å; S337-H351 PolarHBondContact OG-N 3.26Å; S337-H351 VanDerWaalsContact OG-N 3.17Å; H351-F354 CarbonylContact C-O 3.59Å; H351-F354 VanDerWaalsContact C-O 3.29Å; H351-F354 VanDerWaalsContact CA-O 3.27Å; H351-F354 WeakPolarHBondContact CA-O 3.26Å; H351-S355 PolarHBondContact ND1-OG 3.23Å; H351-D356 WeakPolarHBondContact CA-OD1 2.96Å; H351-D356 PolarHBondContact N-OD1 2.75Å; H351-D356 PolarHBondContact ND1-N 2.98Å; H351-F357 AromaticContact CE1-CE2 3.59Å | ||
| 352 | L | 95.3 | Very high | 87.4 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -77.1 | 122.1 | 176.2 | -58.7 | 178.5 | 0 | 0 | 0 | 110.2 | E31 E32 K35 S337 Y340 H350 F354 | E31-L352 HydrophobicContact CB-CD1 4.04Å; E31-L352 HydrophobicContact CB-CD2 3.81Å; E32-L352 HydrophobicContact CB-CB 4.43Å; E32-L352 HydrophobicContact CB-CD2 4.03Å; E32-L352 HydrophobicContact CG-CB 4.46Å; K35-L352 HydrophobicContact CB-CB 4.41Å; K35-L352 HydrophobicContact CB-CD1 4.36Å; K35-L352 HydrophobicContact CD-CB 3.52Å; K35-L352 HydrophobicContact CD-CD1 4.34Å; K35-L352 WeakPolarHBondContact CD-O 3.44Å; K35-L352 WeakPolarHBondContact CE-O 3.45Å; K35-L352 PolarHBondContact NZ-O 2.9Å; S337-L352 PolarHBondContact OG-N 2.83Å; Y340-L352 HydrophobicContact CD2-CD1 4.19Å; Y340-L352 HydrophobicContact CG-CD1 4.23Å; H350-L352 VanDerWaalsContact C-N 3.34Å; H350-L352 PolarHBondContact O-N 3.34Å; L352-F354 PolarHBondContact O-N 3.35Å |
| 353 | M | 96.9 | Very high | 88 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 64.7 | -46.1 | -171.3 | -50.5 | 179 | 72.3 | 0 | 0 | 114.8 | W25 E32 K35 C36 L39 N79 | W25-M353 HydrophobicContact CD2-CE 3.64Å; W25-M353 HydrophobicContact CE3-CE 4.29Å; W25-M353 HydrophobicContact CG-CE 3.73Å; W25-M353 HydrophobicContact CZ2-CB 3.89Å; W25-M353 HydrophobicContact CZ2-CE 4.21Å; E32-M353 HydrophobicContact CG-CB 4.46Å; E32-M353 HydrophobicContact CG-CG 3.6Å; E32-M353 WeakPolarHBondContact OE1-CA 3.4Å; E32-M353 WeakPolarHBondContact OE1-CG 3.47Å; E32-M353 PolarHBondContact OE1-N 2.92Å; K35-M353 HydrophobicContact CD-CG 4.42Å; K35-M353 HydrophobicContact CD-SD 4.45Å; K35-M353 HydrophobicContact CG-SD 4.18Å; C36-M353 HydrophobicContact CB-CE 4.19Å; C36-M353 HydrophobicContact CB-SD 3.92Å; L39-M353 HydrophobicContact CD2-CE 3.93Å; L39-M353 HydrophobicContact CD2-SD 4.28Å; N79-M353 WeakPolarHBondContact CB-O 3.31Å; N79-M353 PolarHBondContact ND2-O 3.34Å |
| 354 | F | 97.6 | Very high | 89 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -140 | 155.5 | -179.4 | -58.3 | -75.6 | 0 | 0 | 0 | 109.4 | W25 I299 L315 L334 F335 H351 L352 I361 | W25-F354 AromaticContact CH2-CE1 3.84Å; W25-F354 HydrophobicContact CH2-CE1 3.84Å; W25-F354 HydrophobicContact CH2-CE2 4.29Å; W25-F354 AromaticContact CH2-CZ 3.59Å; W25-F354 HydrophobicContact CH2-CZ 3.59Å; W25-F354 HydrophobicContact CZ2-CZ 4.32Å; W25-F354 HydrophobicContact CZ3-CZ 4.06Å; I299-F354 HydrophobicContact CD1-CE1 4.23Å; I299-F354 HydrophobicContact CG1-CE1 4Å; L315-F354 HydrophobicContact CD2-CZ 4.38Å; L334-F354 HydrophobicContact CD1-CD2 4.23Å; L334-F354 HydrophobicContact CD1-CE2 3.91Å; L334-F354 HydrophobicContact CG-CD2 4.19Å; L334-F354 HydrophobicContact CG-CE2 4.17Å; F335-F354 HydrophobicContact CD1-CB 3.69Å; F335-F354 HydrophobicContact CD1-CD2 4.16Å; F335-F354 AromaticContact CD1-CG 3.97Å; F335-F354 HydrophobicContact CD1-CG 3.97Å; F335-F354 HydrophobicContact CE1-CB 4.19Å; F335-F354 HydrophobicContact CE1-CD1 4.43Å; F335-F354 HydrophobicContact CE1-CD2 4.21Å; F335-F354 HydrophobicContact CE1-CG 4.02Å; H351-F354 CarbonylContact C-O 3.59Å; H351-F354 VanDerWaalsContact C-O 3.29Å; H351-F354 VanDerWaalsContact CA-O 3.27Å; H351-F354 WeakPolarHBondContact CA-O 3.26Å; L352-F354 PolarHBondContact O-N 3.35Å; F354-I361 HydrophobicContact CD1-CD1 4.32Å; F354-I361 HydrophobicContact CE1-CD1 3.62Å; F354-I361 HydrophobicContact CE1-CG1 4.47Å; F354-I361 HydrophobicContact CZ-CD1 3.84Å |
| 355 | S | 96.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | trans | -61.9 | 140 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | E100 R249 H351 F357 T358 | E100-S355 PolarHBondContact OE1-N 3.24Å; E100-S355 WeakPolarHBondContact OE2-CB 3.49Å; R249-S355 PolarHBondContact NH1-OG 2.91Å; H351-S355 PolarHBondContact ND1-OG 3.23Å; S355-F357 PolarHBondContact O-N 3.47Å; S355-F357 WeakPolarHBondContact OG-CD2 3.47Å; S355-F357 PolarHBondContact OG-N 3.2Å; S355-T358 PolarHBondContact N-OG1 3.21Å; S355-T358 VanDerWaalsContact O-CB 3.24Å; S355-T358 WeakPolarHBondContact O-CB 2.97Å; S355-T358 PolarHBondContact O-N 3.04Å; S355-T358 PolarHBondContact O-OG1 3.45Å | ||
| 356 | D | 95.7 | Very high | 91.6 | Very high | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.3 | 169.8 | -69.4 | 37.8 | 0 | 0 | 0 | 114 | F335 S337 H351 | F335-D356 VanDerWaalsContact O-CA 3.3Å; F335-D356 WeakPolarHBondContact O-CA 3.47Å; S337-D356 WeakPolarHBondContact CB-OD1 3.15Å; S337-D356 PolarHBondContact N-OD2 3.27Å; S337-D356 PolarHBondContact OG-OD1 3.07Å; H351-D356 WeakPolarHBondContact CA-OD1 2.96Å; H351-D356 PolarHBondContact N-OD1 2.75Å; H351-D356 PolarHBondContact ND1-N 2.98Å |
| 357 | F | 96.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 15% | 0.154 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -17.2 | 173.5 | -52.2 | -59.1 | 0 | 0 | 0 | 113.4 | Y102 R249 Q251 E252 L255 H351 S355 K359 | Y102-F357 HydrophobicContact CD1-CB 3.91Å; Y102-F357 HydrophobicContact CE1-CB 4.33Å; R249-F357 VanDerWaalsContact CZ-CD2 3.43Å; Q251-F357 HydrophobicContact CB-CD1 4.31Å; Q251-F357 HydrophobicContact CB-CD2 4.2Å; Q251-F357 HydrophobicContact CB-CE1 3.96Å; Q251-F357 HydrophobicContact CB-CE2 3.85Å; Q251-F357 HydrophobicContact CB-CG 4.43Å; Q251-F357 HydrophobicContact CB-CZ 3.72Å; Q251-F357 VanDerWaalsContact O-CZ 3.27Å; Q251-F357 WeakPolarHBondContact O-CZ 3.45Å; E252-F357 HydrophobicContact CG-CE2 4.41Å; E252-F357 WeakPolarHBondContact OE1-CE2 3.4Å; L255-F357 HydrophobicContact CB-CE1 4.14Å; L255-F357 HydrophobicContact CB-CZ 3.82Å; L255-F357 HydrophobicContact CD2-CE1 4.28Å; L255-F357 HydrophobicContact CD2-CE2 4.35Å; L255-F357 HydrophobicContact CD2-CZ 3.72Å; L255-F357 HydrophobicContact CG-CZ 4.39Å; H351-F357 AromaticContact CE1-CE2 3.59Å; S355-F357 PolarHBondContact O-N 3.47Å; S355-F357 WeakPolarHBondContact OG-CD2 3.47Å; S355-F357 PolarHBondContact OG-N 3.2Å; F357-K359 PolarHBondContact O-N 2.81Å |
| 358 | T | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -61.2 | 135.4 | 179.4 | -44.6 | 0 | 0 | 0 | 0 | 110.2 | E100 F335 S355 S360 | E100-T358 HydrophobicContact CB-CG2 3.97Å; E100-T358 HydrophobicContact CG-CG2 4.08Å; E100-T358 PolarHBondContact OE2-OG1 2.93Å; F335-T358 WeakPolarHBondContact CB-O 3.37Å; F335-T358 HydrophobicContact CD1-CG2 3.64Å; F335-T358 HydrophobicContact CD2-CG2 4.26Å; F335-T358 WeakPolarHBondContact CD2-O 3.46Å; F335-T358 HydrophobicContact CE1-CG2 3.4Å; F335-T358 HydrophobicContact CE2-CG2 4.06Å; F335-T358 HydrophobicContact CG-CG2 4.07Å; F335-T358 WeakPolarHBondContact CG-O 3.41Å; F335-T358 HydrophobicContact CZ-CG2 3.63Å; S355-T358 PolarHBondContact N-OG1 3.21Å; S355-T358 VanDerWaalsContact O-CB 3.24Å; S355-T358 WeakPolarHBondContact O-CB 2.97Å; S355-T358 PolarHBondContact O-N 3.04Å; S355-T358 PolarHBondContact O-OG1 3.45Å; T358-S360 WeakPolarHBondContact CG2-O 3.36Å | ||
| 359 | K | 97.1 | Very high | 94.9 | Very high | 84 Ų | 84 | 30.4 Ų | 30.4 | 37% | 0.365 | 16% | 0.16 | S | C | . | . | trans | -119.1 | -20.6 | 174.4 | -56.7 | -58.1 | 170.7 | -153.5 | 0 | 112.4 | N101 I104 P324 F357 | N101-K359 PolarHBondContact O-N 2.87Å; I104-K359 HydrophobicContact CG1-CB 3.98Å; I104-K359 HydrophobicContact CG1-CG 4.45Å; P324-K359 WeakPolarHBondContact CD-O 3.43Å; P324-K359 HydrophobicContact CG-CD 4.39Å; P324-K359 WeakPolarHBondContact CG-O 3.27Å; F357-K359 PolarHBondContact O-N 2.81Å | ||
| 360 | S | 97.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.063 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 170.2 | 172.2 | -169 | 0 | 0 | 0 | 0 | 109.9 | N101 N106 T358 | N101-S360 WeakPolarHBondContact CA-O 3.49Å; N101-S360 WeakPolarHBondContact CB-O 3.15Å; N101-S360 PolarHBondContact N-O 3.1Å; N101-S360 PolarHBondContact O-N 3.32Å; N101-S360 VanDerWaalsContact O-N 3.1Å; N106-S360 PolarHBondContact ND2-OG 3.23Å; T358-S360 WeakPolarHBondContact CG2-O 3.36Å |
| 361 | I | 97.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.9 | 169.5 | -62.1 | 176 | 0 | 0 | 0 | 107.1 | A98 N106 I299 L315 V319 F335 F354 I363 | A98-I361 HydrophobicContact CB-CG2 3.64Å; N106-I361 PolarHBondContact ND2-O 3.05Å; I299-I361 HydrophobicContact CD1-CG2 4.2Å; L315-I361 HydrophobicContact CD2-CD1 4.13Å; V319-I361 HydrophobicContact CG2-CB 3.87Å; V319-I361 HydrophobicContact CG2-CD1 3.78Å; V319-I361 HydrophobicContact CG2-CG1 3.73Å; F335-I361 HydrophobicContact CE1-CD1 4.4Å; F335-I361 HydrophobicContact CE1-CG1 4.17Å; F335-I361 HydrophobicContact CZ-CG1 4.1Å; F354-I361 HydrophobicContact CD1-CD1 4.32Å; F354-I361 HydrophobicContact CE1-CD1 3.62Å; F354-I361 HydrophobicContact CE1-CG1 4.47Å; F354-I361 HydrophobicContact CZ-CD1 3.84Å; I361-I363 HydrophobicContact CG2-CD1 4.04Å |
| 362 | Y | 97.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.7 | 174.3 | 173.6 | -123.5 | 0 | 0 | 0 | 109.6 | A98 V99 N106 R111 L113 P364 W375 | A98-Y362 WeakPolarHBondContact CA-O 3.48Å; V99-Y362 HydrophobicContact CG2-CD1 3.88Å; V99-Y362 HydrophobicContact CG2-CG 4.46Å; V99-Y362 PolarHBondContact N-O 3.43Å; V99-Y362 PolarHBondContact O-N 2.93Å; N106-Y362 HydrophobicContact CB-CD2 4.26Å; R111-Y362 PolarHBondContact NH1-OH 2.68Å; L113-Y362 HydrophobicContact CD1-CD1 3.63Å; L113-Y362 HydrophobicContact CD1-CE1 4.05Å; L113-Y362 HydrophobicContact CD1-CG 4.5Å; L113-Y362 HydrophobicContact CD2-CD1 4.33Å; Y362-P364 HydrophobicContact CD1-CG 3.96Å; Y362-P364 HydrophobicContact CE1-CB 3.89Å; Y362-P364 HydrophobicContact CE1-CG 3.76Å; Y362-P364 WeakPolarHBondContact O-CD 3.47Å; Y362-W375 HydrophobicContact CD1-CH2 4.01Å; Y362-W375 AromaticContact CE1-CH2 3.91Å; Y362-W375 HydrophobicContact CE1-CH2 3.91Å; Y362-W375 HydrophobicContact CE1-CZ3 4.18Å |
| 363 | I | 96.6 | Very high | 95 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 17% | 0.169 | 18% | 0.179 | C | C | . | . | trans | -101.4 | 104.5 | 174 | -49.7 | -58.5 | 0 | 0 | 0 | 107.9 | A98 I312 E316 I361 | A98-I363 HydrophobicContact CB-CD1 3.45Å; A98-I363 VanDerWaalsContact CB-CD1 3.45Å; I312-I363 HydrophobicContact CD1-CG2 3.97Å; I312-I363 HydrophobicContact CG1-CG2 4.08Å; I312-I363 HydrophobicContact CG2-CB 4.47Å; I312-I363 HydrophobicContact CG2-CD1 4.26Å; I312-I363 HydrophobicContact CG2-CG1 4.07Å; I312-I363 HydrophobicContact CG2-CG2 3.7Å; E316-I363 HydrophobicContact CG-CG1 4.21Å; I361-I363 HydrophobicContact CG2-CD1 4.04Å | ||
| 364 | P | 94.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | trans | -72.5 | 161.5 | 174.9 | -11.4 | 28.1 | 0 | 0 | 0 | 111.3 | Y362 V366 E368 T369 W375 | Y362-P364 HydrophobicContact CD1-CG 3.96Å; Y362-P364 HydrophobicContact CE1-CB 3.89Å; Y362-P364 HydrophobicContact CE1-CG 3.76Å; Y362-P364 WeakPolarHBondContact O-CD 3.47Å; P364-V366 PolarHBondContact O-N 3.31Å; P364-E368 HydrophobicContact CB-CB 4.39Å; P364-T369 HydrophobicContact CB-CG2 3.81Å; P364-T369 HydrophobicContact CG-CG2 3.72Å; P364-W375 HydrophobicContact CB-CE3 3.89Å; P364-W375 HydrophobicContact CB-CH2 4.3Å; P364-W375 HydrophobicContact CB-CZ3 3.47Å; P364-W375 VanDerWaalsContact CB-CZ3 3.47Å; P364-W375 HydrophobicContact CG-CD2 4.42Å; P364-W375 HydrophobicContact CG-CE3 3.65Å; P364-W375 HydrophobicContact CG-CH2 3.65Å; P364-W375 HydrophobicContact CG-CZ2 4.43Å; P364-W375 HydrophobicContact CG-CZ3 3.22Å | ||
| 365 | P | 94 | Very high | 94.6 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | trans | -52.5 | 141.2 | 168.5 | -23.6 | 34.2 | 0 | 0 | 0 | 111.3 | T367 E368 T369 | P365-T367 PolarHBondContact O-N 3.13Å; P365-E368 WeakPolarHBondContact O-CB 3.36Å; P365-E368 PolarHBondContact O-N 2.86Å; P365-T369 PolarHBondContact O-N 2.95Å | ||
| 366 | V | 90.4 | Very high | 94.4 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 44% | 0.436 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54 | -34 | -180 | 178 | 0 | 0 | 0 | 0 | 111.7 | P364 E368 T369 E370 | P364-V366 PolarHBondContact O-N 3.31Å; V366-E368 PolarHBondContact O-N 2.91Å; V366-T369 CarbonylContact O-C 3.56Å; V366-T369 PolarHBondContact O-N 3.42Å; V366-T369 PolarHBondContact O-OG1 3.09Å; V366-E370 WeakPolarHBondContact O-CG 3.42Å; V366-E370 PolarHBondContact O-N 3.43Å |
| 367 | T | 92.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 44.5 Ų | 44.5 | 52% | 0.521 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.3 | -29 | 177.9 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | P365 R374 | P365-T367 PolarHBondContact O-N 3.13Å; T367-R374 WeakPolarHBondContact O-CD 3.47Å; T367-R374 PolarHBondContact O-NH1 2.91Å |
| 368 | E | 93.1 | Very high | 93.8 | Very high | 79 Ų | 79 | 48 Ų | 48 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -86 | -20.5 | 177.7 | -65.5 | 174.8 | -154 | 0 | 0 | 112 | P364 P365 V366 R374 W375 | P364-E368 HydrophobicContact CB-CB 4.39Å; P365-E368 WeakPolarHBondContact O-CB 3.36Å; P365-E368 PolarHBondContact O-N 2.86Å; V366-E368 PolarHBondContact O-N 2.91Å; E368-R374 CarbonylContact O-C 3.57Å; E368-R374 VanDerWaalsContact O-C 3.31Å; E368-R374 VanDerWaalsContact O-CB 3.26Å; E368-R374 WeakPolarHBondContact O-CB 3.36Å; E368-W375 HydrophobicContact CB-CE3 4.39Å; E368-W375 WeakPolarHBondContact O-CB 3.45Å; E368-W375 PolarHBondContact O-N 3.32Å |
| 369 | T | 93 | Very high | 93.5 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -113.4 | 8 | -175.8 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | R95 P96 P364 P365 V366 T371 W375 | R95-T369 PolarHBondContact NE-O 2.64Å; R95-T369 PolarHBondContact NH2-O 3.36Å; P96-T369 HydrophobicContact CG-CG2 4.41Å; P96-T369 WeakPolarHBondContact O-CB 3.48Å; P96-T369 VanDerWaalsContact O-O 3.12Å; P364-T369 HydrophobicContact CB-CG2 3.81Å; P364-T369 HydrophobicContact CG-CG2 3.72Å; P365-T369 PolarHBondContact O-N 2.95Å; V366-T369 CarbonylContact O-C 3.56Å; V366-T369 PolarHBondContact O-N 3.42Å; V366-T369 PolarHBondContact O-OG1 3.09Å; T369-T371 PolarHBondContact O-N 3.02Å; T369-W375 HydrophobicContact CG2-CE3 4.41Å |
| 370 | E | 91.1 | Very high | 93.3 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -55.8 | -34.2 | 174.1 | -92.1 | 173.3 | -130.2 | 0 | 0 | 112.2 | V366 R374 | V366-E370 WeakPolarHBondContact O-CG 3.42Å; V366-E370 PolarHBondContact O-N 3.43Å; E370-R374 IonicContact OE1-NH1 3.28Å; E370-R374 PolarHBondContact OE1-NH1 2.94Å; E370-R374 VanDerWaalsContact OE1-NH1 3.14Å; E370-R374 IonicContact OE2-CZ 3.84Å; E370-R374 IonicContact OE2-NH1 3.39Å; E370-R374 PolarHBondContact OE2-NH1 3.15Å; E370-R374 IonicContact OE2-NH2 3.06Å; E370-R374 PolarHBondContact OE2-NH2 3.13Å |
| 371 | T | 92.5 | Very high | 93 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -143.6 | 156.5 | 174.5 | 68.8 | 0 | 0 | 0 | 0 | 109.6 | T369 Y373 R374 | T369-T371 PolarHBondContact O-N 3.02Å; T371-Y373 VanDerWaalsContact C-N 3.26Å; T371-Y373 PolarHBondContact O-N 3.23Å; T371-R374 PolarHBondContact O-N 3.32Å; T371-R374 VanDerWaalsContact O-N 3.17Å; T371-R374 PolarHBondContact OG1-N 3.36Å |
| 372 | Y | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -50.1 | -45.3 | 172.7 | 171.8 | -101.2 | 0 | 0 | 0 | 113 | V82 A85 Y86 S89 M298 R374 W375 I376 F380 L384 | V82-Y372 HydrophobicContact CG1-CE2 4.45Å; V82-Y372 WeakPolarHBondContact O-CE2 3.46Å; V82-Y372 PolarHBondContact O-OH 3.09Å; A85-Y372 HydrophobicContact CB-CD2 4.02Å; A85-Y372 HydrophobicContact CB-CE2 3.75Å; Y86-Y372 HydrophobicContact CD2-CD1 4.39Å; Y86-Y372 AromaticContact CD2-CE1 3.83Å; Y86-Y372 HydrophobicContact CD2-CE1 3.83Å; Y86-Y372 HydrophobicContact CG-CE1 4.36Å; S89-Y372 WeakPolarHBondContact OG-CB 3.32Å; M298-Y372 HydrophobicContact CE-CE2 4.14Å; M298-Y372 HydrophobicContact SD-CD2 4.3Å; M298-Y372 HydrophobicContact SD-CE2 4.4Å; Y372-R374 PolarHBondContact O-N 3.11Å; Y372-W375 PolarHBondContact O-N 3.36Å; Y372-I376 HydrophobicContact CD1-CD1 4.06Å; Y372-I376 HydrophobicContact CD1-CG2 4.4Å; Y372-I376 HydrophobicContact CD2-CG2 4.11Å; Y372-I376 HydrophobicContact CE1-CD1 3.55Å; Y372-I376 HydrophobicContact CE1-CG1 4.49Å; Y372-I376 HydrophobicContact CE1-CG2 3.92Å; Y372-I376 HydrophobicContact CE2-CG2 3.59Å; Y372-I376 HydrophobicContact CG-CG2 4.49Å; Y372-I376 VanDerWaalsContact CZ-CG2 3.48Å; Y372-I376 PolarHBondContact O-N 3.42Å; Y372-F380 WeakPolarHBondContact OH-CE1 3.49Å; Y372-L384 HydrophobicContact CE1-CD1 4.17Å |
| 373 | Y | 92.9 | Very high | 92.6 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 30% | 0.302 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.7 | -17.4 | -176.1 | -61.8 | -76 | 0 | 0 | 0 | 114.9 | Y86 T371 I376 R419 | Y86-Y373 HydrophobicContact CD2-CE1 4.42Å; Y86-Y373 HydrophobicContact CE2-CE1 4.22Å; Y86-Y373 VanDerWaalsContact CE2-OH 3.25Å; Y86-Y373 WeakPolarHBondContact CE2-OH 3.44Å; T371-Y373 VanDerWaalsContact C-N 3.26Å; T371-Y373 PolarHBondContact O-N 3.23Å; Y373-I376 HydrophobicContact CD1-CD1 4.01Å; Y373-R419 PolarHBondContact OH-NH2 3.07Å |
| 374 | R | 93 | Very high | 92.4 | Very high | 132 Ų | 132 | 55 Ų | 55 | 50% | 0.498 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -82.3 | -26.2 | 176 | -75 | -168.4 | -174.3 | 178.9 | 12.8 | 113 | T367 E368 E370 T371 Y372 | T367-R374 WeakPolarHBondContact O-CD 3.47Å; T367-R374 PolarHBondContact O-NH1 2.91Å; E368-R374 CarbonylContact O-C 3.57Å; E368-R374 VanDerWaalsContact O-C 3.31Å; E368-R374 VanDerWaalsContact O-CB 3.26Å; E368-R374 WeakPolarHBondContact O-CB 3.36Å; E370-R374 IonicContact OE1-NH1 3.28Å; E370-R374 PolarHBondContact OE1-NH1 2.94Å; E370-R374 VanDerWaalsContact OE1-NH1 3.14Å; E370-R374 IonicContact OE2-CZ 3.84Å; E370-R374 IonicContact OE2-NH1 3.39Å; E370-R374 PolarHBondContact OE2-NH1 3.15Å; E370-R374 IonicContact OE2-NH2 3.06Å; E370-R374 PolarHBondContact OE2-NH2 3.13Å; T371-R374 PolarHBondContact O-N 3.32Å; T371-R374 VanDerWaalsContact O-N 3.17Å; T371-R374 PolarHBondContact OG1-N 3.36Å; Y372-R374 PolarHBondContact O-N 3.11Å |
| 375 | W | 92 | Very high | 92.3 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -89.4 | -39.2 | -178.5 | 174.1 | -98.5 | 0 | 0 | 0 | 112.5 | P96 V99 L113 M298 Y362 P364 E368 T369 Y372 | P96-W375 HydrophobicContact CG-CB 4.29Å; V99-W375 HydrophobicContact CB-CZ2 3.99Å; V99-W375 HydrophobicContact CG1-CD2 4.3Å; V99-W375 VanDerWaalsContact CG1-CE2 3.42Å; V99-W375 HydrophobicContact CG1-CH2 4.43Å; V99-W375 HydrophobicContact CG1-CZ2 3.5Å; V99-W375 HydrophobicContact CG2-CH2 3.79Å; V99-W375 HydrophobicContact CG2-CZ2 3.42Å; V99-W375 VanDerWaalsContact CG2-CZ2 3.42Å; L113-W375 HydrophobicContact CD1-CH2 3.94Å; L113-W375 HydrophobicContact CD1-CZ2 4.32Å; M298-W375 HydrophobicContact CE-CG 4.46Å; M298-W375 HydrophobicContact SD-CG 4.44Å; Y362-W375 HydrophobicContact CD1-CH2 4.01Å; Y362-W375 AromaticContact CE1-CH2 3.91Å; Y362-W375 HydrophobicContact CE1-CH2 3.91Å; Y362-W375 HydrophobicContact CE1-CZ3 4.18Å; P364-W375 HydrophobicContact CB-CE3 3.89Å; P364-W375 HydrophobicContact CB-CH2 4.3Å; P364-W375 HydrophobicContact CB-CZ3 3.47Å; P364-W375 VanDerWaalsContact CB-CZ3 3.47Å; P364-W375 HydrophobicContact CG-CD2 4.42Å; P364-W375 HydrophobicContact CG-CE3 3.65Å; P364-W375 HydrophobicContact CG-CH2 3.65Å; P364-W375 HydrophobicContact CG-CZ2 4.43Å; P364-W375 HydrophobicContact CG-CZ3 3.22Å; E368-W375 HydrophobicContact CB-CE3 4.39Å; E368-W375 WeakPolarHBondContact O-CB 3.45Å; E368-W375 PolarHBondContact O-N 3.32Å; T369-W375 HydrophobicContact CG2-CE3 4.41Å; Y372-W375 PolarHBondContact O-N 3.36Å |
| 376 | I | 93.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -65.1 | 145.7 | -178.6 | 62.6 | 177.9 | 0 | 0 | 0 | 112.7 | V82 M298 Y372 Y373 F380 K381 | V82-I376 HydrophobicContact CG1-CG2 4.03Å; M298-I376 HydrophobicContact CE-CG2 3.85Å; Y372-I376 HydrophobicContact CD1-CD1 4.06Å; Y372-I376 HydrophobicContact CD1-CG2 4.4Å; Y372-I376 HydrophobicContact CD2-CG2 4.11Å; Y372-I376 HydrophobicContact CE1-CD1 3.55Å; Y372-I376 HydrophobicContact CE1-CG1 4.49Å; Y372-I376 HydrophobicContact CE1-CG2 3.92Å; Y372-I376 HydrophobicContact CE2-CG2 3.59Å; Y372-I376 HydrophobicContact CG-CG2 4.49Å; Y372-I376 VanDerWaalsContact CZ-CG2 3.48Å; Y372-I376 PolarHBondContact O-N 3.42Å; Y373-I376 HydrophobicContact CD1-CD1 4.01Å; I376-F380 HydrophobicContact CG2-CD1 4.45Å; I376-K381 HydrophobicContact CD1-CB 3.88Å; I376-K381 HydrophobicContact CD1-CG 4.32Å |
| 377 | D | 88.2 | Confident | 92.2 | Very high | 69 Ų | 69 | 55.6 Ų | 55.6 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | trans | -64.8 | 144.3 | 172.9 | -72.7 | -60.9 | 0 | 0 | 0 | 111.5 | S379 F380 K381 | D377-S379 PolarHBondContact O-N 3.48Å; D377-S379 VanDerWaalsContact O-N 3.11Å; D377-F380 PolarHBondContact O-N 3.03Å; D377-K381 PolarHBondContact O-N 2.99Å | ||
| 378 | P | 91.3 | Very high | 91.9 | Very high | 107 Ų | 107 | 55.1 Ų | 55.1 | 70% | 0.695 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -55 | -30.9 | 174.1 | -27.2 | 34.8 | 0 | 0 | 0 | 113.9 | K382 | P378-K382 WeakPolarHBondContact O-CB 3.46Å; P378-K382 PolarHBondContact O-N 3.11Å |
| 379 | S | 89.9 | Confident | 91.6 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 53% | 0.531 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | D377 K382 A383 | D377-S379 PolarHBondContact O-N 3.48Å; D377-S379 VanDerWaalsContact O-N 3.11Å; S379-K382 PolarHBondContact O-N 2.69Å; S379-A383 PolarHBondContact O-N 2.59Å; S379-A383 VanDerWaalsContact O-N 3.15Å |
| 380 | F | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.3 | -41.3 | 177.5 | -170.4 | -94.2 | 0 | 0 | 0 | 111 | V82 A145 V149 M150 I294 Y372 I376 D377 K382 A383 L384 | V82-F380 HydrophobicContact CB-CZ 4.4Å; V82-F380 HydrophobicContact CG1-CD1 3.83Å; V82-F380 HydrophobicContact CG1-CE1 3.58Å; V82-F380 HydrophobicContact CG1-CE2 4.43Å; V82-F380 HydrophobicContact CG1-CG 4.37Å; V82-F380 HydrophobicContact CG1-CZ 3.89Å; A145-F380 HydrophobicContact CB-CE2 3.63Å; A145-F380 HydrophobicContact CB-CZ 3.76Å; V149-F380 HydrophobicContact CB-CE2 4.37Å; V149-F380 HydrophobicContact CB-CZ 4.14Å; V149-F380 HydrophobicContact CG1-CE2 4.06Å; V149-F380 HydrophobicContact CG1-CZ 3.84Å; V149-F380 HydrophobicContact CG2-CZ 4.32Å; M150-F380 HydrophobicContact CG-CE2 4.3Å; M150-F380 HydrophobicContact SD-CD2 3.7Å; M150-F380 HydrophobicContact SD-CE2 3.85Å; I294-F380 HydrophobicContact CG1-CD2 4.47Å; I294-F380 HydrophobicContact CG1-CE2 4.36Å; I294-F380 HydrophobicContact CG2-CD2 4.29Å; I294-F380 HydrophobicContact CG2-CE2 4.09Å; Y372-F380 WeakPolarHBondContact OH-CE1 3.49Å; I376-F380 HydrophobicContact CG2-CD1 4.45Å; D377-F380 PolarHBondContact O-N 3.03Å; F380-K382 VanDerWaalsContact C-N 3.26Å; F380-K382 PolarHBondContact O-N 3.17Å; F380-A383 WeakPolarHBondContact O-CA 3.12Å; F380-A383 WeakPolarHBondContact O-CB 3.06Å; F380-A383 PolarHBondContact O-N 3.04Å; F380-L384 HydrophobicContact CD1-CD1 4.11Å; F380-L384 HydrophobicContact CD1-CG 4.36Å; F380-L384 HydrophobicContact CE1-CD1 3.83Å; F380-L384 HydrophobicContact CE1-CD2 4.32Å; F380-L384 HydrophobicContact CE1-CG 3.93Å; F380-L384 PolarHBondContact O-N 3.27Å |
| 381 | K | 93 | Very high | 91.1 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 39% | 0.391 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.2 | -45.3 | 172 | -174.2 | -175.9 | 174.5 | -171 | 0 | 111.5 | I376 D377 A383 L384 E385 | I376-K381 HydrophobicContact CD1-CB 3.88Å; I376-K381 HydrophobicContact CD1-CG 4.32Å; D377-K381 PolarHBondContact O-N 2.99Å; K381-A383 VanDerWaalsContact C-N 3.27Å; K381-A383 PolarHBondContact O-N 2.9Å; K381-L384 WeakPolarHBondContact O-CB 3.38Å; K381-L384 PolarHBondContact O-N 3.19Å; K381-E385 VanDerWaalsContact CE-OE1 3.31Å; K381-E385 WeakPolarHBondContact CE-OE1 3.15Å; K381-E385 WeakPolarHBondContact O-CG 3.25Å; K381-E385 PolarHBondContact O-N 3.17Å; K381-E385 VanDerWaalsContact O-N 3.09Å |
| 382 | K | 92.8 | Very high | 90.7 | Very high | 124 Ų | 124 | 55.7 Ų | 55.7 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.4 | -33.1 | 175.5 | -169.3 | 179 | -179.4 | 177.4 | 0 | 112.4 | P378 S379 F380 E385 K386 | P378-K382 WeakPolarHBondContact O-CB 3.46Å; P378-K382 PolarHBondContact O-N 3.11Å; S379-K382 PolarHBondContact O-N 2.69Å; F380-K382 VanDerWaalsContact C-N 3.26Å; F380-K382 PolarHBondContact O-N 3.17Å; K382-E385 PolarHBondContact O-N 2.89Å; K382-K386 VanDerWaalsContact O-CG 3.27Å; K382-K386 WeakPolarHBondContact O-CG 3.27Å; K382-K386 PolarHBondContact O-N 2.73Å |
| 383 | A | 93.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | V149 M150 S379 F380 K381 K386 L387 | V149-A383 HydrophobicContact CG1-CB 4.15Å; M150-A383 HydrophobicContact CE-CB 3.9Å; M150-A383 HydrophobicContact SD-CB 3.46Å; M150-A383 WeakPolarHBondContact SD-CB 3.31Å; S379-A383 PolarHBondContact O-N 2.59Å; S379-A383 VanDerWaalsContact O-N 3.15Å; F380-A383 WeakPolarHBondContact O-CA 3.12Å; F380-A383 WeakPolarHBondContact O-CB 3.06Å; F380-A383 PolarHBondContact O-N 3.04Å; K381-A383 VanDerWaalsContact C-N 3.27Å; K381-A383 PolarHBondContact O-N 2.9Å; A383-K386 WeakPolarHBondContact O-CB 3.29Å; A383-K386 PolarHBondContact O-N 3.21Å; A383-L387 PolarHBondContact O-N 3.14Å; A383-L387 VanDerWaalsContact O-N 3.11Å |
| 384 | L | 92.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 170.8 | -70.6 | 166.8 | 0 | 0 | 0 | 111.5 | Y86 V149 Y372 F380 K381 K386 L387 E388 | Y86-L384 HydrophobicContact CD1-CD2 4.17Å; Y86-L384 HydrophobicContact CD2-CD1 3.82Å; Y86-L384 HydrophobicContact CE2-CD1 4.33Å; Y86-L384 HydrophobicContact CG-CD1 4.09Å; Y86-L384 HydrophobicContact CG-CD2 4.13Å; V149-L384 HydrophobicContact CG1-CD2 3.73Å; V149-L384 HydrophobicContact CG1-CG 4.05Å; V149-L384 HydrophobicContact CG2-CD2 3.94Å; Y372-L384 HydrophobicContact CE1-CD1 4.17Å; F380-L384 HydrophobicContact CD1-CD1 4.11Å; F380-L384 HydrophobicContact CD1-CG 4.36Å; F380-L384 HydrophobicContact CE1-CD1 3.83Å; F380-L384 HydrophobicContact CE1-CD2 4.32Å; F380-L384 HydrophobicContact CE1-CG 3.93Å; F380-L384 PolarHBondContact O-N 3.27Å; K381-L384 WeakPolarHBondContact O-CB 3.38Å; K381-L384 PolarHBondContact O-N 3.19Å; L384-K386 VanDerWaalsContact C-N 3.29Å; L384-K386 PolarHBondContact O-N 3.49Å; L384-L387 WeakPolarHBondContact O-CB 3.48Å; L384-L387 PolarHBondContact O-N 2.76Å; L384-L387 VanDerWaalsContact O-N 3.13Å; L384-E388 PolarHBondContact O-N 3.12Å; L384-E388 VanDerWaalsContact O-N 3.09Å |
| 385 | E | 91.6 | Very high | 90.5 | Very high | 103 Ų | 103 | 54.9 Ų | 54.9 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 177.1 | -68.8 | 167.9 | -179.7 | 0 | 0 | 112.3 | K381 K382 E388 S389 | K381-E385 VanDerWaalsContact CE-OE1 3.31Å; K381-E385 WeakPolarHBondContact CE-OE1 3.15Å; K381-E385 WeakPolarHBondContact O-CG 3.25Å; K381-E385 PolarHBondContact O-N 3.17Å; K381-E385 VanDerWaalsContact O-N 3.09Å; K382-E385 PolarHBondContact O-N 2.89Å; E385-E388 PolarHBondContact O-N 2.75Å; E385-S389 PolarHBondContact O-N 2.73Å; E385-S389 VanDerWaalsContact O-N 3.12Å |
| 386 | K | 92.3 | Very high | 90.8 | Very high | 37 Ų | 37 | 53.2 Ų | 53.2 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 174.2 | -73.1 | 175.2 | -168.3 | -176.5 | 0 | 112.3 | D158 K382 A383 L384 E388 S389 | D158-K386 WeakPolarHBondContact OD1-CE 2.97Å; D158-K386 IonicContact OD1-NZ 2.78Å; D158-K386 PolarHBondContact OD1-NZ 2.91Å; D158-K386 IonicContact OD2-NZ 3.2Å; D158-K386 PolarHBondContact OD2-NZ 3.4Å; K382-K386 VanDerWaalsContact O-CG 3.27Å; K382-K386 WeakPolarHBondContact O-CG 3.27Å; K382-K386 PolarHBondContact O-N 2.73Å; A383-K386 WeakPolarHBondContact O-CB 3.29Å; A383-K386 PolarHBondContact O-N 3.21Å; L384-K386 VanDerWaalsContact C-N 3.29Å; L384-K386 PolarHBondContact O-N 3.49Å; K386-E388 VanDerWaalsContact C-N 3.33Å; K386-S389 WeakPolarHBondContact O-CB 3.37Å; K386-S389 PolarHBondContact O-N 2.84Å; K386-S389 PolarHBondContact O-OG 3.48Å |
| 387 | L | 90.8 | Very high | 91 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 178.3 | -175.5 | 70.5 | 0 | 0 | 0 | 111.6 | V149 V152 I156 V170 A383 L384 S389 | V149-L387 HydrophobicContact CG2-CD2 4.35Å; V152-L387 HydrophobicContact CB-CD1 3.88Å; V152-L387 HydrophobicContact CG1-CD1 3.64Å; I156-L387 HydrophobicContact CD1-CD1 4.35Å; V170-L387 HydrophobicContact CG1-CD1 3.82Å; V170-L387 HydrophobicContact CG2-CD1 4.04Å; V170-L387 HydrophobicContact CG2-CG 4.03Å; A383-L387 PolarHBondContact O-N 3.14Å; A383-L387 VanDerWaalsContact O-N 3.11Å; L384-L387 WeakPolarHBondContact O-CB 3.48Å; L384-L387 PolarHBondContact O-N 2.76Å; L384-L387 VanDerWaalsContact O-N 3.13Å; L387-S389 VanDerWaalsContact C-N 3.29Å |
| 388 | E | 86.6 | Confident | 91.5 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.1 | 177.9 | -65 | -178.2 | 168.2 | 0 | 0 | 113.4 | Y86 L384 E385 K386 C390 R419 | Y86-E388 WeakPolarHBondContact CE1-OE1 3.43Å; Y86-E388 PolarHBondContact OH-OE1 3.17Å; Y86-E388 PolarHBondContact OH-OE2 3.21Å; L384-E388 PolarHBondContact O-N 3.12Å; L384-E388 VanDerWaalsContact O-N 3.09Å; E385-E388 PolarHBondContact O-N 2.75Å; K386-E388 VanDerWaalsContact C-N 3.33Å; E388-C390 PolarHBondContact O-N 2.8Å; E388-R419 IonicContact OE2-NH1 2.8Å; E388-R419 PolarHBondContact OE2-NH1 3.47Å |
| 389 | S | 86.9 | Confident | 91.8 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | trans | -67.1 | 129.6 | -174.8 | 69.5 | 0 | 0 | 0 | 0 | 112.6 | E385 K386 L387 | E385-S389 PolarHBondContact O-N 2.73Å; E385-S389 VanDerWaalsContact O-N 3.12Å; K386-S389 WeakPolarHBondContact O-CB 3.37Å; K386-S389 PolarHBondContact O-N 2.84Å; K386-S389 PolarHBondContact O-OG 3.48Å; L387-S389 VanDerWaalsContact C-N 3.29Å | ||
| 390 | C | 89.2 | Confident | 92.1 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | trans | -112.6 | 105.3 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | C167 E388 L392 Q421 | C167-C390 HydrophobicContact CB-CB 3.82Å; C167-C390 WeakPolarHBondContact CB-SG 3.17Å; C167-C390 WeakPolarHBondContact SG-CB 3.2Å; C167-C390 CovalentContact SG-SG 2.02Å; C167-C390 PolarHBondContact SG-SG 3.31Å; E388-C390 PolarHBondContact O-N 2.8Å; C390-L392 PolarHBondContact O-N 2.71Å; C390-Q421 HydrophobicContact CB-CB 3.56Å; C390-Q421 HydrophobicContact CB-CG 3.84Å | ||
| 391 | P | 84.2 | Confident | 92.1 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 62% | 0.623 | 22% | 0.224 | S | C | * | . | trans | -80 | 10.9 | 179.2 | 34.4 | -35.8 | 0 | 0 | 0 | 112.9 | V164 | V164-P391 HydrophobicContact CB-CG 3.83Å; V164-P391 HydrophobicContact CG1-CG 4.46Å; V164-P391 HydrophobicContact CG2-CG 4.4Å | ||
| 392 | L | 83.9 | Confident | 92.2 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 28% | 0.277 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -82.1 | 150.9 | 179.9 | -58 | -175.6 | 0 | 0 | 0 | 110.9 | C167 C390 N668 | C167-L392 WeakPolarHBondContact SG-CD1 3.42Å; C390-L392 PolarHBondContact O-N 2.71Å; L392-N668 HydrophobicContact CD1-CB 4.1Å; L392-N668 WeakPolarHBondContact CD1-ND2 3.43Å |
| 393 | P | 87.2 | Confident | 92.3 | Very high | 111 Ų | 111 | 38.8 Ų | 38.8 | 72% | 0.721 | 21% | 0.213 | S | C | * | . | P | Polyproline II helix | trans | -58.4 | 151.4 | 175.2 | -22.9 | 33.8 | 0 | 0 | 0 | 112.5 | P422 | P393-P422 WeakPolarHBondContact O-CB 3.48Š|
| 394 | T | 92.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 45% | 0.454 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -60.6 | 143.6 | 169.6 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | D423 | T394-D423 CarbonylContact C-O 3.24Å; T394-D423 WeakPolarHBondContact CA-O 3.33Å; T394-D423 WeakPolarHBondContact CB-O 3.19Å; T394-D423 HydrophobicContact CG2-CB 4.13Å |
| 395 | L | 95.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.5 | -176.2 | -173.5 | 145.3 | 0 | 0 | 0 | 111.3 | W397 P422 D423 M424 F425 D445 M446 M669 L672 | L395-W397 HydrophobicContact CD2-CE3 4.29Å; L395-P422 HydrophobicContact CB-CG 4.23Å; L395-D423 PolarHBondContact N-O 3.3Å; L395-M424 HydrophobicContact CD2-CG 4.03Å; L395-M424 HydrophobicContact CD2-SD 4.33Å; L395-M424 CarbonylContact O-C 3.58Å; L395-M424 VanDerWaalsContact O-CA 3.3Å; L395-M424 WeakPolarHBondContact O-CA 3.45Å; L395-F425 VanDerWaalsContact O-CD1 3.31Å; L395-F425 WeakPolarHBondContact O-CD1 3.27Å; L395-F425 PolarHBondContact O-N 2.81Å; L395-D445 HydrophobicContact CG-CB 4.29Å; L395-M446 HydrophobicContact CD1-SD 3.62Å; L395-M446 HydrophobicContact CD2-CG 4.42Å; L395-M446 HydrophobicContact CD2-SD 3.77Å; L395-M446 HydrophobicContact CG-SD 4.07Å; L395-M669 HydrophobicContact CD1-CB 4.24Å; L395-M669 HydrophobicContact CD1-CG 3.68Å; L395-L672 HydrophobicContact CB-CD2 4.24Å; L395-L672 HydrophobicContact CD1-CD2 3.65Å; L395-L672 HydrophobicContact CD2-CD2 3.94Å; L395-L672 HydrophobicContact CG-CD2 4.16Å |
| 396 | G | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 112 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F425 D445 M446 | G396-F425 VanDerWaalsContact CA-CZ 3.45Å; G396-F425 WeakPolarHBondContact CA-O 3.48Å; G396-F425 VanDerWaalsContact N-CE1 3.34Å; G396-D445 PolarHBondContact N-OD2 3.19Å; G396-D445 PolarHBondContact O-N 3.22Å; G396-M446 PolarHBondContact O-N 3.39Å; G396-M446 VanDerWaalsContact O-N 3.1Å |
| 397 | W | 98.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.5 | 173.8 | -163.8 | -74.1 | 0 | 0 | 0 | 111.2 | L395 M411 M424 F425 C426 L427 M446 T448 V655 L673 I701 F702 | L395-W397 HydrophobicContact CD2-CE3 4.29Å; W397-M411 HydrophobicContact CD2-CE 4.19Å; W397-M411 HydrophobicContact CE3-CE 4.3Å; W397-M424 HydrophobicContact CB-CG 4.41Å; W397-M424 HydrophobicContact CB-SD 4.18Å; W397-M424 HydrophobicContact CE3-SD 4.18Å; W397-F425 PolarHBondContact N-O 3.21Å; W397-C426 CarbonylContact O-C 3.55Å; W397-C426 WeakPolarHBondContact O-CA 3.44Å; W397-L427 PolarHBondContact O-N 3.21Å; W397-M446 HydrophobicContact CD2-CB 4.37Å; W397-M446 HydrophobicContact CE3-CB 3.89Å; W397-M446 HydrophobicContact CE3-SD 4.36Å; W397-M446 HydrophobicContact CH2-CE 4.45Å; W397-M446 HydrophobicContact CZ3-CB 4.08Å; W397-M446 HydrophobicContact CZ3-CE 3.82Å; W397-M446 HydrophobicContact CZ3-SD 4.12Å; W397-T448 WeakPolarHBondContact CZ2-OG1 3.38Å; W397-V655 HydrophobicContact CH2-CB 4.49Å; W397-V655 HydrophobicContact CH2-CG1 3.68Å; W397-V655 HydrophobicContact CH2-CG2 3.94Å; W397-V655 HydrophobicContact CZ2-CG1 4.27Å; W397-V655 HydrophobicContact CZ3-CG1 4.13Å; W397-L673 HydrophobicContact CH2-CD1 4.16Å; W397-L673 HydrophobicContact CH2-CD2 4.06Å; W397-L673 HydrophobicContact CZ3-CD1 4.09Å; W397-L673 HydrophobicContact CZ3-CD2 3.75Å; W397-L673 HydrophobicContact CZ3-CG 4.33Å; W397-I701 HydrophobicContact CZ2-CG2 3.5Å; W397-F702 HydrophobicContact CH2-CE1 4.2Å; W397-F702 AromaticContact CH2-CZ 3.66Å; W397-F702 HydrophobicContact CH2-CZ 3.66Å; W397-F702 HydrophobicContact CZ2-CE1 4.36Å; W397-F702 AromaticContact CZ2-CZ 3.96Å; W397-F702 HydrophobicContact CZ2-CZ 3.96Å |
| 398 | C | 98.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.2 | 177.3 | -162.8 | 0 | 0 | 0 | 0 | 111.5 | L427 C435 A444 M446 V447 | C398-L427 CarbonylContact C-O 3.57Å; C398-L427 WeakPolarHBondContact CA-O 3.07Å; C398-C435 HydrophobicContact CB-CB 3.75Å; C398-C435 WeakPolarHBondContact CB-SG 3.1Å; C398-C435 WeakPolarHBondContact SG-CA 3.42Å; C398-C435 WeakPolarHBondContact SG-CB 3.15Å; C398-C435 CovalentContact SG-SG 2.04Å; C398-C435 PolarHBondContact SG-SG 3.1Å; C398-A444 HydrophobicContact CB-CB 3.99Å; C398-M446 PolarHBondContact N-O 2.85Å; C398-V447 HydrophobicContact CB-CB 4.32Å; C398-V447 WeakPolarHBondContact O-CG2 3.35Å |
| 399 | V | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 162.1 | 177.2 | -62 | 0 | 0 | 0 | 0 | 110.6 | E404 M405 C408 L427 Q428 A429 I701 | V399-E404 HydrophobicContact CB-CB 3.68Å; V399-E404 WeakPolarHBondContact CB-OE2 3.31Å; V399-E404 HydrophobicContact CG1-CB 3.9Å; V399-E404 HydrophobicContact CG2-CB 4.44Å; V399-M405 HydrophobicContact CG2-CB 3.92Å; V399-M405 HydrophobicContact CG2-CE 3.79Å; V399-C408 HydrophobicContact CG1-CB 3.95Å; V399-L427 WeakPolarHBondContact CG2-O 3.37Å; V399-L427 PolarHBondContact N-O 2.9Å; V399-Q428 HydrophobicContact CG2-CB 4.17Å; V399-Q428 HydrophobicContact CG2-CG 4.4Å; V399-Q428 WeakPolarHBondContact O-CA 3.36Å; V399-A429 PolarHBondContact O-N 3.41Å; V399-I701 HydrophobicContact CG1-CG1 4.48Å |
| 400 | I | 95.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -106.3 | -14.1 | -172.6 | 60.3 | 163.1 | 0 | 0 | 0 | 115.1 | E404 D577 | I400-E404 VanDerWaalsContact CG1-OE2 3.28Å; I400-E404 WeakPolarHBondContact CG1-OE2 3.4Å; I400-E404 PolarHBondContact N-OE2 3.29Å; I400-D577 HydrophobicContact CD1-CB 4.4Å |
| 401 | D | 93.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -149.5 | 177.9 | 179.5 | 66.7 | 42.2 | 0 | 0 | 0 | 113.9 | F403 E404 M405 D577 N578 | D401-F403 VanDerWaalsContact C-N 3.33Å; D401-F403 PolarHBondContact O-N 3.04Å; D401-F403 WeakPolarHBondContact OD1-CA 3.37Å; D401-F403 WeakPolarHBondContact OD1-CB 3.27Å; D401-F403 PolarHBondContact OD1-N 3.16Å; D401-E404 PolarHBondContact OD1-N 2.82Å; D401-M405 VanDerWaalsContact O-CB 3.31Å; D401-M405 WeakPolarHBondContact O-CB 3.44Å; D401-M405 PolarHBondContact O-N 3.12Å; D401-D577 HydrophobicContact CB-CB 3.96Å; D401-N578 WeakPolarHBondContact OD2-CB 3.01Å; D401-N578 PolarHBondContact OD2-N 3.35Å; D401-N578 PolarHBondContact OD2-ND2 3.5Å |
| 402 | E | 94.6 | Very high | 95.3 | Very high | 111 Ų | 111 | 34.2 Ų | 34.2 | 52% | 0.519 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.8 | -27.1 | -177.3 | 63.6 | -178.4 | -177.2 | 0 | 0 | 113.7 | S406 | E402-S406 WeakPolarHBondContact O-CB 3.35Å; E402-S406 PolarHBondContact O-N 2.9Å |
| 403 | F | 95.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 19% | 0.193 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.3 | -45.7 | 179.1 | -57.9 | -78.5 | 0 | 0 | 0 | 110.3 | D401 M405 S406 K407 N578 L579 Q697 L700 | D401-F403 VanDerWaalsContact C-N 3.33Å; D401-F403 PolarHBondContact O-N 3.04Å; D401-F403 WeakPolarHBondContact OD1-CA 3.37Å; D401-F403 WeakPolarHBondContact OD1-CB 3.27Å; D401-F403 PolarHBondContact OD1-N 3.16Å; F403-M405 VanDerWaalsContact C-N 3.34Å; F403-S406 PolarHBondContact O-N 3.31Å; F403-K407 PolarHBondContact O-N 3.48Å; F403-N578 HydrophobicContact CD2-CB 3.64Å; F403-N578 HydrophobicContact CE2-CB 4.18Å; F403-N578 HydrophobicContact CG-CB 4.35Å; F403-L579 HydrophobicContact CE2-CD2 3.83Å; F403-L579 HydrophobicContact CE2-CG 4.29Å; F403-L579 HydrophobicContact CZ-CD2 4.34Å; F403-Q697 HydrophobicContact CB-CG 4.39Å; F403-Q697 HydrophobicContact CD1-CG 3.76Å; F403-Q697 HydrophobicContact CD2-CG 4.49Å; F403-Q697 HydrophobicContact CE1-CG 4.11Å; F403-Q697 HydrophobicContact CG-CG 3.97Å; F403-L700 HydrophobicContact CB-CD1 4.14Å; F403-L700 HydrophobicContact CB-CD2 3.68Å |
| 404 | E | 96.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 171.7 | -70 | -173 | 170.4 | 0 | 0 | 111.6 | V399 I400 D401 S406 K407 C408 L700 I701 | V399-E404 HydrophobicContact CB-CB 3.68Å; V399-E404 WeakPolarHBondContact CB-OE2 3.31Å; V399-E404 HydrophobicContact CG1-CB 3.9Å; V399-E404 HydrophobicContact CG2-CB 4.44Å; I400-E404 VanDerWaalsContact CG1-OE2 3.28Å; I400-E404 WeakPolarHBondContact CG1-OE2 3.4Å; I400-E404 PolarHBondContact N-OE2 3.29Å; D401-E404 PolarHBondContact OD1-N 2.82Å; E404-S406 PolarHBondContact O-N 2.02Å; E404-K407 PolarHBondContact O-N 3.39Å; E404-C408 VanDerWaalsContact O-CB 3.27Å; E404-C408 WeakPolarHBondContact O-CB 3.45Å; E404-C408 PolarHBondContact O-N 2.93Å; E404-L700 HydrophobicContact CG-CD2 3.98Å; E404-I701 HydrophobicContact CB-CG1 4.32Å; E404-I701 HydrophobicContact CG-CG1 4.48Å |
| 405 | M | 97.1 | Very high | 96.4 | Very high | 25 Ų | 25 | 27 Ų | 27 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 174.7 | 175.9 | 54.7 | 73.5 | 0 | 0 | 111.6 | V399 D401 F403 K407 C408 Q409 C426 Q428 | V399-M405 HydrophobicContact CG2-CB 3.92Å; V399-M405 HydrophobicContact CG2-CE 3.79Å; D401-M405 VanDerWaalsContact O-CB 3.31Å; D401-M405 WeakPolarHBondContact O-CB 3.44Å; D401-M405 PolarHBondContact O-N 3.12Å; F403-M405 VanDerWaalsContact C-N 3.34Å; M405-K407 PolarHBondContact O-N 3Å; M405-C408 PolarHBondContact O-N 3.45Å; M405-Q409 WeakPolarHBondContact O-CG 3.23Å; M405-Q409 PolarHBondContact O-N 3.3Å; M405-Q409 HydrophobicContact SD-CG 3.89Å; M405-Q409 PolarHBondContact SD-NE2 3.38Å; M405-C426 HydrophobicContact CE-CB 3.94Å; M405-C426 HydrophobicContact SD-CB 3.54Å; M405-C426 VanDerWaalsContact SD-CB 3.54Å; M405-Q428 HydrophobicContact CE-CB 3.53Å |
| 406 | S | 96.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 29.7 Ų | 29.7 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | E402 F403 E404 Q409 R410 | E402-S406 WeakPolarHBondContact O-CB 3.35Å; E402-S406 PolarHBondContact O-N 2.9Å; F403-S406 PolarHBondContact O-N 3.31Å; E404-S406 PolarHBondContact O-N 2.02Å; S406-Q409 PolarHBondContact O-N 2.8Å; S406-R410 WeakPolarHBondContact O-CG 3.41Å; S406-R410 PolarHBondContact O-N 3.42Å |
| 407 | K | 96.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.7 | -170.8 | 173.7 | 175.5 | 179.5 | 0 | 111.6 | F403 E404 M405 Q409 R410 M411 F688 M690 N692 L700 I701 | F403-K407 PolarHBondContact O-N 3.48Å; E404-K407 PolarHBondContact O-N 3.39Å; M405-K407 PolarHBondContact O-N 3Å; K407-Q409 PolarHBondContact O-N 3.09Å; K407-R410 PolarHBondContact O-N 2.78Å; K407-M411 PolarHBondContact O-N 3.47Å; K407-F688 HydrophobicContact CG-CE2 4.2Å; K407-M690 VanDerWaalsContact CE-O 3.31Å; K407-M690 WeakPolarHBondContact CE-O 3.37Å; K407-M690 PolarHBondContact NZ-O 3.18Å; K407-M690 VanDerWaalsContact NZ-O 3.13Å; K407-N692 WeakPolarHBondContact CE-O 3.34Å; K407-N692 PolarHBondContact NZ-O 3.34Å; K407-L700 HydrophobicContact CB-CB 4.43Å; K407-L700 HydrophobicContact CB-CD1 4.45Å; K407-L700 HydrophobicContact CD-CB 3.52Å; K407-L700 HydrophobicContact CD-CD1 4.4Å; K407-L700 VanDerWaalsContact CD-O 3.28Å; K407-L700 WeakPolarHBondContact CD-O 3.23Å; K407-L700 WeakPolarHBondContact CE-O 3.38Å; K407-L700 PolarHBondContact NZ-O 3.14Å; K407-I701 HydrophobicContact CB-CD1 4.06Å; K407-I701 HydrophobicContact CD-CD1 4.39Å; K407-I701 HydrophobicContact CG-CD1 4.06Å |
| 408 | C | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 179.1 | -178 | 0 | 0 | 0 | 0 | 111.7 | V399 E404 M405 R410 M411 S412 C426 I701 | V399-C408 HydrophobicContact CG1-CB 3.95Å; E404-C408 VanDerWaalsContact O-CB 3.27Å; E404-C408 WeakPolarHBondContact O-CB 3.45Å; E404-C408 PolarHBondContact O-N 2.93Å; M405-C408 PolarHBondContact O-N 3.45Å; C408-R410 VanDerWaalsContact C-N 3.3Å; C408-R410 PolarHBondContact O-N 2.96Å; C408-M411 WeakPolarHBondContact O-CB 3.3Å; C408-M411 PolarHBondContact O-N 2.9Å; C408-S412 WeakPolarHBondContact O-CB 3.46Å; C408-S412 PolarHBondContact O-N 3.29Å; C408-C426 HydrophobicContact CB-CB 3.85Å; C408-C426 WeakPolarHBondContact CB-SG 3.33Å; C408-C426 PolarHBondContact O-SG 3.25Å; C408-C426 VanDerWaalsContact O-SG 3.33Å; C408-C426 WeakPolarHBondContact SG-CB 3.41Å; C408-C426 CovalentContact SG-SG 2.03Å; C408-C426 PolarHBondContact SG-SG 3.24Å; C408-I701 HydrophobicContact CB-CD1 3.76Å |
| 409 | Q | 97.2 | Very high | 94.9 | Very high | 106 Ų | 106 | 44.2 Ų | 44.2 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.4 | -36.5 | 177.9 | -73.4 | 174 | -11.4 | 0 | 0 | 112.4 | M405 S406 K407 S413 C426 | M405-Q409 WeakPolarHBondContact O-CG 3.23Å; M405-Q409 PolarHBondContact O-N 3.3Å; M405-Q409 HydrophobicContact SD-CG 3.89Å; M405-Q409 PolarHBondContact SD-NE2 3.38Å; S406-Q409 PolarHBondContact O-N 2.8Å; K407-Q409 PolarHBondContact O-N 3.09Å; Q409-S413 WeakPolarHBondContact O-CB 3.11Å; Q409-S413 PolarHBondContact O-N 3.42Å; Q409-S413 PolarHBondContact O-OG 2.73Å; Q409-C426 PolarHBondContact N-SG 3.44Å |
| 410 | R | 95.5 | Very high | 94.7 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 173.4 | -68.4 | -171.5 | -63.3 | 163.3 | -2.8 | 112 | S406 K407 C408 S412 S413 A414 F688 E694 | S406-R410 WeakPolarHBondContact O-CG 3.41Å; S406-R410 PolarHBondContact O-N 3.42Å; K407-R410 PolarHBondContact O-N 2.78Å; C408-R410 VanDerWaalsContact C-N 3.3Å; C408-R410 PolarHBondContact O-N 2.96Å; R410-S412 PolarHBondContact O-N 3Å; R410-S413 PolarHBondContact O-N 3.32Å; R410-A414 VanDerWaalsContact O-CB 3.31Å; R410-A414 WeakPolarHBondContact O-CB 3.28Å; R410-A414 PolarHBondContact O-N 3.38Å; R410-F688 HydrophobicContact CB-CD2 4.09Å; R410-F688 HydrophobicContact CB-CE2 4.28Å; R410-E694 IonicContact CZ-OE1 2.95Å; R410-E694 IonicContact CZ-OE2 2.65Å; R410-E694 IonicContact NH1-OE1 3.49Å; R410-E694 PolarHBondContact NH1-OE1 3.42Å; R410-E694 IonicContact NH1-OE2 3.08Å; R410-E694 PolarHBondContact NH1-OE2 3.31Å; R410-E694 IonicContact NH2-OE1 3.61Å; R410-E694 PolarHBondContact NH2-OE1 2.82Å; R410-E694 IonicContact NH2-OE2 3.66Å; R410-E694 PolarHBondContact NH2-OE2 3.29Å |
| 411 | M | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 173.1 | -168.4 | 171.6 | 68.3 | 0 | 0 | 111.3 | W397 K407 C408 S413 A414 F415 M424 F688 I701 F702 | W397-M411 HydrophobicContact CD2-CE 4.19Å; W397-M411 HydrophobicContact CE3-CE 4.3Å; K407-M411 PolarHBondContact O-N 3.47Å; C408-M411 WeakPolarHBondContact O-CB 3.3Å; C408-M411 PolarHBondContact O-N 2.9Å; M411-S413 PolarHBondContact O-N 2.9Å; M411-A414 PolarHBondContact O-N 2.84Å; M411-F415 HydrophobicContact CG-CD1 4.34Å; M411-F415 HydrophobicContact CG-CE1 3.8Å; M411-F415 HydrophobicContact CG-CE2 4.08Å; M411-F415 HydrophobicContact CG-CZ 3.65Å; M411-F415 WeakPolarHBondContact O-CB 3.14Å; M411-F415 WeakPolarHBondContact O-CD1 3.43Å; M411-F415 WeakPolarHBondContact O-CG 3.3Å; M411-F415 PolarHBondContact O-N 3.25Å; M411-F415 HydrophobicContact SD-CZ 4.16Å; M411-M424 HydrophobicContact CB-CE 4.03Å; M411-M424 HydrophobicContact CE-CE 3.54Å; M411-M424 HydrophobicContact CE-SD 3.73Å; M411-M424 HydrophobicContact CG-CE 3.85Å; M411-M424 HydrophobicContact SD-CE 4.46Å; M411-F688 HydrophobicContact CB-CE1 3.88Å; M411-F688 HydrophobicContact CB-CE2 4.04Å; M411-F688 HydrophobicContact CB-CZ 3.47Å; M411-F688 VanDerWaalsContact CB-CZ 3.47Å; M411-F688 HydrophobicContact CG-CE1 3.68Å; M411-F688 HydrophobicContact CG-CZ 3.68Å; M411-F688 HydrophobicContact SD-CE1 4.48Å; M411-F688 HydrophobicContact SD-CZ 4.28Å; M411-I701 HydrophobicContact CE-CD1 4.33Å; M411-F702 HydrophobicContact SD-CE2 4.28Å |
| 412 | S | 97 | Very high | 94.5 | Very high | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | C408 R410 F415 S416 M424 | C408-S412 WeakPolarHBondContact O-CB 3.46Å; C408-S412 PolarHBondContact O-N 3.29Å; R410-S412 PolarHBondContact O-N 3Å; S412-F415 PolarHBondContact O-N 2.98Å; S412-S416 WeakPolarHBondContact O-CB 3.14Å; S412-S416 PolarHBondContact O-N 3.14Å; S412-M424 VanDerWaalsContact CA-CE 3.41Å; S412-M424 VanDerWaalsContact N-CE 3.31Å; S412-M424 PolarHBondContact OG-O 2.88Å |
| 413 | S | 96.2 | Very high | 94.5 | Very high | 78 Ų | 78 | 44.2 Ų | 44.2 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 178.9 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | Q409 R410 M411 S416 A417 | Q409-S413 WeakPolarHBondContact O-CB 3.11Å; Q409-S413 PolarHBondContact O-N 3.42Å; Q409-S413 PolarHBondContact O-OG 2.73Å; R410-S413 PolarHBondContact O-N 3.32Å; M411-S413 PolarHBondContact O-N 2.9Å; S413-S416 PolarHBondContact O-N 3.31Å; S413-A417 WeakPolarHBondContact O-CB 3.18Å; S413-A417 PolarHBondContact O-N 3.35Å |
| 414 | A | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | R410 M411 S416 A417 K418 Y680 F688 | R410-A414 VanDerWaalsContact O-CB 3.31Å; R410-A414 WeakPolarHBondContact O-CB 3.28Å; R410-A414 PolarHBondContact O-N 3.38Å; M411-A414 PolarHBondContact O-N 2.84Å; A414-S416 PolarHBondContact O-N 3.35Å; A414-A417 WeakPolarHBondContact O-CB 3.31Å; A414-A417 PolarHBondContact O-N 2.92Å; A414-K418 PolarHBondContact O-N 3.45Å; A414-Y680 HydrophobicContact CB-CD2 4.43Å; A414-Y680 HydrophobicContact CB-CE1 4.2Å; A414-Y680 HydrophobicContact CB-CE2 3.84Å; A414-Y680 PolarHBondContact O-OH 2.76Å; A414-F688 HydrophobicContact CB-CB 3.71Å; A414-F688 HydrophobicContact CB-CD1 4.02Å; A414-F688 HydrophobicContact CB-CG 3.96Å |
| 415 | F | 95.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.4 | -72.3 | 12.1 | 0 | 0 | 0 | 111.5 | M411 S412 A417 K418 R419 I420 M424 L672 G676 Y680 | M411-F415 HydrophobicContact CG-CD1 4.34Å; M411-F415 HydrophobicContact CG-CE1 3.8Å; M411-F415 HydrophobicContact CG-CE2 4.08Å; M411-F415 HydrophobicContact CG-CZ 3.65Å; M411-F415 WeakPolarHBondContact O-CB 3.14Å; M411-F415 WeakPolarHBondContact O-CD1 3.43Å; M411-F415 WeakPolarHBondContact O-CG 3.3Å; M411-F415 PolarHBondContact O-N 3.25Å; M411-F415 HydrophobicContact SD-CZ 4.16Å; S412-F415 PolarHBondContact O-N 2.98Å; F415-A417 VanDerWaalsContact C-N 3.34Å; F415-A417 PolarHBondContact O-N 2.99Å; F415-K418 CarbonylContact O-C 3.6Å; F415-K418 PolarHBondContact O-N 2.89Å; F415-R419 PolarHBondContact O-N 3.41Å; F415-R419 VanDerWaalsContact O-N 3.14Å; F415-I420 HydrophobicContact CB-CB 4.25Å; F415-I420 HydrophobicContact CB-CD1 4.07Å; F415-I420 HydrophobicContact CD1-CD1 4Å; F415-I420 HydrophobicContact CG-CD1 3.98Å; F415-I420 PolarHBondContact O-N 3.26Å; F415-M424 HydrophobicContact CD2-CE 4.1Å; F415-M424 HydrophobicContact CE2-CE 4.32Å; F415-L672 HydrophobicContact CD2-CD1 3.86Å; F415-L672 HydrophobicContact CD2-CG 4.13Å; F415-L672 HydrophobicContact CE2-CD1 4.36Å; F415-L672 HydrophobicContact CE2-CG 4.15Å; F415-G676 VanDerWaalsContact CZ-CA 3.42Å; F415-Y680 HydrophobicContact CD1-CD2 4.01Å; F415-Y680 HydrophobicContact CD1-CE2 4.03Å; F415-Y680 AromaticContact CE1-CD2 3.95Å; F415-Y680 HydrophobicContact CE1-CD2 3.95Å; F415-Y680 HydrophobicContact CE1-CE2 4.44Å |
| 416 | S | 93.2 | Very high | 94.5 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | S412 S413 A414 K418 R419 | S412-S416 WeakPolarHBondContact O-CB 3.14Å; S412-S416 PolarHBondContact O-N 3.14Å; S413-S416 PolarHBondContact O-N 3.31Å; A414-S416 PolarHBondContact O-N 3.35Å; S416-K418 PolarHBondContact O-N 3.29Å; S416-R419 WeakPolarHBondContact O-CA 3.29Å; S416-R419 PolarHBondContact O-N 2.75Å |
| 417 | A | 91 | Very high | 94.6 | Very high | 80 Ų | 80 | 45.3 Ų | 45.3 | 66% | 0.661 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.7 | -29.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | S413 A414 F415 R419 | S413-A417 WeakPolarHBondContact O-CB 3.18Å; S413-A417 PolarHBondContact O-N 3.35Å; A414-A417 WeakPolarHBondContact O-CB 3.31Å; A414-A417 PolarHBondContact O-N 2.92Å; F415-A417 VanDerWaalsContact C-N 3.34Å; F415-A417 PolarHBondContact O-N 2.99Å; A417-R419 VanDerWaalsContact C-N 3.34Å |
| 418 | K | 88 | Confident | 94.7 | Very high | 107 Ų | 107 | 50 Ų | 50 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 5.7 | 171.8 | -67.4 | -69.1 | -173.3 | 175.9 | 0 | 113.6 | A414 F415 S416 I420 Y679 Y680 | A414-K418 PolarHBondContact O-N 3.45Å; F415-K418 CarbonylContact O-C 3.6Å; F415-K418 PolarHBondContact O-N 2.89Å; S416-K418 PolarHBondContact O-N 3.29Å; K418-I420 HydrophobicContact CB-CD1 4.15Å; K418-I420 HydrophobicContact CB-CG1 3.86Å; K418-I420 PolarHBondContact O-N 3.21Å; K418-Y679 HydrophobicContact CB-CD2 4.3Å; K418-Y679 HydrophobicContact CB-CE2 4.41Å; K418-Y679 HydrophobicContact CD-CD1 4.32Å; K418-Y679 HydrophobicContact CD-CE1 4.49Å; K418-Y679 HydrophobicContact CD-CG 4.39Å; K418-Y679 HydrophobicContact CG-CD2 4.26Å; K418-Y679 HydrophobicContact CG-CG 4.28Å; K418-Y680 HydrophobicContact CG-CE2 4.14Å; K418-Y680 WeakPolarHBondContact CG-OH 3.26Å |
| 419 | R | 88.5 | Confident | 94.6 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 31.7 | -177 | -54 | -175.8 | -171 | 163.5 | 9.9 | 113.6 | Y86 Y373 E388 F415 S416 A417 Q421 | Y86-R419 PolarHBondContact OH-NH1 3.28Å; Y373-R419 PolarHBondContact OH-NH2 3.07Å; E388-R419 IonicContact OE2-NH1 2.8Å; E388-R419 PolarHBondContact OE2-NH1 3.47Å; F415-R419 PolarHBondContact O-N 3.41Å; F415-R419 VanDerWaalsContact O-N 3.14Å; S416-R419 WeakPolarHBondContact O-CA 3.29Å; S416-R419 PolarHBondContact O-N 2.75Å; A417-R419 VanDerWaalsContact C-N 3.34Å; R419-Q421 PolarHBondContact O-N 3.18Å |
| 420 | I | 92.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | trans | -70.4 | 128 | 175.4 | -48.9 | 172.7 | 0 | 0 | 0 | 108.1 | F415 K418 L672 Y675 Y679 | F415-I420 HydrophobicContact CB-CB 4.25Å; F415-I420 HydrophobicContact CB-CD1 4.07Å; F415-I420 HydrophobicContact CD1-CD1 4Å; F415-I420 HydrophobicContact CG-CD1 3.98Å; F415-I420 PolarHBondContact O-N 3.26Å; K418-I420 HydrophobicContact CB-CD1 4.15Å; K418-I420 HydrophobicContact CB-CG1 3.86Å; K418-I420 PolarHBondContact O-N 3.21Å; I420-L672 HydrophobicContact CB-CD1 4.44Å; I420-L672 HydrophobicContact CG2-CD1 3.68Å; I420-Y675 HydrophobicContact CG2-CG 4.38Å; I420-Y679 HydrophobicContact CD1-CD2 3.94Å; I420-Y679 HydrophobicContact CD1-CE2 4.39Å; I420-Y679 HydrophobicContact CG1-CD2 4.5Å; I420-Y679 HydrophobicContact CG1-CE2 4.49Å | ||
| 421 | Q | 91.9 | Very high | 94.3 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -108.8 | 155.6 | -179.7 | -66.3 | -63.9 | -49 | 0 | 0 | 111.9 | C167 N168 C390 R419 D423 | C167-Q421 HydrophobicContact CB-CB 3.88Å; N168-Q421 PolarHBondContact ND2-O 3.12Å; N168-Q421 WeakPolarHBondContact OD1-CB 3.15Å; N168-Q421 PolarHBondContact OD1-N 3.46Å; C390-Q421 HydrophobicContact CB-CB 3.56Å; C390-Q421 HydrophobicContact CB-CG 3.84Å; R419-Q421 PolarHBondContact O-N 3.18Å; Q421-D423 PolarHBondContact NE2-OD1 3.19Å; Q421-D423 VanDerWaalsContact NE2-OD1 3.08Å |
| 422 | P | 93.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | S | Bend | cis | -68.1 | 158.8 | -10.1 | 31.8 | -36.2 | 0 | 0 | 0 | 111.4 | P393 L395 L672 | P393-P422 WeakPolarHBondContact O-CB 3.48Å; L395-P422 HydrophobicContact CB-CG 4.23Å; P422-L672 WeakPolarHBondContact O-CD1 3.08Å |
| 423 | D | 93.7 | Very high | 94 | Very high | 72 Ų | 72 | 49.4 Ų | 49.4 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | trans | -58.2 | 143.1 | 172.4 | -64.9 | -30.1 | 0 | 0 | 0 | 110.6 | T394 L395 Q421 | T394-D423 CarbonylContact C-O 3.24Å; T394-D423 WeakPolarHBondContact CA-O 3.33Å; T394-D423 WeakPolarHBondContact CB-O 3.19Å; T394-D423 HydrophobicContact CG2-CB 4.13Å; L395-D423 PolarHBondContact N-O 3.3Å; Q421-D423 PolarHBondContact NE2-OD1 3.19Å; Q421-D423 VanDerWaalsContact NE2-OD1 3.08Å | ||
| 424 | M | 95.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.4 | -178.2 | -179.5 | 179 | 62 | 0 | 0 | 110.8 | L395 W397 M411 S412 F415 L672 | L395-M424 HydrophobicContact CD2-CG 4.03Å; L395-M424 HydrophobicContact CD2-SD 4.33Å; L395-M424 CarbonylContact O-C 3.58Å; L395-M424 VanDerWaalsContact O-CA 3.3Å; L395-M424 WeakPolarHBondContact O-CA 3.45Å; W397-M424 HydrophobicContact CB-CG 4.41Å; W397-M424 HydrophobicContact CB-SD 4.18Å; W397-M424 HydrophobicContact CE3-SD 4.18Å; M411-M424 HydrophobicContact CB-CE 4.03Å; M411-M424 HydrophobicContact CE-CE 3.54Å; M411-M424 HydrophobicContact CE-SD 3.73Å; M411-M424 HydrophobicContact CG-CE 3.85Å; M411-M424 HydrophobicContact SD-CE 4.46Å; S412-M424 VanDerWaalsContact CA-CE 3.41Å; S412-M424 VanDerWaalsContact N-CE 3.31Å; S412-M424 PolarHBondContact OG-O 2.88Å; F415-M424 HydrophobicContact CD2-CE 4.1Å; F415-M424 HydrophobicContact CE2-CE 4.32Å; M424-L672 HydrophobicContact CB-CD2 4.36Å; M424-L672 HydrophobicContact SD-CD2 4.46Å |
| 425 | F | 96.8 | Very high | 94 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 36% | 0.36 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 157.6 | 170.3 | 74 | -81.9 | 0 | 0 | 0 | 111 | L395 G396 W397 L427 | L395-F425 VanDerWaalsContact O-CD1 3.31Å; L395-F425 WeakPolarHBondContact O-CD1 3.27Å; L395-F425 PolarHBondContact O-N 2.81Å; G396-F425 VanDerWaalsContact CA-CZ 3.45Å; G396-F425 WeakPolarHBondContact CA-O 3.48Å; G396-F425 VanDerWaalsContact N-CE1 3.34Å; W397-F425 PolarHBondContact N-O 3.21Å; F425-L427 HydrophobicContact CD2-CD1 3.86Å; F425-L427 HydrophobicContact CD2-CG 4.02Å; F425-L427 HydrophobicContact CE2-CD1 3.25Å; F425-L427 HydrophobicContact CE2-CD2 3.87Å; F425-L427 HydrophobicContact CE2-CG 3.53Å; F425-L427 HydrophobicContact CZ-CD1 3.82Å; F425-L427 HydrophobicContact CZ-CG 4.48Å |
| 426 | C | 98.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.9 | -175.3 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | W397 M405 C408 Q409 | W397-C426 CarbonylContact O-C 3.55Å; W397-C426 WeakPolarHBondContact O-CA 3.44Å; M405-C426 HydrophobicContact CE-CB 3.94Å; M405-C426 HydrophobicContact SD-CB 3.54Å; M405-C426 VanDerWaalsContact SD-CB 3.54Å; C408-C426 HydrophobicContact CB-CB 3.85Å; C408-C426 WeakPolarHBondContact CB-SG 3.33Å; C408-C426 PolarHBondContact O-SG 3.25Å; C408-C426 VanDerWaalsContact O-SG 3.33Å; C408-C426 WeakPolarHBondContact SG-CB 3.41Å; C408-C426 CovalentContact SG-SG 2.03Å; C408-C426 PolarHBondContact SG-SG 3.24Å; Q409-C426 PolarHBondContact N-SG 3.44Å |
| 427 | L | 98 | Very high | 94.3 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.4 | 172.9 | -55.2 | 103.3 | 0 | 0 | 0 | 110.3 | W397 C398 V399 F425 A444 | W397-L427 PolarHBondContact O-N 3.21Å; C398-L427 CarbonylContact C-O 3.57Å; C398-L427 WeakPolarHBondContact CA-O 3.07Å; V399-L427 WeakPolarHBondContact CG2-O 3.37Å; V399-L427 PolarHBondContact N-O 2.9Å; F425-L427 HydrophobicContact CD2-CD1 3.86Å; F425-L427 HydrophobicContact CD2-CG 4.02Å; F425-L427 HydrophobicContact CE2-CD1 3.25Å; F425-L427 HydrophobicContact CE2-CD2 3.87Å; F425-L427 HydrophobicContact CE2-CG 3.53Å; F425-L427 HydrophobicContact CZ-CD1 3.82Å; F425-L427 HydrophobicContact CZ-CG 4.48Å; L427-A444 HydrophobicContact CD1-CB 3.92Å |
| 428 | Q | 97.7 | Very high | 94.6 | Very high | 103 Ų | 103 | 47 Ų | 47 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.6 | 173.3 | -170.4 | 175.9 | -26.1 | 0 | 0 | 110.2 | V399 M405 | V399-Q428 HydrophobicContact CG2-CB 4.17Å; V399-Q428 HydrophobicContact CG2-CG 4.4Å; V399-Q428 WeakPolarHBondContact O-CA 3.36Å; M405-Q428 HydrophobicContact CE-CB 3.53Å |
| 429 | A | 96.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 42 Ų | 42 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | trans | -101.6 | 169.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V399 D434 C435 L438 | V399-A429 PolarHBondContact O-N 3.41Å; A429-D434 HydrophobicContact CB-CB 4.01Å; A429-C435 HydrophobicContact CB-CB 4.44Å; A429-C435 VanDerWaalsContact CB-SG 3.53Å; A429-L438 HydrophobicContact CB-CD1 4.08Å | ||
| 430 | N | 92.4 | Very high | 95.6 | Very high | 140 Ų | 140 | 39.9 Ų | 39.9 | 75% | 0.749 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -83.2 | -15.3 | 178.3 | -66.3 | -35.7 | 0 | 0 | 0 | 113.5 | ||
| 431 | S | 92.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -163 | 160.7 | -177.7 | 68 | 0 | 0 | 0 | 0 | 111.1 | I433 D434 C435 | S431-I433 PolarHBondContact O-N 3.24Å; S431-D434 PolarHBondContact O-N 2.87Å; S431-D434 PolarHBondContact OG-N 2.88Å; S431-D434 VanDerWaalsContact OG-N 3.16Å; S431-D434 PolarHBondContact OG-OD2 3.45Å; S431-C435 PolarHBondContact O-N 2.92Å |
| 432 | T | 94 | Very high | 95.9 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.8 | -38.8 | 173.3 | -40.3 | 0 | 0 | 0 | 0 | 111.9 | D434 C435 M436 L449 D453 | T432-D434 VanDerWaalsContact C-N 3.32Å; T432-D434 PolarHBondContact O-N 2.91Å; T432-C435 WeakPolarHBondContact O-CB 3.38Å; T432-C435 PolarHBondContact O-N 2.99Å; T432-M436 HydrophobicContact CG2-CE 3.84Å; T432-M436 WeakPolarHBondContact O-CG 3.3Å; T432-M436 PolarHBondContact O-N 3.34Å; T432-L449 HydrophobicContact CG2-CD2 3.18Å; T432-D453 HydrophobicContact CG2-CB 4.35Å |
| 433 | I | 93.5 | Very high | 96.1 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 176.2 | -69.8 | 169.5 | 0 | 0 | 0 | 111.6 | S431 M436 K437 F461 A551 Y552 | S431-I433 PolarHBondContact O-N 3.24Å; I433-M436 WeakPolarHBondContact O-CB 3.21Å; I433-M436 PolarHBondContact O-N 2.94Å; I433-K437 WeakPolarHBondContact O-CG 3.44Å; I433-K437 PolarHBondContact O-N 3.36Å; I433-K437 VanDerWaalsContact O-N 3.09Å; I433-F461 HydrophobicContact CG2-CE2 4.47Å; I433-F461 HydrophobicContact CG2-CZ 3.98Å; I433-A551 HydrophobicContact CD1-CB 4.23Å; I433-Y552 HydrophobicContact CD1-CD1 4.09Å; I433-Y552 HydrophobicContact CD1-CE1 3.5Å; I433-Y552 HydrophobicContact CG1-CE1 4.34Å |
| 434 | D | 94.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.5 | -35.3 | 177.2 | -64.4 | -36 | 0 | 0 | 0 | 111.5 | A429 S431 T432 M436 K437 L438 | A429-D434 HydrophobicContact CB-CB 4.01Å; S431-D434 PolarHBondContact O-N 2.87Å; S431-D434 PolarHBondContact OG-N 2.88Å; S431-D434 VanDerWaalsContact OG-N 3.16Å; S431-D434 PolarHBondContact OG-OD2 3.45Å; T432-D434 VanDerWaalsContact C-N 3.32Å; T432-D434 PolarHBondContact O-N 2.91Å; D434-M436 VanDerWaalsContact C-N 3.33Å; D434-M436 PolarHBondContact O-N 2.78Å; D434-K437 WeakPolarHBondContact O-CB 3.37Å; D434-K437 PolarHBondContact O-N 3.04Å; D434-K437 IonicContact OD1-NZ 3.62Å; D434-K437 PolarHBondContact OD1-NZ 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.27Å; D434-L438 PolarHBondContact O-N 2.84Å |
| 435 | C | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 167.5 | -81 | 0 | 0 | 0 | 0 | 111.9 | C398 A429 S431 T432 K437 L438 I439 V447 | C398-C435 HydrophobicContact CB-CB 3.75Å; C398-C435 WeakPolarHBondContact CB-SG 3.1Å; C398-C435 WeakPolarHBondContact SG-CA 3.42Å; C398-C435 WeakPolarHBondContact SG-CB 3.15Å; C398-C435 CovalentContact SG-SG 2.04Å; C398-C435 PolarHBondContact SG-SG 3.1Å; A429-C435 HydrophobicContact CB-CB 4.44Å; A429-C435 VanDerWaalsContact CB-SG 3.53Å; S431-C435 PolarHBondContact O-N 2.92Å; T432-C435 WeakPolarHBondContact O-CB 3.38Å; T432-C435 PolarHBondContact O-N 2.99Å; C435-K437 VanDerWaalsContact C-N 3.29Å; C435-K437 PolarHBondContact O-N 3.43Å; C435-L438 PolarHBondContact O-N 2.77Å; C435-I439 WeakPolarHBondContact O-CG1 3.49Å; C435-I439 PolarHBondContact O-N 3.31Å; C435-V447 HydrophobicContact CB-CB 4.33Å; C435-V447 HydrophobicContact CB-CG1 4.48Å; C435-V447 HydrophobicContact CB-CG2 4.01Å |
| 436 | M | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -39.5 | 176.9 | -63.2 | 170.4 | -164.2 | 0 | 0 | 112.3 | T432 I433 D434 K440 L449 D453 I456 A457 F461 L463 | T432-M436 HydrophobicContact CG2-CE 3.84Å; T432-M436 WeakPolarHBondContact O-CG 3.3Å; T432-M436 PolarHBondContact O-N 3.34Å; I433-M436 WeakPolarHBondContact O-CB 3.21Å; I433-M436 PolarHBondContact O-N 2.94Å; D434-M436 VanDerWaalsContact C-N 3.33Å; D434-M436 PolarHBondContact O-N 2.78Å; M436-K440 WeakPolarHBondContact O-CB 3.33Å; M436-K440 PolarHBondContact O-N 3.15Å; M436-L449 HydrophobicContact CE-CD1 3.92Å; M436-L449 HydrophobicContact CE-CD2 3.89Å; M436-L449 HydrophobicContact CG-CD1 4.44Å; M436-D453 HydrophobicContact CE-CB 3.71Å; M436-D453 WeakPolarHBondContact CE-O 3.33Å; M436-I456 HydrophobicContact SD-CG2 4.07Å; M436-A457 HydrophobicContact CE-CB 4.14Å; M436-A457 HydrophobicContact CG-CB 4.16Å; M436-A457 HydrophobicContact SD-CB 3.86Å; M436-F461 HydrophobicContact CB-CB 4.18Å; M436-F461 HydrophobicContact CB-CD1 4.14Å; M436-F461 HydrophobicContact CB-CD2 3.8Å; M436-F461 HydrophobicContact CB-CE2 4.2Å; M436-F461 HydrophobicContact CB-CG 3.76Å; M436-F461 HydrophobicContact CG-CD2 4.37Å; M436-F461 HydrophobicContact SD-CD2 3.74Å; M436-F461 HydrophobicContact SD-CE2 3.9Å; M436-L463 HydrophobicContact CB-CD1 3.8Å; M436-L463 HydrophobicContact CG-CD1 3.95Å |
| 437 | K | 96.5 | Very high | 96.5 | Very high | 86 Ų | 86 | 44 Ų | 44 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64 | -48.5 | 174.3 | -69.6 | 168.6 | -163.7 | 156.6 | 0 | 111.7 | I433 D434 C435 I439 K440 D441 F461 | I433-K437 WeakPolarHBondContact O-CG 3.44Å; I433-K437 PolarHBondContact O-N 3.36Å; I433-K437 VanDerWaalsContact O-N 3.09Å; D434-K437 WeakPolarHBondContact O-CB 3.37Å; D434-K437 PolarHBondContact O-N 3.04Å; D434-K437 IonicContact OD1-NZ 3.62Å; D434-K437 PolarHBondContact OD1-NZ 3.31Å; C435-K437 VanDerWaalsContact C-N 3.29Å; C435-K437 PolarHBondContact O-N 3.43Å; K437-I439 PolarHBondContact O-N 3.05Å; K437-K440 PolarHBondContact O-N 2.72Å; K437-D441 WeakPolarHBondContact O-CB 3.36Å; K437-D441 VanDerWaalsContact O-CG 3.29Å; K437-D441 PolarHBondContact O-N 2.8Å; K437-F461 HydrophobicContact CB-CE1 4.5Å; K437-F461 HydrophobicContact CG-CD1 4.16Å; K437-F461 HydrophobicContact CG-CE1 3.46Å; K437-F461 VanDerWaalsContact CG-CE1 3.46Å; K437-F461 HydrophobicContact CG-CZ 4.21Å |
| 438 | L | 98.2 | Very high | 96.5 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.5 | -38.1 | 179.9 | -69.5 | 173.6 | 0 | 0 | 0 | 111.7 | A429 D434 C435 G442 Y443 A444 | A429-L438 HydrophobicContact CB-CD1 4.08Å; D434-L438 WeakPolarHBondContact O-CG 3.27Å; D434-L438 PolarHBondContact O-N 2.84Å; C435-L438 PolarHBondContact O-N 2.77Å; L438-G442 PolarHBondContact O-N 2.91Å; L438-G442 VanDerWaalsContact O-N 3.09Å; L438-Y443 HydrophobicContact CD2-CD2 4.13Å; L438-Y443 HydrophobicContact CD2-CG 4.29Å; L438-Y443 PolarHBondContact O-N 3.34Å; L438-A444 HydrophobicContact CB-CB 4.06Å; L438-A444 PolarHBondContact O-N 2.95Å |
| 439 | I | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.3 | -46.4 | 176.3 | -64.7 | 170.7 | 0 | 0 | 0 | 111.4 | C435 K437 D441 G442 A444 V447 L463 A658 Y660 | C435-I439 WeakPolarHBondContact O-CG1 3.49Å; C435-I439 PolarHBondContact O-N 3.31Å; K437-I439 PolarHBondContact O-N 3.05Å; I439-D441 PolarHBondContact O-N 2.79Å; I439-G442 PolarHBondContact O-N 3.3Å; I439-G442 VanDerWaalsContact O-N 3.08Å; I439-A444 WeakPolarHBondContact CA-O 3.49Å; I439-A444 HydrophobicContact CG1-CB 3.77Å; I439-V447 HydrophobicContact CD1-CB 3.76Å; I439-V447 HydrophobicContact CD1-CG1 3.32Å; I439-L463 HydrophobicContact CB-CD1 4.38Å; I439-L463 HydrophobicContact CB-CD2 4.2Å; I439-L463 HydrophobicContact CG2-CD1 4.39Å; I439-L463 HydrophobicContact CG2-CD2 3.64Å; I439-A658 HydrophobicContact CG2-CB 4.08Å; I439-Y660 PolarHBondContact O-OH 2.97Å |
| 440 | K | 97.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.8 | -40 | 175.9 | 179.7 | -176.5 | -173.2 | 170.3 | 0 | 112.4 | M436 K437 G442 Y460 F461 L463 | M436-K440 WeakPolarHBondContact O-CB 3.33Å; M436-K440 PolarHBondContact O-N 3.15Å; K437-K440 PolarHBondContact O-N 2.72Å; K440-G442 VanDerWaalsContact C-N 3.29Å; K440-Y460 PolarHBondContact NZ-O 3Å; K440-F461 HydrophobicContact CD-CB 4.35Å; K440-F461 HydrophobicContact CD-CD1 4.02Å; K440-F461 WeakPolarHBondContact CG-O 3.42Å; K440-L463 HydrophobicContact CB-CD2 4.47Å |
| 441 | D | 96.4 | Very high | 96.7 | Very high | 105 Ų | 105 | 32 Ų | 32 | 56% | 0.561 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.8 | -178.3 | -64.2 | -18 | 0 | 0 | 0 | 112.5 | K437 I439 Y443 | K437-D441 WeakPolarHBondContact O-CB 3.36Å; K437-D441 VanDerWaalsContact O-CG 3.29Å; K437-D441 PolarHBondContact O-N 2.8Å; I439-D441 PolarHBondContact O-N 2.79Å; D441-Y443 HydrophobicContact CB-CD2 3.73Å; D441-Y443 HydrophobicContact CB-CE2 3.91Å |
| 442 | G | 95.8 | Very high | 96.8 | Very high | 40 Ų | 40 | 31.4 Ų | 31.4 | 41% | 0.412 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 16.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | L438 I439 K440 Y660 | L438-G442 PolarHBondContact O-N 2.91Å; L438-G442 VanDerWaalsContact O-N 3.09Å; I439-G442 PolarHBondContact O-N 3.3Å; I439-G442 VanDerWaalsContact O-N 3.08Å; K440-G442 VanDerWaalsContact C-N 3.29Å; G442-Y660 VanDerWaalsContact CA-OH 3.29Å; G442-Y660 WeakPolarHBondContact CA-OH 3.49Å |
| 443 | Y | 96.4 | Very high | 96.9 | Very high | 160 Ų | 160 | 31.3 Ų | 31.3 | 63% | 0.627 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -84.4 | -21.1 | 173.5 | -67.8 | -67.8 | 0 | 0 | 0 | 113.5 | L438 D441 | L438-Y443 HydrophobicContact CD2-CD2 4.13Å; L438-Y443 HydrophobicContact CD2-CG 4.29Å; L438-Y443 PolarHBondContact O-N 3.34Å; D441-Y443 HydrophobicContact CB-CD2 3.73Å; D441-Y443 HydrophobicContact CB-CE2 3.91Å |
| 444 | A | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -133.3 | 165.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | C398 L427 L438 I439 | C398-A444 HydrophobicContact CB-CB 3.99Å; L427-A444 HydrophobicContact CD1-CB 3.92Å; L438-A444 HydrophobicContact CB-CB 4.06Å; L438-A444 PolarHBondContact O-N 2.95Å; I439-A444 WeakPolarHBondContact CA-O 3.49Å; I439-A444 HydrophobicContact CG1-CB 3.77Å | ||
| 445 | D | 98 | Very high | 97.1 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 11% | 0.112 | 14% | 0.143 | C | C | . | . | trans | -115 | -36.2 | -177.3 | -65.2 | -68.5 | 0 | 0 | 0 | 112.6 | L395 G396 T657 K661 M669 | L395-D445 HydrophobicContact CG-CB 4.29Å; G396-D445 PolarHBondContact N-OD2 3.19Å; G396-D445 PolarHBondContact O-N 3.22Å; D445-T657 WeakPolarHBondContact O-CA 3.31Å; D445-T657 VanDerWaalsContact O-CB 3.23Å; D445-T657 WeakPolarHBondContact O-CB 3.28Å; D445-T657 PolarHBondContact O-OG1 2.69Å; D445-K661 WeakPolarHBondContact OD1-CE 3.48Å; D445-K661 IonicContact OD1-NZ 3.64Å; D445-K661 PolarHBondContact OD1-NZ 3.32Å; D445-M669 HydrophobicContact CB-CE 4Å | ||
| 446 | M | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -140.6 | 148.9 | -170.9 | -65 | 175 | 79.6 | 0 | 0 | 112.9 | L395 G396 W397 C398 V655 V656 M669 L673 | L395-M446 HydrophobicContact CD1-SD 3.62Å; L395-M446 HydrophobicContact CD2-CG 4.42Å; L395-M446 HydrophobicContact CD2-SD 3.77Å; L395-M446 HydrophobicContact CG-SD 4.07Å; G396-M446 PolarHBondContact O-N 3.39Å; G396-M446 VanDerWaalsContact O-N 3.1Å; W397-M446 HydrophobicContact CD2-CB 4.37Å; W397-M446 HydrophobicContact CE3-CB 3.89Å; W397-M446 HydrophobicContact CE3-SD 4.36Å; W397-M446 HydrophobicContact CH2-CE 4.45Å; W397-M446 HydrophobicContact CZ3-CB 4.08Å; W397-M446 HydrophobicContact CZ3-CE 3.82Å; W397-M446 HydrophobicContact CZ3-SD 4.12Å; C398-M446 PolarHBondContact N-O 2.85Å; M446-V655 HydrophobicContact CB-CG1 3.91Å; M446-V655 HydrophobicContact CE-CB 4.2Å; M446-V655 HydrophobicContact CE-CG1 3.36Å; M446-V655 HydrophobicContact CG-CG1 4.31Å; M446-V656 WeakPolarHBondContact CA-O 3.28Å; M446-M669 HydrophobicContact CE-CB 3.85Å; M446-M669 HydrophobicContact CE-CG 4.49Å; M446-M669 HydrophobicContact CG-CG 4.33Å; M446-M669 HydrophobicContact CG-SD 4.03Å; M446-M669 HydrophobicContact SD-CB 3.57Å; M446-M669 VanDerWaalsContact SD-CB 3.57Å; M446-M669 HydrophobicContact SD-CG 3.62Å; M446-M669 HydrophobicContact SD-SD 4.08Å; M446-L673 HydrophobicContact CE-CD1 3.57Å; M446-L673 HydrophobicContact CE-CG 4.28Å |
| 447 | V | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 145.9 | 169 | 64.6 | 0 | 0 | 0 | 0 | 109 | C398 C435 I439 L449 V655 V656 | C398-V447 HydrophobicContact CB-CB 4.32Å; C398-V447 WeakPolarHBondContact O-CG2 3.35Å; C435-V447 HydrophobicContact CB-CB 4.33Å; C435-V447 HydrophobicContact CB-CG1 4.48Å; C435-V447 HydrophobicContact CB-CG2 4.01Å; I439-V447 HydrophobicContact CD1-CB 3.76Å; I439-V447 HydrophobicContact CD1-CG1 3.32Å; V447-L449 HydrophobicContact CG1-CD1 4.38Å; V447-L449 HydrophobicContact CG1-CD2 3.86Å; V447-L449 HydrophobicContact CG1-CG 3.96Å; V447-L449 HydrophobicContact CG2-CD2 4.22Å; V447-V655 WeakPolarHBondContact O-CA 3.4Å; V447-V656 HydrophobicContact CG1-CG2 3.62Å; V447-V656 PolarHBondContact N-O 3Å; V447-V656 PolarHBondContact O-N 2.83Å |
| 448 | T | 98.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 25.1 Ų | 25.1 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.1 | 171 | -50.2 | 0 | 0 | 0 | 0 | 110.2 | W397 E469 N653 V654 I701 | W397-T448 WeakPolarHBondContact CZ2-OG1 3.38Å; T448-E469 WeakPolarHBondContact CG2-OE1 3.41Å; T448-N653 HydrophobicContact CG2-CB 4.15Å; T448-V654 CarbonylContact C-O 3.54Å; T448-V654 WeakPolarHBondContact CA-O 3.36Å; T448-I701 WeakPolarHBondContact CB-O 3.5Å; T448-I701 VanDerWaalsContact CG2-O 3.24Å; T448-I701 WeakPolarHBondContact CG2-O 3.47Å; T448-I701 PolarHBondContact OG1-O 3.12Å |
| 449 | L | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145 | -178.9 | -60.8 | -175.1 | 0 | 0 | 0 | 111.7 | T432 M436 V447 D453 A457 N653 V654 V656 | T432-L449 HydrophobicContact CG2-CD2 3.18Å; M436-L449 HydrophobicContact CE-CD1 3.92Å; M436-L449 HydrophobicContact CE-CD2 3.89Å; M436-L449 HydrophobicContact CG-CD1 4.44Å; V447-L449 HydrophobicContact CG1-CD1 4.38Å; V447-L449 HydrophobicContact CG1-CD2 3.86Å; V447-L449 HydrophobicContact CG1-CG 3.96Å; V447-L449 HydrophobicContact CG2-CD2 4.22Å; L449-D453 HydrophobicContact CB-CB 4.14Å; L449-D453 HydrophobicContact CD2-CB 4.11Å; L449-A457 HydrophobicContact CD1-CB 3.46Å; L449-A457 VanDerWaalsContact CD1-CB 3.46Å; L449-N653 CarbonylContact O-C 3.42Å; L449-N653 VanDerWaalsContact O-CA 3.29Å; L449-N653 WeakPolarHBondContact O-CA 3.13Å; L449-V654 PolarHBondContact N-O 2.63Å; L449-V654 PolarHBondContact O-N 3.36Å; L449-V656 HydrophobicContact CD1-CB 4.35Å; L449-V656 HydrophobicContact CD1-CG1 3.87Å; L449-V656 HydrophobicContact CD1-CG2 3.51Å; L449-V656 HydrophobicContact CG-CG1 4.31Å; L449-V656 HydrophobicContact CG-CG2 3.94Å |
| 450 | E | 95.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 5% | 0.051 | 14% | 0.14 | C | C | . | . | trans | -79.7 | 161.3 | 167.1 | -165.5 | -176.2 | 139.3 | 0 | 0 | 110.8 | G452 D453 L454 Y477 K507 A508 | E450-G452 VanDerWaalsContact C-N 3.27Å; E450-G452 PolarHBondContact O-N 3.38Å; E450-G452 VanDerWaalsContact O-N 3.13Å; E450-D453 PolarHBondContact O-N 3Å; E450-L454 PolarHBondContact O-N 3.08Å; E450-Y477 PolarHBondContact OE1-OH 3.02Å; E450-K507 WeakPolarHBondContact OE1-CA 3.32Å; E450-K507 WeakPolarHBondContact OE1-CB 3.34Å; E450-K507 WeakPolarHBondContact OE2-CB 3.46Å; E450-K507 WeakPolarHBondContact OE2-CD 3.21Å; E450-K507 WeakPolarHBondContact OE2-CE 3.17Å; E450-K507 WeakPolarHBondContact OE2-CG 3.37Å; E450-K507 IonicContact OE2-NZ 2.77Å; E450-A508 WeakPolarHBondContact OE1-CB 3.47Å; E450-A508 PolarHBondContact OE1-N 3Å | ||
| 451 | A | 96.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -47.8 | -41.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L454 Y455 A508 I650 P651 L723 F727 | A451-L454 PolarHBondContact O-N 2.97Å; A451-Y455 PolarHBondContact O-N 2.78Å; A451-A508 HydrophobicContact CB-CB 4.17Å; A451-I650 HydrophobicContact CB-CG2 3.68Å; A451-P651 HydrophobicContact CB-CG 4.09Å; A451-L723 HydrophobicContact CB-CD2 3.69Å; A451-L723 WeakPolarHBondContact O-CD2 3.49Å; A451-F727 HydrophobicContact CB-CD1 4.45Å; A451-F727 HydrophobicContact CB-CE1 3.79Å; A451-F727 HydrophobicContact CB-CE2 4.48Å; A451-F727 HydrophobicContact CB-CZ 3.8Å |
| 452 | G | 94.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E450 Y455 G506 | E450-G452 VanDerWaalsContact C-N 3.27Å; E450-G452 PolarHBondContact O-N 3.38Å; E450-G452 VanDerWaalsContact O-N 3.13Å; G452-Y455 PolarHBondContact O-N 3.29Å; G452-G506 WeakPolarHBondContact CA-O 3.12Å |
| 453 | D | 96 | Very high | 96.6 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.032 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -73 | -34.2 | 177.5 | -67.1 | -40.4 | 0 | 0 | 0 | 111.5 | T432 M436 L449 E450 Y455 I456 A457 R576 | T432-D453 HydrophobicContact CG2-CB 4.35Å; M436-D453 HydrophobicContact CE-CB 3.71Å; M436-D453 WeakPolarHBondContact CE-O 3.33Å; L449-D453 HydrophobicContact CB-CB 4.14Å; L449-D453 HydrophobicContact CD2-CB 4.11Å; E450-D453 PolarHBondContact O-N 3Å; D453-Y455 VanDerWaalsContact C-N 3.3Å; D453-Y455 PolarHBondContact O-N 2.95Å; D453-I456 WeakPolarHBondContact O-CB 3.31Å; D453-I456 PolarHBondContact O-N 3.48Å; D453-I456 VanDerWaalsContact O-N 3.14Å; D453-A457 WeakPolarHBondContact O-CB 3.42Å; D453-A457 PolarHBondContact O-N 3.33Å; D453-R576 IonicContact OD1-CZ 2.82Å; D453-R576 IonicContact OD1-NH1 3.22Å; D453-R576 IonicContact OD1-NH2 3.49Å; D453-R576 PolarHBondContact OD1-NH2 2.88Å; D453-R576 IonicContact OD2-CZ 2.76Å; D453-R576 IonicContact OD2-NH2 3.18Å; D453-R576 PolarHBondContact OD2-NH2 3.33Å |
| 454 | L | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 175 | 178.9 | 63.4 | 0 | 0 | 0 | 112.2 | E450 A451 I456 A457 G458 P465 V654 V656 W722 L723 | E450-L454 PolarHBondContact O-N 3.08Å; A451-L454 PolarHBondContact O-N 2.97Å; L454-I456 VanDerWaalsContact C-N 3.31Å; L454-I456 PolarHBondContact O-N 3.33Å; L454-A457 PolarHBondContact O-N 2.96Å; L454-G458 PolarHBondContact O-N 3.45Å; L454-P465 HydrophobicContact CD1-CB 4.11Å; L454-P465 HydrophobicContact CD1-CG 4.35Å; L454-P465 HydrophobicContact CD2-CB 4.41Å; L454-P465 HydrophobicContact CD2-CG 4.49Å; L454-V654 HydrophobicContact CB-CG2 4.36Å; L454-V654 HydrophobicContact CD1-CG2 3.87Å; L454-V654 HydrophobicContact CD2-CG2 3.72Å; L454-V654 HydrophobicContact CG-CG2 4.18Å; L454-V656 HydrophobicContact CD1-CG1 3.57Å; L454-W722 HydrophobicContact CD2-CB 4.21Å; L454-W722 HydrophobicContact CD2-CG 4.08Å; L454-L723 HydrophobicContact CB-CD2 4.39Å; L454-L723 HydrophobicContact CD2-CD2 3.8Å; L454-L723 HydrophobicContact CD2-CG 3.94Å; L454-L723 HydrophobicContact CG-CD1 4.5Å; L454-L723 HydrophobicContact CG-CD2 4.42Å; L454-L723 HydrophobicContact CG-CG 4.41Å |
| 455 | Y | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 174.8 | 173.1 | -93.8 | 0 | 0 | 0 | 111.3 | A451 G452 D453 K459 Y719 L723 I728 V731 E732 | A451-Y455 PolarHBondContact O-N 2.78Å; G452-Y455 PolarHBondContact O-N 3.29Å; D453-Y455 VanDerWaalsContact C-N 3.3Å; D453-Y455 PolarHBondContact O-N 2.95Å; Y455-K459 HydrophobicContact CE1-CD 4.05Å; Y455-K459 HydrophobicContact CE2-CD 3.85Å; Y455-K459 VanDerWaalsContact CZ-CD 3.47Å; Y455-K459 WeakPolarHBondContact O-CB 3.43Å; Y455-K459 PolarHBondContact O-N 3.18Å; Y455-K459 VanDerWaalsContact OH-CD 3.29Å; Y455-K459 WeakPolarHBondContact OH-CD 3.16Å; Y455-K459 PolarHBondContact OH-NZ 2.88Å; Y455-Y719 HydrophobicContact CD2-CD2 4.17Å; Y455-Y719 AromaticContact CD2-CE2 3.85Å; Y455-Y719 HydrophobicContact CD2-CE2 3.85Å; Y455-Y719 HydrophobicContact CE2-CE2 4.19Å; Y455-L723 HydrophobicContact CD2-CD1 4.46Å; Y455-I728 HydrophobicContact CE2-CG2 4.27Å; Y455-V731 HydrophobicContact CD1-CB 4.46Å; Y455-V731 HydrophobicContact CD1-CG1 3.48Å; Y455-V731 VanDerWaalsContact CD1-CG1 3.48Å; Y455-V731 HydrophobicContact CD2-CB 4.47Å; Y455-V731 HydrophobicContact CD2-CG1 4.29Å; Y455-V731 HydrophobicContact CE1-CG1 3.51Å; Y455-V731 HydrophobicContact CE2-CG1 4.33Å; Y455-V731 HydrophobicContact CG-CB 4.42Å; Y455-V731 HydrophobicContact CG-CG1 3.88Å; Y455-E732 HydrophobicContact CE2-CG 4.24Å; Y455-E732 WeakPolarHBondContact OH-CG 3.08Å |
| 456 | I | 93.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 6% | 0.056 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 178.3 | -62.8 | 172 | 0 | 0 | 0 | 110 | M436 D453 L454 Y460 F461 L745 | M436-I456 HydrophobicContact SD-CG2 4.07Å; D453-I456 WeakPolarHBondContact O-CB 3.31Å; D453-I456 PolarHBondContact O-N 3.48Å; D453-I456 VanDerWaalsContact O-N 3.14Å; L454-I456 VanDerWaalsContact C-N 3.31Å; L454-I456 PolarHBondContact O-N 3.33Å; I456-Y460 HydrophobicContact CB-CD2 4.46Å; I456-Y460 HydrophobicContact CG2-CD2 4Å; I456-Y460 WeakPolarHBondContact O-CB 3.26Å; I456-Y460 WeakPolarHBondContact O-CD2 3.31Å; I456-Y460 PolarHBondContact O-N 2.86Å; I456-F461 HydrophobicContact CG2-CD2 4.26Å; I456-F461 HydrophobicContact CG2-CE2 3.86Å; I456-L745 WeakPolarHBondContact CD1-O 3.49Å |
| 457 | A | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.6 | -50.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M436 L449 D453 L454 F461 D462 L463 | M436-A457 HydrophobicContact CE-CB 4.14Å; M436-A457 HydrophobicContact CG-CB 4.16Å; M436-A457 HydrophobicContact SD-CB 3.86Å; L449-A457 HydrophobicContact CD1-CB 3.46Å; L449-A457 VanDerWaalsContact CD1-CB 3.46Å; D453-A457 WeakPolarHBondContact O-CB 3.42Å; D453-A457 PolarHBondContact O-N 3.33Å; L454-A457 PolarHBondContact O-N 2.96Å; A457-F461 CarbonylContact O-C 3.44Å; A457-F461 VanDerWaalsContact O-CA 3.27Å; A457-F461 WeakPolarHBondContact O-CA 3.45Å; A457-F461 VanDerWaalsContact O-CB 3.29Å; A457-F461 WeakPolarHBondContact O-CB 3.33Å; A457-F461 PolarHBondContact O-N 3.45Å; A457-D462 PolarHBondContact O-N 2.61Å; A457-D462 VanDerWaalsContact O-N 3.14Å; A457-L463 HydrophobicContact CB-CB 4.04Å; A457-L463 HydrophobicContact CB-CD1 4.07Å; A457-L463 HydrophobicContact CB-CG 4.41Å; A457-L463 PolarHBondContact O-N 3.23Å |
| 458 | G | 96.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 10% | 0.103 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.2 | -49.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L454 Y460 D462 L463 Y719 | L454-G458 PolarHBondContact O-N 3.45Å; G458-Y460 PolarHBondContact O-N 3.45Å; G458-D462 PolarHBondContact O-N 2.93Å; G458-L463 VanDerWaalsContact CA-O 3.3Å; G458-L463 WeakPolarHBondContact CA-O 3.25Å; G458-Y719 VanDerWaalsContact CA-CD1 3.42Å |
| 459 | K | 94.6 | Very high | 96.7 | Very high | 73 Ų | 73 | 12 Ų | 12 | 32% | 0.317 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -70.5 | -29.6 | -172.8 | -165.3 | 157.2 | -166.5 | 156.7 | 0 | 114.4 | Y455 Y719 E732 | Y455-K459 HydrophobicContact CE1-CD 4.05Å; Y455-K459 HydrophobicContact CE2-CD 3.85Å; Y455-K459 VanDerWaalsContact CZ-CD 3.47Å; Y455-K459 WeakPolarHBondContact O-CB 3.43Å; Y455-K459 PolarHBondContact O-N 3.18Å; Y455-K459 VanDerWaalsContact OH-CD 3.29Å; Y455-K459 WeakPolarHBondContact OH-CD 3.16Å; Y455-K459 PolarHBondContact OH-NZ 2.88Å; K459-Y719 HydrophobicContact CB-CE1 4.49Å; K459-Y719 HydrophobicContact CB-CE2 4.38Å; K459-E732 IonicContact NZ-OE1 3.99Å; K459-E732 PolarHBondContact NZ-OE1 3.07Å |
| 460 | Y | 93.1 | Very high | 96.7 | Very high | 26 Ų | 26 | 13.1 Ų | 13.1 | 10% | 0.102 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -119.9 | -24.9 | -172.8 | -61.7 | -61.2 | 0 | 0 | 0 | 115.1 | K440 I456 G458 K735 Y746 N747 S748 | K440-Y460 PolarHBondContact NZ-O 3Å; I456-Y460 HydrophobicContact CB-CD2 4.46Å; I456-Y460 HydrophobicContact CG2-CD2 4Å; I456-Y460 WeakPolarHBondContact O-CB 3.26Å; I456-Y460 WeakPolarHBondContact O-CD2 3.31Å; I456-Y460 PolarHBondContact O-N 2.86Å; G458-Y460 PolarHBondContact O-N 3.45Å; Y460-K735 PolarHBondContact OH-NZ 2.96Å; Y460-Y746 WeakPolarHBondContact CE2-O 3.42Å; Y460-Y746 PolarHBondContact OH-O 3.24Å; Y460-N747 PolarHBondContact OH-OD1 2.79Å; Y460-N747 VanDerWaalsContact OH-OD1 3.12Å; Y460-S748 WeakPolarHBondContact CB-OG 3.32Å; Y460-S748 VanDerWaalsContact CD1-OG 3.29Å; Y460-S748 WeakPolarHBondContact CD1-OG 3.21Å; Y460-S748 VanDerWaalsContact CG-OG 3.24Å |
| 461 | F | 96.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 13.8 Ų | 13.8 | 2% | 0.022 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -110.7 | -2.1 | -176.7 | -60.5 | -81.6 | 0 | 0 | 0 | 113.3 | I433 M436 K437 K440 I456 A457 L463 L750 | I433-F461 HydrophobicContact CG2-CE2 4.47Å; I433-F461 HydrophobicContact CG2-CZ 3.98Å; M436-F461 HydrophobicContact CB-CB 4.18Å; M436-F461 HydrophobicContact CB-CD1 4.14Å; M436-F461 HydrophobicContact CB-CD2 3.8Å; M436-F461 HydrophobicContact CB-CE2 4.2Å; M436-F461 HydrophobicContact CB-CG 3.76Å; M436-F461 HydrophobicContact CG-CD2 4.37Å; M436-F461 HydrophobicContact SD-CD2 3.74Å; M436-F461 HydrophobicContact SD-CE2 3.9Å; K437-F461 HydrophobicContact CB-CE1 4.5Å; K437-F461 HydrophobicContact CG-CD1 4.16Å; K437-F461 HydrophobicContact CG-CE1 3.46Å; K437-F461 VanDerWaalsContact CG-CE1 3.46Å; K437-F461 HydrophobicContact CG-CZ 4.21Å; K440-F461 HydrophobicContact CD-CB 4.35Å; K440-F461 HydrophobicContact CD-CD1 4.02Å; K440-F461 WeakPolarHBondContact CG-O 3.42Å; I456-F461 HydrophobicContact CG2-CD2 4.26Å; I456-F461 HydrophobicContact CG2-CE2 3.86Å; A457-F461 CarbonylContact O-C 3.44Å; A457-F461 VanDerWaalsContact O-CA 3.27Å; A457-F461 WeakPolarHBondContact O-CA 3.45Å; A457-F461 VanDerWaalsContact O-CB 3.29Å; A457-F461 WeakPolarHBondContact O-CB 3.33Å; A457-F461 PolarHBondContact O-N 3.45Å; F461-L463 HydrophobicContact CB-CD1 4.12Å; F461-L463 HydrophobicContact CB-CD2 4.47Å; F461-L463 HydrophobicContact CB-CG 3.79Å; F461-L463 PolarHBondContact O-N 2.94Å; F461-L750 HydrophobicContact CE1-CD1 4.36Å |
| 462 | D | 96.6 | Very high | 96.3 | Very high | 89 Ų | 89 | 15.5 Ų | 15.5 | 48% | 0.476 | 9% | 0.088 | S | C | . | . | trans | 53.5 | 43.8 | -178.2 | -166.2 | 31.3 | 0 | 0 | 0 | 110.9 | A457 G458 N659 | A457-D462 PolarHBondContact O-N 2.61Å; A457-D462 VanDerWaalsContact O-N 3.14Å; G458-D462 PolarHBondContact O-N 2.93Å; D462-N659 WeakPolarHBondContact O-CB 3.48Å; D462-N659 PolarHBondContact O-N 2.89Å; D462-N659 WeakPolarHBondContact OD1-CB 3.48Å; D462-N659 PolarHBondContact OD1-ND2 2.75Å | ||
| 463 | L | 98.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 148.4 | 175.1 | -54.6 | -172.6 | 0 | 0 | 0 | 110.2 | M436 I439 K440 A457 G458 F461 V656 T657 A658 | M436-L463 HydrophobicContact CB-CD1 3.8Å; M436-L463 HydrophobicContact CG-CD1 3.95Å; I439-L463 HydrophobicContact CB-CD1 4.38Å; I439-L463 HydrophobicContact CB-CD2 4.2Å; I439-L463 HydrophobicContact CG2-CD1 4.39Å; I439-L463 HydrophobicContact CG2-CD2 3.64Å; K440-L463 HydrophobicContact CB-CD2 4.47Å; A457-L463 HydrophobicContact CB-CB 4.04Å; A457-L463 HydrophobicContact CB-CD1 4.07Å; A457-L463 HydrophobicContact CB-CG 4.41Å; A457-L463 PolarHBondContact O-N 3.23Å; G458-L463 VanDerWaalsContact CA-O 3.3Å; G458-L463 WeakPolarHBondContact CA-O 3.25Å; F461-L463 HydrophobicContact CB-CD1 4.12Å; F461-L463 HydrophobicContact CB-CD2 4.47Å; F461-L463 HydrophobicContact CB-CG 3.79Å; F461-L463 PolarHBondContact O-N 2.94Å; L463-V656 HydrophobicContact CB-CB 4.43Å; L463-V656 HydrophobicContact CB-CG2 4.36Å; L463-V656 HydrophobicContact CD1-CG2 4.1Å; L463-T657 CarbonylContact C-O 3.59Å; L463-T657 VanDerWaalsContact CA-O 3.28Å; L463-T657 WeakPolarHBondContact CA-O 3.13Å; L463-A658 HydrophobicContact CD2-CB 4.22Å |
| 464 | V | 98.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.2 | -174.6 | -69 | 0 | 0 | 0 | 0 | 110.6 | V656 T657 N659 Q717 | V464-V656 CarbonylContact O-C 3.58Å; V464-V656 WeakPolarHBondContact O-CA 3.26Å; V464-V656 WeakPolarHBondContact O-CB 3.3Å; V464-T657 HydrophobicContact CG2-CG2 4.19Å; V464-T657 PolarHBondContact N-O 2.97Å; V464-T657 PolarHBondContact O-N 3.34Å; V464-N659 HydrophobicContact CG1-CB 3.85Å; V464-Q717 WeakPolarHBondContact CB-O 3.33Å; V464-Q717 VanDerWaalsContact CG1-O 3.3Å; V464-Q717 WeakPolarHBondContact CG1-O 3.27Å |
| 465 | P | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 133.3 | 175.5 | 34.7 | -35.5 | 0 | 0 | 0 | 110.1 | L454 V654 V656 I712 Q717 W722 | L454-P465 HydrophobicContact CD1-CB 4.11Å; L454-P465 HydrophobicContact CD1-CG 4.35Å; L454-P465 HydrophobicContact CD2-CB 4.41Å; L454-P465 HydrophobicContact CD2-CG 4.49Å; P465-V654 HydrophobicContact CB-CB 3.96Å; P465-V654 HydrophobicContact CB-CG1 4.1Å; P465-V654 HydrophobicContact CB-CG2 3.92Å; P465-V656 HydrophobicContact CB-CG1 4.4Å; P465-I712 HydrophobicContact CB-CD1 3.68Å; P465-I712 HydrophobicContact CG-CD1 4.24Å; P465-Q717 WeakPolarHBondContact O-CA 3.44Å; P465-Q717 VanDerWaalsContact O-CB 3.27Å; P465-Q717 WeakPolarHBondContact O-CB 3.49Å; P465-Q717 WeakPolarHBondContact O-CG 3.13Å; P465-W722 HydrophobicContact CG-CB 4.04Å; P465-W722 HydrophobicContact CG-CG 4.47Å |
| 466 | V | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -38.8 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | V655 T657 R666 L711 I712 | V466-V655 PolarHBondContact N-O 2.83Å; V466-T657 HydrophobicContact CG2-CG2 3.55Å; V466-R666 HydrophobicContact CG1-CB 4.06Å; V466-R666 HydrophobicContact CG2-CB 4.28Å; V466-R666 HydrophobicContact CG2-CG 4.21Å; V466-L711 HydrophobicContact CG1-CD1 4.26Å; V466-I712 WeakPolarHBondContact O-CB 3.38Å; V466-I712 PolarHBondContact O-N 2.93Å |
| 467 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.8 | -175.5 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | V654 V655 W670 L673 L709 N710 | V467-V654 CarbonylContact O-C 3.39Å; V467-V654 WeakPolarHBondContact O-CA 3.25Å; V467-V654 VanDerWaalsContact O-CB 3.32Å; V467-V654 WeakPolarHBondContact O-CB 3.42Å; V467-V655 HydrophobicContact CB-CB 4.07Å; V467-V655 HydrophobicContact CB-CG2 4.13Å; V467-V655 PolarHBondContact N-O 3.46Å; V467-V655 PolarHBondContact O-N 2.89Å; V467-W670 HydrophobicContact CB-CE3 4.47Å; V467-W670 HydrophobicContact CG1-CE3 3.97Å; V467-W670 HydrophobicContact CG1-CZ3 3.85Å; V467-W670 HydrophobicContact CG2-CB 4.45Å; V467-W670 HydrophobicContact CG2-CE3 3.68Å; V467-W670 HydrophobicContact CG2-CZ3 4.41Å; V467-L673 HydrophobicContact CB-CD1 4.42Å; V467-L673 HydrophobicContact CG1-CD1 4.36Å; V467-L673 HydrophobicContact CG2-CD1 4.08Å; V467-L709 HydrophobicContact CG1-CB 3.71Å; V467-L709 HydrophobicContact CG1-CD1 4.17Å; V467-L709 HydrophobicContact CG1-CD2 4.23Å; V467-L709 HydrophobicContact CG1-CG 4.26Å; V467-N710 CarbonylContact C-O 3.58Å; V467-N710 WeakPolarHBondContact CA-O 3.05Å |
| 468 | S | 98.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.6 | 175.6 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | L709 N710 W722 | S468-L709 WeakPolarHBondContact O-CA 3.47Å; S468-N710 PolarHBondContact N-O 3.26Å; S468-N710 PolarHBondContact O-N 2.86Å; S468-W722 WeakPolarHBondContact OG-CH2 3.41Å |
| 469 | E | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 143.8 | 165.3 | -67 | 173.9 | -146.4 | 0 | 0 | 110.5 | T448 Y471 S652 N653 F702 N703 T706 L709 | T448-E469 WeakPolarHBondContact CG2-OE1 3.41Å; E469-Y471 HydrophobicContact CB-CE1 3.71Å; E469-Y471 VanDerWaalsContact OE2-CE1 3.22Å; E469-Y471 WeakPolarHBondContact OE2-CE1 3.48Å; E469-Y471 PolarHBondContact OE2-OH 3.24Å; E469-S652 WeakPolarHBondContact O-CB 3.22Å; E469-S652 PolarHBondContact O-OG 2.92Å; E469-N653 VanDerWaalsContact CD-CB 3.5Å; E469-N653 HydrophobicContact CG-CB 4.23Å; E469-N653 PolarHBondContact N-O 3.49Å; E469-N653 WeakPolarHBondContact OE1-CB 3.47Å; E469-N653 PolarHBondContact OE1-ND2 3.47Å; E469-N653 PolarHBondContact OE2-ND2 3.21Å; E469-F702 HydrophobicContact CG-CD1 4.15Å; E469-N703 WeakPolarHBondContact OE2-CB 3.46Å; E469-N703 PolarHBondContact OE2-N 3.42Å; E469-T706 HydrophobicContact CB-CG2 4.02Å; E469-T706 HydrophobicContact CG-CG2 4.07Å; E469-T706 PolarHBondContact OE2-OG1 3.12Å; E469-T706 VanDerWaalsContact OE2-OG1 3.1Å; E469-L709 HydrophobicContact CG-CD2 3.97Å |
| 470 | N | 97.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 22.9 Ų | 22.9 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.9 | 175.9 | -175.9 | 11.4 | 0 | 0 | 0 | 109.3 | G472 G474 E707 S708 N710 | N470-G472 PolarHBondContact OD1-N 3.37Å; N470-G474 VanDerWaalsContact OD1-CA 3.23Å; N470-G474 WeakPolarHBondContact OD1-CA 3.1Å; N470-G474 PolarHBondContact OD1-N 2.75Å; N470-G474 PolarHBondContact OD1-O 3.35Å; N470-E707 PolarHBondContact O-N 3.35Å; N470-S708 WeakPolarHBondContact CA-O 3.42Å; N470-S708 VanDerWaalsContact CB-O 3.3Å; N470-S708 WeakPolarHBondContact CB-O 3.37Å; N470-S708 PolarHBondContact N-O 2.71Å; N470-S708 PolarHBondContact ND2-OG 3.03Å; N470-S708 PolarHBondContact O-N 3.42Å; N470-N710 PolarHBondContact ND2-ND2 2.78Å |
| 471 | Y | 94.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 21.6 Ų | 21.6 | 10% | 0.098 | 12% | 0.124 | C | C | . | . | trans | -102.7 | 32.3 | -172.8 | -50.4 | -52.2 | 0 | 0 | 0 | 111.8 | E469 N473 G474 Y477 R602 N653 N703 D705 | E469-Y471 HydrophobicContact CB-CE1 3.71Å; E469-Y471 VanDerWaalsContact OE2-CE1 3.22Å; E469-Y471 WeakPolarHBondContact OE2-CE1 3.48Å; E469-Y471 PolarHBondContact OE2-OH 3.24Å; Y471-N473 PolarHBondContact O-N 2.97Å; Y471-G474 PolarHBondContact N-O 2.96Å; Y471-Y477 AromaticContact CE2-CD1 3.99Å; Y471-Y477 HydrophobicContact CE2-CD1 3.99Å; Y471-R602 PolarHBondContact OH-NH1 3.13Å; Y471-R602 VanDerWaalsContact OH-NH1 3.13Å; Y471-N653 PolarHBondContact OH-N 2.96Å; Y471-N703 HydrophobicContact CE1-CB 3.93Å; Y471-D705 HydrophobicContact CD1-CB 4.22Å; Y471-D705 WeakPolarHBondContact CD1-O 3.46Å | ||
| 472 | G | 89.1 | Confident | 96.5 | Very high | 36 Ų | 36 | 21.4 Ų | 21.4 | 37% | 0.371 | 12% | 0.123 | S | C | . | . | S | Bend | trans | 76.2 | -47.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N470 G474 E707 | N470-G472 PolarHBondContact OD1-N 3.37Å; G472-G474 PolarHBondContact O-N 2.72Å; G472-E707 VanDerWaalsContact CA-CD 3.41Å; G472-E707 WeakPolarHBondContact CA-OE2 3.09Å |
| 473 | N | 87.2 | Confident | 96.5 | Very high | 117 Ų | 117 | 17.1 Ų | 17.1 | 63% | 0.626 | 10% | 0.1 | S | C | * | . | S | Bend | trans | -81.2 | 4.3 | 176.8 | -69.1 | -40 | 0 | 0 | 0 | 113.8 | Y471 F476 | Y471-N473 PolarHBondContact O-N 2.97Å; N473-F476 WeakPolarHBondContact O-CZ 3.27Å |
| 474 | G | 91.5 | Very high | 96.5 | Very high | 13 Ų | 13 | 19.8 Ų | 19.8 | 13% | 0.134 | 11% | 0.113 | C | C | . | . | trans | 117.5 | 176.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N470 Y471 G472 F476 | N470-G474 VanDerWaalsContact OD1-CA 3.23Å; N470-G474 WeakPolarHBondContact OD1-CA 3.1Å; N470-G474 PolarHBondContact OD1-N 2.75Å; N470-G474 PolarHBondContact OD1-O 3.35Å; Y471-G474 PolarHBondContact N-O 2.96Å; G472-G474 PolarHBondContact O-N 2.72Å; G474-F476 PolarHBondContact O-N 2.99Å | ||
| 475 | P | 95.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 22.5 Ų | 22.5 | 29% | 0.292 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -83 | 52.9 | -177.4 | 35.7 | -36.9 | 0 | 0 | 0 | 111.4 | S652 W722 | P475-S652 VanDerWaalsContact C-CB 3.48Å; P475-S652 WeakPolarHBondContact CA-OG 3.4Å; P475-S652 WeakPolarHBondContact CB-OG 3.28Å; P475-S652 PolarHBondContact O-N 3.27Å; P475-S652 PolarHBondContact O-OG 2.65Å; P475-W722 HydrophobicContact CB-CH2 3.77Å; P475-W722 HydrophobicContact CB-CZ2 4.1Å; P475-W722 HydrophobicContact CG-CH2 4.13Å |
| 476 | F | 96.7 | Very high | 96 | Very high | 50 Ų | 50 | 28.2 Ų | 28.2 | 22% | 0.219 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 160.2 | 178.6 | 57.2 | -99.4 | 0 | 0 | 0 | 111.3 | N473 G474 Y478 K649 I650 | N473-F476 WeakPolarHBondContact O-CZ 3.27Å; G474-F476 PolarHBondContact O-N 2.99Å; F476-Y478 HydrophobicContact CD2-CE2 4.01Å; F476-Y478 AromaticContact CE2-CE2 3.85Å; F476-Y478 HydrophobicContact CE2-CE2 3.85Å; F476-K649 HydrophobicContact CB-CG 4.39Å; F476-K649 VanDerWaalsContact CD1-CE 3.5Å; F476-K649 HydrophobicContact CD2-CD 4.3Å; F476-K649 HydrophobicContact CD2-CG 4.22Å; F476-K649 HydrophobicContact CG-CD 4.47Å; F476-K649 HydrophobicContact CG-CG 4.43Å; F476-I650 CarbonylContact C-O 3.29Å; F476-I650 WeakPolarHBondContact CA-O 3.38Å; F476-I650 WeakPolarHBondContact CB-O 3.45Å |
| 477 | Y | 97 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 170.3 | 171.8 | 65.3 | -92.2 | 0 | 0 | 0 | 110.3 | E450 Y471 A509 R602 I650 P651 | E450-Y477 PolarHBondContact OE1-OH 3.02Å; Y471-Y477 AromaticContact CE2-CD1 3.99Å; Y471-Y477 HydrophobicContact CE2-CD1 3.99Å; Y477-A509 HydrophobicContact CE2-CB 4.07Å; Y477-R602 HydrophobicContact CD2-CB 4.3Å; Y477-R602 HydrophobicContact CD2-CG 3.65Å; Y477-R602 HydrophobicContact CE2-CG 3.84Å; Y477-R602 HydrophobicContact CG-CG 4.21Å; Y477-I650 HydrophobicContact CD2-CB 4.32Å; Y477-I650 HydrophobicContact CD2-CD1 4.19Å; Y477-I650 HydrophobicContact CE1-CB 4.17Å; Y477-I650 HydrophobicContact CE1-CG2 3.92Å; Y477-I650 HydrophobicContact CE2-CB 3.88Å; Y477-I650 HydrophobicContact CE2-CD1 3.44Å; Y477-I650 VanDerWaalsContact CE2-CD1 3.44Å; Y477-I650 HydrophobicContact CE2-CG1 4.28Å; Y477-I650 HydrophobicContact CE2-CG2 4.17Å; Y477-I650 PolarHBondContact N-O 3.43Å; Y477-I650 PolarHBondContact O-N 3.28Å; Y477-P651 WeakPolarHBondContact CE1-O 3.29Å |
| 478 | Y | 97.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 34.8 Ų | 34.8 | 11% | 0.106 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.9 | 176.4 | -62.5 | -88.9 | 0 | 0 | 0 | 111 | F476 R602 H603 W642 L643 N646 G648 K649 | F476-Y478 HydrophobicContact CD2-CE2 4.01Å; F476-Y478 AromaticContact CE2-CE2 3.85Å; F476-Y478 HydrophobicContact CE2-CE2 3.85Å; Y478-R602 WeakPolarHBondContact O-CA 3.22Å; Y478-H603 PolarHBondContact N-ND1 3.27Å; Y478-H603 VanDerWaalsContact N-ND1 3.12Å; Y478-H603 PolarHBondContact O-N 3.5Å; Y478-H603 PolarHBondContact O-ND1 2.92Å; Y478-W642 AromaticContact CD2-CE3 3.51Å; Y478-W642 HydrophobicContact CD2-CE3 3.51Å; Y478-W642 HydrophobicContact CD2-CH2 4.46Å; Y478-W642 AromaticContact CD2-CZ3 3.37Å; Y478-W642 HydrophobicContact CD2-CZ3 3.37Å; Y478-W642 AromaticContact CE2-CE3 3.95Å; Y478-W642 HydrophobicContact CE2-CE3 3.95Å; Y478-W642 HydrophobicContact CE2-CH2 4.37Å; Y478-W642 AromaticContact CE2-CZ3 3.37Å; Y478-W642 HydrophobicContact CE2-CZ3 3.37Å; Y478-W642 HydrophobicContact CG-CE3 4.07Å; Y478-W642 HydrophobicContact CG-CZ3 4.32Å; Y478-L643 HydrophobicContact CE2-CD1 4.44Å; Y478-N646 HydrophobicContact CD1-CB 4.02Å; Y478-N646 VanDerWaalsContact CD1-CG 3.41Å; Y478-N646 WeakPolarHBondContact CD1-OD1 3.41Å; Y478-N646 HydrophobicContact CG-CB 4.34Å; Y478-G648 WeakPolarHBondContact CA-O 3.39Å; Y478-K649 HydrophobicContact CD1-CB 3.98Å; Y478-K649 HydrophobicContact CD1-CG 4.32Å; Y478-K649 HydrophobicContact CE1-CB 3.7Å; Y478-K649 HydrophobicContact CE1-CD 4.15Å; Y478-K649 HydrophobicContact CE1-CG 3.81Å |
| 479 | A | 98.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A509 I513 L647 G648 I650 | A479-A509 HydrophobicContact CB-CB 3.82Å; A479-I513 HydrophobicContact CB-CB 4.33Å; A479-I513 HydrophobicContact CB-CG1 4.2Å; A479-I513 HydrophobicContact CB-CG2 4.14Å; A479-L647 PolarHBondContact O-N 3.37Å; A479-G648 PolarHBondContact N-O 2.66Å; A479-I650 HydrophobicContact CB-CD1 3.49Å; A479-I650 VanDerWaalsContact CB-CD1 3.49Å |
| 480 | V | 98.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153.4 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | I482 A601 H603 I629 W642 N646 | V480-I482 HydrophobicContact CG2-CD1 4.2Å; V480-I482 HydrophobicContact CG2-CG1 3.84Å; V480-A601 WeakPolarHBondContact CG2-O 3.28Å; V480-A601 PolarHBondContact N-O 3.27Å; V480-A601 PolarHBondContact O-N 3.13Å; V480-H603 HydrophobicContact CG1-CB 3.88Å; V480-I629 HydrophobicContact CB-CB 4.49Å; V480-I629 HydrophobicContact CB-CG2 3.97Å; V480-I629 HydrophobicContact CG1-CD1 4.44Å; V480-I629 HydrophobicContact CG1-CG2 4.36Å; V480-I629 HydrophobicContact CG2-CG2 4.26Å; V480-W642 HydrophobicContact CG1-CB 4.32Å; V480-N646 HydrophobicContact CG1-CB 4.5Å |
| 481 | A | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 111.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | I492 I598 A599 F600 I629 L630 L647 | A481-I492 HydrophobicContact CB-CD1 4.2Å; A481-I598 HydrophobicContact CB-CD1 3.93Å; A481-I598 HydrophobicContact CB-CG1 4.35Å; A481-A599 CarbonylContact C-O 3.58Å; A481-A599 WeakPolarHBondContact CA-O 3.48Å; A481-F600 HydrophobicContact CB-CD1 3.98Å; A481-F600 HydrophobicContact CB-CE1 3.81Å; A481-I629 CarbonylContact O-C 3.57Å; A481-I629 VanDerWaalsContact O-CA 3.23Å; A481-I629 WeakPolarHBondContact O-CA 3.4Å; A481-L630 HydrophobicContact CB-CB 3.97Å; A481-L630 HydrophobicContact CB-CD1 4.27Å; A481-L630 HydrophobicContact CB-CG 4.29Å; A481-L630 PolarHBondContact O-N 3.01Å; A481-L647 HydrophobicContact CB-CD1 3.8Å |
| 482 | I | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 135.7 | -174.8 | -53.6 | 158.1 | 0 | 0 | 0 | 109.3 | V480 F589 L592 I598 A599 A601 V606 Y627 I629 | V480-I482 HydrophobicContact CG2-CD1 4.2Å; V480-I482 HydrophobicContact CG2-CG1 3.84Å; I482-F589 HydrophobicContact CD1-CD2 4.28Å; I482-F589 HydrophobicContact CG2-CD2 4.21Å; I482-F589 HydrophobicContact CG2-CE2 4.12Å; I482-L592 HydrophobicContact CB-CD2 4.11Å; I482-L592 HydrophobicContact CG2-CD2 3.64Å; I482-I598 WeakPolarHBondContact O-CA 3.4Å; I482-A599 PolarHBondContact N-O 3.13Å; I482-A599 PolarHBondContact O-N 3.35Å; I482-A601 HydrophobicContact CD1-CB 3.98Å; I482-V606 HydrophobicContact CB-CG2 4.44Å; I482-V606 HydrophobicContact CD1-CG2 3.58Å; I482-V606 HydrophobicContact CG1-CG2 3.88Å; I482-V606 HydrophobicContact CG2-CG2 3.67Å; I482-Y627 HydrophobicContact CG2-CD1 4.45Å; I482-I629 HydrophobicContact CG1-CG2 4.4Å |
| 483 | V | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.7 | 180 | -70.9 | 0 | 0 | 0 | 0 | 110.2 | L490 I598 Y627 E628 L630 | V483-L490 HydrophobicContact CG1-CD2 3.61Å; V483-L490 HydrophobicContact CG1-CG 4.11Å; V483-I598 HydrophobicContact CG1-CB 4.11Å; V483-I598 HydrophobicContact CG1-CD1 4.35Å; V483-I598 HydrophobicContact CG1-CG1 4Å; V483-Y627 WeakPolarHBondContact O-CA 3.5Å; V483-E628 HydrophobicContact CG2-CB 4.21Å; V483-E628 VanDerWaalsContact CG2-O 3.31Å; V483-E628 WeakPolarHBondContact CG2-O 3.08Å; V483-E628 PolarHBondContact N-O 3.48Å; V483-E628 PolarHBondContact O-N 3.34Å; V483-L630 HydrophobicContact CG1-CD1 3.86Å; V483-L630 HydrophobicContact CG1-CD2 4.25Å; V483-L630 HydrophobicContact CG1-CG 3.96Å; V483-L630 HydrophobicContact CG2-CD2 3.67Å; V483-L630 HydrophobicContact CG2-CG 3.97Å |
| 484 | E | 97.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 35.7 Ų | 35.7 | 27% | 0.271 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 142.5 | 172.2 | -58.7 | -169 | 155.6 | 0 | 0 | 111.3 | V486 N487 L592 Y627 R636 | E484-V486 HydrophobicContact CB-CG2 3.78Å; E484-V486 PolarHBondContact O-N 2.78Å; E484-V486 VanDerWaalsContact O-N 3.14Å; E484-V486 WeakPolarHBondContact OE2-CG2 3.45Å; E484-N487 PolarHBondContact O-N 2.99Å; E484-N487 VanDerWaalsContact O-N 3.11Å; E484-L592 HydrophobicContact CG-CD1 4.49Å; E484-L592 HydrophobicContact CG-CG 4.43Å; E484-Y627 HydrophobicContact CG-CD1 4.12Å; E484-Y627 HydrophobicContact CG-CE1 3.95Å; E484-R636 PolarHBondContact O-NH2 2.82Å |
| 485 | K | 95.2 | Very high | 95.2 | Very high | 62 Ų | 62 | 35 Ų | 35 | 27% | 0.27 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.8 | 177.3 | -78.3 | -168.1 | -177.8 | 169.5 | 0 | 112.9 | N487 D625 N626 E628 R636 E638 | K485-N487 PolarHBondContact O-N 3.06Å; K485-N487 VanDerWaalsContact O-N 3.07Å; K485-D625 WeakPolarHBondContact CD-O 3.38Å; K485-D625 WeakPolarHBondContact CE-O 3.19Å; K485-D625 PolarHBondContact NZ-O 3.49Å; K485-N626 PolarHBondContact N-O 3.2Å; K485-E628 HydrophobicContact CD-CG 4.11Å; K485-E628 WeakPolarHBondContact CE-OE1 3.3Å; K485-E628 HydrophobicContact CG-CG 3.62Å; K485-R636 PolarHBondContact O-NH1 3.33Å; K485-E638 WeakPolarHBondContact CE-OE2 3.27Å; K485-E638 IonicContact NZ-OE1 2.98Å; K485-E638 PolarHBondContact NZ-OE1 3.45Å; K485-E638 IonicContact NZ-OE2 2.86Å; K485-E638 PolarHBondContact NZ-OE2 3.12Å |
| 486 | V | 91.4 | Very high | 95.2 | Very high | 121 Ų | 121 | 41.1 Ų | 41.1 | 73% | 0.733 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.2 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | E484 P488 | E484-V486 HydrophobicContact CB-CG2 3.78Å; E484-V486 PolarHBondContact O-N 2.78Å; E484-V486 VanDerWaalsContact O-N 3.14Å; E484-V486 WeakPolarHBondContact OE2-CG2 3.45Å; V486-P488 WeakPolarHBondContact O-CD 3.23Å |
| 487 | N | 89.8 | Confident | 95.1 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 23% | 0.225 | 24% | 0.238 | C | C | . | . | trans | -112.1 | 65 | 179.8 | -149.3 | -7.7 | 0 | 0 | 0 | 112.2 | E484 K485 G489 L490 | E484-N487 PolarHBondContact O-N 2.99Å; E484-N487 VanDerWaalsContact O-N 3.11Å; K485-N487 PolarHBondContact O-N 3.06Å; K485-N487 VanDerWaalsContact O-N 3.07Å; N487-G489 PolarHBondContact O-N 3.09Å; N487-G489 VanDerWaalsContact O-N 3.15Å; N487-L490 PolarHBondContact O-N 2.95Å | ||
| 488 | P | 88.8 | Confident | 95.1 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 62% | 0.623 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -16.4 | -170.2 | 29.4 | -37.7 | 0 | 0 | 0 | 114.6 | V486 L490 | V486-P488 WeakPolarHBondContact O-CD 3.23Å; P488-L490 VanDerWaalsContact C-N 3.33Å |
| 489 | G | 90.6 | Very high | 95.1 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N487 N494 | N487-G489 PolarHBondContact O-N 3.09Å; N487-G489 VanDerWaalsContact O-N 3.15Å; G489-N494 PolarHBondContact O-ND2 2.8Å |
| 490 | L | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -89 | 119.9 | 178.9 | -175.6 | 57.1 | 0 | 0 | 0 | 110.3 | V483 N487 P488 R498 D597 I598 L630 | V483-L490 HydrophobicContact CG1-CD2 3.61Å; V483-L490 HydrophobicContact CG1-CG 4.11Å; N487-L490 PolarHBondContact O-N 2.95Å; P488-L490 VanDerWaalsContact C-N 3.33Å; L490-R498 HydrophobicContact CD1-CG 3.9Å; L490-D597 HydrophobicContact CD2-CB 3.98Å; L490-D597 WeakPolarHBondContact CD2-O 3.15Å; L490-I598 HydrophobicContact CD2-CB 4.17Å; L490-L630 WeakPolarHBondContact O-CD2 3.31Å | ||
| 491 | L | 94.8 | Very high | 95.1 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | trans | -123.4 | 170.3 | -177.7 | -58.3 | 178.6 | 0 | 0 | 0 | 109.8 | S493 N494 W495 | L491-S493 PolarHBondContact O-N 3.37Å; L491-S493 VanDerWaalsContact O-N 3.08Å; L491-N494 PolarHBondContact N-OD1 3.13Å; L491-N494 PolarHBondContact O-N 2.78Å; L491-N494 PolarHBondContact O-OD1 2.87Å; L491-N494 VanDerWaalsContact O-OD1 3.1Å; L491-W495 PolarHBondContact O-NE1 3.23Å; L491-W495 VanDerWaalsContact O-NE1 3.13Å | ||
| 492 | I | 95.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19 | -179.9 | -159.1 | 70.6 | 0 | 0 | 0 | 113.3 | A481 W495 T517 Q523 L630 C631 L647 | A481-I492 HydrophobicContact CB-CD1 4.2Å; I492-W495 HydrophobicContact CD1-CZ2 3.78Å; I492-W495 HydrophobicContact CG1-CZ2 4.29Å; I492-W495 VanDerWaalsContact O-CE2 3.29Å; I492-W495 WeakPolarHBondContact O-CZ2 3.36Å; I492-W495 PolarHBondContact O-NE1 3.16Å; I492-W495 VanDerWaalsContact O-NE1 3.15Å; I492-T517 HydrophobicContact CD1-CG2 3.96Å; I492-T517 HydrophobicContact CG1-CG2 3.72Å; I492-Q523 PolarHBondContact O-NE2 2.89Å; I492-L630 HydrophobicContact CB-CB 4.32Å; I492-L630 HydrophobicContact CD1-CB 3.77Å; I492-L630 HydrophobicContact CD1-CD1 4.41Å; I492-C631 WeakPolarHBondContact CG2-O 3.36Å; I492-L647 HydrophobicContact CD1-CD1 4.27Å; I492-L647 HydrophobicContact CD1-CD2 3.51Å; I492-L647 HydrophobicContact CG1-CD2 4.27Å |
| 493 | S | 93.7 | Very high | 95 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 44% | 0.441 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 7.1 | -171.4 | 64.7 | 0 | 0 | 0 | 0 | 115.4 | L491 Q523 | L491-S493 PolarHBondContact O-N 3.37Å; L491-S493 VanDerWaalsContact O-N 3.08Å; S493-Q523 VanDerWaalsContact C-OE1 3.26Å; S493-Q523 WeakPolarHBondContact O-CG 3.18Å; S493-Q523 PolarHBondContact O-OE1 3.21Å |
| 494 | N | 94.1 | Very high | 94.9 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | trans | -134.7 | 53.2 | -174.5 | 73.9 | -10.5 | 0 | 0 | 0 | 115.1 | G489 L491 R496 | G489-N494 PolarHBondContact O-ND2 2.8Å; L491-N494 PolarHBondContact N-OD1 3.13Å; L491-N494 PolarHBondContact O-N 2.78Å; L491-N494 PolarHBondContact O-OD1 2.87Å; L491-N494 VanDerWaalsContact O-OD1 3.1Å; N494-R496 PolarHBondContact O-N 2.98Å | ||
| 495 | W | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -82.1 | 3 | -177.6 | -55 | -9.4 | 0 | 0 | 0 | 114.1 | L491 I492 H497 R498 P514 T517 V518 L538 I598 F600 | L491-W495 PolarHBondContact O-NE1 3.23Å; L491-W495 VanDerWaalsContact O-NE1 3.13Å; I492-W495 HydrophobicContact CD1-CZ2 3.78Å; I492-W495 HydrophobicContact CG1-CZ2 4.29Å; I492-W495 VanDerWaalsContact O-CE2 3.29Å; I492-W495 WeakPolarHBondContact O-CZ2 3.36Å; I492-W495 PolarHBondContact O-NE1 3.16Å; I492-W495 VanDerWaalsContact O-NE1 3.15Å; W495-H497 PolarHBondContact O-N 2.72Å; W495-R498 VanDerWaalsContact O-CB 3.31Å; W495-R498 WeakPolarHBondContact O-CB 3.25Å; W495-R498 WeakPolarHBondContact O-CG 3.42Å; W495-R498 PolarHBondContact O-N 3.33Å; W495-R498 VanDerWaalsContact O-N 3.08Å; W495-P514 HydrophobicContact CZ3-CB 4.42Å; W495-T517 HydrophobicContact CH2-CG2 3.68Å; W495-T517 HydrophobicContact CZ2-CG2 3.89Å; W495-V518 HydrophobicContact CD2-CG2 4.5Å; W495-V518 HydrophobicContact CE3-CG2 3.37Å; W495-V518 HydrophobicContact CH2-CG2 4.27Å; W495-V518 HydrophobicContact CZ3-CG2 3.26Å; W495-L538 HydrophobicContact CB-CD2 4.27Å; W495-I598 HydrophobicContact CZ2-CD1 4.28Å; W495-F600 HydrophobicContact CD2-CZ 4.34Å; W495-F600 AromaticContact CE3-CZ 3.97Å; W495-F600 HydrophobicContact CE3-CZ 3.97Å; W495-F600 AromaticContact CH2-CE1 3.42Å; W495-F600 HydrophobicContact CH2-CE1 3.42Å; W495-F600 VanDerWaalsContact CH2-CE1 3.42Å; W495-F600 AromaticContact CH2-CZ 3.35Å; W495-F600 HydrophobicContact CH2-CZ 3.35Å; W495-F600 AromaticContact CZ2-CE1 3.78Å; W495-F600 HydrophobicContact CZ2-CE1 3.78Å; W495-F600 AromaticContact CZ2-CZ 3.76Å; W495-F600 HydrophobicContact CZ2-CZ 3.76Å; W495-F600 AromaticContact CZ3-CE1 3.97Å; W495-F600 HydrophobicContact CZ3-CE1 3.97Å; W495-F600 HydrophobicContact CZ3-CE2 4.34Å; W495-F600 AromaticContact CZ3-CZ 3.43Å; W495-F600 HydrophobicContact CZ3-CZ 3.43Å; W495-F600 VanDerWaalsContact CZ3-CZ 3.43Å | ||
| 496 | R | 94.7 | Very high | 94.6 | Very high | 173 Ų | 173 | 44.8 Ų | 44.8 | 65% | 0.653 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 127.9 | 179.3 | -165.5 | -176.3 | 177.3 | 124.7 | 2.4 | 111.3 | N494 R498 L538 | N494-R496 PolarHBondContact O-N 2.98Å; R496-R498 PolarHBondContact O-N 3.07Å; R496-L538 CarbonylContact C-O 3.47Å; R496-L538 VanDerWaalsContact CA-O 3.24Å; R496-L538 WeakPolarHBondContact CA-O 3.3Å; R496-L538 HydrophobicContact CB-CD1 3.98Å; R496-L538 HydrophobicContact CG-CD1 4.3Å |
| 497 | H | 95 | Very high | 94.8 | Very high | 118 Ų | 118 | 40 Ų | 40 | 55% | 0.546 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 17.6 | -177.8 | -53.3 | -53.5 | 0 | 0 | 0 | 115.1 | W495 L538 S540 | W495-H497 PolarHBondContact O-N 2.72Å; H497-L538 PolarHBondContact N-O 2.03Å; H497-S540 VanDerWaalsContact O-CB 3.26Å; H497-S540 WeakPolarHBondContact O-CB 3.12Å; H497-S540 PolarHBondContact O-OG 3.02Å |
| 498 | R | 96.8 | Very high | 95.2 | Very high | 63 Ų | 63 | 38 Ų | 38 | 24% | 0.238 | 19% | 0.194 | C | C | . | . | trans | -86.7 | 158.3 | 176.8 | -59.3 | -58.3 | -174.7 | 167.1 | 4.3 | 112.5 | L490 W495 R496 I539 S540 D597 | L490-R498 HydrophobicContact CD1-CG 3.9Å; W495-R498 VanDerWaalsContact O-CB 3.31Å; W495-R498 WeakPolarHBondContact O-CB 3.25Å; W495-R498 WeakPolarHBondContact O-CG 3.42Å; W495-R498 PolarHBondContact O-N 3.33Å; W495-R498 VanDerWaalsContact O-N 3.08Å; R496-R498 PolarHBondContact O-N 3.07Å; R498-I539 WeakPolarHBondContact O-CB 3.01Å; R498-S540 VanDerWaalsContact C-OG 3.28Å; R498-S540 PolarHBondContact O-N 2.96Å; R498-S540 PolarHBondContact O-OG 3.4Å; R498-S540 VanDerWaalsContact O-OG 3.1Å; R498-D597 WeakPolarHBondContact CA-OD2 3.35Å; R498-D597 HydrophobicContact CB-CB 4.28Å | ||
| 499 | R | 97.8 | Very high | 95.6 | Very high | 94 Ų | 94 | 33.5 Ų | 33.5 | 36% | 0.355 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.1 | 174.9 | -69.5 | 171.8 | -63.6 | 166.4 | 13.9 | 109.8 | R541 L565 G595 A596 D597 I598 | R499-R541 WeakPolarHBondContact CA-O 3.34Å; R499-L565 HydrophobicContact CB-CD1 3.68Å; R499-L565 HydrophobicContact CG-CD1 4.2Å; R499-L565 HydrophobicContact CG-CD2 4.44Å; R499-G595 PolarHBondContact NH1-O 2.78Å; R499-G595 PolarHBondContact NH2-O 3.25Å; R499-A596 HydrophobicContact CB-CB 4Å; R499-D597 IonicContact CZ-OD1 3.57Å; R499-D597 PolarHBondContact N-OD2 2.72Å; R499-D597 IonicContact NE-OD1 3.92Å; R499-D597 IonicContact NE-OD2 2.74Å; R499-D597 PolarHBondContact NE-OD2 3.09Å; R499-D597 IonicContact NH2-OD1 2.78Å; R499-D597 PolarHBondContact NH2-OD1 3.45Å; R499-D597 PolarHBondContact O-N 3.34Å; R499-I598 PolarHBondContact O-N 3.29Å |
| 500 | T | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.2 | -171.1 | 69.8 | 0 | 0 | 0 | 0 | 113 | H502 I539 R541 A542 C543 I598 | T500-H502 WeakPolarHBondContact CB-NE2 3.4Å; T500-H502 PolarHBondContact OG1-CD2 2.98Å; T500-H502 PolarHBondContact OG1-NE2 2.66Å; T500-I539 HydrophobicContact CG2-CB 4.37Å; T500-I539 HydrophobicContact CG2-CG2 3.69Å; T500-R541 PolarHBondContact N-O 3.13Å; T500-A542 CarbonylContact O-C 3.27Å; T500-A542 WeakPolarHBondContact O-CA 3.19Å; T500-A542 VanDerWaalsContact O-CB 3.27Å; T500-A542 WeakPolarHBondContact O-CB 3.36Å; T500-A542 WeakPolarHBondContact OG1-CB 3.3Å; T500-C543 PolarHBondContact O-N 3.33Å; T500-I598 CarbonylContact C-O 3.54Å; T500-I598 WeakPolarHBondContact CA-O 3.18Å; T500-I598 HydrophobicContact CG2-CG2 3.53Å |
| 501 | C | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.8 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | A588 C591 L592 A596 I598 A599 F600 | C501-A588 VanDerWaalsContact CB-O 3.26Å; C501-A588 WeakPolarHBondContact CB-O 3.3Å; C501-C591 HydrophobicContact CB-CB 3.5Å; C501-C591 WeakPolarHBondContact CB-SG 3.31Å; C501-C591 WeakPolarHBondContact SG-CB 3.47Å; C501-C591 CovalentContact SG-SG 2.02Å; C501-C591 PolarHBondContact SG-SG 3.27Å; C501-L592 PolarHBondContact SG-N 3.23Å; C501-L592 VanDerWaalsContact SG-N 3.43Å; C501-A596 WeakPolarHBondContact SG-CB 3.31Å; C501-I598 PolarHBondContact N-O 3.07Å; C501-A599 HydrophobicContact CB-CB 3.95Å; C501-A599 CarbonylContact O-C 3.6Å; C501-A599 WeakPolarHBondContact O-CA 3.46Å; C501-F600 WeakPolarHBondContact O-CD2 3.36Å; C501-F600 PolarHBondContact O-N 3.17Å |
| 502 | H | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.3 | -172.3 | -62.1 | -98.8 | 0 | 0 | 0 | 109.7 | T500 G504 G510 F535 C543 I544 P545 F600 | T500-H502 WeakPolarHBondContact CB-NE2 3.4Å; T500-H502 PolarHBondContact OG1-CD2 2.98Å; T500-H502 PolarHBondContact OG1-NE2 2.66Å; H502-G504 PolarHBondContact O-N 3.24Å; H502-G510 VanDerWaalsContact CB-O 3.29Å; H502-G510 WeakPolarHBondContact CB-O 3.44Å; H502-G510 PolarHBondContact ND1-O 3.23Å; H502-F535 AromaticContact CE1-CZ 3.74Å; H502-F535 AromaticContact NE2-CE1 3.99Å; H502-F535 AromaticContact NE2-CZ 3.74Å; H502-C543 PolarHBondContact N-O 2.88Å; H502-I544 HydrophobicContact CB-CB 4.4Å; H502-I544 HydrophobicContact CB-CG1 3.92Å; H502-I544 HydrophobicContact CB-CG2 4.4Å; H502-I544 WeakPolarHBondContact CD2-CG1 3.49Å; H502-P545 WeakPolarHBondContact O-CD 3.48Å; H502-F600 AromaticContact CE1-CD2 3.48Å; H502-F600 VanDerWaalsContact CE1-CD2 3.48Å; H502-F600 WeakPolarHBondContact CE1-CD2 3.44Å; H502-F600 AromaticContact CE1-CE2 3.59Å; H502-F600 AromaticContact ND1-CD2 3.62Å |
| 503 | S | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -68.3 | -17.3 | -179.3 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | G510 Y583 G584 D585 | S503-G510 VanDerWaalsContact OG-CA 3.22Å; S503-G510 WeakPolarHBondContact OG-CA 3.22Å; S503-G510 PolarHBondContact OG-N 2.87Å; S503-Y583 VanDerWaalsContact O-CD2 3.28Å; S503-Y583 WeakPolarHBondContact O-CD2 3.18Å; S503-G584 WeakPolarHBondContact CA-O 3.29Å; S503-G584 VanDerWaalsContact CB-C 3.41Å; S503-G584 WeakPolarHBondContact CB-O 3.45Å; S503-G584 PolarHBondContact O-N 2.8Å; S503-D585 WeakPolarHBondContact CB-OD1 3.04Å; S503-D585 PolarHBondContact OG-OD1 2.97Å |
| 504 | G | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | 158.6 | 150.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | H502 K507 W511 P545 | H502-G504 PolarHBondContact O-N 3.24Å; G504-K507 WeakPolarHBondContact O-CB 3.05Å; G504-K507 PolarHBondContact O-N 3.07Å; G504-W511 WeakPolarHBondContact O-CB 3.4Å; G504-P545 WeakPolarHBondContact CA-O 3.37Å | ||
| 505 | V | 94.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 147.6 | 173 | 81.6 | 0 | 0 | 0 | 0 | 109.2 | K507 W511 I544 P545 I547 Y552 R576 L745 | V505-K507 PolarHBondContact O-N 2.93Å; V505-W511 HydrophobicContact CG2-CD2 3.87Å; V505-W511 HydrophobicContact CG2-CE3 4.29Å; V505-W511 HydrophobicContact CG2-CG 4.32Å; V505-W511 HydrophobicContact CG2-CH2 4.33Å; V505-W511 HydrophobicContact CG2-CZ2 3.89Å; V505-I544 HydrophobicContact CB-CG2 3.84Å; V505-I544 HydrophobicContact CG2-CG2 4.11Å; V505-P545 PolarHBondContact N-O 2.92Å; V505-I547 HydrophobicContact CB-CB 4.47Å; V505-I547 HydrophobicContact CB-CD1 4.44Å; V505-I547 HydrophobicContact CG2-CB 4.32Å; V505-I547 HydrophobicContact CG2-CD1 3.43Å; V505-I547 VanDerWaalsContact CG2-CD1 3.43Å; V505-I547 HydrophobicContact CG2-CG1 4.45Å; V505-Y552 HydrophobicContact CG1-CD1 4Å; V505-Y552 HydrophobicContact CG1-CD2 3.79Å; V505-Y552 HydrophobicContact CG1-CE1 4.41Å; V505-Y552 HydrophobicContact CG1-CE2 4.24Å; V505-Y552 HydrophobicContact CG1-CG 3.68Å; V505-R576 PolarHBondContact O-NE 3.43Å; V505-R576 PolarHBondContact O-NH1 3.21Å; V505-R576 PolarHBondContact O-NH2 3.35Å; V505-L745 HydrophobicContact CB-CD2 4.17Å; V505-L745 HydrophobicContact CG1-CD2 3.93Å; V505-L745 HydrophobicContact CG2-CD1 3.94Å; V505-L745 HydrophobicContact CG2-CD2 3.29Å; V505-L745 HydrophobicContact CG2-CG 4.21Å |
| 506 | G | 92.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -12.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | G452 I512 | G452-G506 WeakPolarHBondContact CA-O 3.12Å; G506-I512 VanDerWaalsContact O-CD1 3.27Å; G506-I512 WeakPolarHBondContact O-CD1 3.39Å |
| 507 | K | 95.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 15.9 Ų | 15.9 | 9% | 0.087 | 7% | 0.07 | C | C | . | . | trans | -69.7 | 148.7 | 175.2 | -68.5 | -166.3 | 156.8 | -170.1 | 0 | 111.4 | E450 G504 V505 W511 I512 Y583 | E450-K507 WeakPolarHBondContact OE1-CA 3.32Å; E450-K507 WeakPolarHBondContact OE1-CB 3.34Å; E450-K507 WeakPolarHBondContact OE2-CB 3.46Å; E450-K507 WeakPolarHBondContact OE2-CD 3.21Å; E450-K507 WeakPolarHBondContact OE2-CE 3.17Å; E450-K507 WeakPolarHBondContact OE2-CG 3.37Å; E450-K507 IonicContact OE2-NZ 2.77Å; G504-K507 WeakPolarHBondContact O-CB 3.05Å; G504-K507 PolarHBondContact O-N 3.07Å; V505-K507 PolarHBondContact O-N 2.93Å; K507-W511 CarbonylContact O-C 3.5Å; K507-W511 WeakPolarHBondContact O-CA 3.24Å; K507-W511 VanDerWaalsContact O-CB 3.27Å; K507-W511 WeakPolarHBondContact O-CB 3.43Å; K507-W511 PolarHBondContact O-N 3.47Å; K507-I512 PolarHBondContact O-N 2.9Å; K507-Y583 WeakPolarHBondContact CE-OH 3.48Å; K507-Y583 PolarHBondContact NZ-OH 3.1Å | ||
| 508 | A | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -63.9 | -61.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E450 A451 I512 I513 I650 F727 | E450-A508 WeakPolarHBondContact OE1-CB 3.47Å; E450-A508 PolarHBondContact OE1-N 3Å; A451-A508 HydrophobicContact CB-CB 4.17Å; A508-I512 PolarHBondContact O-N 2.85Å; A508-I513 WeakPolarHBondContact O-CB 3.48Å; A508-I513 VanDerWaalsContact O-CG1 3.29Å; A508-I513 WeakPolarHBondContact O-CG1 3.23Å; A508-I513 PolarHBondContact O-N 2.78Å; A508-I650 HydrophobicContact CB-CD1 3.84Å; A508-I650 HydrophobicContact CB-CG1 4.25Å; A508-I650 HydrophobicContact CB-CG2 3.58Å; A508-F727 HydrophobicContact CB-CE2 3.57Å; A508-F727 HydrophobicContact CB-CZ 3.59Å |
| 509 | A | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.008 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -67.4 | -41.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y477 A479 P514 F600 I650 | Y477-A509 HydrophobicContact CE2-CB 4.07Å; A479-A509 HydrophobicContact CB-CB 3.82Å; A509-P514 WeakPolarHBondContact O-CD 3.16Å; A509-P514 VanDerWaalsContact O-CG 3.3Å; A509-P514 WeakPolarHBondContact O-CG 3.5Å; A509-F600 WeakPolarHBondContact O-CB 3.1Å; A509-I650 HydrophobicContact CB-CD1 4.29Å |
| 510 | G | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -79.1 | -22.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H502 S503 | H502-G510 VanDerWaalsContact CB-O 3.29Å; H502-G510 WeakPolarHBondContact CB-O 3.44Å; H502-G510 PolarHBondContact ND1-O 3.23Å; S503-G510 VanDerWaalsContact OG-CA 3.22Å; S503-G510 WeakPolarHBondContact OG-CA 3.22Å; S503-G510 PolarHBondContact OG-N 2.87Å |
| 511 | W | 96.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -140.1 | -54.8 | -169 | -179.2 | -102.2 | 0 | 0 | 0 | 114.5 | G504 V505 K507 P514 L515 V532 I544 I547 L745 Y746 | G504-W511 WeakPolarHBondContact O-CB 3.4Å; V505-W511 HydrophobicContact CG2-CD2 3.87Å; V505-W511 HydrophobicContact CG2-CE3 4.29Å; V505-W511 HydrophobicContact CG2-CG 4.32Å; V505-W511 HydrophobicContact CG2-CH2 4.33Å; V505-W511 HydrophobicContact CG2-CZ2 3.89Å; K507-W511 CarbonylContact O-C 3.5Å; K507-W511 WeakPolarHBondContact O-CA 3.24Å; K507-W511 VanDerWaalsContact O-CB 3.27Å; K507-W511 WeakPolarHBondContact O-CB 3.43Å; K507-W511 PolarHBondContact O-N 3.47Å; W511-P514 WeakPolarHBondContact O-CD 3.12Å; W511-L515 HydrophobicContact CD2-CD1 3.97Å; W511-L515 HydrophobicContact CD2-CG 4.46Å; W511-L515 VanDerWaalsContact CE2-CD1 3.44Å; W511-L515 HydrophobicContact CE3-CD1 4.49Å; W511-L515 HydrophobicContact CG-CD1 4.45Å; W511-L515 HydrophobicContact CH2-CD1 4.14Å; W511-L515 HydrophobicContact CZ2-CD1 3.58Å; W511-L515 WeakPolarHBondContact O-CB 3.49Å; W511-L515 WeakPolarHBondContact O-CG 3.41Å; W511-L515 PolarHBondContact O-N 2.8Å; W511-V532 HydrophobicContact CZ2-CG2 4.29Å; W511-I544 HydrophobicContact CE3-CD1 4.5Å; W511-I544 HydrophobicContact CE3-CG1 4.48Å; W511-I544 HydrophobicContact CE3-CG2 3.71Å; W511-I544 HydrophobicContact CH2-CD1 4.5Å; W511-I544 HydrophobicContact CZ3-CD1 3.69Å; W511-I544 HydrophobicContact CZ3-CG1 4.12Å; W511-I544 HydrophobicContact CZ3-CG2 3.75Å; W511-I547 HydrophobicContact CH2-CD1 3.69Å; W511-I547 HydrophobicContact CZ2-CD1 3.94Å; W511-I547 HydrophobicContact CZ3-CD1 4.4Å; W511-L745 HydrophobicContact CZ2-CD1 4.04Å; W511-Y746 PolarHBondContact NE1-OH 2.7Å |
| 512 | I | 96 | Very high | 95.6 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -65.6 | -48 | -174.9 | -64.8 | 159.8 | 0 | 0 | 0 | 111.1 | G506 K507 A508 N516 F727 M730 V731 L734 | G506-I512 VanDerWaalsContact O-CD1 3.27Å; G506-I512 WeakPolarHBondContact O-CD1 3.39Å; K507-I512 PolarHBondContact O-N 2.9Å; A508-I512 PolarHBondContact O-N 2.85Å; I512-N516 PolarHBondContact O-N 2.83Å; I512-N516 VanDerWaalsContact O-N 3.14Å; I512-N516 PolarHBondContact O-ND2 3.31Å; I512-F727 HydrophobicContact CD1-CE1 4.43Å; I512-F727 HydrophobicContact CD1-CE2 4.49Å; I512-F727 HydrophobicContact CD1-CZ 3.72Å; I512-F727 HydrophobicContact CG2-CE2 4.28Å; I512-F727 HydrophobicContact CG2-CZ 4.44Å; I512-M730 HydrophobicContact CG2-CB 4.17Å; I512-V731 HydrophobicContact CD1-CG2 3.86Å; I512-V731 HydrophobicContact CG1-CG2 4.45Å; I512-V731 HydrophobicContact CG2-CG2 3.98Å; I512-L734 HydrophobicContact CB-CD1 4.37Å; I512-L734 HydrophobicContact CG1-CD1 4.5Å; I512-L734 HydrophobicContact CG2-CD1 4.12Å |
| 513 | I | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.9 | -46.6 | 179.3 | -63.4 | -58.8 | 0 | 0 | 0 | 111.7 | A479 A508 L515 N516 T517 L647 I650 M730 | A479-I513 HydrophobicContact CB-CB 4.33Å; A479-I513 HydrophobicContact CB-CG1 4.2Å; A479-I513 HydrophobicContact CB-CG2 4.14Å; A508-I513 WeakPolarHBondContact O-CB 3.48Å; A508-I513 VanDerWaalsContact O-CG1 3.29Å; A508-I513 WeakPolarHBondContact O-CG1 3.23Å; A508-I513 PolarHBondContact O-N 2.78Å; I513-L515 PolarHBondContact O-N 2.68Å; I513-N516 PolarHBondContact O-N 3.25Å; I513-T517 WeakPolarHBondContact O-CB 3.36Å; I513-T517 PolarHBondContact O-N 3.43Å; I513-T517 PolarHBondContact O-OG1 3.13Å; I513-L647 HydrophobicContact CG2-CB 3.41Å; I513-L647 VanDerWaalsContact CG2-CB 3.41Å; I513-L647 HydrophobicContact CG2-CD1 4.24Å; I513-L647 HydrophobicContact CG2-CG 4.49Å; I513-I650 HydrophobicContact CG1-CD1 4.02Å; I513-I650 HydrophobicContact CG1-CG1 4.41Å; I513-M730 HydrophobicContact CD1-CE 4.16Å; I513-M730 HydrophobicContact CD1-SD 3.43Å; I513-M730 WeakPolarHBondContact CD1-SD 3.27Å |
| 514 | P | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 175.8 | -29.5 | 37 | 0 | 0 | 0 | 113.7 | W495 A509 W511 T517 V518 F600 | W495-P514 HydrophobicContact CZ3-CB 4.42Å; A509-P514 WeakPolarHBondContact O-CD 3.16Å; A509-P514 VanDerWaalsContact O-CG 3.3Å; A509-P514 WeakPolarHBondContact O-CG 3.5Å; W511-P514 WeakPolarHBondContact O-CD 3.12Å; P514-T517 WeakPolarHBondContact O-CB 3.36Å; P514-T517 PolarHBondContact O-N 3.33Å; P514-V518 WeakPolarHBondContact O-CG2 3.33Å; P514-V518 PolarHBondContact O-N 2.65Å; P514-F600 HydrophobicContact CB-CD1 3.98Å; P514-F600 HydrophobicContact CB-CD2 4.12Å; P514-F600 HydrophobicContact CB-CE1 4.01Å; P514-F600 HydrophobicContact CB-CE2 4.17Å; P514-F600 HydrophobicContact CB-CG 4.02Å; P514-F600 HydrophobicContact CB-CZ 4.11Å; P514-F600 HydrophobicContact CG-CB 3.65Å; P514-F600 HydrophobicContact CG-CD1 3.5Å; P514-F600 HydrophobicContact CG-CD2 3.91Å; P514-F600 HydrophobicContact CG-CE1 4.06Å; P514-F600 HydrophobicContact CG-CE2 4.43Å; P514-F600 HydrophobicContact CG-CG 3.4Å; P514-F600 VanDerWaalsContact CG-CG 3.4Å; P514-F600 HydrophobicContact CG-CZ 4.5Å |
| 515 | L | 95.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 178.7 | -75.2 | -179 | 0 | 0 | 0 | 112.7 | W511 I513 T517 V518 L519 L531 F535 L734 | W511-L515 HydrophobicContact CD2-CD1 3.97Å; W511-L515 HydrophobicContact CD2-CG 4.46Å; W511-L515 VanDerWaalsContact CE2-CD1 3.44Å; W511-L515 HydrophobicContact CE3-CD1 4.49Å; W511-L515 HydrophobicContact CG-CD1 4.45Å; W511-L515 HydrophobicContact CH2-CD1 4.14Å; W511-L515 HydrophobicContact CZ2-CD1 3.58Å; W511-L515 WeakPolarHBondContact O-CB 3.49Å; W511-L515 WeakPolarHBondContact O-CG 3.41Å; W511-L515 PolarHBondContact O-N 2.8Å; I513-L515 PolarHBondContact O-N 2.68Å; L515-T517 VanDerWaalsContact C-N 3.28Å; L515-T517 PolarHBondContact O-N 3.47Å; L515-V518 PolarHBondContact O-N 3.43Å; L515-L519 VanDerWaalsContact O-CG 3.31Å; L515-L519 WeakPolarHBondContact O-CG 3.35Å; L515-L519 PolarHBondContact O-N 3.1Å; L515-L519 VanDerWaalsContact O-N 3.12Å; L515-L531 HydrophobicContact CD1-CD2 4.19Å; L515-F535 HydrophobicContact CD2-CB 4.05Å; L515-F535 HydrophobicContact CD2-CD1 4.46Å; L515-F535 HydrophobicContact CD2-CD2 3.62Å; L515-F535 HydrophobicContact CD2-CE2 4.2Å; L515-F535 HydrophobicContact CD2-CG 3.77Å; L515-L734 HydrophobicContact CB-CD1 3.92Å; L515-L734 HydrophobicContact CB-CD2 3.73Å; L515-L734 HydrophobicContact CD1-CD1 4.09Å |
| 516 | N | 95.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 173 | -80.3 | -84.5 | 0 | 0 | 0 | 111 | I512 I513 V518 L519 D520 M730 N733 L734 | I512-N516 PolarHBondContact O-N 2.83Å; I512-N516 VanDerWaalsContact O-N 3.14Å; I512-N516 PolarHBondContact O-ND2 3.31Å; I513-N516 PolarHBondContact O-N 3.25Å; N516-V518 PolarHBondContact O-N 3.06Å; N516-L519 PolarHBondContact O-N 2.84Å; N516-D520 WeakPolarHBondContact O-CB 3.37Å; N516-D520 PolarHBondContact O-N 3.21Å; N516-M730 PolarHBondContact ND2-O 2.03Å; N516-M730 PolarHBondContact OD1-O 3.44Å; N516-N733 PolarHBondContact OD1-ND2 3.37Å; N516-L734 WeakPolarHBondContact ND2-CG 3.42Å |
| 517 | T | 95.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | I492 W495 I513 P514 L515 L519 D520 T521 | I492-T517 HydrophobicContact CD1-CG2 3.96Å; I492-T517 HydrophobicContact CG1-CG2 3.72Å; W495-T517 HydrophobicContact CH2-CG2 3.68Å; W495-T517 HydrophobicContact CZ2-CG2 3.89Å; I513-T517 WeakPolarHBondContact O-CB 3.36Å; I513-T517 PolarHBondContact O-N 3.43Å; I513-T517 PolarHBondContact O-OG1 3.13Å; P514-T517 WeakPolarHBondContact O-CB 3.36Å; P514-T517 PolarHBondContact O-N 3.33Å; L515-T517 VanDerWaalsContact C-N 3.28Å; L515-T517 PolarHBondContact O-N 3.47Å; T517-L519 VanDerWaalsContact C-N 3.31Å; T517-L519 PolarHBondContact O-N 3.48Å; T517-D520 PolarHBondContact O-N 2.9Å; T517-T521 WeakPolarHBondContact O-CB 3.36Å; T517-T521 WeakPolarHBondContact O-CG2 3.45Å; T517-T521 PolarHBondContact O-N 3.25Å; T517-T521 PolarHBondContact O-OG1 2.98Å |
| 518 | V | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 175.2 | 166.3 | 0 | 0 | 0 | 0 | 112 | W495 P514 L515 N516 T521 S522 Q523 V524 F535 L538 | W495-V518 HydrophobicContact CD2-CG2 4.5Å; W495-V518 HydrophobicContact CE3-CG2 3.37Å; W495-V518 HydrophobicContact CH2-CG2 4.27Å; W495-V518 HydrophobicContact CZ3-CG2 3.26Å; P514-V518 WeakPolarHBondContact O-CG2 3.33Å; P514-V518 PolarHBondContact O-N 2.65Å; L515-V518 PolarHBondContact O-N 3.43Å; N516-V518 PolarHBondContact O-N 3.06Å; V518-T521 PolarHBondContact O-OG1 3.4Å; V518-S522 PolarHBondContact O-N 3.47Å; V518-Q523 HydrophobicContact CG1-CB 4.16Å; V518-Q523 PolarHBondContact O-N 3.26Å; V518-V524 HydrophobicContact CG1-CB 4.21Å; V518-V524 HydrophobicContact CG1-CG1 3.75Å; V518-V524 HydrophobicContact CG1-CG2 3.54Å; V518-F535 HydrophobicContact CG2-CD2 4.17Å; V518-F535 HydrophobicContact CG2-CE2 3.95Å; V518-L538 HydrophobicContact CG1-CD2 3.99Å; V518-L538 HydrophobicContact CG2-CD2 4.1Å |
| 519 | L | 93.9 | Very high | 93.1 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.2 | -47 | 179.4 | -66.7 | 167.2 | 0 | 0 | 0 | 111.5 | L515 N516 T517 T521 S522 V524 V526 L531 L734 I737 | L515-L519 VanDerWaalsContact O-CG 3.31Å; L515-L519 WeakPolarHBondContact O-CG 3.35Å; L515-L519 PolarHBondContact O-N 3.1Å; L515-L519 VanDerWaalsContact O-N 3.12Å; N516-L519 PolarHBondContact O-N 2.84Å; T517-L519 VanDerWaalsContact C-N 3.31Å; T517-L519 PolarHBondContact O-N 3.48Å; L519-T521 VanDerWaalsContact C-N 3.25Å; L519-T521 PolarHBondContact O-N 2.83Å; L519-S522 WeakPolarHBondContact O-CA 3.28Å; L519-S522 PolarHBondContact O-N 3.46Å; L519-V524 HydrophobicContact CD2-CG2 4.28Å; L519-V526 HydrophobicContact CD2-CG2 4.12Å; L519-L531 HydrophobicContact CD2-CD1 4.25Å; L519-L734 HydrophobicContact CD1-CD2 3.55Å; L519-I737 HydrophobicContact CD1-CD1 3.53Å; L519-I737 HydrophobicContact CD2-CD1 4.16Å; L519-I737 HydrophobicContact CG-CD1 4.41Å |
| 520 | D | 93.6 | Very high | 92.6 | Very high | 122 Ų | 122 | 44 Ų | 44 | 65% | 0.652 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.3 | -35.4 | 179.8 | -70.6 | -16.5 | 0 | 0 | 0 | 111.7 | N516 T517 S522 | N516-D520 WeakPolarHBondContact O-CB 3.37Å; N516-D520 PolarHBondContact O-N 3.21Å; T517-D520 PolarHBondContact O-N 2.9Å; D520-S522 VanDerWaalsContact C-N 3.3Å |
| 521 | T | 94.5 | Very high | 92.3 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 27% | 0.27 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.4 | 175.4 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | T517 V518 L519 Q523 | T517-T521 WeakPolarHBondContact O-CB 3.36Å; T517-T521 WeakPolarHBondContact O-CG2 3.45Å; T517-T521 PolarHBondContact O-N 3.25Å; T517-T521 PolarHBondContact O-OG1 2.98Å; V518-T521 PolarHBondContact O-OG1 3.4Å; L519-T521 VanDerWaalsContact C-N 3.25Å; L519-T521 PolarHBondContact O-N 2.83Å; T521-Q523 PolarHBondContact O-N 2.82Å; T521-Q523 WeakPolarHBondContact OG1-CG 3.34Å; T521-Q523 PolarHBondContact OG1-NE2 3.26Å |
| 522 | S | 94.3 | Very high | 92 | Very high | 102 Ų | 102 | 44.3 Ų | 44.3 | 71% | 0.713 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.6 | 177.8 | -60 | 0 | 0 | 0 | 0 | 114.2 | V518 L519 D520 V524 | V518-S522 PolarHBondContact O-N 3.47Å; L519-S522 WeakPolarHBondContact O-CA 3.28Å; L519-S522 PolarHBondContact O-N 3.46Å; D520-S522 VanDerWaalsContact C-N 3.3Å; S522-V524 VanDerWaalsContact C-N 3.33Å |
| 523 | Q | 94.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | trans | -77.7 | -18.7 | -178 | -71.7 | -176.4 | 77.4 | 0 | 0 | 113.4 | I492 S493 V518 T521 L538 | I492-Q523 PolarHBondContact O-NE2 2.89Å; S493-Q523 VanDerWaalsContact C-OE1 3.26Å; S493-Q523 WeakPolarHBondContact O-CG 3.18Å; S493-Q523 PolarHBondContact O-OE1 3.21Å; V518-Q523 HydrophobicContact CG1-CB 4.16Å; V518-Q523 PolarHBondContact O-N 3.26Å; T521-Q523 PolarHBondContact O-N 2.82Å; T521-Q523 WeakPolarHBondContact OG1-CG 3.34Å; T521-Q523 PolarHBondContact OG1-NE2 3.26Å; Q523-L538 HydrophobicContact CB-CD1 4.2Å; Q523-L538 HydrophobicContact CB-CD2 4.09Å | ||
| 524 | V | 92.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | trans | -132.5 | 153.7 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | V518 L519 S522 V526 A534 L538 | V518-V524 HydrophobicContact CG1-CB 4.21Å; V518-V524 HydrophobicContact CG1-CG1 3.75Å; V518-V524 HydrophobicContact CG1-CG2 3.54Å; L519-V524 HydrophobicContact CD2-CG2 4.28Å; S522-V524 VanDerWaalsContact C-N 3.33Å; V524-V526 HydrophobicContact CG2-CG2 4.2Å; V524-A534 HydrophobicContact CB-CB 4.44Å; V524-L538 HydrophobicContact CG1-CB 3.63Å; V524-L538 HydrophobicContact CG1-CD1 4.19Å; V524-L538 HydrophobicContact CG1-CD2 3.76Å; V524-L538 HydrophobicContact CG1-CG 4.05Å | ||
| 525 | I | 89.3 | Confident | 91.4 | Very high | 142 Ų | 142 | 48.9 Ų | 48.9 | 73% | 0.728 | 27% | 0.27 | S | S | * | . | trans | -109.1 | 119.1 | 167 | -59.9 | 171.6 | 0 | 0 | 0 | 106.7 | L527 | I525-L527 HydrophobicContact CG2-CD2 4.01Å; I525-L527 HydrophobicContact CG2-CG 4.38Å | ||
| 526 | V | 87.9 | Confident | 91.4 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | trans | -88.5 | 115.4 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 109 | L519 V524 L531 A534 I737 | L519-V526 HydrophobicContact CD2-CG2 4.12Å; V524-V526 HydrophobicContact CG2-CG2 4.2Å; V526-L531 HydrophobicContact CG1-CB 4.24Å; V526-L531 HydrophobicContact CG2-CD1 3.68Å; V526-A534 HydrophobicContact CG2-CB 4.34Å; V526-I737 HydrophobicContact CB-CG2 3.87Å; V526-I737 HydrophobicContact CG1-CG2 3.79Å; V526-I737 HydrophobicContact CG2-CG2 3.74Å | ||
| 527 | L | 85.9 | Confident | 91.3 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 63% | 0.634 | 30% | 0.297 | S | S | * | . | trans | -101.9 | 136.3 | 177 | -61.5 | 175 | 0 | 0 | 0 | 109.7 | I525 G529 H530 | I525-L527 HydrophobicContact CG2-CD2 4.01Å; I525-L527 HydrophobicContact CG2-CG 4.38Å; L527-G529 PolarHBondContact O-N 2.9Å; L527-H530 WeakPolarHBondContact O-CB 3.15Å; L527-H530 PolarHBondContact O-N 3.26Å | ||
| 528 | D | 84.2 | Confident | 91.3 | Very high | 139 Ų | 139 | 54.4 Ų | 54.4 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 24.5 | 177.2 | -57.7 | -40.2 | 0 | 0 | 0 | 115.4 | N739 | D528-N739 PolarHBondContact O-ND2 2.92Š|
| 529 | G | 82.9 | Confident | 91.4 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 19.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | L527 L531 I737 S738 N739 | L527-G529 PolarHBondContact O-N 2.9Å; G529-L531 VanDerWaalsContact C-N 3.26Å; G529-L531 PolarHBondContact O-N 2.92Å; G529-I737 WeakPolarHBondContact CA-O 3.45Å; G529-S738 CarbonylContact O-C 3.3Å; G529-S738 WeakPolarHBondContact O-CA 3.5Å; G529-N739 PolarHBondContact O-N 3.1Å |
| 530 | H | 86.9 | Confident | 91.5 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 38% | 0.384 | 30% | 0.304 | S | S | . | . | trans | -81.8 | 62.3 | 177.9 | -72.1 | -66.3 | 0 | 0 | 0 | 112.7 | L527 H533 A534 E742 | L527-H530 WeakPolarHBondContact O-CB 3.15Å; L527-H530 PolarHBondContact O-N 3.26Å; H530-H533 HydrophobicContact CB-CB 4.09Å; H530-A534 WeakPolarHBondContact O-CB 3.44Å; H530-A534 PolarHBondContact O-N 2.86Å; H530-E742 VanDerWaalsContact CA-OE1 3.27Å; H530-E742 WeakPolarHBondContact CA-OE1 3.19Å; H530-E742 VanDerWaalsContact CA-OE2 3.3Å; H530-E742 WeakPolarHBondContact CA-OE2 3.35Å; H530-E742 WeakPolarHBondContact CB-OE1 3.21Å; H530-E742 IonicContact CE1-OE1 3.9Å; H530-E742 IonicContact CG-OE1 2.99Å; H530-E742 IonicContact ND1-OE1 3.04Å; H530-E742 PolarHBondContact ND1-OE1 3.24Å | ||
| 531 | L | 90.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | -175.9 | 176 | 63 | 0 | 0 | 0 | 112.4 | L515 L519 V526 G529 H533 A534 F535 L734 I737 S738 E742 | L515-L531 HydrophobicContact CD1-CD2 4.19Å; L519-L531 HydrophobicContact CD2-CD1 4.25Å; V526-L531 HydrophobicContact CG1-CB 4.24Å; V526-L531 HydrophobicContact CG2-CD1 3.68Å; G529-L531 VanDerWaalsContact C-N 3.26Å; G529-L531 PolarHBondContact O-N 2.92Å; L531-H533 VanDerWaalsContact C-N 3.33Å; L531-A534 PolarHBondContact O-N 2.89Å; L531-F535 WeakPolarHBondContact O-CB 3.45Å; L531-F535 PolarHBondContact O-N 3.13Å; L531-L734 HydrophobicContact CD2-CB 4.32Å; L531-L734 HydrophobicContact CD2-CD2 4.02Å; L531-I737 HydrophobicContact CB-CG2 4.46Å; L531-I737 HydrophobicContact CD1-CG2 4.27Å; L531-S738 WeakPolarHBondContact CB-OG 3.44Å; L531-S738 VanDerWaalsContact CD2-OG 3.26Å; L531-S738 WeakPolarHBondContact CD2-OG 3.38Å; L531-E742 PolarHBondContact N-OE2 3.45Å |
| 532 | V | 90.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | -176.8 | 178.4 | 0 | 0 | 0 | 0 | 110 | W511 F535 G536 I547 L562 E742 L745 | W511-V532 HydrophobicContact CZ2-CG2 4.29Å; V532-F535 PolarHBondContact O-N 3.34Å; V532-G536 PolarHBondContact O-N 2.98Å; V532-I547 HydrophobicContact CG1-CD1 4.01Å; V532-I547 HydrophobicContact CG1-CG1 4.44Å; V532-L562 HydrophobicContact CG1-CD1 3.59Å; V532-E742 PolarHBondContact N-OE2 3.48Å; V532-L745 HydrophobicContact CG2-CD1 4.23Å |
| 533 | H | 90.3 | Very high | 92 | Very high | 88 Ų | 88 | 48.2 Ų | 48.2 | 41% | 0.407 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 174 | -176.2 | -78.2 | 0 | 0 | 0 | 111.8 | H530 L531 F535 G536 E537 | H530-H533 HydrophobicContact CB-CB 4.09Å; L531-H533 VanDerWaalsContact C-N 3.33Å; H533-F535 VanDerWaalsContact C-N 3.29Å; H533-F535 PolarHBondContact O-N 2.96Å; H533-G536 CarbonylContact O-C 3.6Å; H533-G536 WeakPolarHBondContact O-CA 3.27Å; H533-G536 PolarHBondContact O-N 3.01Å; H533-G536 VanDerWaalsContact O-N 3.08Å; H533-E537 PolarHBondContact O-N 3.14Å |
| 534 | A | 92.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 12% | 0.116 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V524 V526 H530 L531 E537 L538 | V524-A534 HydrophobicContact CB-CB 4.44Å; V526-A534 HydrophobicContact CG2-CB 4.34Å; H530-A534 WeakPolarHBondContact O-CB 3.44Å; H530-A534 PolarHBondContact O-N 2.86Å; L531-A534 PolarHBondContact O-N 2.89Å; A534-E537 PolarHBondContact O-N 2.83Å; A534-L538 PolarHBondContact O-N 2.89Å |
| 535 | F | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 171.6 | -175.9 | -102.6 | 0 | 0 | 0 | 111.3 | H502 L515 V518 L531 V532 H533 E537 L538 I539 I544 L562 | H502-F535 AromaticContact CE1-CZ 3.74Å; H502-F535 AromaticContact NE2-CE1 3.99Å; H502-F535 AromaticContact NE2-CZ 3.74Å; L515-F535 HydrophobicContact CD2-CB 4.05Å; L515-F535 HydrophobicContact CD2-CD1 4.46Å; L515-F535 HydrophobicContact CD2-CD2 3.62Å; L515-F535 HydrophobicContact CD2-CE2 4.2Å; L515-F535 HydrophobicContact CD2-CG 3.77Å; V518-F535 HydrophobicContact CG2-CD2 4.17Å; V518-F535 HydrophobicContact CG2-CE2 3.95Å; L531-F535 WeakPolarHBondContact O-CB 3.45Å; L531-F535 PolarHBondContact O-N 3.13Å; V532-F535 PolarHBondContact O-N 3.34Å; H533-F535 VanDerWaalsContact C-N 3.29Å; H533-F535 PolarHBondContact O-N 2.96Å; F535-E537 VanDerWaalsContact C-N 3.27Å; F535-E537 PolarHBondContact O-N 3.4Å; F535-L538 WeakPolarHBondContact O-CB 3.47Å; F535-L538 PolarHBondContact O-N 3.49Å; F535-L538 VanDerWaalsContact O-N 3.09Å; F535-I539 HydrophobicContact CD1-CD1 4.34Å; F535-I539 HydrophobicContact CE1-CD1 3.8Å; F535-I539 HydrophobicContact CE1-CG1 4.4Å; F535-I539 HydrophobicContact CE2-CG2 4.31Å; F535-I539 HydrophobicContact CZ-CD1 4.35Å; F535-I539 HydrophobicContact CZ-CG2 4.1Å; F535-I539 WeakPolarHBondContact O-CG1 3.04Å; F535-I539 PolarHBondContact O-N 3.05Å; F535-I544 HydrophobicContact CE1-CD1 4.07Å; F535-L562 HydrophobicContact CD1-CD2 4.12Å; F535-L562 HydrophobicContact CE1-CD2 4.49Å |
| 536 | G | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -31.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V532 H533 N561 | V532-G536 PolarHBondContact O-N 2.98Å; H533-G536 CarbonylContact O-C 3.6Å; H533-G536 WeakPolarHBondContact O-CA 3.27Å; H533-G536 PolarHBondContact O-N 3.01Å; H533-G536 VanDerWaalsContact O-N 3.08Å; G536-N561 PolarHBondContact O-ND2 3.44Å |
| 537 | E | 94.3 | Very high | 92.6 | Very high | 128 Ų | 128 | 37 Ų | 37 | 60% | 0.598 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -77.4 | -26.4 | 174.4 | -72.2 | -65.7 | 122.8 | 0 | 0 | 113.3 | H533 A534 F535 | H533-E537 PolarHBondContact O-N 3.14Å; A534-E537 PolarHBondContact O-N 2.83Å; F535-E537 VanDerWaalsContact C-N 3.27Å; F535-E537 PolarHBondContact O-N 3.4Å |
| 538 | L | 95.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.8 | -52.3 | 175.8 | 175.4 | 65.9 | 0 | 0 | 0 | 110.7 | W495 R496 H497 V518 Q523 V524 A534 F535 | W495-L538 HydrophobicContact CB-CD2 4.27Å; R496-L538 CarbonylContact C-O 3.47Å; R496-L538 VanDerWaalsContact CA-O 3.24Å; R496-L538 WeakPolarHBondContact CA-O 3.3Å; R496-L538 HydrophobicContact CB-CD1 3.98Å; R496-L538 HydrophobicContact CG-CD1 4.3Å; H497-L538 PolarHBondContact N-O 2.03Å; V518-L538 HydrophobicContact CG1-CD2 3.99Å; V518-L538 HydrophobicContact CG2-CD2 4.1Å; Q523-L538 HydrophobicContact CB-CD1 4.2Å; Q523-L538 HydrophobicContact CB-CD2 4.09Å; V524-L538 HydrophobicContact CG1-CB 3.63Å; V524-L538 HydrophobicContact CG1-CD1 4.19Å; V524-L538 HydrophobicContact CG1-CD2 3.76Å; V524-L538 HydrophobicContact CG1-CG 4.05Å; A534-L538 PolarHBondContact O-N 2.89Å; F535-L538 WeakPolarHBondContact O-CB 3.47Å; F535-L538 PolarHBondContact O-N 3.49Å; F535-L538 VanDerWaalsContact O-N 3.09Å |
| 539 | I | 96.7 | Very high | 93 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -88 | 163.8 | -172.1 | 61.4 | 160.4 | 0 | 0 | 0 | 111.5 | R498 T500 F535 A542 L562 | R498-I539 WeakPolarHBondContact O-CB 3.01Å; T500-I539 HydrophobicContact CG2-CB 4.37Å; T500-I539 HydrophobicContact CG2-CG2 3.69Å; F535-I539 HydrophobicContact CD1-CD1 4.34Å; F535-I539 HydrophobicContact CE1-CD1 3.8Å; F535-I539 HydrophobicContact CE1-CG1 4.4Å; F535-I539 HydrophobicContact CE2-CG2 4.31Å; F535-I539 HydrophobicContact CZ-CD1 4.35Å; F535-I539 HydrophobicContact CZ-CG2 4.1Å; F535-I539 WeakPolarHBondContact O-CG1 3.04Å; F535-I539 PolarHBondContact O-N 3.05Å; I539-A542 HydrophobicContact CD1-CB 3.41Å; I539-A542 VanDerWaalsContact CD1-CB 3.41Å; I539-L562 HydrophobicContact CD1-CD2 3.93Å |
| 540 | S | 96.5 | Very high | 93.1 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 32% | 0.322 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -82.5 | -57.3 | 173.5 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | H497 R498 N561 | H497-S540 VanDerWaalsContact O-CB 3.26Å; H497-S540 WeakPolarHBondContact O-CB 3.12Å; H497-S540 PolarHBondContact O-OG 3.02Å; R498-S540 VanDerWaalsContact C-OG 3.28Å; R498-S540 PolarHBondContact O-N 2.96Å; R498-S540 PolarHBondContact O-OG 3.4Å; R498-S540 VanDerWaalsContact O-OG 3.1Å; S540-N561 PolarHBondContact O-ND2 2.92Å; S540-N561 VanDerWaalsContact O-ND2 3.15Å |
| 541 | R | 96.9 | Very high | 92.8 | Very high | 117 Ų | 117 | 35 Ų | 35 | 44% | 0.442 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 152.1 | 179.8 | -58.1 | -179.5 | 169 | 165.6 | -9 | 109.6 | R499 T500 N561 E564 L565 | R499-R541 WeakPolarHBondContact CA-O 3.34Å; T500-R541 PolarHBondContact N-O 3.13Å; R541-N561 CarbonylContact C-O 3.59Å; R541-N561 WeakPolarHBondContact CA-O 3.29Å; R541-E564 HydrophobicContact CB-CB 4.38Å; R541-E564 WeakPolarHBondContact CD-OE2 3.33Å; R541-E564 HydrophobicContact CG-CB 4.36Å; R541-E564 HydrophobicContact CG-CG 4.46Å; R541-E564 WeakPolarHBondContact CG-OE2 3.45Å; R541-E564 IonicContact CZ-OE1 3.36Å; R541-E564 IonicContact CZ-OE2 2.75Å; R541-E564 IonicContact NE-OE1 3.09Å; R541-E564 PolarHBondContact NE-OE1 3.22Å; R541-E564 IonicContact NE-OE2 2.92Å; R541-E564 PolarHBondContact NE-OE2 3.2Å; R541-E564 IonicContact NH1-OE1 3.92Å; R541-E564 IonicContact NH2-OE1 2.69Å; R541-E564 PolarHBondContact NH2-OE1 2.86Å; R541-L565 HydrophobicContact CB-CD1 4.2Å; R541-L565 HydrophobicContact CB-CD2 3.84Å; R541-L565 HydrophobicContact CB-CG 3.71Å; R541-L565 WeakPolarHBondContact O-CD1 3.4Å |
| 542 | A | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 167.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T500 I539 I544 N561 L562 C563 E564 L565 | T500-A542 CarbonylContact O-C 3.27Å; T500-A542 WeakPolarHBondContact O-CA 3.19Å; T500-A542 VanDerWaalsContact O-CB 3.27Å; T500-A542 WeakPolarHBondContact O-CB 3.36Å; T500-A542 WeakPolarHBondContact OG1-CB 3.3Å; I539-A542 HydrophobicContact CD1-CB 3.41Å; I539-A542 VanDerWaalsContact CD1-CB 3.41Å; A542-I544 HydrophobicContact CB-CD1 3.88Å; A542-I544 HydrophobicContact CB-CG1 4.05Å; A542-N561 PolarHBondContact N-O 3.19Å; A542-L562 CarbonylContact C-O 3.31Å; A542-L562 CarbonylContact O-C 3.32Å; A542-C563 CarbonylContact O-C 3.4Å; A542-C563 VanDerWaalsContact O-C 3.3Å; A542-C563 WeakPolarHBondContact O-CA 3.34Å; A542-C563 PolarHBondContact O-N 3.29Å; A542-E564 PolarHBondContact O-N 2.76Å; A542-E564 VanDerWaalsContact O-N 3.14Å; A542-L565 WeakPolarHBondContact O-CB 3.49Å; A542-L565 PolarHBondContact O-N 2.58Å |
| 543 | C | 97.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 112.2 | 152.7 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | T500 H502 L565 C566 Y582 | T500-C543 PolarHBondContact O-N 3.33Å; H502-C543 PolarHBondContact N-O 2.88Å; C543-L565 HydrophobicContact CB-CB 4.06Å; C543-C566 WeakPolarHBondContact CA-SG 3.23Å; C543-C566 HydrophobicContact CB-CB 4Å; C543-C566 WeakPolarHBondContact CB-SG 3.35Å; C543-C566 WeakPolarHBondContact SG-CA 3.49Å; C543-C566 WeakPolarHBondContact SG-CB 3.41Å; C543-C566 CovalentContact SG-SG 2.04Å; C543-C566 PolarHBondContact SG-SG 3.11Å; C543-Y582 HydrophobicContact CB-CD2 4.16Å |
| 544 | I | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -123.3 | 87.9 | 174.4 | -57.5 | 147.5 | 0 | 0 | 0 | 109 | H502 V505 W511 F535 A542 G546 I547 L562 C574 | H502-I544 HydrophobicContact CB-CB 4.4Å; H502-I544 HydrophobicContact CB-CG1 3.92Å; H502-I544 HydrophobicContact CB-CG2 4.4Å; H502-I544 WeakPolarHBondContact CD2-CG1 3.49Å; V505-I544 HydrophobicContact CB-CG2 3.84Å; V505-I544 HydrophobicContact CG2-CG2 4.11Å; W511-I544 HydrophobicContact CE3-CD1 4.5Å; W511-I544 HydrophobicContact CE3-CG1 4.48Å; W511-I544 HydrophobicContact CE3-CG2 3.71Å; W511-I544 HydrophobicContact CH2-CD1 4.5Å; W511-I544 HydrophobicContact CZ3-CD1 3.69Å; W511-I544 HydrophobicContact CZ3-CG1 4.12Å; W511-I544 HydrophobicContact CZ3-CG2 3.75Å; F535-I544 HydrophobicContact CE1-CD1 4.07Å; A542-I544 HydrophobicContact CB-CD1 3.88Å; A542-I544 HydrophobicContact CB-CG1 4.05Å; I544-G546 PolarHBondContact O-N 3.08Å; I544-G546 VanDerWaalsContact O-N 3.16Å; I544-I547 HydrophobicContact CB-CB 4.03Å; I544-I547 HydrophobicContact CB-CG2 4.01Å; I544-I547 HydrophobicContact CG2-CB 3.87Å; I544-I547 HydrophobicContact CG2-CG1 4.46Å; I544-I547 HydrophobicContact CG2-CG2 4.41Å; I544-I547 WeakPolarHBondContact O-CB 3.2Å; I544-I547 VanDerWaalsContact O-CG2 3.23Å; I544-I547 WeakPolarHBondContact O-CG2 3.39Å; I544-I547 PolarHBondContact O-N 2.71Å; I544-L562 HydrophobicContact CD1-CB 3.9Å; I544-L562 HydrophobicContact CD1-CD2 3.84Å; I544-L562 HydrophobicContact CD1-CG 4.32Å; I544-L562 PolarHBondContact N-O 3.18Å; I544-C574 PolarHBondContact O-SG 2.58Å | ||
| 545 | P | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 120.6 | 179.5 | -28.4 | 34.2 | 0 | 0 | 0 | 112.7 | H502 G504 V505 R575 E580 Y583 | H502-P545 WeakPolarHBondContact O-CD 3.48Å; G504-P545 WeakPolarHBondContact CA-O 3.37Å; V505-P545 PolarHBondContact N-O 2.92Å; P545-R575 VanDerWaalsContact CB-O 3.26Å; P545-R575 WeakPolarHBondContact CB-O 3.5Å; P545-E580 HydrophobicContact CG-CG 4.41Å; P545-Y583 HydrophobicContact CB-CD2 3.66Å; P545-Y583 HydrophobicContact CB-CG 4.4Å; P545-Y583 HydrophobicContact CG-CD2 4.21Å |
| 546 | G | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -8.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | I544 L548 N549 Y552 C574 | I544-G546 PolarHBondContact O-N 3.08Å; I544-G546 VanDerWaalsContact O-N 3.16Å; G546-L548 PolarHBondContact O-N 3.26Å; G546-N549 WeakPolarHBondContact O-CB 3.11Å; G546-N549 PolarHBondContact O-N 2.95Å; G546-Y552 WeakPolarHBondContact O-CD2 3.17Å; G546-C574 WeakPolarHBondContact CA-O 3.39Å; G546-C574 PolarHBondContact N-O 2.98Å |
| 547 | I | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23 | -173.4 | -167.6 | 63 | 0 | 0 | 0 | 113.4 | V505 W511 V532 I544 D553 N558 L562 C563 L745 | V505-I547 HydrophobicContact CB-CB 4.47Å; V505-I547 HydrophobicContact CB-CD1 4.44Å; V505-I547 HydrophobicContact CG2-CB 4.32Å; V505-I547 HydrophobicContact CG2-CD1 3.43Å; V505-I547 VanDerWaalsContact CG2-CD1 3.43Å; V505-I547 HydrophobicContact CG2-CG1 4.45Å; W511-I547 HydrophobicContact CH2-CD1 3.69Å; W511-I547 HydrophobicContact CZ2-CD1 3.94Å; W511-I547 HydrophobicContact CZ3-CD1 4.4Å; V532-I547 HydrophobicContact CG1-CD1 4.01Å; V532-I547 HydrophobicContact CG1-CG1 4.44Å; I544-I547 HydrophobicContact CB-CB 4.03Å; I544-I547 HydrophobicContact CB-CG2 4.01Å; I544-I547 HydrophobicContact CG2-CB 3.87Å; I544-I547 HydrophobicContact CG2-CG1 4.46Å; I544-I547 HydrophobicContact CG2-CG2 4.41Å; I544-I547 WeakPolarHBondContact O-CB 3.2Å; I544-I547 VanDerWaalsContact O-CG2 3.23Å; I544-I547 WeakPolarHBondContact O-CG2 3.39Å; I544-I547 PolarHBondContact O-N 2.71Å; I547-D553 WeakPolarHBondContact O-CB 3.37Å; I547-N558 PolarHBondContact O-ND2 3.27Å; I547-L562 HydrophobicContact CG1-CB 4.37Å; I547-L562 HydrophobicContact CG1-CD1 3.87Å; I547-L562 HydrophobicContact CG2-CB 3.88Å; I547-C563 WeakPolarHBondContact CG2-SG 3.45Å; I547-L745 HydrophobicContact CD1-CD1 4.16Å |
| 548 | L | 90.2 | Very high | 90 | Very high | 57 Ų | 57 | 39 Ų | 39 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -0.3 | 174.8 | -58.2 | -178.9 | 0 | 0 | 0 | 113.1 | G546 N558 L560 C563 | G546-L548 PolarHBondContact O-N 3.26Å; L548-N558 HydrophobicContact CD2-CB 3.69Å; L548-L560 HydrophobicContact CD1-CD2 4.01Å; L548-C563 HydrophobicContact CD1-CB 3.92Å; L548-C563 VanDerWaalsContact CD1-SG 3.55Å; L548-C563 HydrophobicContact CG-CB 4.49Å; L548-C563 VanDerWaalsContact CG-SG 3.51Å |
| 549 | N | 87.9 | Confident | 89.8 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -70.8 | 136.6 | 178.1 | -74.5 | 0.3 | 0 | 0 | 0 | 109.3 | G546 A551 Y552 D553 R576 | G546-N549 WeakPolarHBondContact O-CB 3.11Å; G546-N549 PolarHBondContact O-N 2.95Å; N549-A551 PolarHBondContact O-N 3.07Å; N549-Y552 HydrophobicContact CB-CD2 4.14Å; N549-Y552 PolarHBondContact O-N 3.28Å; N549-D553 PolarHBondContact O-N 3.35Å; N549-R576 PolarHBondContact ND2-N 2.9Å |
| 550 | K | 84.3 | Confident | 89.5 | Confident | 182 Ų | 182 | 46 Ų | 46 | 79% | 0.791 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -27.6 | -179.5 | -174.6 | 176.8 | 179.2 | -179.4 | 0 | 114.7 | Y552 | K550-Y552 PolarHBondContact O-N 2.79Š|
| 551 | A | 80.5 | Confident | 89.5 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I433 N549 H554 | I433-A551 HydrophobicContact CD1-CB 4.23Å; N549-A551 PolarHBondContact O-N 3.07Å; A551-H554 PolarHBondContact O-CE1 3.23Å |
| 552 | Y | 83.6 | Confident | 89.4 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -38.1 | -178.2 | -55.7 | -71.8 | 0 | 0 | 0 | 111.7 | I433 V505 G546 N549 K550 R576 L745 | I433-Y552 HydrophobicContact CD1-CD1 4.09Å; I433-Y552 HydrophobicContact CD1-CE1 3.5Å; I433-Y552 HydrophobicContact CG1-CE1 4.34Å; V505-Y552 HydrophobicContact CG1-CD1 4Å; V505-Y552 HydrophobicContact CG1-CD2 3.79Å; V505-Y552 HydrophobicContact CG1-CE1 4.41Å; V505-Y552 HydrophobicContact CG1-CE2 4.24Å; V505-Y552 HydrophobicContact CG1-CG 3.68Å; G546-Y552 WeakPolarHBondContact O-CD2 3.17Å; N549-Y552 HydrophobicContact CB-CD2 4.14Å; N549-Y552 PolarHBondContact O-N 3.28Å; K550-Y552 PolarHBondContact O-N 2.79Å; Y552-R576 PolarHBondContact OH-NH1 3.19Å; Y552-R576 VanDerWaalsContact OH-NH1 3.09Å; Y552-L745 HydrophobicContact CD1-CD2 3.72Å; Y552-L745 HydrophobicContact CG-CD2 4.17Å |
| 553 | D | 85.9 | Confident | 89.3 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | trans | -99.7 | 86.2 | 172.7 | -172.4 | 5.2 | 0 | 0 | 0 | 111.4 | I547 N549 T555 G556 T557 N558 | I547-D553 WeakPolarHBondContact O-CB 3.37Å; N549-D553 PolarHBondContact O-N 3.35Å; D553-T555 VanDerWaalsContact C-N 3.33Å; D553-T555 PolarHBondContact OD1-N 3.46Å; D553-T555 PolarHBondContact OD1-OG1 2.98Å; D553-G556 WeakPolarHBondContact OD1-CA 3.02Å; D553-G556 PolarHBondContact OD1-N 3.47Å; D553-G556 WeakPolarHBondContact OD2-CA 3.41Å; D553-T557 PolarHBondContact OD1-N 3.33Å; D553-T557 PolarHBondContact OD2-N 3.17Å; D553-N558 PolarHBondContact OD2-N 3.08Å | ||
| 554 | H | 79.4 | Confident | 89.1 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 34% | 0.338 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -75.4 | -23.5 | -176.5 | -69.1 | 71.5 | 0 | 0 | 0 | 113.3 | A551 G744 | A551-H554 PolarHBondContact O-CE1 3.23Å; H554-G744 PolarHBondContact CE1-O 2.78Å; H554-G744 VanDerWaalsContact ND1-CA 3.27Å; H554-G744 WeakPolarHBondContact ND1-CA 3.16Å |
| 555 | T | 81.6 | Confident | 89 | Confident | 61 Ų | 61 | 46 Ų | 46 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -96.1 | -20.5 | -177.6 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | D553 T557 | D553-T555 VanDerWaalsContact C-N 3.33Å; D553-T555 PolarHBondContact OD1-N 3.46Å; D553-T555 PolarHBondContact OD1-OG1 2.98Å; T555-T557 VanDerWaalsContact C-N 3.29Å; T555-T557 PolarHBondContact OG1-OG1 2.65Å |
| 556 | G | 84.1 | Confident | 89.1 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 63% | 0.629 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 71.5 | 26.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | D553 | D553-G556 WeakPolarHBondContact OD1-CA 3.02Å; D553-G556 PolarHBondContact OD1-N 3.47Å; D553-G556 WeakPolarHBondContact OD2-CA 3.41Å |
| 557 | T | 85.5 | Confident | 89 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | trans | -110.1 | -1.5 | -170.7 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | D553 T555 | D553-T557 PolarHBondContact OD1-N 3.33Å; D553-T557 PolarHBondContact OD2-N 3.17Å; T555-T557 VanDerWaalsContact C-N 3.29Å; T555-T557 PolarHBondContact OG1-OG1 2.65Å | ||
| 558 | N | 88.4 | Confident | 88.4 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -66.3 | 141 | 179.8 | -74 | -13.6 | 0 | 0 | 0 | 111 | I547 L548 D553 L560 | I547-N558 PolarHBondContact O-ND2 3.27Å; L548-N558 HydrophobicContact CD2-CB 3.69Å; D553-N558 PolarHBondContact OD2-N 3.08Å; N558-L560 PolarHBondContact O-N 2.87Å |
| 559 | S | 90.4 | Very high | 87.7 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | trans | -64.1 | 133.1 | -176.3 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | N561 L562 | S559-N561 WeakPolarHBondContact CB-OD1 3.3Å; S559-N561 PolarHBondContact O-N 3.16Å; S559-L562 WeakPolarHBondContact O-CB 3.29Å; S559-L562 WeakPolarHBondContact O-CG 3.27Å; S559-L562 PolarHBondContact O-N 2.69Å; S559-L562 VanDerWaalsContact O-N 3.16Å | ||
| 560 | L | 91.4 | Very high | 87.2 | Confident | 139 Ų | 139 | 54.5 Ų | 54.5 | 73% | 0.728 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -62.7 | -26.5 | -178 | -68.2 | 173.9 | 0 | 0 | 0 | 113.4 | L548 N558 L562 C563 E564 | L548-L560 HydrophobicContact CD1-CD2 4.01Å; N558-L560 PolarHBondContact O-N 2.87Å; L560-L562 PolarHBondContact O-N 3.17Å; L560-L562 VanDerWaalsContact O-N 3.14Å; L560-C563 PolarHBondContact O-N 2.95Å; L560-C563 VanDerWaalsContact O-N 3.12Å; L560-E564 PolarHBondContact O-N 3.03Å |
| 561 | N | 95.3 | Very high | 86.9 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -61.9 | -20 | 178.5 | 72.1 | -40.4 | 0 | 0 | 0 | 112.6 | G536 S540 R541 A542 S559 C563 E564 | G536-N561 PolarHBondContact O-ND2 3.44Å; S540-N561 PolarHBondContact O-ND2 2.92Å; S540-N561 VanDerWaalsContact O-ND2 3.15Å; R541-N561 CarbonylContact C-O 3.59Å; R541-N561 WeakPolarHBondContact CA-O 3.29Å; A542-N561 PolarHBondContact N-O 3.19Å; S559-N561 WeakPolarHBondContact CB-OD1 3.3Å; S559-N561 PolarHBondContact O-N 3.16Å; N561-C563 PolarHBondContact O-N 3.22Å; N561-E564 PolarHBondContact O-N 3.32Å |
| 562 | L | 95.2 | Very high | 87 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -69.2 | -14.9 | 176.7 | -60.1 | -177.8 | 0 | 0 | 0 | 114.1 | V532 F535 I539 A542 I544 I547 S559 L560 | V532-L562 HydrophobicContact CG1-CD1 3.59Å; F535-L562 HydrophobicContact CD1-CD2 4.12Å; F535-L562 HydrophobicContact CE1-CD2 4.49Å; I539-L562 HydrophobicContact CD1-CD2 3.93Å; A542-L562 CarbonylContact C-O 3.31Å; A542-L562 CarbonylContact O-C 3.32Å; I544-L562 HydrophobicContact CD1-CB 3.9Å; I544-L562 HydrophobicContact CD1-CD2 3.84Å; I544-L562 HydrophobicContact CD1-CG 4.32Å; I544-L562 PolarHBondContact N-O 3.18Å; I547-L562 HydrophobicContact CG1-CB 4.37Å; I547-L562 HydrophobicContact CG1-CD1 3.87Å; I547-L562 HydrophobicContact CG2-CB 3.88Å; S559-L562 WeakPolarHBondContact O-CB 3.29Å; S559-L562 WeakPolarHBondContact O-CG 3.27Å; S559-L562 PolarHBondContact O-N 2.69Å; S559-L562 VanDerWaalsContact O-N 3.16Å; L560-L562 PolarHBondContact O-N 3.17Å; L560-L562 VanDerWaalsContact O-N 3.14Å |
| 563 | C | 94.7 | Very high | 87.2 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.02 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -122.3 | 3.7 | 176.1 | -71.9 | 0 | 0 | 0 | 0 | 113.2 | A542 I547 L548 L560 N561 L565 C566 C574 | A542-C563 CarbonylContact O-C 3.4Å; A542-C563 VanDerWaalsContact O-C 3.3Å; A542-C563 WeakPolarHBondContact O-CA 3.34Å; A542-C563 PolarHBondContact O-N 3.29Å; I547-C563 WeakPolarHBondContact CG2-SG 3.45Å; L548-C563 HydrophobicContact CD1-CB 3.92Å; L548-C563 VanDerWaalsContact CD1-SG 3.55Å; L548-C563 HydrophobicContact CG-CB 4.49Å; L548-C563 VanDerWaalsContact CG-SG 3.51Å; L560-C563 PolarHBondContact O-N 2.95Å; L560-C563 VanDerWaalsContact O-N 3.12Å; N561-C563 PolarHBondContact O-N 3.22Å; C563-L565 VanDerWaalsContact C-N 3.27Å; C563-L565 PolarHBondContact O-N 3.49Å; C563-C566 WeakPolarHBondContact O-CB 3.4Å; C563-C566 PolarHBondContact O-N 2.98Å; C563-C566 VanDerWaalsContact O-N 3.11Å; C563-C574 HydrophobicContact CB-CB 3.46Å; C563-C574 VanDerWaalsContact CB-CB 3.46Å; C563-C574 WeakPolarHBondContact CB-SG 3.37Å; C563-C574 WeakPolarHBondContact SG-CB 3.19Å; C563-C574 CovalentContact SG-SG 2.03Å; C563-C574 PolarHBondContact SG-SG 3.45Å |
| 564 | E | 94.5 | Very high | 87.6 | Confident | 88 Ų | 88 | 57.2 Ų | 57.2 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -24.5 | -170.8 | -168.6 | 177.8 | 176.6 | 0 | 0 | 112.8 | R541 A542 L560 N561 | R541-E564 HydrophobicContact CB-CB 4.38Å; R541-E564 WeakPolarHBondContact CD-OE2 3.33Å; R541-E564 HydrophobicContact CG-CB 4.36Å; R541-E564 HydrophobicContact CG-CG 4.46Å; R541-E564 WeakPolarHBondContact CG-OE2 3.45Å; R541-E564 IonicContact CZ-OE1 3.36Å; R541-E564 IonicContact CZ-OE2 2.75Å; R541-E564 IonicContact NE-OE1 3.09Å; R541-E564 PolarHBondContact NE-OE1 3.22Å; R541-E564 IonicContact NE-OE2 2.92Å; R541-E564 PolarHBondContact NE-OE2 3.2Å; R541-E564 IonicContact NH1-OE1 3.92Å; R541-E564 IonicContact NH2-OE1 2.69Å; R541-E564 PolarHBondContact NH2-OE1 2.86Å; A542-E564 PolarHBondContact O-N 2.76Å; A542-E564 VanDerWaalsContact O-N 3.14Å; L560-E564 PolarHBondContact O-N 3.03Å; N561-E564 PolarHBondContact O-N 3.32Å |
| 565 | L | 95.7 | Very high | 88.2 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -15.1 | 173.1 | -59.5 | 178.2 | 0 | 0 | 0 | 113.3 | R499 R541 A542 C543 C563 Y582 A596 | R499-L565 HydrophobicContact CB-CD1 3.68Å; R499-L565 HydrophobicContact CG-CD1 4.2Å; R499-L565 HydrophobicContact CG-CD2 4.44Å; R541-L565 HydrophobicContact CB-CD1 4.2Å; R541-L565 HydrophobicContact CB-CD2 3.84Å; R541-L565 HydrophobicContact CB-CG 3.71Å; R541-L565 WeakPolarHBondContact O-CD1 3.4Å; A542-L565 WeakPolarHBondContact O-CB 3.49Å; A542-L565 PolarHBondContact O-N 2.58Å; C543-L565 HydrophobicContact CB-CB 4.06Å; C563-L565 VanDerWaalsContact C-N 3.27Å; C563-L565 PolarHBondContact O-N 3.49Å; L565-Y582 WeakPolarHBondContact O-CE2 3.29Å; L565-A596 HydrophobicContact CD1-CB 4.1Å |
| 566 | C | 96.4 | Very high | 88.8 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | trans | -64.7 | 146.8 | -177.8 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | C543 C563 R573 C574 E580 | C543-C566 WeakPolarHBondContact CA-SG 3.23Å; C543-C566 HydrophobicContact CB-CB 4Å; C543-C566 WeakPolarHBondContact CB-SG 3.35Å; C543-C566 WeakPolarHBondContact SG-CA 3.49Å; C543-C566 WeakPolarHBondContact SG-CB 3.41Å; C543-C566 CovalentContact SG-SG 2.04Å; C543-C566 PolarHBondContact SG-SG 3.11Å; C563-C566 WeakPolarHBondContact O-CB 3.4Å; C563-C566 PolarHBondContact O-N 2.98Å; C563-C566 VanDerWaalsContact O-N 3.11Å; C566-R573 HydrophobicContact CB-CG 4.16Å; C566-C574 HydrophobicContact CB-CB 4.09Å; C566-C574 PolarHBondContact SG-SG 2.98Å; C566-E580 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 567 | T | 92.1 | Very high | 89.3 | Confident | 64 Ų | 64 | 52 Ų | 52 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | trans | -96.3 | -11.8 | -172.3 | -167.1 | 0 | 0 | 0 | 0 | 114 | E580 L581 Y582 | T567-E580 PolarHBondContact N-OE1 3.29Å; T567-E580 VanDerWaalsContact N-OE1 3.16Å; T567-L581 HydrophobicContact CG2-CB 3.64Å; T567-L581 HydrophobicContact CG2-CD1 3.86Å; T567-L581 HydrophobicContact CG2-CG 4.1Å; T567-Y582 HydrophobicContact CG2-CD1 4.23Å; T567-Y582 HydrophobicContact CG2-CE1 4.12Å; T567-Y582 HydrophobicContact CG2-CG 4.47Å | ||
| 568 | G | 80.1 | Confident | 89.6 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | trans | -56.4 | 140.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R573 E580 | G568-R573 WeakPolarHBondContact O-CA 3.38Å; G568-R573 WeakPolarHBondContact O-CB 3.49Å; G568-R573 PolarHBondContact O-NE 3.39Å; G568-E580 WeakPolarHBondContact CA-OE2 3.02Å; G568-E580 PolarHBondContact N-OE2 3.39Å | ||
| 569 | G | 75.5 | Confident | 89.7 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | trans | -88.9 | 142.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A571 D572 | G569-A571 PolarHBondContact O-N 3.38Å; G569-D572 PolarHBondContact O-N 3.43Å | ||
| 570 | N | 76.4 | Confident | 89.9 | Confident | 163 Ų | 163 | 49 Ų | 49 | 87% | 0.872 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | 49 | -107 | 171.8 | -60.2 | -35.9 | 0 | 0 | 0 | 113.7 | ||
| 571 | A | 77.3 | Confident | 89.9 | Confident | 83 Ų | 83 | 45.9 Ų | 45.9 | 69% | 0.686 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -78.8 | -17.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G569 | G569-A571 PolarHBondContact O-N 3.38Š|
| 572 | D | 83 | Confident | 90 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -95.9 | -1.6 | -178.4 | -56.6 | -43.8 | 0 | 0 | 0 | 113.8 | G569 C574 R575 | G569-D572 PolarHBondContact O-N 3.43Å; D572-C574 PolarHBondContact O-N 2.9Å; D572-R575 VanDerWaalsContact CA-CD 3.5Å; D572-R575 WeakPolarHBondContact O-CG 3.38Å; D572-R575 WeakPolarHBondContact OD1-CD 3.45Å; D572-R575 IonicContact OD1-NH1 2.64Å |
| 573 | R | 89.3 | Confident | 90 | Very high | 135 Ų | 135 | 46.5 Ų | 46.5 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 126.6 | 174.7 | -172.6 | 170.9 | -69.1 | 176.8 | -4.4 | 110.3 | C566 G568 R575 | C566-R573 HydrophobicContact CB-CG 4.16Å; G568-R573 WeakPolarHBondContact O-CA 3.38Å; G568-R573 WeakPolarHBondContact O-CB 3.49Å; G568-R573 PolarHBondContact O-NE 3.39Å; R573-R575 PolarHBondContact O-N 3.14Å |
| 574 | C | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 29.6 | 168.8 | -155.2 | 0 | 0 | 0 | 0 | 112.8 | I544 G546 C563 C566 D572 E580 | I544-C574 PolarHBondContact O-SG 2.58Å; G546-C574 WeakPolarHBondContact CA-O 3.39Å; G546-C574 PolarHBondContact N-O 2.98Å; C563-C574 HydrophobicContact CB-CB 3.46Å; C563-C574 VanDerWaalsContact CB-CB 3.46Å; C563-C574 WeakPolarHBondContact CB-SG 3.37Å; C563-C574 WeakPolarHBondContact SG-CB 3.19Å; C563-C574 CovalentContact SG-SG 2.03Å; C563-C574 PolarHBondContact SG-SG 3.45Å; C566-C574 HydrophobicContact CB-CB 4.09Å; C566-C574 PolarHBondContact SG-SG 2.98Å; D572-C574 PolarHBondContact O-N 2.9Å; C574-E580 PolarHBondContact N-OE2 3.33Å |
| 575 | R | 93.4 | Very high | 90.2 | Very high | 71 Ų | 71 | 42.8 Ų | 42.8 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | trans | -68.2 | 155.1 | 171.2 | -69.2 | -179.4 | 66.2 | 109.9 | 7.3 | 110.7 | P545 D572 R573 D577 E580 | P545-R575 VanDerWaalsContact CB-O 3.26Å; P545-R575 WeakPolarHBondContact CB-O 3.5Å; D572-R575 VanDerWaalsContact CA-CD 3.5Å; D572-R575 WeakPolarHBondContact O-CG 3.38Å; D572-R575 WeakPolarHBondContact OD1-CD 3.45Å; D572-R575 IonicContact OD1-NH1 2.64Å; R573-R575 PolarHBondContact O-N 3.14Å; R575-D577 VanDerWaalsContact C-N 3.32Å; R575-D577 VanDerWaalsContact CB-OD1 3.23Å; R575-D577 WeakPolarHBondContact CB-OD1 3.48Å; R575-D577 IonicContact CZ-OD2 2.83Å; R575-D577 IonicContact NE-OD1 3.53Å; R575-D577 PolarHBondContact NE-OD1 3.39Å; R575-D577 IonicContact NE-OD2 3.13Å; R575-D577 PolarHBondContact NE-OD2 3.12Å; R575-D577 IonicContact NH2-OD2 2.68Å; R575-D577 PolarHBondContact NH2-OD2 2.82Å; R575-D577 PolarHBondContact O-N 2.83Å; R575-E580 HydrophobicContact CB-CB 4.35Å; R575-E580 WeakPolarHBondContact O-CB 3.5Å | ||
| 576 | R | 93.8 | Very high | 90.2 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -99.4 | 54.6 | 175.6 | -166.5 | 177.2 | 165.9 | 169.5 | -0.3 | 110.8 | D453 V505 N549 Y552 Y583 | D453-R576 IonicContact OD1-CZ 2.82Å; D453-R576 IonicContact OD1-NH1 3.22Å; D453-R576 IonicContact OD1-NH2 3.49Å; D453-R576 PolarHBondContact OD1-NH2 2.88Å; D453-R576 IonicContact OD2-CZ 2.76Å; D453-R576 IonicContact OD2-NH2 3.18Å; D453-R576 PolarHBondContact OD2-NH2 3.33Å; V505-R576 PolarHBondContact O-NE 3.43Å; V505-R576 PolarHBondContact O-NH1 3.21Å; V505-R576 PolarHBondContact O-NH2 3.35Å; N549-R576 PolarHBondContact ND2-N 2.9Å; Y552-R576 PolarHBondContact OH-NH1 3.19Å; Y552-R576 VanDerWaalsContact OH-NH1 3.09Å; R576-Y583 HydrophobicContact CB-CE2 4.5Å; R576-Y583 HydrophobicContact CG-CD2 4.25Å; R576-Y583 HydrophobicContact CG-CE2 3.6Å |
| 577 | D | 93.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -158.4 | 175.7 | 179.8 | 56.5 | 32.5 | 0 | 0 | 0 | 109.4 | I400 D401 R575 L579 E580 Y583 | I400-D577 HydrophobicContact CD1-CB 4.4Å; D401-D577 HydrophobicContact CB-CB 3.96Å; R575-D577 VanDerWaalsContact C-N 3.32Å; R575-D577 VanDerWaalsContact CB-OD1 3.23Å; R575-D577 WeakPolarHBondContact CB-OD1 3.48Å; R575-D577 IonicContact CZ-OD2 2.83Å; R575-D577 IonicContact NE-OD1 3.53Å; R575-D577 PolarHBondContact NE-OD1 3.39Å; R575-D577 IonicContact NE-OD2 3.13Å; R575-D577 PolarHBondContact NE-OD2 3.12Å; R575-D577 IonicContact NH2-OD2 2.68Å; R575-D577 PolarHBondContact NH2-OD2 2.82Å; R575-D577 PolarHBondContact O-N 2.83Å; D577-L579 PolarHBondContact O-N 3.43Å; D577-L579 WeakPolarHBondContact OD1-CB 3.33Å; D577-L579 PolarHBondContact OD1-N 2.83Å; D577-E580 PolarHBondContact O-N 3.49Å; D577-Y583 VanDerWaalsContact O-CB 3.28Å; D577-Y583 WeakPolarHBondContact O-CB 3.41Å; D577-Y583 VanDerWaalsContact O-CD1 3.31Å; D577-Y583 WeakPolarHBondContact O-CD1 3.44Å |
| 578 | N | 92.5 | Very high | 90.5 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.064 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 4.4 | -172.8 | -62.9 | -67.3 | 0 | 0 | 0 | 114.4 | D401 F403 Q697 L700 | D401-N578 WeakPolarHBondContact OD2-CB 3.01Å; D401-N578 PolarHBondContact OD2-N 3.35Å; D401-N578 PolarHBondContact OD2-ND2 3.5Å; F403-N578 HydrophobicContact CD2-CB 3.64Å; F403-N578 HydrophobicContact CE2-CB 4.18Å; F403-N578 HydrophobicContact CG-CB 4.35Å; N578-Q697 PolarHBondContact O-NE2 2.82Å; N578-Q697 VanDerWaalsContact O-NE2 3.15Å; N578-L700 WeakPolarHBondContact ND2-CD2 3.4Å |
| 579 | L | 91.3 | Very high | 91.3 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 30% | 0.298 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -25.8 | 169 | -67.5 | 169.3 | 0 | 0 | 0 | 112 | F403 D577 | F403-L579 HydrophobicContact CE2-CD2 3.83Å; F403-L579 HydrophobicContact CE2-CG 4.29Å; F403-L579 HydrophobicContact CZ-CD2 4.34Å; D577-L579 PolarHBondContact O-N 3.43Å; D577-L579 WeakPolarHBondContact OD1-CB 3.33Å; D577-L579 PolarHBondContact OD1-N 2.83Å |
| 580 | E | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -85.9 | 112.2 | 168.2 | 174.2 | 53.5 | -113.9 | 0 | 0 | 109.1 | P545 C566 T567 G568 C574 R575 D577 Y582 Y583 | P545-E580 HydrophobicContact CG-CG 4.41Å; C566-E580 WeakPolarHBondContact CB-OE2 3.39Å; T567-E580 PolarHBondContact N-OE1 3.29Å; T567-E580 VanDerWaalsContact N-OE1 3.16Å; G568-E580 WeakPolarHBondContact CA-OE2 3.02Å; G568-E580 PolarHBondContact N-OE2 3.39Å; C574-E580 PolarHBondContact N-OE2 3.33Å; R575-E580 HydrophobicContact CB-CB 4.35Å; R575-E580 WeakPolarHBondContact O-CB 3.5Å; D577-E580 PolarHBondContact O-N 3.49Å; E580-Y582 PolarHBondContact O-N 3.44Å; E580-Y582 VanDerWaalsContact O-N 3.08Å; E580-Y582 PolarHBondContact OE1-N 2.84Å; E580-Y582 VanDerWaalsContact OE1-N 3.14Å; E580-Y583 WeakPolarHBondContact O-CB 3.33Å; E580-Y583 PolarHBondContact O-N 2.81Å |
| 581 | L | 92.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 30.1 Ų | 30.1 | 39% | 0.387 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.1 | -175.7 | -62.7 | 171.2 | 0 | 0 | 0 | 113.7 | T567 G587 | T567-L581 HydrophobicContact CG2-CB 3.64Å; T567-L581 HydrophobicContact CG2-CD1 3.86Å; T567-L581 HydrophobicContact CG2-CG 4.1Å; L581-G587 WeakPolarHBondContact O-CA 3.32Å |
| 582 | Y | 95.9 | Very high | 94.3 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 7% | 0.067 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 7.4 | 173.9 | -62.9 | -10.7 | 0 | 0 | 0 | 113.5 | C543 L565 T567 E580 G587 A588 R590 C591 E594 | C543-Y582 HydrophobicContact CB-CD2 4.16Å; L565-Y582 WeakPolarHBondContact O-CE2 3.29Å; T567-Y582 HydrophobicContact CG2-CD1 4.23Å; T567-Y582 HydrophobicContact CG2-CE1 4.12Å; T567-Y582 HydrophobicContact CG2-CG 4.47Å; E580-Y582 PolarHBondContact O-N 3.44Å; E580-Y582 VanDerWaalsContact O-N 3.08Å; E580-Y582 PolarHBondContact OE1-N 2.84Å; E580-Y582 VanDerWaalsContact OE1-N 3.14Å; Y582-G587 WeakPolarHBondContact CA-O 3.38Å; Y582-G587 CarbonylContact O-C 3.48Å; Y582-G587 VanDerWaalsContact O-C 3.24Å; Y582-A588 PolarHBondContact O-N 2.83Å; Y582-R590 HydrophobicContact CD1-CB 4.27Å; Y582-R590 HydrophobicContact CD1-CG 4.17Å; Y582-R590 HydrophobicContact CE1-CB 4.41Å; Y582-R590 HydrophobicContact CE1-CG 3.89Å; Y582-C591 HydrophobicContact CD1-CB 4.08Å; Y582-C591 HydrophobicContact CD2-CB 3.46Å; Y582-C591 VanDerWaalsContact CD2-CB 3.46Å; Y582-C591 HydrophobicContact CE1-CB 4.4Å; Y582-C591 HydrophobicContact CE2-CB 3.79Å; Y582-C591 HydrophobicContact CG-CB 3.63Å; Y582-E594 WeakPolarHBondContact CE1-OE2 3.43Å; Y582-E594 WeakPolarHBondContact OH-CB 3.41Å; Y582-E594 PolarHBondContact OH-OE2 3.14Å |
| 583 | Y | 95.7 | Very high | 94.9 | Very high | 29 Ų | 29 | 24.6 Ų | 24.6 | 11% | 0.114 | 11% | 0.113 | C | C | . | . | trans | -73.1 | 148.8 | 171 | 178.1 | -115.7 | 0 | 0 | 0 | 112.4 | S503 K507 P545 R576 D577 E580 G587 | S503-Y583 VanDerWaalsContact O-CD2 3.28Å; S503-Y583 WeakPolarHBondContact O-CD2 3.18Å; K507-Y583 WeakPolarHBondContact CE-OH 3.48Å; K507-Y583 PolarHBondContact NZ-OH 3.1Å; P545-Y583 HydrophobicContact CB-CD2 3.66Å; P545-Y583 HydrophobicContact CB-CG 4.4Å; P545-Y583 HydrophobicContact CG-CD2 4.21Å; R576-Y583 HydrophobicContact CB-CE2 4.5Å; R576-Y583 HydrophobicContact CG-CD2 4.25Å; R576-Y583 HydrophobicContact CG-CE2 3.6Å; D577-Y583 VanDerWaalsContact O-CB 3.28Å; D577-Y583 WeakPolarHBondContact O-CB 3.41Å; D577-Y583 VanDerWaalsContact O-CD1 3.31Å; D577-Y583 WeakPolarHBondContact O-CD1 3.44Å; E580-Y583 WeakPolarHBondContact O-CB 3.33Å; E580-Y583 PolarHBondContact O-N 2.81Å; Y583-G587 WeakPolarHBondContact O-CA 3.47Å; Y583-G587 PolarHBondContact O-N 2.85Å | ||
| 584 | G | 96 | Very high | 95.2 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 8% | 0.082 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | 77.2 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S503 G587 A588 | S503-G584 WeakPolarHBondContact CA-O 3.29Å; S503-G584 VanDerWaalsContact CB-C 3.41Å; S503-G584 WeakPolarHBondContact CB-O 3.45Å; S503-G584 PolarHBondContact O-N 2.8Å; G584-G587 PolarHBondContact O-N 2.03Å; G584-A588 PolarHBondContact O-N 3.49Å |
| 585 | D | 97.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | -174.7 | -67 | -55.9 | 0 | 0 | 0 | 111.3 | S503 G587 A588 F589 A601 R602 T605 | S503-D585 WeakPolarHBondContact CB-OD1 3.04Å; S503-D585 PolarHBondContact OG-OD1 2.97Å; D585-G587 VanDerWaalsContact C-N 3.33Å; D585-G587 PolarHBondContact O-N 2.82Å; D585-A588 PolarHBondContact O-N 3.09Å; D585-F589 PolarHBondContact O-N 3.1Å; D585-F589 VanDerWaalsContact O-N 3.09Å; D585-A601 HydrophobicContact CB-CB 4.05Å; D585-A601 WeakPolarHBondContact OD1-CA 3.44Å; D585-R602 HydrophobicContact CB-CG 4.46Å; D585-R602 WeakPolarHBondContact OD2-CD 3.21Å; D585-R602 WeakPolarHBondContact OD2-CG 3.23Å; D585-R602 IonicContact OD2-CZ 3.69Å; D585-R602 IonicContact OD2-NE 2.68Å; D585-R602 PolarHBondContact OD2-NE 2.88Å; D585-T605 HydrophobicContact CB-CG2 4.31Å; D585-T605 VanDerWaalsContact O-CG2 3.29Å; D585-T605 WeakPolarHBondContact O-CG2 3.12Å |
| 586 | A | 96 | Very high | 95.3 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 8% | 0.083 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F589 R590 W618 K698 | A586-F589 PolarHBondContact O-N 3.13Å; A586-R590 WeakPolarHBondContact O-CB 3.27Å; A586-R590 PolarHBondContact O-N 3.48Å; A586-W618 HydrophobicContact CB-CZ2 4.43Å; A586-K698 HydrophobicContact CB-CB 4.23Å; A586-K698 HydrophobicContact CB-CG 4.01Å |
| 587 | G | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.3 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L581 Y582 Y583 G584 D585 F589 R590 C591 | L581-G587 WeakPolarHBondContact O-CA 3.32Å; Y582-G587 WeakPolarHBondContact CA-O 3.38Å; Y582-G587 CarbonylContact O-C 3.48Å; Y582-G587 VanDerWaalsContact O-C 3.24Å; Y583-G587 WeakPolarHBondContact O-CA 3.47Å; Y583-G587 PolarHBondContact O-N 2.85Å; G584-G587 PolarHBondContact O-N 2.03Å; D585-G587 VanDerWaalsContact C-N 3.33Å; D585-G587 PolarHBondContact O-N 2.82Å; G587-F589 VanDerWaalsContact C-N 3.33Å; G587-F589 PolarHBondContact O-N 2.96Å; G587-R590 WeakPolarHBondContact O-CB 3.4Å; G587-R590 PolarHBondContact O-N 3.46Å; G587-C591 WeakPolarHBondContact O-CB 3.19Å; G587-C591 PolarHBondContact O-N 3.29Å |
| 588 | A | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | C501 Y582 G584 D585 C591 L592 A599 | C501-A588 VanDerWaalsContact CB-O 3.26Å; C501-A588 WeakPolarHBondContact CB-O 3.3Å; Y582-A588 PolarHBondContact O-N 2.83Å; G584-A588 PolarHBondContact O-N 3.49Å; D585-A588 PolarHBondContact O-N 3.09Å; A588-C591 WeakPolarHBondContact O-CB 3.47Å; A588-C591 PolarHBondContact O-N 3.33Å; A588-L592 PolarHBondContact O-N 2.95Å; A588-A599 VanDerWaalsContact O-CB 3.28Å; A588-A599 WeakPolarHBondContact O-CB 3.42Å |
| 589 | F | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 173.6 | -178 | -119.9 | 0 | 0 | 0 | 112.1 | I482 D585 A586 G587 C591 L592 I593 T605 V606 N609 T610 W618 L622 Y627 | I482-F589 HydrophobicContact CD1-CD2 4.28Å; I482-F589 HydrophobicContact CG2-CD2 4.21Å; I482-F589 HydrophobicContact CG2-CE2 4.12Å; D585-F589 PolarHBondContact O-N 3.1Å; D585-F589 VanDerWaalsContact O-N 3.09Å; A586-F589 PolarHBondContact O-N 3.13Å; G587-F589 VanDerWaalsContact C-N 3.33Å; G587-F589 PolarHBondContact O-N 2.96Å; F589-C591 VanDerWaalsContact C-N 3.3Å; F589-C591 PolarHBondContact O-N 3.44Å; F589-L592 HydrophobicContact CD2-CD2 4.23Å; F589-L592 HydrophobicContact CE2-CD2 4.32Å; F589-L592 WeakPolarHBondContact O-CB 3.29Å; F589-L592 PolarHBondContact O-N 3.48Å; F589-L592 VanDerWaalsContact O-N 3.11Å; F589-I593 HydrophobicContact CE1-CG2 4.33Å; F589-I593 HydrophobicContact CE2-CG2 4.19Å; F589-I593 HydrophobicContact CZ-CG2 4.06Å; F589-I593 PolarHBondContact O-N 2.67Å; F589-T605 HydrophobicContact CB-CG2 3.66Å; F589-T605 HydrophobicContact CG-CG2 4.26Å; F589-V606 HydrophobicContact CD2-CG2 4.21Å; F589-V606 HydrophobicContact CE2-CB 4.49Å; F589-V606 HydrophobicContact CE2-CG1 4.28Å; F589-V606 HydrophobicContact CE2-CG2 3.91Å; F589-V606 HydrophobicContact CZ-CB 4.48Å; F589-V606 HydrophobicContact CZ-CG1 4.04Å; F589-V606 HydrophobicContact CZ-CG2 4.38Å; F589-N609 HydrophobicContact CD1-CB 3.69Å; F589-N609 HydrophobicContact CE1-CB 3.79Å; F589-T610 HydrophobicContact CE1-CG2 4.07Å; F589-T610 HydrophobicContact CZ-CG2 4.02Å; F589-W618 HydrophobicContact CD1-CH2 4.41Å; F589-W618 HydrophobicContact CD1-CZ3 4.16Å; F589-L622 HydrophobicContact CE1-CD1 4Å; F589-Y627 AromaticContact CE2-CD1 3.86Å; F589-Y627 HydrophobicContact CE2-CD1 3.86Å; F589-Y627 HydrophobicContact CE2-CD2 4.22Å; F589-Y627 AromaticContact CE2-CE1 3.81Å; F589-Y627 HydrophobicContact CE2-CE1 3.81Å; F589-Y627 HydrophobicContact CE2-CE2 4.18Å; F589-Y627 HydrophobicContact CE2-CG 4.08Å; F589-Y627 AromaticContact CE2-CZ 3.98Å; F589-Y627 HydrophobicContact CZ-CD1 4.29Å; F589-Y627 AromaticContact CZ-CD2 3.96Å; F589-Y627 HydrophobicContact CZ-CD2 3.96Å; F589-Y627 AromaticContact CZ-CE1 3.98Å; F589-Y627 HydrophobicContact CZ-CE1 3.98Å; F589-Y627 AromaticContact CZ-CE2 3.62Å; F589-Y627 HydrophobicContact CZ-CE2 3.62Å; F589-Y627 HydrophobicContact CZ-CG 4.29Å; F589-Y627 AromaticContact CZ-CZ 3.64Å |
| 590 | R | 96.8 | Very high | 96.4 | Very high | 42 Ų | 42 | 17.9 Ų | 17.9 | 16% | 0.158 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 173.1 | -173.2 | -177.8 | 171.1 | -177 | -8.5 | 112.6 | Y582 A586 G587 L592 I593 E594 W618 | Y582-R590 HydrophobicContact CD1-CB 4.27Å; Y582-R590 HydrophobicContact CD1-CG 4.17Å; Y582-R590 HydrophobicContact CE1-CB 4.41Å; Y582-R590 HydrophobicContact CE1-CG 3.89Å; A586-R590 WeakPolarHBondContact O-CB 3.27Å; A586-R590 PolarHBondContact O-N 3.48Å; G587-R590 WeakPolarHBondContact O-CB 3.4Å; G587-R590 PolarHBondContact O-N 3.46Å; R590-L592 VanDerWaalsContact C-N 3.3Å; R590-L592 PolarHBondContact O-N 3.49Å; R590-I593 HydrophobicContact CG-CD1 4.34Å; R590-I593 WeakPolarHBondContact O-CG1 3.46Å; R590-I593 PolarHBondContact O-N 3.36Å; R590-E594 HydrophobicContact CG-CG 4.47Å; R590-E594 IonicContact CZ-OE1 3.7Å; R590-E594 IonicContact NE-OE1 2.7Å; R590-E594 PolarHBondContact NE-OE1 2.79Å; R590-E594 IonicContact NE-OE2 2.69Å; R590-E594 IonicContact NH2-OE1 3.51Å; R590-E594 PolarHBondContact NH2-OE1 3.36Å; R590-E594 VanDerWaalsContact NH2-OE1 3.13Å; R590-E594 WeakPolarHBondContact O-CB 3.41Å; R590-E594 WeakPolarHBondContact O-CG 3.37Å; R590-E594 PolarHBondContact O-N 3.36Å; R590-E594 VanDerWaalsContact O-N 3.09Å; R590-W618 HydrophobicContact CB-CD2 4.28Å; R590-W618 HydrophobicContact CB-CE3 4.1Å; R590-W618 HydrophobicContact CB-CH2 4.09Å; R590-W618 HydrophobicContact CB-CZ2 4.31Å; R590-W618 HydrophobicContact CB-CZ3 4Å; R590-W618 HydrophobicContact CG-CD2 3.86Å; R590-W618 HydrophobicContact CG-CE3 3.93Å; R590-W618 HydrophobicContact CG-CG 4.16Å; R590-W618 HydrophobicContact CG-CZ3 4.35Å |
| 591 | C | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.02 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -34.8 | 174.5 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | C501 Y582 G587 A588 F589 A596 | C501-C591 HydrophobicContact CB-CB 3.5Å; C501-C591 WeakPolarHBondContact CB-SG 3.31Å; C501-C591 WeakPolarHBondContact SG-CB 3.47Å; C501-C591 CovalentContact SG-SG 2.02Å; C501-C591 PolarHBondContact SG-SG 3.27Å; Y582-C591 HydrophobicContact CD1-CB 4.08Å; Y582-C591 HydrophobicContact CD2-CB 3.46Å; Y582-C591 VanDerWaalsContact CD2-CB 3.46Å; Y582-C591 HydrophobicContact CE1-CB 4.4Å; Y582-C591 HydrophobicContact CE2-CB 3.79Å; Y582-C591 HydrophobicContact CG-CB 3.63Å; G587-C591 WeakPolarHBondContact O-CB 3.19Å; G587-C591 PolarHBondContact O-N 3.29Å; A588-C591 WeakPolarHBondContact O-CB 3.47Å; A588-C591 PolarHBondContact O-N 3.33Å; F589-C591 VanDerWaalsContact C-N 3.3Å; F589-C591 PolarHBondContact O-N 3.44Å; C591-A596 WeakPolarHBondContact O-CB 3.39Å; C591-A596 PolarHBondContact O-N 3.47Å |
| 592 | L | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.9 | -54.3 | 174.1 | 175.2 | 66.2 | 0 | 0 | 0 | 111.4 | I482 E484 C501 A588 F589 R590 E594 G595 A596 D597 A599 Y627 | I482-L592 HydrophobicContact CB-CD2 4.11Å; I482-L592 HydrophobicContact CG2-CD2 3.64Å; E484-L592 HydrophobicContact CG-CD1 4.49Å; E484-L592 HydrophobicContact CG-CG 4.43Å; C501-L592 PolarHBondContact SG-N 3.23Å; C501-L592 VanDerWaalsContact SG-N 3.43Å; A588-L592 PolarHBondContact O-N 2.95Å; F589-L592 HydrophobicContact CD2-CD2 4.23Å; F589-L592 HydrophobicContact CE2-CD2 4.32Å; F589-L592 WeakPolarHBondContact O-CB 3.29Å; F589-L592 PolarHBondContact O-N 3.48Å; F589-L592 VanDerWaalsContact O-N 3.11Å; R590-L592 VanDerWaalsContact C-N 3.3Å; R590-L592 PolarHBondContact O-N 3.49Å; L592-E594 VanDerWaalsContact C-N 3.26Å; L592-E594 PolarHBondContact O-N 3.07Å; L592-G595 PolarHBondContact O-N 2.8Å; L592-A596 PolarHBondContact O-N 3.42Å; L592-A596 VanDerWaalsContact O-N 3.15Å; L592-D597 VanDerWaalsContact CD1-C 3.49Å; L592-A599 HydrophobicContact CB-CB 3.78Å; L592-A599 HydrophobicContact CD2-CB 4.21Å; L592-Y627 HydrophobicContact CD2-CD1 4.29Å |
| 593 | I | 95.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 14.8 Ų | 14.8 | 16% | 0.164 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.3 | -27.9 | -175.5 | 68 | 175.2 | 0 | 0 | 0 | 112.8 | F589 R590 G595 W618 L622 Y627 | F589-I593 HydrophobicContact CE1-CG2 4.33Å; F589-I593 HydrophobicContact CE2-CG2 4.19Å; F589-I593 HydrophobicContact CZ-CG2 4.06Å; F589-I593 PolarHBondContact O-N 2.67Å; R590-I593 HydrophobicContact CG-CD1 4.34Å; R590-I593 WeakPolarHBondContact O-CG1 3.46Å; R590-I593 PolarHBondContact O-N 3.36Å; I593-G595 PolarHBondContact O-N 2.87Å; I593-W618 HydrophobicContact CD1-CE3 3.42Å; I593-W618 VanDerWaalsContact CD1-CE3 3.42Å; I593-W618 HydrophobicContact CD1-CZ3 3.82Å; I593-L622 HydrophobicContact CD1-CD1 3.68Å; I593-L622 HydrophobicContact CD1-CD2 4.23Å; I593-L622 HydrophobicContact CG2-CD1 4.27Å; I593-L622 HydrophobicContact CG2-CD2 4.42Å; I593-Y627 HydrophobicContact CG2-CE1 3.94Å; I593-Y627 VanDerWaalsContact CG2-OH 3.23Å; I593-Y627 WeakPolarHBondContact CG2-OH 3.35Å |
| 594 | E | 95.2 | Very high | 96.9 | Very high | 91 Ų | 91 | 15.1 Ų | 15.1 | 43% | 0.425 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 11.1 | 177.4 | -68.4 | -174.9 | -168.1 | 0 | 0 | 112 | Y582 R590 L592 | Y582-E594 WeakPolarHBondContact CE1-OE2 3.43Å; Y582-E594 WeakPolarHBondContact OH-CB 3.41Å; Y582-E594 PolarHBondContact OH-OE2 3.14Å; R590-E594 HydrophobicContact CG-CG 4.47Å; R590-E594 IonicContact CZ-OE1 3.7Å; R590-E594 IonicContact NE-OE1 2.7Å; R590-E594 PolarHBondContact NE-OE1 2.79Å; R590-E594 IonicContact NE-OE2 2.69Å; R590-E594 IonicContact NH2-OE1 3.51Å; R590-E594 PolarHBondContact NH2-OE1 3.36Å; R590-E594 VanDerWaalsContact NH2-OE1 3.13Å; R590-E594 WeakPolarHBondContact O-CB 3.41Å; R590-E594 WeakPolarHBondContact O-CG 3.37Å; R590-E594 PolarHBondContact O-N 3.36Å; R590-E594 VanDerWaalsContact O-N 3.09Å; L592-E594 VanDerWaalsContact C-N 3.26Å; L592-E594 PolarHBondContact O-N 3.07Å |
| 595 | G | 92.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 15 Ų | 15 | 34% | 0.34 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 118.1 | 22.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R499 L592 I593 | R499-G595 PolarHBondContact NH1-O 2.78Å; R499-G595 PolarHBondContact NH2-O 3.25Å; L592-G595 PolarHBondContact O-N 2.8Å; I593-G595 PolarHBondContact O-N 2.87Å |
| 596 | A | 97 | Very high | 96.9 | Very high | 9 Ų | 9 | 14.8 Ų | 14.8 | 7% | 0.074 | 8% | 0.084 | C | C | . | . | trans | -83.6 | -178.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R499 C501 L565 C591 L592 | R499-A596 HydrophobicContact CB-CB 4Å; C501-A596 WeakPolarHBondContact SG-CB 3.31Å; L565-A596 HydrophobicContact CD1-CB 4.1Å; C591-A596 WeakPolarHBondContact O-CB 3.39Å; C591-A596 PolarHBondContact O-N 3.47Å; L592-A596 PolarHBondContact O-N 3.42Å; L592-A596 VanDerWaalsContact O-N 3.15Å | ||
| 597 | D | 97.6 | Very high | 96.9 | Very high | 16 Ų | 16 | 18 Ų | 18 | 9% | 0.086 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -102.9 | -30.6 | -177.2 | -56.9 | -45.9 | 0 | 0 | 0 | 112.9 | L490 R498 R499 L592 | L490-D597 HydrophobicContact CD2-CB 3.98Å; L490-D597 WeakPolarHBondContact CD2-O 3.15Å; R498-D597 WeakPolarHBondContact CA-OD2 3.35Å; R498-D597 HydrophobicContact CB-CB 4.28Å; R499-D597 IonicContact CZ-OD1 3.57Å; R499-D597 PolarHBondContact N-OD2 2.72Å; R499-D597 IonicContact NE-OD1 3.92Å; R499-D597 IonicContact NE-OD2 2.74Å; R499-D597 PolarHBondContact NE-OD2 3.09Å; R499-D597 IonicContact NH2-OD1 2.78Å; R499-D597 PolarHBondContact NH2-OD1 3.45Å; R499-D597 PolarHBondContact O-N 3.34Å; L592-D597 VanDerWaalsContact CD1-C 3.49Å |
| 598 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 141 | -176.8 | -175.4 | 168.8 | 0 | 0 | 0 | 111.2 | A481 I482 V483 L490 W495 R499 T500 C501 F600 L630 | A481-I598 HydrophobicContact CB-CD1 3.93Å; A481-I598 HydrophobicContact CB-CG1 4.35Å; I482-I598 WeakPolarHBondContact O-CA 3.4Å; V483-I598 HydrophobicContact CG1-CB 4.11Å; V483-I598 HydrophobicContact CG1-CD1 4.35Å; V483-I598 HydrophobicContact CG1-CG1 4Å; L490-I598 HydrophobicContact CD2-CB 4.17Å; W495-I598 HydrophobicContact CZ2-CD1 4.28Å; R499-I598 PolarHBondContact O-N 3.29Å; T500-I598 CarbonylContact C-O 3.54Å; T500-I598 WeakPolarHBondContact CA-O 3.18Å; T500-I598 HydrophobicContact CG2-CG2 3.53Å; C501-I598 PolarHBondContact N-O 3.07Å; I598-F600 HydrophobicContact CD1-CE1 3.84Å; I598-F600 HydrophobicContact CD1-CE2 4.32Å; I598-F600 HydrophobicContact CD1-CZ 3.57Å; I598-F600 HydrophobicContact CG1-CE1 4.29Å; I598-F600 HydrophobicContact CG1-CE2 4.29Å; I598-F600 HydrophobicContact CG1-CZ 3.99Å; I598-F600 HydrophobicContact CG2-CE2 4.27Å; I598-F600 HydrophobicContact CG2-CZ 4.44Å; I598-L630 HydrophobicContact CD1-CD1 3.75Å |
| 599 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | A481 I482 C501 A588 L592 | A481-A599 CarbonylContact C-O 3.58Å; A481-A599 WeakPolarHBondContact CA-O 3.48Å; I482-A599 PolarHBondContact N-O 3.13Å; I482-A599 PolarHBondContact O-N 3.35Å; C501-A599 HydrophobicContact CB-CB 3.95Å; C501-A599 CarbonylContact O-C 3.6Å; C501-A599 WeakPolarHBondContact O-CA 3.46Å; A588-A599 VanDerWaalsContact O-CB 3.28Å; A588-A599 WeakPolarHBondContact O-CB 3.42Å; L592-A599 HydrophobicContact CB-CB 3.78Å; L592-A599 HydrophobicContact CD2-CB 4.21Å |
| 600 | F | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.7 | 174.7 | -57.2 | -80.3 | 0 | 0 | 0 | 110.1 | A481 W495 C501 H502 A509 P514 I598 L647 | A481-F600 HydrophobicContact CB-CD1 3.98Å; A481-F600 HydrophobicContact CB-CE1 3.81Å; W495-F600 HydrophobicContact CD2-CZ 4.34Å; W495-F600 AromaticContact CE3-CZ 3.97Å; W495-F600 HydrophobicContact CE3-CZ 3.97Å; W495-F600 AromaticContact CH2-CE1 3.42Å; W495-F600 HydrophobicContact CH2-CE1 3.42Å; W495-F600 VanDerWaalsContact CH2-CE1 3.42Å; W495-F600 AromaticContact CH2-CZ 3.35Å; W495-F600 HydrophobicContact CH2-CZ 3.35Å; W495-F600 AromaticContact CZ2-CE1 3.78Å; W495-F600 HydrophobicContact CZ2-CE1 3.78Å; W495-F600 AromaticContact CZ2-CZ 3.76Å; W495-F600 HydrophobicContact CZ2-CZ 3.76Å; W495-F600 AromaticContact CZ3-CE1 3.97Å; W495-F600 HydrophobicContact CZ3-CE1 3.97Å; W495-F600 HydrophobicContact CZ3-CE2 4.34Å; W495-F600 AromaticContact CZ3-CZ 3.43Å; W495-F600 HydrophobicContact CZ3-CZ 3.43Å; W495-F600 VanDerWaalsContact CZ3-CZ 3.43Å; C501-F600 WeakPolarHBondContact O-CD2 3.36Å; C501-F600 PolarHBondContact O-N 3.17Å; H502-F600 AromaticContact CE1-CD2 3.48Å; H502-F600 VanDerWaalsContact CE1-CD2 3.48Å; H502-F600 WeakPolarHBondContact CE1-CD2 3.44Å; H502-F600 AromaticContact CE1-CE2 3.59Å; H502-F600 AromaticContact ND1-CD2 3.62Å; A509-F600 WeakPolarHBondContact O-CB 3.1Å; P514-F600 HydrophobicContact CB-CD1 3.98Å; P514-F600 HydrophobicContact CB-CD2 4.12Å; P514-F600 HydrophobicContact CB-CE1 4.01Å; P514-F600 HydrophobicContact CB-CE2 4.17Å; P514-F600 HydrophobicContact CB-CG 4.02Å; P514-F600 HydrophobicContact CB-CZ 4.11Å; P514-F600 HydrophobicContact CG-CB 3.65Å; P514-F600 HydrophobicContact CG-CD1 3.5Å; P514-F600 HydrophobicContact CG-CD2 3.91Å; P514-F600 HydrophobicContact CG-CE1 4.06Å; P514-F600 HydrophobicContact CG-CE2 4.43Å; P514-F600 HydrophobicContact CG-CG 3.4Å; P514-F600 VanDerWaalsContact CG-CG 3.4Å; P514-F600 HydrophobicContact CG-CZ 4.5Å; I598-F600 HydrophobicContact CD1-CE1 3.84Å; I598-F600 HydrophobicContact CD1-CE2 4.32Å; I598-F600 HydrophobicContact CD1-CZ 3.57Å; I598-F600 HydrophobicContact CG1-CE1 4.29Å; I598-F600 HydrophobicContact CG1-CE2 4.29Å; I598-F600 HydrophobicContact CG1-CZ 3.99Å; I598-F600 HydrophobicContact CG2-CE2 4.27Å; I598-F600 HydrophobicContact CG2-CZ 4.44Å; F600-L647 HydrophobicContact CD1-CD1 4.34Å; F600-L647 HydrophobicContact CE1-CD1 4.43Å |
| 601 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | -173.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V480 I482 D585 T605 | V480-A601 WeakPolarHBondContact CG2-O 3.28Å; V480-A601 PolarHBondContact N-O 3.27Å; V480-A601 PolarHBondContact O-N 3.13Å; I482-A601 HydrophobicContact CD1-CB 3.98Å; D585-A601 HydrophobicContact CB-CB 4.05Å; D585-A601 WeakPolarHBondContact OD1-CA 3.44Å; A601-T605 HydrophobicContact CB-CG2 4.09Å |
| 602 | R | 97.1 | Very high | 96 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 152.5 | 172.5 | -59.4 | 177.1 | -171.7 | -145.4 | -11.1 | 111.1 | Y471 Y477 Y478 D585 T604 T605 N653 N703 | Y471-R602 PolarHBondContact OH-NH1 3.13Å; Y471-R602 VanDerWaalsContact OH-NH1 3.13Å; Y477-R602 HydrophobicContact CD2-CB 4.3Å; Y477-R602 HydrophobicContact CD2-CG 3.65Å; Y477-R602 HydrophobicContact CE2-CG 3.84Å; Y477-R602 HydrophobicContact CG-CG 4.21Å; Y478-R602 WeakPolarHBondContact O-CA 3.22Å; D585-R602 HydrophobicContact CB-CG 4.46Å; D585-R602 WeakPolarHBondContact OD2-CD 3.21Å; D585-R602 WeakPolarHBondContact OD2-CG 3.23Å; D585-R602 IonicContact OD2-CZ 3.69Å; D585-R602 IonicContact OD2-NE 2.68Å; D585-R602 PolarHBondContact OD2-NE 2.88Å; R602-T604 PolarHBondContact O-N 2.9Å; R602-T605 PolarHBondContact N-OG1 2.74Å; R602-T605 VanDerWaalsContact O-CB 3.3Å; R602-T605 WeakPolarHBondContact O-CB 3.15Å; R602-T605 PolarHBondContact O-N 2.94Å; R602-T605 VanDerWaalsContact O-N 3.13Å; R602-T605 PolarHBondContact O-OG1 2.87Å; R602-N653 PolarHBondContact NH2-ND2 3.23Å; R602-N653 PolarHBondContact NH2-OD1 3Å; R602-N703 VanDerWaalsContact NH1-CG 3.31Å; R602-N703 PolarHBondContact NH1-ND2 2.8Å; R602-N703 VanDerWaalsContact NH1-ND2 3.13Å |
| 603 | H | 96.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 9% | 0.088 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.2 | 174.9 | 66.4 | -66 | 0 | 0 | 0 | 114.7 | Y478 V480 W642 | Y478-H603 PolarHBondContact N-ND1 3.27Å; Y478-H603 VanDerWaalsContact N-ND1 3.12Å; Y478-H603 PolarHBondContact O-N 3.5Å; Y478-H603 PolarHBondContact O-ND1 2.92Å; V480-H603 HydrophobicContact CG1-CB 3.88Å; H603-W642 HydrophobicContact CB-CB 3.66Å; H603-W642 HydrophobicContact CB-CD2 4.11Å; H603-W642 HydrophobicContact CB-CG 3.71Å; H603-W642 AromaticContact CD2-CD1 3.93Å; H603-W642 AromaticContact CD2-CD2 3.28Å; H603-W642 AromaticContact CD2-CE2 3.38Å; H603-W642 AromaticContact CD2-CE3 3.58Å; H603-W642 AromaticContact CD2-CG 3.72Å; H603-W642 AromaticContact CD2-CZ2 3.79Å; H603-W642 AromaticContact CD2-NE1 3.75Å; H603-W642 AromaticContact CG-CD2 3.92Å |
| 604 | T | 95.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 27.1 Ų | 27.1 | 22% | 0.221 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.3 | 178 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | R602 V606 H607 T608 D705 | R602-T604 PolarHBondContact O-N 2.9Å; T604-V606 PolarHBondContact O-N 3.4Å; T604-H607 WeakPolarHBondContact O-CB 3.39Å; T604-H607 PolarHBondContact O-N 3.46Å; T604-T608 WeakPolarHBondContact O-CG2 3.19Å; T604-T608 PolarHBondContact O-N 3.11Å; T604-T608 PolarHBondContact O-OG1 3.28Å; T604-D705 VanDerWaalsContact CB-OD2 3.25Å; T604-D705 WeakPolarHBondContact CB-OD2 3.36Å; T604-D705 PolarHBondContact OG1-OD2 3.13Å |
| 605 | T | 97 | Very high | 95.2 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -43.4 | -167.2 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | D585 F589 A601 R602 H607 T608 N609 | D585-T605 HydrophobicContact CB-CG2 4.31Å; D585-T605 VanDerWaalsContact O-CG2 3.29Å; D585-T605 WeakPolarHBondContact O-CG2 3.12Å; F589-T605 HydrophobicContact CB-CG2 3.66Å; F589-T605 HydrophobicContact CG-CG2 4.26Å; A601-T605 HydrophobicContact CB-CG2 4.09Å; R602-T605 PolarHBondContact N-OG1 2.74Å; R602-T605 VanDerWaalsContact O-CB 3.3Å; R602-T605 WeakPolarHBondContact O-CB 3.15Å; R602-T605 PolarHBondContact O-N 2.94Å; R602-T605 VanDerWaalsContact O-N 3.13Å; R602-T605 PolarHBondContact O-OG1 2.87Å; T605-H607 VanDerWaalsContact C-N 3.35Å; T605-T608 PolarHBondContact O-OG1 3.16Å; T605-N609 WeakPolarHBondContact O-CB 3.49Å; T605-N609 PolarHBondContact O-N 2.94Å; T605-N609 PolarHBondContact O-ND2 3.45Å |
| 606 | V | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | 179 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | I482 F589 T604 T608 N609 T610 E624 Y627 V639 | I482-V606 HydrophobicContact CB-CG2 4.44Å; I482-V606 HydrophobicContact CD1-CG2 3.58Å; I482-V606 HydrophobicContact CG1-CG2 3.88Å; I482-V606 HydrophobicContact CG2-CG2 3.67Å; F589-V606 HydrophobicContact CD2-CG2 4.21Å; F589-V606 HydrophobicContact CE2-CB 4.49Å; F589-V606 HydrophobicContact CE2-CG1 4.28Å; F589-V606 HydrophobicContact CE2-CG2 3.91Å; F589-V606 HydrophobicContact CZ-CB 4.48Å; F589-V606 HydrophobicContact CZ-CG1 4.04Å; F589-V606 HydrophobicContact CZ-CG2 4.38Å; T604-V606 PolarHBondContact O-N 3.4Å; V606-T608 PolarHBondContact O-N 3.14Å; V606-N609 PolarHBondContact O-N 3.07Å; V606-T610 HydrophobicContact CG1-CG2 4Å; V606-T610 WeakPolarHBondContact O-CB 3.5Å; V606-T610 WeakPolarHBondContact O-CG2 3.29Å; V606-T610 PolarHBondContact O-N 2.86Å; V606-T610 PolarHBondContact O-OG1 3.09Å; V606-E624 HydrophobicContact CG1-CG 4.2Å; V606-Y627 HydrophobicContact CG1-CD2 3.76Å; V606-Y627 HydrophobicContact CG1-CG 4.18Å; V606-V639 HydrophobicContact CB-CG1 3.73Å; V606-V639 HydrophobicContact CB-CG2 4.42Å; V606-V639 HydrophobicContact CG1-CG1 4.15Å; V606-V639 HydrophobicContact CG1-CG2 4.14Å; V606-V639 HydrophobicContact CG2-CG1 4.13Å; V606-V639 HydrophobicContact CG2-CG2 4.42Å |
| 607 | H | 95.7 | Very high | 94.9 | Very high | 78 Ų | 78 | 35 Ų | 35 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.6 | -47.7 | -179.7 | -171.9 | 77.1 | 0 | 0 | 0 | 111.4 | T604 T605 N609 R613 E624 | T604-H607 WeakPolarHBondContact O-CB 3.39Å; T604-H607 PolarHBondContact O-N 3.46Å; T605-H607 VanDerWaalsContact C-N 3.35Å; H607-N609 VanDerWaalsContact C-N 3.27Å; H607-N609 PolarHBondContact O-N 2.87Å; H607-R613 PolarHBondContact CE1-NH2 2.95Å; H607-R613 PolarHBondContact ND1-NH1 2.8Å; H607-R613 PolarHBondContact NE2-NE 3.5Å; H607-R613 WeakPolarHBondContact O-CD 3.4Å; H607-R613 PolarHBondContact O-NH1 2.89Å; H607-E624 IonicContact CE1-OE2 3.19Å; H607-E624 IonicContact CG-OE1 3.4Å; H607-E624 IonicContact CG-OE2 2.76Å; H607-E624 IonicContact ND1-OE1 2.58Å; H607-E624 PolarHBondContact ND1-OE1 3.2Å; H607-E624 IonicContact ND1-OE2 3.44Å; H607-E624 PolarHBondContact ND1-OE2 3.5Å |
| 608 | T | 93.7 | Very high | 94.7 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.3 | -21.9 | -177.3 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | T604 T605 V606 N614 D705 | T604-T608 WeakPolarHBondContact O-CG2 3.19Å; T604-T608 PolarHBondContact O-N 3.11Å; T604-T608 PolarHBondContact O-OG1 3.28Å; T605-T608 PolarHBondContact O-OG1 3.16Å; V606-T608 PolarHBondContact O-N 3.14Å; T608-N614 WeakPolarHBondContact O-CB 3.29Å; T608-N614 PolarHBondContact O-N 2.97Å; T608-D705 WeakPolarHBondContact CG2-OD1 3.12Å |
| 609 | N | 95.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.011 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 8.7 | -177.5 | -68.1 | -81.9 | 0 | 0 | 0 | 114.5 | F589 T605 V606 H607 N614 W618 | F589-N609 HydrophobicContact CD1-CB 3.69Å; F589-N609 HydrophobicContact CE1-CB 3.79Å; T605-N609 WeakPolarHBondContact O-CB 3.49Å; T605-N609 PolarHBondContact O-N 2.94Å; T605-N609 PolarHBondContact O-ND2 3.45Å; V606-N609 PolarHBondContact O-N 3.07Å; H607-N609 VanDerWaalsContact C-N 3.27Å; H607-N609 PolarHBondContact O-N 2.87Å; N609-N614 PolarHBondContact OD1-ND2 3.38Å; N609-W618 HydrophobicContact CB-CH2 3.94Å; N609-W618 HydrophobicContact CB-CZ3 4.27Å; N609-W618 WeakPolarHBondContact OD1-CH2 3.38Å |
| 610 | T | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -129.7 | 170.6 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 112 | F589 V606 G612 R613 L622 E624 Y627 | F589-T610 HydrophobicContact CE1-CG2 4.07Å; F589-T610 HydrophobicContact CZ-CG2 4.02Å; V606-T610 HydrophobicContact CG1-CG2 4Å; V606-T610 WeakPolarHBondContact O-CB 3.5Å; V606-T610 WeakPolarHBondContact O-CG2 3.29Å; V606-T610 PolarHBondContact O-N 2.86Å; V606-T610 PolarHBondContact O-OG1 3.09Å; T610-G612 PolarHBondContact O-N 3.36Å; T610-R613 WeakPolarHBondContact O-CG 3.16Å; T610-R613 PolarHBondContact O-N 3.08Å; T610-R613 PolarHBondContact O-NH1 3.31Å; T610-L622 HydrophobicContact CG2-CB 3.8Å; T610-E624 WeakPolarHBondContact OG1-CB 3.33Å; T610-Y627 HydrophobicContact CG2-CD2 4.4Å; T610-Y627 HydrophobicContact CG2-CE2 4Å |
| 611 | G | 92 | Very high | 93.7 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 22.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R613 L622 | G611-R613 VanDerWaalsContact C-N 3.32Å; G611-L622 PolarHBondContact N-O 3.19Å |
| 612 | G | 90 | Very high | 93.6 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 58% | 0.577 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 6.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T610 | T610-G612 PolarHBondContact O-N 3.36Š|
| 613 | R | 91.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 59 Ų | 59 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | trans | -72.8 | -30.4 | 178.9 | -61.4 | -173.7 | -166.9 | 90.6 | 1.3 | 113.3 | H607 T610 G611 E624 | H607-R613 PolarHBondContact CE1-NH2 2.95Å; H607-R613 PolarHBondContact ND1-NH1 2.8Å; H607-R613 PolarHBondContact NE2-NE 3.5Å; H607-R613 WeakPolarHBondContact O-CD 3.4Å; H607-R613 PolarHBondContact O-NH1 2.89Å; T610-R613 WeakPolarHBondContact O-CG 3.16Å; T610-R613 PolarHBondContact O-N 3.08Å; T610-R613 PolarHBondContact O-NH1 3.31Å; G611-R613 VanDerWaalsContact C-N 3.32Å; R613-E624 IonicContact CZ-OE2 3.91Å; R613-E624 IonicContact NH1-OE2 2.86Å; R613-E624 PolarHBondContact NH1-OE2 2.89Å; R613-E624 IonicContact NH2-OE2 3.84Å | ||
| 614 | N | 91.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.011 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -99.7 | 116.2 | 171 | -176.1 | -9.8 | 0 | 0 | 0 | 110.1 | T608 N609 N616 W618 A619 | T608-N614 WeakPolarHBondContact O-CB 3.29Å; T608-N614 PolarHBondContact O-N 2.97Å; N609-N614 PolarHBondContact OD1-ND2 3.38Å; N614-N616 PolarHBondContact O-N 3Å; N614-N616 WeakPolarHBondContact OD1-CB 3.22Å; N614-N616 PolarHBondContact OD1-N 3.09Å; N614-N616 PolarHBondContact OD1-ND2 3.34Å; N614-W618 WeakPolarHBondContact ND2-CZ2 3.34Å; N614-A619 HydrophobicContact CB-CB 3.75Å |
| 615 | P | 88.8 | Confident | 93.4 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 63% | 0.63 | 32% | 0.319 | S | S | * | . | trans | -74.5 | -10 | -178.3 | 31.4 | -36.5 | 0 | 0 | 0 | 114 | ||||
| 616 | N | 91.4 | Very high | 93.4 | Very high | 30 Ų | 30 | 65.5 Ų | 65.5 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -58.3 | 142.4 | 180 | -74 | -14.3 | 0 | 0 | 0 | 111.5 | N614 W618 A619 G696 | N614-N616 PolarHBondContact O-N 3Å; N614-N616 WeakPolarHBondContact OD1-CB 3.22Å; N614-N616 PolarHBondContact OD1-N 3.09Å; N614-N616 PolarHBondContact OD1-ND2 3.34Å; N616-W618 VanDerWaalsContact C-N 3.26Å; N616-W618 PolarHBondContact O-N 3.25Å; N616-W618 VanDerWaalsContact O-N 3.16Å; N616-A619 PolarHBondContact O-N 3.01Å; N616-G696 PolarHBondContact ND2-O 3.08Å; N616-G696 WeakPolarHBondContact OD1-CA 3.26Å |
| 617 | F | 91.5 | Very high | 93.4 | Very high | 173 Ų | 173 | 65.8 Ų | 65.8 | 76% | 0.759 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -54.3 | -40.6 | -174 | 179.7 | -98.1 | 0 | 0 | 0 | 113.5 | A619 | F617-A619 PolarHBondContact O-N 3.21Š|
| 618 | W | 92.2 | Very high | 93.5 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 17% | 0.167 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -67.7 | -19.5 | -179.1 | 65.2 | -101.2 | 0 | 0 | 0 | 113.8 | A586 F589 R590 I593 N609 N614 N616 L622 | A586-W618 HydrophobicContact CB-CZ2 4.43Å; F589-W618 HydrophobicContact CD1-CH2 4.41Å; F589-W618 HydrophobicContact CD1-CZ3 4.16Å; R590-W618 HydrophobicContact CB-CD2 4.28Å; R590-W618 HydrophobicContact CB-CE3 4.1Å; R590-W618 HydrophobicContact CB-CH2 4.09Å; R590-W618 HydrophobicContact CB-CZ2 4.31Å; R590-W618 HydrophobicContact CB-CZ3 4Å; R590-W618 HydrophobicContact CG-CD2 3.86Å; R590-W618 HydrophobicContact CG-CE3 3.93Å; R590-W618 HydrophobicContact CG-CG 4.16Å; R590-W618 HydrophobicContact CG-CZ3 4.35Å; I593-W618 HydrophobicContact CD1-CE3 3.42Å; I593-W618 VanDerWaalsContact CD1-CE3 3.42Å; I593-W618 HydrophobicContact CD1-CZ3 3.82Å; N609-W618 HydrophobicContact CB-CH2 3.94Å; N609-W618 HydrophobicContact CB-CZ3 4.27Å; N609-W618 WeakPolarHBondContact OD1-CH2 3.38Å; N614-W618 WeakPolarHBondContact ND2-CZ2 3.34Å; N616-W618 VanDerWaalsContact C-N 3.26Å; N616-W618 PolarHBondContact O-N 3.25Å; N616-W618 VanDerWaalsContact O-N 3.16Å; W618-L622 HydrophobicContact CE3-CD1 4.23Å; W618-L622 HydrophobicContact CZ3-CD1 4.13Å |
| 619 | A | 93.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -102.5 | -5.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N614 N616 F617 D621 L622 | N614-A619 HydrophobicContact CB-CB 3.75Å; N616-A619 PolarHBondContact O-N 3.01Å; F617-A619 PolarHBondContact O-N 3.21Å; A619-D621 PolarHBondContact O-N 3.32Å; A619-L622 HydrophobicContact CB-CD1 4.3Å; A619-L622 PolarHBondContact O-N 2.96Å |
| 620 | R | 89.7 | Confident | 93.8 | Very high | 154 Ų | 154 | 62.2 Ų | 62.2 | 58% | 0.581 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -41.5 | -167.4 | -72.4 | -176 | 174.1 | -173.2 | -3 | 114.9 | ||
| 621 | D | 90.6 | Very high | 93.8 | Very high | 157 Ų | 157 | 62.2 Ų | 62.2 | 84% | 0.84 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 18 | -172.5 | -61.8 | -45.4 | 0 | 0 | 0 | 112.8 | A619 | A619-D621 PolarHBondContact O-N 3.32Š|
| 622 | L | 96.1 | Very high | 94 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.131 | 32% | 0.316 | C | S | . | . | trans | -89.6 | 136.8 | -177.5 | -52.2 | -178.3 | 0 | 0 | 0 | 111.7 | F589 I593 T610 G611 W618 A619 | F589-L622 HydrophobicContact CE1-CD1 4Å; I593-L622 HydrophobicContact CD1-CD1 3.68Å; I593-L622 HydrophobicContact CD1-CD2 4.23Å; I593-L622 HydrophobicContact CG2-CD1 4.27Å; I593-L622 HydrophobicContact CG2-CD2 4.42Å; T610-L622 HydrophobicContact CG2-CB 3.8Å; G611-L622 PolarHBondContact N-O 3.19Å; W618-L622 HydrophobicContact CE3-CD1 4.23Å; W618-L622 HydrophobicContact CZ3-CD1 4.13Å; A619-L622 HydrophobicContact CB-CD1 4.3Å; A619-L622 PolarHBondContact O-N 2.96Å | ||
| 623 | R | 95.1 | Very high | 94.1 | Very high | 146 Ų | 146 | 65.3 Ų | 65.3 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | trans | -115.8 | 134.5 | 175.9 | -53.3 | 170.6 | 50.6 | 121.8 | -5.5 | 110.9 | D625 N626 Y627 | R623-D625 WeakPolarHBondContact CB-OD1 3.33Å; R623-D625 IonicContact CZ-OD1 2.85Å; R623-D625 IonicContact CZ-OD2 2.74Å; R623-D625 IonicContact NE-OD1 3.81Å; R623-D625 PolarHBondContact NE-OD1 3.48Å; R623-D625 IonicContact NE-OD2 3.4Å; R623-D625 IonicContact NH2-OD1 3.61Å; R623-D625 PolarHBondContact NH2-OD1 3.1Å; R623-D625 IonicContact NH2-OD2 3.5Å; R623-D625 PolarHBondContact NH2-OD2 2.81Å; R623-D625 PolarHBondContact O-N 3.18Å; R623-N626 WeakPolarHBondContact O-CB 3.47Å; R623-N626 PolarHBondContact O-N 3.31Å; R623-Y627 WeakPolarHBondContact O-CD2 3.46Å; R623-Y627 WeakPolarHBondContact O-CE2 3.02Å | ||
| 624 | E | 95.9 | Very high | 94.2 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 23% | 0.234 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -58.9 | -36.1 | -177.7 | -164.4 | 165.9 | 167.4 | 0 | 0 | 112.3 | V606 H607 T610 R613 N626 Y627 | V606-E624 HydrophobicContact CG1-CG 4.2Å; H607-E624 IonicContact CE1-OE2 3.19Å; H607-E624 IonicContact CG-OE1 3.4Å; H607-E624 IonicContact CG-OE2 2.76Å; H607-E624 IonicContact ND1-OE1 2.58Å; H607-E624 PolarHBondContact ND1-OE1 3.2Å; H607-E624 IonicContact ND1-OE2 3.44Å; H607-E624 PolarHBondContact ND1-OE2 3.5Å; T610-E624 WeakPolarHBondContact OG1-CB 3.33Å; R613-E624 IonicContact CZ-OE2 3.91Å; R613-E624 IonicContact NH1-OE2 2.86Å; R613-E624 PolarHBondContact NH1-OE2 2.89Å; R613-E624 IonicContact NH2-OE2 3.84Å; E624-N626 PolarHBondContact O-N 2.95Å; E624-N626 VanDerWaalsContact O-N 3.16Å; E624-Y627 PolarHBondContact O-N 3Å |
| 625 | D | 95.6 | Very high | 94.4 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -69.7 | -7.5 | -178.9 | 62.5 | -35.7 | 0 | 0 | 0 | 114.6 | K485 R623 Y627 | K485-D625 WeakPolarHBondContact CD-O 3.38Å; K485-D625 WeakPolarHBondContact CE-O 3.19Å; K485-D625 PolarHBondContact NZ-O 3.49Å; R623-D625 WeakPolarHBondContact CB-OD1 3.33Å; R623-D625 IonicContact CZ-OD1 2.85Å; R623-D625 IonicContact CZ-OD2 2.74Å; R623-D625 IonicContact NE-OD1 3.81Å; R623-D625 PolarHBondContact NE-OD1 3.48Å; R623-D625 IonicContact NE-OD2 3.4Å; R623-D625 IonicContact NH2-OD1 3.61Å; R623-D625 PolarHBondContact NH2-OD1 3.1Å; R623-D625 IonicContact NH2-OD2 3.5Å; R623-D625 PolarHBondContact NH2-OD2 2.81Å; R623-D625 PolarHBondContact O-N 3.18Å; D625-Y627 VanDerWaalsContact C-N 3.3Å |
| 626 | N | 96.5 | Very high | 94.7 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -81.1 | -10.1 | 175.5 | -69.7 | -15.4 | 0 | 0 | 0 | 113.3 | K485 R623 E624 | K485-N626 PolarHBondContact N-O 3.2Å; R623-N626 WeakPolarHBondContact O-CB 3.47Å; R623-N626 PolarHBondContact O-N 3.31Å; E624-N626 PolarHBondContact O-N 2.95Å; E624-N626 VanDerWaalsContact O-N 3.16Å |
| 627 | Y | 97.9 | Very high | 95 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.6 | -173.3 | -52.1 | -78.3 | 0 | 0 | 0 | 111.3 | I482 V483 E484 F589 L592 I593 V606 T610 R623 E624 D625 V639 | I482-Y627 HydrophobicContact CG2-CD1 4.45Å; V483-Y627 WeakPolarHBondContact O-CA 3.5Å; E484-Y627 HydrophobicContact CG-CD1 4.12Å; E484-Y627 HydrophobicContact CG-CE1 3.95Å; F589-Y627 AromaticContact CE2-CD1 3.86Å; F589-Y627 HydrophobicContact CE2-CD1 3.86Å; F589-Y627 HydrophobicContact CE2-CD2 4.22Å; F589-Y627 AromaticContact CE2-CE1 3.81Å; F589-Y627 HydrophobicContact CE2-CE1 3.81Å; F589-Y627 HydrophobicContact CE2-CE2 4.18Å; F589-Y627 HydrophobicContact CE2-CG 4.08Å; F589-Y627 AromaticContact CE2-CZ 3.98Å; F589-Y627 HydrophobicContact CZ-CD1 4.29Å; F589-Y627 AromaticContact CZ-CD2 3.96Å; F589-Y627 HydrophobicContact CZ-CD2 3.96Å; F589-Y627 AromaticContact CZ-CE1 3.98Å; F589-Y627 HydrophobicContact CZ-CE1 3.98Å; F589-Y627 AromaticContact CZ-CE2 3.62Å; F589-Y627 HydrophobicContact CZ-CE2 3.62Å; F589-Y627 HydrophobicContact CZ-CG 4.29Å; F589-Y627 AromaticContact CZ-CZ 3.64Å; L592-Y627 HydrophobicContact CD2-CD1 4.29Å; I593-Y627 HydrophobicContact CG2-CE1 3.94Å; I593-Y627 VanDerWaalsContact CG2-OH 3.23Å; I593-Y627 WeakPolarHBondContact CG2-OH 3.35Å; V606-Y627 HydrophobicContact CG1-CD2 3.76Å; V606-Y627 HydrophobicContact CG1-CG 4.18Å; T610-Y627 HydrophobicContact CG2-CD2 4.4Å; T610-Y627 HydrophobicContact CG2-CE2 4Å; R623-Y627 WeakPolarHBondContact O-CD2 3.46Å; R623-Y627 WeakPolarHBondContact O-CE2 3.02Å; E624-Y627 PolarHBondContact O-N 3Å; D625-Y627 VanDerWaalsContact C-N 3.3Å; Y627-V639 WeakPolarHBondContact O-CG2 3.38Å |
| 628 | E | 97.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 58.1 Ų | 58.1 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 161 | 172 | -77.9 | 175.1 | 159.7 | 0 | 0 | 109.1 | V483 K485 R636 A637 | V483-E628 HydrophobicContact CG2-CB 4.21Å; V483-E628 VanDerWaalsContact CG2-O 3.31Å; V483-E628 WeakPolarHBondContact CG2-O 3.08Å; V483-E628 PolarHBondContact N-O 3.48Å; V483-E628 PolarHBondContact O-N 3.34Å; K485-E628 HydrophobicContact CD-CG 4.11Å; K485-E628 WeakPolarHBondContact CE-OE1 3.3Å; K485-E628 HydrophobicContact CG-CG 3.62Å; E628-R636 HydrophobicContact CB-CB 4.47Å; E628-R636 WeakPolarHBondContact OE2-CD 3.26Å; E628-R636 IonicContact OE2-CZ 3.56Å; E628-R636 IonicContact OE2-NE 3.98Å; E628-R636 PolarHBondContact OE2-NE 3.44Å; E628-R636 VanDerWaalsContact OE2-NE 3.08Å; E628-R636 IonicContact OE2-NH1 3.79Å; E628-R636 PolarHBondContact OE2-NH1 3.28Å; E628-R636 IonicContact OE2-NH2 2.76Å; E628-A637 WeakPolarHBondContact CA-O 3.44Å; E628-A637 WeakPolarHBondContact CB-O 3.42Å |
| 629 | I | 98.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146 | 171.2 | 56.8 | 176.6 | 0 | 0 | 0 | 110.8 | V480 A481 I482 R636 A637 W642 C645 | V480-I629 HydrophobicContact CB-CB 4.49Å; V480-I629 HydrophobicContact CB-CG2 3.97Å; V480-I629 HydrophobicContact CG1-CD1 4.44Å; V480-I629 HydrophobicContact CG1-CG2 4.36Å; V480-I629 HydrophobicContact CG2-CG2 4.26Å; A481-I629 CarbonylContact O-C 3.57Å; A481-I629 VanDerWaalsContact O-CA 3.23Å; A481-I629 WeakPolarHBondContact O-CA 3.4Å; I482-I629 HydrophobicContact CG1-CG2 4.4Å; I629-R636 WeakPolarHBondContact O-CA 3.43Å; I629-A637 HydrophobicContact CG1-CB 4.13Å; I629-A637 WeakPolarHBondContact CG1-O 3.5Å; I629-A637 PolarHBondContact N-O 3.02Å; I629-A637 PolarHBondContact O-N 3.49Å; I629-W642 HydrophobicContact CD1-CB 4.06Å; I629-C645 HydrophobicContact CD1-CB 4.06Å; I629-C645 VanDerWaalsContact CD1-O 3.26Å; I629-C645 WeakPolarHBondContact CD1-O 3.48Å |
| 630 | L | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.8 | 176.3 | -57.1 | -178.1 | 0 | 0 | 0 | 110.7 | A481 V483 L490 I492 I598 R636 | A481-L630 HydrophobicContact CB-CB 3.97Å; A481-L630 HydrophobicContact CB-CD1 4.27Å; A481-L630 HydrophobicContact CB-CG 4.29Å; A481-L630 PolarHBondContact O-N 3.01Å; V483-L630 HydrophobicContact CG1-CD1 3.86Å; V483-L630 HydrophobicContact CG1-CD2 4.25Å; V483-L630 HydrophobicContact CG1-CG 3.96Å; V483-L630 HydrophobicContact CG2-CD2 3.67Å; V483-L630 HydrophobicContact CG2-CG 3.97Å; L490-L630 WeakPolarHBondContact O-CD2 3.31Å; I492-L630 HydrophobicContact CB-CB 4.32Å; I492-L630 HydrophobicContact CD1-CB 3.77Å; I492-L630 HydrophobicContact CD1-CD1 4.41Å; I598-L630 HydrophobicContact CD1-CD1 3.75Å; L630-R636 HydrophobicContact CD2-CG 3.85Å |
| 631 | C | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | trans | -93 | 150 | -179.8 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | I492 D633 G634 R635 C645 | I492-C631 WeakPolarHBondContact CG2-O 3.36Å; C631-D633 WeakPolarHBondContact CB-OD1 3.31Å; C631-D633 PolarHBondContact O-N 3Å; C631-D633 VanDerWaalsContact O-N 3.14Å; C631-G634 PolarHBondContact O-N 2.82Å; C631-R635 HydrophobicContact CB-CB 4.37Å; C631-R635 WeakPolarHBondContact CB-O 3.27Å; C631-R635 PolarHBondContact N-O 3.46Å; C631-C645 WeakPolarHBondContact CA-SG 3.49Å; C631-C645 HydrophobicContact CB-CB 4.1Å; C631-C645 WeakPolarHBondContact CB-SG 3.43Å; C631-C645 PolarHBondContact N-SG 3.49Å; C631-C645 WeakPolarHBondContact SG-CB 3.28Å; C631-C645 CovalentContact SG-SG 2.03Å; C631-C645 PolarHBondContact SG-SG 3.06Å | ||
| 632 | P | 95 | Very high | 96.2 | Very high | 82 Ų | 82 | 53.8 Ų | 53.8 | 53% | 0.532 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25 | 175.7 | -25.6 | 34 | 0 | 0 | 0 | 114.6 | G634 N646 L647 | P632-G634 PolarHBondContact O-N 2.95Å; P632-N646 WeakPolarHBondContact CD-O 3.38Å; P632-N646 WeakPolarHBondContact CG-O 3.49Å; P632-L647 HydrophobicContact CG-CD2 4.16Å |
| 633 | D | 93.3 | Very high | 96.1 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4 | 178.9 | 66 | 5.6 | 0 | 0 | 0 | 114 | C631 R635 | C631-D633 WeakPolarHBondContact CB-OD1 3.31Å; C631-D633 PolarHBondContact O-N 3Å; C631-D633 VanDerWaalsContact O-N 3.14Å; D633-R635 WeakPolarHBondContact OD1-CB 3.48Å; D633-R635 IonicContact OD1-CZ 3.26Å; D633-R635 PolarHBondContact OD1-N 2.85Å; D633-R635 IonicContact OD1-NE 2.71Å; D633-R635 PolarHBondContact OD1-NE 2.74Å; D633-R635 IonicContact OD1-NH2 2.83Å; D633-R635 IonicContact OD2-CZ 2.72Å; D633-R635 IonicContact OD2-NE 3.77Å; D633-R635 PolarHBondContact OD2-NE 2.04Å; D633-R635 IonicContact OD2-NH2 3.86Å; D633-R635 PolarHBondContact OD2-NH2 2.85Å |
| 634 | G | 92.8 | Very high | 96.2 | Very high | 30 Ų | 30 | 56 Ų | 56 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 87.4 | -2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C631 P632 | C631-G634 PolarHBondContact O-N 2.82Å; P632-G634 PolarHBondContact O-N 2.95Å |
| 635 | R | 94.9 | Very high | 96.3 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | trans | -78.5 | 164.3 | 172.3 | -63.5 | -176.4 | -64.2 | 109.2 | 4.6 | 111.7 | C631 D633 | C631-R635 HydrophobicContact CB-CB 4.37Å; C631-R635 WeakPolarHBondContact CB-O 3.27Å; C631-R635 PolarHBondContact N-O 3.46Å; D633-R635 WeakPolarHBondContact OD1-CB 3.48Å; D633-R635 IonicContact OD1-CZ 3.26Å; D633-R635 PolarHBondContact OD1-N 2.85Å; D633-R635 IonicContact OD1-NE 2.71Å; D633-R635 PolarHBondContact OD1-NE 2.74Å; D633-R635 IonicContact OD1-NH2 2.83Å; D633-R635 IonicContact OD2-CZ 2.72Å; D633-R635 IonicContact OD2-NE 3.77Å; D633-R635 PolarHBondContact OD2-NE 2.04Å; D633-R635 IonicContact OD2-NH2 3.86Å; D633-R635 PolarHBondContact OD2-NH2 2.85Å | ||
| 636 | R | 96.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 18% | 0.181 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 146.2 | 161.6 | -53 | -178.3 | 81.2 | -161.4 | 14.3 | 107.8 | E484 K485 E628 I629 L630 | E484-R636 PolarHBondContact O-NH2 2.82Å; K485-R636 PolarHBondContact O-NH1 3.33Å; E628-R636 HydrophobicContact CB-CB 4.47Å; E628-R636 WeakPolarHBondContact OE2-CD 3.26Å; E628-R636 IonicContact OE2-CZ 3.56Å; E628-R636 IonicContact OE2-NE 3.98Å; E628-R636 PolarHBondContact OE2-NE 3.44Å; E628-R636 VanDerWaalsContact OE2-NE 3.08Å; E628-R636 IonicContact OE2-NH1 3.79Å; E628-R636 PolarHBondContact OE2-NH1 3.28Å; E628-R636 IonicContact OE2-NH2 2.76Å; I629-R636 WeakPolarHBondContact O-CA 3.43Å; L630-R636 HydrophobicContact CD2-CG 3.85Å |
| 637 | A | 96.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E628 I629 E641 C645 | E628-A637 WeakPolarHBondContact CA-O 3.44Å; E628-A637 WeakPolarHBondContact CB-O 3.42Å; I629-A637 HydrophobicContact CG1-CB 4.13Å; I629-A637 WeakPolarHBondContact CG1-O 3.5Å; I629-A637 PolarHBondContact N-O 3.02Å; I629-A637 PolarHBondContact O-N 3.49Å; A637-E641 HydrophobicContact CB-CB 4.07Å; A637-E641 WeakPolarHBondContact CB-OE2 3.45Å; A637-C645 HydrophobicContact CB-CB 3.94Å |
| 638 | E | 97.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 148.7 | 170.6 | -64.4 | -68.6 | 170.1 | 0 | 0 | 109.7 | K485 H640 E641 | K485-E638 WeakPolarHBondContact CE-OE2 3.27Å; K485-E638 IonicContact NZ-OE1 2.98Å; K485-E638 PolarHBondContact NZ-OE1 3.45Å; K485-E638 IonicContact NZ-OE2 2.86Å; K485-E638 PolarHBondContact NZ-OE2 3.12Å; E638-H640 PolarHBondContact O-N 3.17Å; E638-H640 VanDerWaalsContact O-N 3.13Å; E638-E641 HydrophobicContact CB-CG 4.28Å; E638-E641 WeakPolarHBondContact O-CB 3.44Å; E638-E641 PolarHBondContact O-N 3.44Å |
| 639 | V | 96.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -55.1 | -37.1 | -174 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | V606 Y627 E641 W642 | V606-V639 HydrophobicContact CB-CG1 3.73Å; V606-V639 HydrophobicContact CB-CG2 4.42Å; V606-V639 HydrophobicContact CG1-CG1 4.15Å; V606-V639 HydrophobicContact CG1-CG2 4.14Å; V606-V639 HydrophobicContact CG2-CG1 4.13Å; V606-V639 HydrophobicContact CG2-CG2 4.42Å; Y627-V639 WeakPolarHBondContact O-CG2 3.38Å; V639-E641 PolarHBondContact O-N 3.22Å; V639-W642 VanDerWaalsContact O-CD1 3.3Å |
| 640 | H | 95.7 | Very high | 96.1 | Very high | 127 Ų | 127 | 52.4 Ų | 52.4 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -71 | -12.2 | -179.8 | 68.5 | 60.6 | 0 | 0 | 0 | 113.9 | E638 W642 | E638-H640 PolarHBondContact O-N 3.17Å; E638-H640 VanDerWaalsContact O-N 3.13Å; H640-W642 PolarHBondContact O-N 3.42Å |
| 641 | E | 96.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -84.6 | 11.9 | -179.9 | -59.8 | -169.5 | 170.7 | 0 | 0 | 113.1 | A637 E638 V639 L643 T644 C645 | A637-E641 HydrophobicContact CB-CB 4.07Å; A637-E641 WeakPolarHBondContact CB-OE2 3.45Å; E638-E641 HydrophobicContact CB-CG 4.28Å; E638-E641 WeakPolarHBondContact O-CB 3.44Å; E638-E641 PolarHBondContact O-N 3.44Å; V639-E641 PolarHBondContact O-N 3.22Å; E641-L643 PolarHBondContact O-N 2.9Å; E641-T644 PolarHBondContact O-N 2.88Å; E641-T644 PolarHBondContact O-OG1 3.33Å; E641-T644 VanDerWaalsContact O-OG1 3.1Å; E641-C645 PolarHBondContact O-N 3.3Å |
| 642 | W | 95.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 21% | 0.208 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -30 | -177.5 | 58.3 | -103.6 | 0 | 0 | 0 | 114.2 | Y478 V480 H603 I629 V639 H640 T644 C645 N646 | Y478-W642 AromaticContact CD2-CE3 3.51Å; Y478-W642 HydrophobicContact CD2-CE3 3.51Å; Y478-W642 HydrophobicContact CD2-CH2 4.46Å; Y478-W642 AromaticContact CD2-CZ3 3.37Å; Y478-W642 HydrophobicContact CD2-CZ3 3.37Å; Y478-W642 AromaticContact CE2-CE3 3.95Å; Y478-W642 HydrophobicContact CE2-CE3 3.95Å; Y478-W642 HydrophobicContact CE2-CH2 4.37Å; Y478-W642 AromaticContact CE2-CZ3 3.37Å; Y478-W642 HydrophobicContact CE2-CZ3 3.37Å; Y478-W642 HydrophobicContact CG-CE3 4.07Å; Y478-W642 HydrophobicContact CG-CZ3 4.32Å; V480-W642 HydrophobicContact CG1-CB 4.32Å; H603-W642 HydrophobicContact CB-CB 3.66Å; H603-W642 HydrophobicContact CB-CD2 4.11Å; H603-W642 HydrophobicContact CB-CG 3.71Å; H603-W642 AromaticContact CD2-CD1 3.93Å; H603-W642 AromaticContact CD2-CD2 3.28Å; H603-W642 AromaticContact CD2-CE2 3.38Å; H603-W642 AromaticContact CD2-CE3 3.58Å; H603-W642 AromaticContact CD2-CG 3.72Å; H603-W642 AromaticContact CD2-CZ2 3.79Å; H603-W642 AromaticContact CD2-NE1 3.75Å; H603-W642 AromaticContact CG-CD2 3.92Å; I629-W642 HydrophobicContact CD1-CB 4.06Å; V639-W642 VanDerWaalsContact O-CD1 3.3Å; H640-W642 PolarHBondContact O-N 3.42Å; W642-T644 VanDerWaalsContact C-N 3.26Å; W642-T644 PolarHBondContact O-N 3.14Å; W642-C645 VanDerWaalsContact CA-O 3.3Å; W642-C645 WeakPolarHBondContact CA-O 3.31Å; W642-C645 CarbonylContact O-C 3.59Å; W642-C645 VanDerWaalsContact O-C 3.29Å; W642-C645 PolarHBondContact O-N 3.4Å; W642-N646 WeakPolarHBondContact O-CB 3.38Å; W642-N646 PolarHBondContact O-ND2 2.9Å |
| 643 | L | 95.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 56% | 0.56 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -35.1 | 179.7 | -174.8 | 63.7 | 0 | 0 | 0 | 111.8 | Y478 E641 N646 | Y478-L643 HydrophobicContact CE2-CD1 4.44Å; E641-L643 PolarHBondContact O-N 2.9Å; L643-N646 PolarHBondContact O-ND2 2.93Å |
| 644 | T | 96.6 | Very high | 96.5 | Very high | 111 Ų | 111 | 45.5 Ų | 45.5 | 68% | 0.681 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -17.1 | 177.1 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | E641 W642 | E641-T644 PolarHBondContact O-N 2.88Å; E641-T644 PolarHBondContact O-OG1 3.33Å; E641-T644 VanDerWaalsContact O-OG1 3.1Å; W642-T644 VanDerWaalsContact C-N 3.26Å; W642-T644 PolarHBondContact O-N 3.14Å |
| 645 | C | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -129.3 | 92 | -178.8 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | I629 C631 A637 E641 W642 | I629-C645 HydrophobicContact CD1-CB 4.06Å; I629-C645 VanDerWaalsContact CD1-O 3.26Å; I629-C645 WeakPolarHBondContact CD1-O 3.48Å; C631-C645 WeakPolarHBondContact CA-SG 3.49Å; C631-C645 HydrophobicContact CB-CB 4.1Å; C631-C645 WeakPolarHBondContact CB-SG 3.43Å; C631-C645 PolarHBondContact N-SG 3.49Å; C631-C645 WeakPolarHBondContact SG-CB 3.28Å; C631-C645 CovalentContact SG-SG 2.03Å; C631-C645 PolarHBondContact SG-SG 3.06Å; A637-C645 HydrophobicContact CB-CB 3.94Å; E641-C645 PolarHBondContact O-N 3.3Å; W642-C645 VanDerWaalsContact CA-O 3.3Å; W642-C645 WeakPolarHBondContact CA-O 3.31Å; W642-C645 CarbonylContact O-C 3.59Å; W642-C645 VanDerWaalsContact O-C 3.29Å; W642-C645 PolarHBondContact O-N 3.4Å |
| 646 | N | 97.5 | Very high | 96.9 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | trans | -145.6 | 159.3 | 175.4 | 58 | 87.8 | 0 | 0 | 0 | 110.7 | Y478 V480 P632 W642 L643 G648 | Y478-N646 HydrophobicContact CD1-CB 4.02Å; Y478-N646 VanDerWaalsContact CD1-CG 3.41Å; Y478-N646 WeakPolarHBondContact CD1-OD1 3.41Å; Y478-N646 HydrophobicContact CG-CB 4.34Å; V480-N646 HydrophobicContact CG1-CB 4.5Å; P632-N646 WeakPolarHBondContact CD-O 3.38Å; P632-N646 WeakPolarHBondContact CG-O 3.49Å; W642-N646 WeakPolarHBondContact O-CB 3.38Å; W642-N646 PolarHBondContact O-ND2 2.9Å; L643-N646 PolarHBondContact O-ND2 2.93Å; N646-G648 PolarHBondContact OD1-N 2.95Å | ||
| 647 | L | 97.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -85.4 | -21.8 | 178.4 | -55.4 | -174.1 | 0 | 0 | 0 | 112.4 | A479 A481 I492 I513 F600 P632 | A479-L647 PolarHBondContact O-N 3.37Å; A481-L647 HydrophobicContact CB-CD1 3.8Å; I492-L647 HydrophobicContact CD1-CD1 4.27Å; I492-L647 HydrophobicContact CD1-CD2 3.51Å; I492-L647 HydrophobicContact CG1-CD2 4.27Å; I513-L647 HydrophobicContact CG2-CB 3.41Å; I513-L647 VanDerWaalsContact CG2-CB 3.41Å; I513-L647 HydrophobicContact CG2-CD1 4.24Å; I513-L647 HydrophobicContact CG2-CG 4.49Å; F600-L647 HydrophobicContact CD1-CD1 4.34Å; F600-L647 HydrophobicContact CE1-CD1 4.43Å; P632-L647 HydrophobicContact CG-CD2 4.16Å |
| 648 | G | 95.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | 150.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y478 A479 N646 | Y478-G648 WeakPolarHBondContact CA-O 3.39Å; A479-G648 PolarHBondContact N-O 2.66Å; N646-G648 PolarHBondContact OD1-N 2.95Å |
| 649 | K | 95.9 | Very high | 97.1 | Very high | 108 Ų | 108 | 35.7 Ų | 35.7 | 47% | 0.47 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126 | 168.4 | -173.9 | 179.6 | -176.7 | 175.1 | 0 | 109 | F476 Y478 | F476-K649 HydrophobicContact CB-CG 4.39Å; F476-K649 VanDerWaalsContact CD1-CE 3.5Å; F476-K649 HydrophobicContact CD2-CD 4.3Å; F476-K649 HydrophobicContact CD2-CG 4.22Å; F476-K649 HydrophobicContact CG-CD 4.47Å; F476-K649 HydrophobicContact CG-CG 4.43Å; Y478-K649 HydrophobicContact CD1-CB 3.98Å; Y478-K649 HydrophobicContact CD1-CG 4.32Å; Y478-K649 HydrophobicContact CE1-CB 3.7Å; Y478-K649 HydrophobicContact CE1-CD 4.15Å; Y478-K649 HydrophobicContact CE1-CG 3.81Å |
| 650 | I | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.9 | -173.1 | -57.6 | 156.4 | 0 | 0 | 0 | 108.4 | A451 F476 Y477 A479 A508 A509 I513 F727 | A451-I650 HydrophobicContact CB-CG2 3.68Å; F476-I650 CarbonylContact C-O 3.29Å; F476-I650 WeakPolarHBondContact CA-O 3.38Å; F476-I650 WeakPolarHBondContact CB-O 3.45Å; Y477-I650 HydrophobicContact CD2-CB 4.32Å; Y477-I650 HydrophobicContact CD2-CD1 4.19Å; Y477-I650 HydrophobicContact CE1-CB 4.17Å; Y477-I650 HydrophobicContact CE1-CG2 3.92Å; Y477-I650 HydrophobicContact CE2-CB 3.88Å; Y477-I650 HydrophobicContact CE2-CD1 3.44Å; Y477-I650 VanDerWaalsContact CE2-CD1 3.44Å; Y477-I650 HydrophobicContact CE2-CG1 4.28Å; Y477-I650 HydrophobicContact CE2-CG2 4.17Å; Y477-I650 PolarHBondContact N-O 3.43Å; Y477-I650 PolarHBondContact O-N 3.28Å; A479-I650 HydrophobicContact CB-CD1 3.49Å; A479-I650 VanDerWaalsContact CB-CD1 3.49Å; A508-I650 HydrophobicContact CB-CD1 3.84Å; A508-I650 HydrophobicContact CB-CG1 4.25Å; A508-I650 HydrophobicContact CB-CG2 3.58Å; A509-I650 HydrophobicContact CB-CD1 4.29Å; I513-I650 HydrophobicContact CG1-CD1 4.02Å; I513-I650 HydrophobicContact CG1-CG1 4.41Å; I650-F727 HydrophobicContact CG2-CE2 4.26Å |
| 651 | P | 97 | Very high | 97.1 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 152.6 | 173.6 | 27.4 | -34.1 | 0 | 0 | 0 | 111.4 | A451 Y477 L723 | A451-P651 HydrophobicContact CB-CG 4.09Å; Y477-P651 WeakPolarHBondContact CE1-O 3.29Å; P651-L723 HydrophobicContact CG-CD2 3.89Å |
| 652 | S | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 166.8 | -179.6 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | E469 P475 W722 | E469-S652 WeakPolarHBondContact O-CB 3.22Å; E469-S652 PolarHBondContact O-OG 2.92Å; P475-S652 VanDerWaalsContact C-CB 3.48Å; P475-S652 WeakPolarHBondContact CA-OG 3.4Å; P475-S652 WeakPolarHBondContact CB-OG 3.28Å; P475-S652 PolarHBondContact O-N 3.27Å; P475-S652 PolarHBondContact O-OG 2.65Å; S652-W722 PolarHBondContact O-NE1 2.9Å |
| 653 | N | 98.2 | Very high | 96.7 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 151.5 | 170.6 | -62.7 | -11.3 | 0 | 0 | 0 | 110.4 | T448 L449 E469 Y471 R602 | T448-N653 HydrophobicContact CG2-CB 4.15Å; L449-N653 CarbonylContact O-C 3.42Å; L449-N653 VanDerWaalsContact O-CA 3.29Å; L449-N653 WeakPolarHBondContact O-CA 3.13Å; E469-N653 VanDerWaalsContact CD-CB 3.5Å; E469-N653 HydrophobicContact CG-CB 4.23Å; E469-N653 PolarHBondContact N-O 3.49Å; E469-N653 WeakPolarHBondContact OE1-CB 3.47Å; E469-N653 PolarHBondContact OE1-ND2 3.47Å; E469-N653 PolarHBondContact OE2-ND2 3.21Å; Y471-N653 PolarHBondContact OH-N 2.96Å; R602-N653 PolarHBondContact NH2-ND2 3.23Å; R602-N653 PolarHBondContact NH2-OD1 3Å |
| 654 | V | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.1 | -177.2 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | T448 L449 L454 P465 V467 V656 I712 W722 | T448-V654 CarbonylContact C-O 3.54Å; T448-V654 WeakPolarHBondContact CA-O 3.36Å; L449-V654 PolarHBondContact N-O 2.63Å; L449-V654 PolarHBondContact O-N 3.36Å; L454-V654 HydrophobicContact CB-CG2 4.36Å; L454-V654 HydrophobicContact CD1-CG2 3.87Å; L454-V654 HydrophobicContact CD2-CG2 3.72Å; L454-V654 HydrophobicContact CG-CG2 4.18Å; P465-V654 HydrophobicContact CB-CB 3.96Å; P465-V654 HydrophobicContact CB-CG1 4.1Å; P465-V654 HydrophobicContact CB-CG2 3.92Å; V467-V654 CarbonylContact O-C 3.39Å; V467-V654 WeakPolarHBondContact O-CA 3.25Å; V467-V654 VanDerWaalsContact O-CB 3.32Å; V467-V654 WeakPolarHBondContact O-CB 3.42Å; V654-V656 HydrophobicContact CG2-CG1 3.84Å; V654-I712 HydrophobicContact CG1-CD1 3.94Å; V654-W722 HydrophobicContact CG1-CD2 4.08Å; V654-W722 VanDerWaalsContact CG1-CE2 3.42Å; V654-W722 HydrophobicContact CG1-CG 4.24Å; V654-W722 HydrophobicContact CG1-CZ2 3.86Å |
| 655 | V | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.4 | 163.9 | -164.4 | 0 | 0 | 0 | 0 | 108.7 | W397 M446 V447 V466 V467 L673 F702 | W397-V655 HydrophobicContact CH2-CB 4.49Å; W397-V655 HydrophobicContact CH2-CG1 3.68Å; W397-V655 HydrophobicContact CH2-CG2 3.94Å; W397-V655 HydrophobicContact CZ2-CG1 4.27Å; W397-V655 HydrophobicContact CZ3-CG1 4.13Å; M446-V655 HydrophobicContact CB-CG1 3.91Å; M446-V655 HydrophobicContact CE-CB 4.2Å; M446-V655 HydrophobicContact CE-CG1 3.36Å; M446-V655 HydrophobicContact CG-CG1 4.31Å; V447-V655 WeakPolarHBondContact O-CA 3.4Å; V466-V655 PolarHBondContact N-O 2.83Å; V467-V655 HydrophobicContact CB-CB 4.07Å; V467-V655 HydrophobicContact CB-CG2 4.13Å; V467-V655 PolarHBondContact N-O 3.46Å; V467-V655 PolarHBondContact O-N 2.89Å; V655-L673 HydrophobicContact CG2-CD1 4.16Å; V655-F702 HydrophobicContact CG2-CE1 3.75Å; V655-F702 HydrophobicContact CG2-CZ 4.43Å |
| 656 | V | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 158 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | M446 V447 L449 L454 L463 V464 P465 V654 | M446-V656 WeakPolarHBondContact CA-O 3.28Å; V447-V656 HydrophobicContact CG1-CG2 3.62Å; V447-V656 PolarHBondContact N-O 3Å; V447-V656 PolarHBondContact O-N 2.83Å; L449-V656 HydrophobicContact CD1-CB 4.35Å; L449-V656 HydrophobicContact CD1-CG1 3.87Å; L449-V656 HydrophobicContact CD1-CG2 3.51Å; L449-V656 HydrophobicContact CG-CG1 4.31Å; L449-V656 HydrophobicContact CG-CG2 3.94Å; L454-V656 HydrophobicContact CD1-CG1 3.57Å; L463-V656 HydrophobicContact CB-CB 4.43Å; L463-V656 HydrophobicContact CB-CG2 4.36Å; L463-V656 HydrophobicContact CD1-CG2 4.1Å; V464-V656 CarbonylContact O-C 3.58Å; V464-V656 WeakPolarHBondContact O-CA 3.26Å; V464-V656 WeakPolarHBondContact O-CB 3.3Å; P465-V656 HydrophobicContact CB-CG1 4.4Å; V654-V656 HydrophobicContact CG2-CG1 3.84Å |
| 657 | T | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 179.4 | 168.4 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | D445 L463 V464 V466 K661 R666 M669 | D445-T657 WeakPolarHBondContact O-CA 3.31Å; D445-T657 VanDerWaalsContact O-CB 3.23Å; D445-T657 WeakPolarHBondContact O-CB 3.28Å; D445-T657 PolarHBondContact O-OG1 2.69Å; L463-T657 CarbonylContact C-O 3.59Å; L463-T657 VanDerWaalsContact CA-O 3.28Å; L463-T657 WeakPolarHBondContact CA-O 3.13Å; V464-T657 HydrophobicContact CG2-CG2 4.19Å; V464-T657 PolarHBondContact N-O 2.97Å; V464-T657 PolarHBondContact O-N 3.34Å; V466-T657 HydrophobicContact CG2-CG2 3.55Å; T657-K661 HydrophobicContact CG2-CB 4.39Å; T657-K661 HydrophobicContact CG2-CG 4.41Å; T657-R666 HydrophobicContact CG2-CG 3.97Å; T657-M669 HydrophobicContact CG2-SD 3.9Å; T657-M669 WeakPolarHBondContact OG1-CE 3.48Å |
| 658 | A | 98 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 138 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I439 L463 Y660 K661 | I439-A658 HydrophobicContact CG2-CB 4.08Å; L463-A658 HydrophobicContact CD2-CB 4.22Å; A658-Y660 VanDerWaalsContact C-N 3.25Å; A658-Y660 HydrophobicContact CB-CD1 3.72Å; A658-Y660 HydrophobicContact CB-CE1 3.3Å; A658-Y660 HydrophobicContact CB-CE2 4.18Å; A658-Y660 HydrophobicContact CB-CG 4.33Å; A658-Y660 PolarHBondContact O-N 2.96Å; A658-K661 HydrophobicContact CB-CG 4.17Å; A658-K661 VanDerWaalsContact O-CB 3.27Å; A658-K661 WeakPolarHBondContact O-CB 3.34Å; A658-K661 VanDerWaalsContact O-CG 3.28Å; A658-K661 WeakPolarHBondContact O-CG 3.43Å; A658-K661 PolarHBondContact O-N 3.22Å; A658-K661 VanDerWaalsContact O-N 3.07Å |
| 659 | N | 97.5 | Very high | 95.6 | Very high | 64 Ų | 64 | 34.6 Ų | 34.6 | 34% | 0.342 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30.3 | -178 | -171.8 | 21.7 | 0 | 0 | 0 | 113.5 | D462 V464 K661 R666 | D462-N659 WeakPolarHBondContact O-CB 3.48Å; D462-N659 PolarHBondContact O-N 2.89Å; D462-N659 WeakPolarHBondContact OD1-CB 3.48Å; D462-N659 PolarHBondContact OD1-ND2 2.75Å; V464-N659 HydrophobicContact CG1-CB 3.85Å; N659-K661 PolarHBondContact O-N 2.96Å; N659-K661 VanDerWaalsContact O-N 3.16Å; N659-R666 PolarHBondContact O-NH2 2.78Å; N659-R666 PolarHBondContact OD1-NH2 2.86Å; N659-R666 VanDerWaalsContact OD1-NH2 3.13Å |
| 660 | Y | 96.5 | Very high | 95.5 | Very high | 128 Ų | 128 | 30.5 Ų | 30.5 | 50% | 0.502 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12 | 177.8 | 64.3 | -105.3 | 0 | 0 | 0 | 113.9 | I439 G442 A658 | I439-Y660 PolarHBondContact O-OH 2.97Å; G442-Y660 VanDerWaalsContact CA-OH 3.29Å; G442-Y660 WeakPolarHBondContact CA-OH 3.49Å; A658-Y660 VanDerWaalsContact C-N 3.25Å; A658-Y660 HydrophobicContact CB-CD1 3.72Å; A658-Y660 HydrophobicContact CB-CE1 3.3Å; A658-Y660 HydrophobicContact CB-CE2 4.18Å; A658-Y660 HydrophobicContact CB-CG 4.33Å; A658-Y660 PolarHBondContact O-N 2.96Å |
| 661 | K | 95.5 | Very high | 95.3 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -67.5 | 131.4 | 175.8 | -62.6 | -73.7 | -167.9 | 166.9 | 0 | 109.9 | D445 T657 A658 N659 E665 R666 M669 | D445-K661 WeakPolarHBondContact OD1-CE 3.48Å; D445-K661 IonicContact OD1-NZ 3.64Å; D445-K661 PolarHBondContact OD1-NZ 3.32Å; T657-K661 HydrophobicContact CG2-CB 4.39Å; T657-K661 HydrophobicContact CG2-CG 4.41Å; A658-K661 HydrophobicContact CB-CG 4.17Å; A658-K661 VanDerWaalsContact O-CB 3.27Å; A658-K661 WeakPolarHBondContact O-CB 3.34Å; A658-K661 VanDerWaalsContact O-CG 3.28Å; A658-K661 WeakPolarHBondContact O-CG 3.43Å; A658-K661 PolarHBondContact O-N 3.22Å; A658-K661 VanDerWaalsContact O-N 3.07Å; N659-K661 PolarHBondContact O-N 2.96Å; N659-K661 VanDerWaalsContact O-N 3.16Å; K661-E665 HydrophobicContact CB-CB 4.21Å; K661-E665 HydrophobicContact CD-CB 4.44Å; K661-E665 WeakPolarHBondContact CD-OE1 3.48Å; K661-E665 IonicContact NZ-OE1 3.34Å; K661-R666 HydrophobicContact CB-CG 4.19Å; K661-R666 PolarHBondContact O-NE 3.1Å; K661-R666 PolarHBondContact O-NH2 3.25Å; K661-M669 HydrophobicContact CD-CE 4.19Å; K661-M669 HydrophobicContact CG-CE 4.31Å |
| 662 | S | 93.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 30.6 Ų | 30.6 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | trans | -65.8 | 160.4 | 179.5 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | N664 E665 R666 | S662-N664 PolarHBondContact O-N 3.03Å; S662-E665 WeakPolarHBondContact CB-OE2 3.37Å; S662-E665 PolarHBondContact N-OE2 3.05Å; S662-E665 PolarHBondContact O-N 3.43Å; S662-E665 WeakPolarHBondContact OG-CG 3.4Å; S662-E665 PolarHBondContact OG-N 2.88Å; S662-E665 PolarHBondContact OG-OE2 3.13Å; S662-R666 WeakPolarHBondContact O-CG 3.39Å; S662-R666 PolarHBondContact O-N 3.15Å | ||
| 663 | E | 91.2 | Very high | 95.2 | Very high | 111 Ų | 111 | 30.6 Ų | 30.6 | 52% | 0.519 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -53.4 | -38.4 | 174.4 | -173.9 | 179.4 | -175 | 0 | 0 | 112.5 | R666 T667 W714 | E663-R666 PolarHBondContact O-N 3.49Å; E663-T667 VanDerWaalsContact O-CB 3.29Å; E663-T667 WeakPolarHBondContact O-CB 3.16Å; E663-T667 PolarHBondContact O-N 3.08Å; E663-T667 PolarHBondContact O-OG1 2.9Å; E663-W714 VanDerWaalsContact CA-CZ3 3.47Å; E663-W714 HydrophobicContact CB-CE3 4.02Å; E663-W714 HydrophobicContact CB-CH2 4.08Å; E663-W714 HydrophobicContact CB-CZ3 3.73Å; E663-W714 HydrophobicContact CG-CD2 4.37Å; E663-W714 HydrophobicContact CG-CE3 3.91Å; E663-W714 HydrophobicContact CG-CZ3 4.14Å |
| 664 | N | 89.2 | Confident | 95.1 | Very high | 66 Ų | 66 | 31 Ų | 31 | 35% | 0.353 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 176.1 | -72 | -24.5 | 0 | 0 | 0 | 112 | S662 T667 N668 | S662-N664 PolarHBondContact O-N 3.03Å; N664-T667 PolarHBondContact O-N 2.92Å; N664-N668 PolarHBondContact O-N 3.36Å; N664-N668 PolarHBondContact O-ND2 3.33Å |
| 665 | E | 92.5 | Very high | 94.8 | Very high | 77 Ų | 77 | 32.1 Ų | 32.1 | 36% | 0.36 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61 | -46.4 | 176.6 | -73.5 | 166.3 | 100.7 | 0 | 0 | 111.1 | K661 S662 T667 N668 M669 | K661-E665 HydrophobicContact CB-CB 4.21Å; K661-E665 HydrophobicContact CD-CB 4.44Å; K661-E665 WeakPolarHBondContact CD-OE1 3.48Å; K661-E665 IonicContact NZ-OE1 3.34Å; S662-E665 WeakPolarHBondContact CB-OE2 3.37Å; S662-E665 PolarHBondContact N-OE2 3.05Å; S662-E665 PolarHBondContact O-N 3.43Å; S662-E665 WeakPolarHBondContact OG-CG 3.4Å; S662-E665 PolarHBondContact OG-N 2.88Å; S662-E665 PolarHBondContact OG-OE2 3.13Å; E665-T667 VanDerWaalsContact C-N 3.31Å; E665-T667 PolarHBondContact O-N 3.11Å; E665-N668 PolarHBondContact O-N 3.44Å; E665-N668 VanDerWaalsContact O-N 3.16Å; E665-M669 WeakPolarHBondContact O-CG 3.42Å; E665-M669 PolarHBondContact O-N 3.4Å |
| 666 | R | 94.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 32 Ų | 32 | 3% | 0.034 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 177.3 | -58 | -169.6 | -152.5 | 175.3 | -5.1 | 112.2 | V466 T657 N659 K661 S662 E663 M669 W670 W714 | V466-R666 HydrophobicContact CG1-CB 4.06Å; V466-R666 HydrophobicContact CG2-CB 4.28Å; V466-R666 HydrophobicContact CG2-CG 4.21Å; T657-R666 HydrophobicContact CG2-CG 3.97Å; N659-R666 PolarHBondContact O-NH2 2.78Å; N659-R666 PolarHBondContact OD1-NH2 2.86Å; N659-R666 VanDerWaalsContact OD1-NH2 3.13Å; K661-R666 HydrophobicContact CB-CG 4.19Å; K661-R666 PolarHBondContact O-NE 3.1Å; K661-R666 PolarHBondContact O-NH2 3.25Å; S662-R666 WeakPolarHBondContact O-CG 3.39Å; S662-R666 PolarHBondContact O-N 3.15Å; E663-R666 PolarHBondContact O-N 3.49Å; R666-M669 WeakPolarHBondContact O-CB 3.28Å; R666-M669 PolarHBondContact O-N 3.15Å; R666-W670 PolarHBondContact O-N 2.8Å; R666-W714 HydrophobicContact CG-CZ3 4.44Å; R666-W714 VanDerWaalsContact CZ-CH2 3.43Å; R666-W714 VanDerWaalsContact NH1-CZ3 3.28Å |
| 667 | T | 91.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 174.4 | -59 | 0 | 0 | 0 | 0 | 111.4 | Q166 E663 N664 E665 W670 R671 | Q166-T667 VanDerWaalsContact NE2-CG2 3.32Å; E663-T667 VanDerWaalsContact O-CB 3.29Å; E663-T667 WeakPolarHBondContact O-CB 3.16Å; E663-T667 PolarHBondContact O-N 3.08Å; E663-T667 PolarHBondContact O-OG1 2.9Å; N664-T667 PolarHBondContact O-N 2.92Å; E665-T667 VanDerWaalsContact C-N 3.31Å; E665-T667 PolarHBondContact O-N 3.11Å; T667-W670 PolarHBondContact O-N 3.23Å; T667-R671 HydrophobicContact CG2-CG 4.32Å; T667-R671 WeakPolarHBondContact O-CB 3.34Å; T667-R671 VanDerWaalsContact O-CG 3.27Å; T667-R671 WeakPolarHBondContact O-CG 3.26Å; T667-R671 PolarHBondContact O-N 3.43Å |
| 668 | N | 92.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.053 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 175.1 | -76.3 | -62.6 | 0 | 0 | 0 | 112.2 | I165 Q166 C167 L392 N664 E665 W670 R671 L672 | I165-N668 PolarHBondContact O-ND2 2.96Å; I165-N668 PolarHBondContact O-OD1 3.21Å; Q166-N668 WeakPolarHBondContact CA-OD1 3.05Å; C167-N668 PolarHBondContact N-OD1 3.19Å; L392-N668 HydrophobicContact CD1-CB 4.1Å; L392-N668 WeakPolarHBondContact CD1-ND2 3.43Å; N664-N668 PolarHBondContact O-N 3.36Å; N664-N668 PolarHBondContact O-ND2 3.33Å; E665-N668 PolarHBondContact O-N 3.44Å; E665-N668 VanDerWaalsContact O-N 3.16Å; N668-W670 VanDerWaalsContact C-N 3.34Å; N668-R671 PolarHBondContact O-N 3.23Å; N668-L672 WeakPolarHBondContact O-CB 3.45Å; N668-L672 PolarHBondContact O-N 3.03Å |
| 669 | M | 95.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 4% | 0.044 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | 172.1 | -68.1 | 171.6 | -174.4 | 0 | 0 | 111.5 | L395 D445 M446 T657 K661 E665 R666 L673 | L395-M669 HydrophobicContact CD1-CB 4.24Å; L395-M669 HydrophobicContact CD1-CG 3.68Å; D445-M669 HydrophobicContact CB-CE 4Å; M446-M669 HydrophobicContact CE-CB 3.85Å; M446-M669 HydrophobicContact CE-CG 4.49Å; M446-M669 HydrophobicContact CG-CG 4.33Å; M446-M669 HydrophobicContact CG-SD 4.03Å; M446-M669 HydrophobicContact SD-CB 3.57Å; M446-M669 VanDerWaalsContact SD-CB 3.57Å; M446-M669 HydrophobicContact SD-CG 3.62Å; M446-M669 HydrophobicContact SD-SD 4.08Å; T657-M669 HydrophobicContact CG2-SD 3.9Å; T657-M669 WeakPolarHBondContact OG1-CE 3.48Å; K661-M669 HydrophobicContact CD-CE 4.19Å; K661-M669 HydrophobicContact CG-CE 4.31Å; E665-M669 WeakPolarHBondContact O-CG 3.42Å; E665-M669 PolarHBondContact O-N 3.4Å; R666-M669 WeakPolarHBondContact O-CB 3.28Å; R666-M669 PolarHBondContact O-N 3.15Å; M669-L673 PolarHBondContact O-N 3.47Å |
| 670 | W | 95.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 8% | 0.08 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -48.9 | 173.5 | 164.7 | -117.3 | 0 | 0 | 0 | 112.1 | V467 R666 T667 N668 L672 L673 Q674 L709 L711 | V467-W670 HydrophobicContact CB-CE3 4.47Å; V467-W670 HydrophobicContact CG1-CE3 3.97Å; V467-W670 HydrophobicContact CG1-CZ3 3.85Å; V467-W670 HydrophobicContact CG2-CB 4.45Å; V467-W670 HydrophobicContact CG2-CE3 3.68Å; V467-W670 HydrophobicContact CG2-CZ3 4.41Å; R666-W670 PolarHBondContact O-N 2.8Å; T667-W670 PolarHBondContact O-N 3.23Å; N668-W670 VanDerWaalsContact C-N 3.34Å; W670-L672 VanDerWaalsContact C-N 3.3Å; W670-L672 PolarHBondContact O-N 3.34Å; W670-L673 CarbonylContact O-C 3.52Å; W670-L673 PolarHBondContact O-N 2.87Å; W670-L673 VanDerWaalsContact O-N 3.09Å; W670-Q674 HydrophobicContact CD2-CB 4.32Å; W670-Q674 HydrophobicContact CH2-CB 4.29Å; W670-Q674 HydrophobicContact CH2-CG 4.23Å; W670-Q674 HydrophobicContact CZ2-CB 3.97Å; W670-Q674 HydrophobicContact CZ2-CG 3.73Å; W670-Q674 WeakPolarHBondContact O-CB 3.09Å; W670-Q674 PolarHBondContact O-N 3.2Å; W670-L709 HydrophobicContact CH2-CB 4.49Å; W670-L709 WeakPolarHBondContact CH2-O 3.43Å; W670-L709 HydrophobicContact CZ3-CB 3.94Å; W670-L711 HydrophobicContact CB-CD1 3.87Å; W670-L711 HydrophobicContact CD2-CB 3.83Å; W670-L711 HydrophobicContact CD2-CD1 4.27Å; W670-L711 HydrophobicContact CE3-CB 4.33Å; W670-L711 HydrophobicContact CG-CB 4.12Å; W670-L711 HydrophobicContact CG-CD1 3.78Å; W670-L711 HydrophobicContact CG-CD2 4.4Å; W670-L711 HydrophobicContact CG-CG 4.32Å; W670-L711 HydrophobicContact CZ2-CB 4.15Å |
| 671 | R | 92.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 37 Ų | 37 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | -179.6 | -73.2 | -61.5 | -169.2 | -148.1 | 1.1 | 112.1 | D196 T667 N668 L673 Q674 Y675 | D196-R671 VanDerWaalsContact CG-NH2 3.27Å; D196-R671 IonicContact OD1-NH2 3.81Å; D196-R671 PolarHBondContact OD1-NH2 3.45Å; D196-R671 IonicContact OD2-CZ 3.75Å; D196-R671 IonicContact OD2-NH1 2.92Å; D196-R671 PolarHBondContact OD2-NH1 3.34Å; D196-R671 IonicContact OD2-NH2 3.37Å; D196-R671 PolarHBondContact OD2-NH2 3.15Å; T667-R671 HydrophobicContact CG2-CG 4.32Å; T667-R671 WeakPolarHBondContact O-CB 3.34Å; T667-R671 VanDerWaalsContact O-CG 3.27Å; T667-R671 WeakPolarHBondContact O-CG 3.26Å; T667-R671 PolarHBondContact O-N 3.43Å; N668-R671 PolarHBondContact O-N 3.23Å; R671-L673 VanDerWaalsContact C-N 3.33Å; R671-L673 PolarHBondContact O-N 3.15Å; R671-Q674 PolarHBondContact O-N 3.31Å; R671-Y675 VanDerWaalsContact O-CD2 3.27Å; R671-Y675 WeakPolarHBondContact O-CD2 3.46Å; R671-Y675 PolarHBondContact O-N 3.09Å |
| 672 | L | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.5 | -51 | 174.4 | 179.3 | 69.2 | 0 | 0 | 0 | 110.8 | L395 F415 I420 P422 M424 N668 W670 G676 | L395-L672 HydrophobicContact CB-CD2 4.24Å; L395-L672 HydrophobicContact CD1-CD2 3.65Å; L395-L672 HydrophobicContact CD2-CD2 3.94Å; L395-L672 HydrophobicContact CG-CD2 4.16Å; F415-L672 HydrophobicContact CD2-CD1 3.86Å; F415-L672 HydrophobicContact CD2-CG 4.13Å; F415-L672 HydrophobicContact CE2-CD1 4.36Å; F415-L672 HydrophobicContact CE2-CG 4.15Å; I420-L672 HydrophobicContact CB-CD1 4.44Å; I420-L672 HydrophobicContact CG2-CD1 3.68Å; P422-L672 WeakPolarHBondContact O-CD1 3.08Å; M424-L672 HydrophobicContact CB-CD2 4.36Å; M424-L672 HydrophobicContact SD-CD2 4.46Å; N668-L672 WeakPolarHBondContact O-CB 3.45Å; N668-L672 PolarHBondContact O-N 3.03Å; W670-L672 VanDerWaalsContact C-N 3.3Å; W670-L672 PolarHBondContact O-N 3.34Å; L672-G676 PolarHBondContact O-N 2.54Å |
| 673 | L | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.9 | -34.7 | 178.7 | -69.6 | -178.9 | 0 | 0 | 0 | 113 | W397 M446 V467 V655 M669 W670 R671 G676 Q677 M690 F702 L709 | W397-L673 HydrophobicContact CH2-CD1 4.16Å; W397-L673 HydrophobicContact CH2-CD2 4.06Å; W397-L673 HydrophobicContact CZ3-CD1 4.09Å; W397-L673 HydrophobicContact CZ3-CD2 3.75Å; W397-L673 HydrophobicContact CZ3-CG 4.33Å; M446-L673 HydrophobicContact CE-CD1 3.57Å; M446-L673 HydrophobicContact CE-CG 4.28Å; V467-L673 HydrophobicContact CB-CD1 4.42Å; V467-L673 HydrophobicContact CG1-CD1 4.36Å; V467-L673 HydrophobicContact CG2-CD1 4.08Å; V655-L673 HydrophobicContact CG2-CD1 4.16Å; M669-L673 PolarHBondContact O-N 3.47Å; W670-L673 CarbonylContact O-C 3.52Å; W670-L673 PolarHBondContact O-N 2.87Å; W670-L673 VanDerWaalsContact O-N 3.09Å; R671-L673 VanDerWaalsContact C-N 3.33Å; R671-L673 PolarHBondContact O-N 3.15Å; L673-G676 PolarHBondContact O-N 2.74Å; L673-Q677 WeakPolarHBondContact O-CB 3.35Å; L673-Q677 PolarHBondContact O-N 2.77Å; L673-M690 HydrophobicContact CD2-CE 3.78Å; L673-F702 HydrophobicContact CD2-CZ 4.22Å; L673-L709 HydrophobicContact CB-CD1 4.12Å; L673-L709 HydrophobicContact CD1-CD1 4.25Å |
| 674 | Q | 95.2 | Very high | 91.9 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 179.2 | -166.8 | -176.3 | 10.6 | 0 | 0 | 111.6 | F194 W670 R671 G676 Q677 E678 | F194-Q674 HydrophobicContact CD1-CG 4.06Å; F194-Q674 VanDerWaalsContact CD1-NE2 3.33Å; F194-Q674 HydrophobicContact CD2-CG 4.44Å; F194-Q674 HydrophobicContact CE1-CG 3.65Å; F194-Q674 HydrophobicContact CE2-CG 4.05Å; F194-Q674 HydrophobicContact CG-CG 4.44Å; F194-Q674 HydrophobicContact CZ-CB 4.21Å; F194-Q674 HydrophobicContact CZ-CG 3.64Å; W670-Q674 HydrophobicContact CD2-CB 4.32Å; W670-Q674 HydrophobicContact CH2-CB 4.29Å; W670-Q674 HydrophobicContact CH2-CG 4.23Å; W670-Q674 HydrophobicContact CZ2-CB 3.97Å; W670-Q674 HydrophobicContact CZ2-CG 3.73Å; W670-Q674 WeakPolarHBondContact O-CB 3.09Å; W670-Q674 PolarHBondContact O-N 3.2Å; R671-Q674 PolarHBondContact O-N 3.31Å; Q674-G676 VanDerWaalsContact C-N 3.33Å; Q674-Q677 PolarHBondContact O-N 3.1Å; Q674-E678 PolarHBondContact O-N 3.12Å |
| 675 | Y | 93.8 | Very high | 91.6 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -38.9 | 171.4 | -82.2 | -74.4 | 0 | 0 | 0 | 111.6 | N168 P193 F194 I420 R671 Q677 E678 Y679 | N168-Y675 HydrophobicContact CB-CD2 3.85Å; N168-Y675 HydrophobicContact CB-CE2 3.31Å; N168-Y675 PolarHBondContact O-OH 2.81Å; P193-Y675 HydrophobicContact CG-CE1 3.98Å; F194-Y675 HydrophobicContact CE2-CD1 4.21Å; F194-Y675 AromaticContact CE2-CD2 3.93Å; F194-Y675 HydrophobicContact CE2-CD2 3.93Å; F194-Y675 AromaticContact CE2-CE1 3.9Å; F194-Y675 HydrophobicContact CE2-CE1 3.9Å; F194-Y675 AromaticContact CE2-CE2 3.56Å; F194-Y675 HydrophobicContact CE2-CE2 3.56Å; F194-Y675 HydrophobicContact CE2-CG 4.23Å; F194-Y675 AromaticContact CE2-CZ 3.55Å; F194-Y675 AromaticContact CZ-CD1 3.81Å; F194-Y675 HydrophobicContact CZ-CD1 3.81Å; F194-Y675 HydrophobicContact CZ-CD2 4.08Å; F194-Y675 AromaticContact CZ-CE1 3.88Å; F194-Y675 HydrophobicContact CZ-CE1 3.88Å; F194-Y675 HydrophobicContact CZ-CE2 4.1Å; F194-Y675 AromaticContact CZ-CG 3.93Å; F194-Y675 HydrophobicContact CZ-CG 3.93Å; I420-Y675 HydrophobicContact CG2-CG 4.38Å; R671-Y675 VanDerWaalsContact O-CD2 3.27Å; R671-Y675 WeakPolarHBondContact O-CD2 3.46Å; R671-Y675 PolarHBondContact O-N 3.09Å; Y675-Q677 VanDerWaalsContact C-N 3.31Å; Y675-Q677 PolarHBondContact O-N 2.95Å; Y675-E678 PolarHBondContact O-N 3.38Å; Y675-Y679 HydrophobicContact CD1-CE2 4.11Å; Y675-Y679 WeakPolarHBondContact O-CD2 3.23Å; Y675-Y679 PolarHBondContact O-N 3Å |
| 676 | G | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.6 | -47.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F415 L672 L673 Q674 Y679 Y680 | F415-G676 VanDerWaalsContact CZ-CA 3.42Å; L672-G676 PolarHBondContact O-N 2.54Å; L673-G676 PolarHBondContact O-N 2.74Å; Q674-G676 VanDerWaalsContact C-N 3.33Å; G676-Y679 PolarHBondContact O-N 2.69Å; G676-Y680 VanDerWaalsContact O-CB 3.3Å; G676-Y680 WeakPolarHBondContact O-CB 3.42Å; G676-Y680 WeakPolarHBondContact O-CD2 3.46Å; G676-Y680 PolarHBondContact O-N 3.02Å |
| 677 | Q | 94.4 | Very high | 90.8 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 16% | 0.159 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.4 | -179.5 | 177.5 | -85.6 | 0 | 0 | 112.2 | L673 Q674 Y675 Y679 Y680 S681 M690 F691 S708 | L673-Q677 WeakPolarHBondContact O-CB 3.35Å; L673-Q677 PolarHBondContact O-N 2.77Å; Q674-Q677 PolarHBondContact O-N 3.1Å; Y675-Q677 VanDerWaalsContact C-N 3.31Å; Y675-Q677 PolarHBondContact O-N 2.95Å; Q677-Y679 PolarHBondContact O-N 2.78Å; Q677-Y680 PolarHBondContact O-N 3.26Å; Q677-S681 WeakPolarHBondContact O-CB 3.48Å; Q677-S681 PolarHBondContact O-N 3.38Å; Q677-S681 PolarHBondContact O-OG 3.45Å; Q677-M690 HydrophobicContact CB-SD 4.16Å; Q677-F691 HydrophobicContact CG-CE2 4.26Å; Q677-F691 HydrophobicContact CG-CZ 4.17Å; Q677-S708 VanDerWaalsContact OE1-CA 3.23Å |
| 678 | E | 91.2 | Very high | 90.9 | Very high | 118 Ų | 118 | 46.5 Ų | 46.5 | 55% | 0.551 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -54.7 | -39 | 179.8 | -177.9 | 58.9 | -157.4 | 0 | 0 | 112.2 | F194 Q674 Y675 | F194-E678 HydrophobicContact CE1-CB 4.27Å; Q674-E678 PolarHBondContact O-N 3.12Å; Y675-E678 PolarHBondContact O-N 3.38Å |
| 679 | Y | 91 | Very high | 90.9 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -88.9 | -27.9 | 179.9 | -66.3 | -59.6 | 0 | 0 | 0 | 114.5 | K418 I420 Y675 G676 Q677 | K418-Y679 HydrophobicContact CB-CD2 4.3Å; K418-Y679 HydrophobicContact CB-CE2 4.41Å; K418-Y679 HydrophobicContact CD-CD1 4.32Å; K418-Y679 HydrophobicContact CD-CE1 4.49Å; K418-Y679 HydrophobicContact CD-CG 4.39Å; K418-Y679 HydrophobicContact CG-CD2 4.26Å; K418-Y679 HydrophobicContact CG-CG 4.28Å; I420-Y679 HydrophobicContact CD1-CD2 3.94Å; I420-Y679 HydrophobicContact CD1-CE2 4.39Å; I420-Y679 HydrophobicContact CG1-CD2 4.5Å; I420-Y679 HydrophobicContact CG1-CE2 4.49Å; Y675-Y679 HydrophobicContact CD1-CE2 4.11Å; Y675-Y679 WeakPolarHBondContact O-CD2 3.23Å; Y675-Y679 PolarHBondContact O-N 3Å; G676-Y679 PolarHBondContact O-N 2.69Å; Q677-Y679 PolarHBondContact O-N 2.78Å |
| 680 | Y | 94.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -131.9 | 14.6 | -164.5 | -57.8 | -65.8 | 0 | 0 | 0 | 115 | A414 F415 K418 G676 Q677 S682 V687 F688 M690 | A414-Y680 HydrophobicContact CB-CD2 4.43Å; A414-Y680 HydrophobicContact CB-CE1 4.2Å; A414-Y680 HydrophobicContact CB-CE2 3.84Å; A414-Y680 PolarHBondContact O-OH 2.76Å; F415-Y680 HydrophobicContact CD1-CD2 4.01Å; F415-Y680 HydrophobicContact CD1-CE2 4.03Å; F415-Y680 AromaticContact CE1-CD2 3.95Å; F415-Y680 HydrophobicContact CE1-CD2 3.95Å; F415-Y680 HydrophobicContact CE1-CE2 4.44Å; K418-Y680 HydrophobicContact CG-CE2 4.14Å; K418-Y680 WeakPolarHBondContact CG-OH 3.26Å; G676-Y680 VanDerWaalsContact O-CB 3.3Å; G676-Y680 WeakPolarHBondContact O-CB 3.42Å; G676-Y680 WeakPolarHBondContact O-CD2 3.46Å; G676-Y680 PolarHBondContact O-N 3.02Å; Q677-Y680 PolarHBondContact O-N 3.26Å; Y680-S682 VanDerWaalsContact C-N 3.28Å; Y680-V687 HydrophobicContact CE1-CB 4.37Å; Y680-V687 HydrophobicContact CE1-CG1 4.41Å; Y680-F688 HydrophobicContact CD1-CB 4.03Å; Y680-F688 HydrophobicContact CD1-CD1 4.25Å; Y680-F688 VanDerWaalsContact CD1-O 3.29Å; Y680-F688 WeakPolarHBondContact CD1-O 3.34Å; Y680-F688 HydrophobicContact CD2-CD1 4.29Å; Y680-F688 HydrophobicContact CE1-CB 4.28Å; Y680-F688 AromaticContact CG-CD1 3.88Å; Y680-F688 HydrophobicContact CG-CD1 3.88Å; Y680-M690 VanDerWaalsContact O-CB 3.31Å; Y680-M690 WeakPolarHBondContact O-CB 3.17Å; Y680-M690 PolarHBondContact O-N 3.41Å |
| 681 | S | 90.6 | Very high | 90.9 | Very high | 50 Ų | 50 | 47 Ų | 47 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | trans | -72.9 | -19.7 | 173.2 | 67 | 0 | 0 | 0 | 0 | 113.8 | Q677 D683 | Q677-S681 WeakPolarHBondContact O-CB 3.48Å; Q677-S681 PolarHBondContact O-N 3.38Å; Q677-S681 PolarHBondContact O-OG 3.45Å; S681-D683 PolarHBondContact O-N 3.16Å | ||
| 682 | S | 87 | Confident | 90.9 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | trans | -69.7 | 126.6 | -177.6 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | Y680 N684 D685 | Y680-S682 VanDerWaalsContact C-N 3.28Å; S682-N684 PolarHBondContact O-N 3.09Å; S682-N684 PolarHBondContact OG-N 2.87Å; S682-D685 PolarHBondContact O-N 3.28Å; S682-D685 VanDerWaalsContact O-N 3.15Å | ||
| 683 | D | 81.9 | Confident | 90.7 | Very high | 95 Ų | 95 | 48.6 Ų | 48.6 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.5 | 175.1 | -65.6 | -28.9 | 0 | 0 | 0 | 114.5 | S681 Q689 N692 | S681-D683 PolarHBondContact O-N 3.16Å; D683-Q689 VanDerWaalsContact O-CD 3.22Å; D683-Q689 PolarHBondContact O-NE2 3Å; D683-Q689 PolarHBondContact O-OE1 2.69Å; D683-N692 WeakPolarHBondContact CA-ND2 3.48Å; D683-N692 PolarHBondContact OD1-ND2 3.04Å |
| 684 | N | 82.6 | Confident | 90.1 | Very high | 143 Ų | 143 | 51.5 Ų | 51.5 | 77% | 0.765 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 9 | -178.9 | -64.2 | -55.4 | 0 | 0 | 0 | 113 | S682 P686 | S682-N684 PolarHBondContact O-N 3.09Å; S682-N684 PolarHBondContact OG-N 2.87Å; N684-P686 WeakPolarHBondContact O-CD 3.4Å |
| 685 | D | 82.4 | Confident | 89.3 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | trans | -64.6 | 125.3 | 176.2 | -169.5 | -77.9 | 0 | 0 | 0 | 109.9 | S682 V687 F688 Q689 | S682-D685 PolarHBondContact O-N 3.28Å; S682-D685 VanDerWaalsContact O-N 3.15Å; D685-V687 VanDerWaalsContact C-N 3.3Å; D685-V687 PolarHBondContact O-N 3.07Å; D685-V687 WeakPolarHBondContact OD1-CA 3.18Å; D685-V687 VanDerWaalsContact OD1-CB 3.25Å; D685-V687 WeakPolarHBondContact OD1-CB 3.47Å; D685-V687 PolarHBondContact OD1-N 2.83Å; D685-F688 WeakPolarHBondContact CB-O 3.48Å; D685-F688 PolarHBondContact OD1-N 3.16Å; D685-Q689 PolarHBondContact O-NE2 2.74Å | ||
| 686 | P | 83.8 | Confident | 88.7 | Confident | 127 Ų | 127 | 57.3 Ų | 57.3 | 83% | 0.825 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -79.5 | -12 | -176.3 | 32.1 | -35.6 | 0 | 0 | 0 | 113.4 | N684 | N684-P686 WeakPolarHBondContact O-CD 3.4Š|
| 687 | V | 86.3 | Confident | 88.4 | Confident | 101 Ų | 101 | 59 Ų | 59 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -94 | -52.9 | -177.2 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | Y680 D685 | Y680-V687 HydrophobicContact CE1-CB 4.37Å; Y680-V687 HydrophobicContact CE1-CG1 4.41Å; D685-V687 VanDerWaalsContact C-N 3.3Å; D685-V687 PolarHBondContact O-N 3.07Å; D685-V687 WeakPolarHBondContact OD1-CA 3.18Å; D685-V687 VanDerWaalsContact OD1-CB 3.25Å; D685-V687 WeakPolarHBondContact OD1-CB 3.47Å; D685-V687 PolarHBondContact OD1-N 2.83Å |
| 688 | F | 92.6 | Very high | 88.3 | Confident | 5 Ų | 5 | 60 Ų | 60 | 2% | 0.022 | 33% | 0.327 | C | S | . | . | trans | -161 | 137.9 | -177.8 | 176.1 | -109 | 0 | 0 | 0 | 111.2 | K407 R410 M411 A414 Y680 D685 M690 | K407-F688 HydrophobicContact CG-CE2 4.2Å; R410-F688 HydrophobicContact CB-CD2 4.09Å; R410-F688 HydrophobicContact CB-CE2 4.28Å; M411-F688 HydrophobicContact CB-CE1 3.88Å; M411-F688 HydrophobicContact CB-CE2 4.04Å; M411-F688 HydrophobicContact CB-CZ 3.47Å; M411-F688 VanDerWaalsContact CB-CZ 3.47Å; M411-F688 HydrophobicContact CG-CE1 3.68Å; M411-F688 HydrophobicContact CG-CZ 3.68Å; M411-F688 HydrophobicContact SD-CE1 4.48Å; M411-F688 HydrophobicContact SD-CZ 4.28Å; A414-F688 HydrophobicContact CB-CB 3.71Å; A414-F688 HydrophobicContact CB-CD1 4.02Å; A414-F688 HydrophobicContact CB-CG 3.96Å; Y680-F688 HydrophobicContact CD1-CB 4.03Å; Y680-F688 HydrophobicContact CD1-CD1 4.25Å; Y680-F688 VanDerWaalsContact CD1-O 3.29Å; Y680-F688 WeakPolarHBondContact CD1-O 3.34Å; Y680-F688 HydrophobicContact CD2-CD1 4.29Å; Y680-F688 HydrophobicContact CE1-CB 4.28Å; Y680-F688 AromaticContact CG-CD1 3.88Å; Y680-F688 HydrophobicContact CG-CD1 3.88Å; D685-F688 WeakPolarHBondContact CB-O 3.48Å; D685-F688 PolarHBondContact OD1-N 3.16Å; F688-M690 HydrophobicContact CE1-CB 4.05Å; F688-M690 HydrophobicContact CE1-CG 4.41Å | ||
| 689 | Q | 93.7 | Very high | 88.4 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | trans | -115.6 | 116.6 | 177.4 | -57.9 | 176.1 | 3.3 | 0 | 0 | 108.4 | D683 D685 N692 | D683-Q689 VanDerWaalsContact O-CD 3.22Å; D683-Q689 PolarHBondContact O-NE2 3Å; D683-Q689 PolarHBondContact O-OE1 2.69Å; D685-Q689 PolarHBondContact O-NE2 2.74Å; Q689-N692 HydrophobicContact CB-CB 3.92Å; Q689-N692 VanDerWaalsContact OE1-CB 3.26Å; Q689-N692 PolarHBondContact OE1-ND2 3.28Å | ||
| 690 | M | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -67.6 | -45.1 | -171.5 | -171.2 | 170.2 | 179.3 | 0 | 0 | 112.1 | K407 L673 Q677 Y680 F688 F702 L709 | K407-M690 VanDerWaalsContact CE-O 3.31Å; K407-M690 WeakPolarHBondContact CE-O 3.37Å; K407-M690 PolarHBondContact NZ-O 3.18Å; K407-M690 VanDerWaalsContact NZ-O 3.13Å; L673-M690 HydrophobicContact CD2-CE 3.78Å; Q677-M690 HydrophobicContact CB-SD 4.16Å; Y680-M690 VanDerWaalsContact O-CB 3.31Å; Y680-M690 WeakPolarHBondContact O-CB 3.17Å; Y680-M690 PolarHBondContact O-N 3.41Å; F688-M690 HydrophobicContact CE1-CB 4.05Å; F688-M690 HydrophobicContact CE1-CG 4.41Å; M690-F702 HydrophobicContact CE-CD2 4.36Å; M690-F702 HydrophobicContact CE-CE2 3.52Å; M690-F702 HydrophobicContact CE-CZ 3.86Å; M690-F702 HydrophobicContact CG-CD2 4.22Å; M690-F702 HydrophobicContact CG-CE2 4.14Å; M690-L709 HydrophobicContact CE-CD1 3.51Å |
| 691 | F | 94.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -93.3 | -22.7 | -174.6 | -53.8 | -48.5 | 0 | 0 | 0 | 113.5 | Q677 F702 D704 T706 L709 | Q677-F691 HydrophobicContact CG-CE2 4.26Å; Q677-F691 HydrophobicContact CG-CZ 4.17Å; F691-F702 HydrophobicContact CD1-CB 4.02Å; F691-F702 HydrophobicContact CD1-CD2 4.22Å; F691-F702 HydrophobicContact CD1-CG 4.2Å; F691-F702 HydrophobicContact CE1-CD2 4.33Å; F691-F702 HydrophobicContact CE1-CG 4.38Å; F691-D704 WeakPolarHBondContact O-CA 3.23Å; F691-T706 VanDerWaalsContact CB-O 3.32Å; F691-T706 WeakPolarHBondContact CB-O 3.03Å; F691-T706 HydrophobicContact CD1-CG2 3.56Å; F691-T706 HydrophobicContact CD2-CG2 4.35Å; F691-T706 WeakPolarHBondContact CD2-O 3.46Å; F691-T706 HydrophobicContact CE1-CG2 3.59Å; F691-T706 HydrophobicContact CE2-CG2 4.35Å; F691-T706 HydrophobicContact CG-CG2 3.98Å; F691-T706 VanDerWaalsContact CG-O 3.26Å; F691-T706 WeakPolarHBondContact CG-O 3.26Å; F691-T706 HydrophobicContact CZ-CG2 4.01Å; F691-L709 HydrophobicContact CE1-CD1 4.23Å; F691-L709 HydrophobicContact CE1-CD2 4.06Å; F691-L709 HydrophobicContact CE1-CG 3.82Å; F691-L709 HydrophobicContact CZ-CD1 4.46Å; F691-L709 HydrophobicContact CZ-CG 3.89Å |
| 692 | N | 92 | Very high | 89 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | trans | -81.5 | 137.8 | 177.2 | -69 | -36.6 | 0 | 0 | 0 | 113.2 | K407 D683 Q689 | K407-N692 WeakPolarHBondContact CE-O 3.34Å; K407-N692 PolarHBondContact NZ-O 3.34Å; D683-N692 WeakPolarHBondContact CA-ND2 3.48Å; D683-N692 PolarHBondContact OD1-ND2 3.04Å; Q689-N692 HydrophobicContact CB-CB 3.92Å; Q689-N692 VanDerWaalsContact OE1-CB 3.26Å; Q689-N692 PolarHBondContact OE1-ND2 3.28Å | ||
| 693 | S | 91.6 | Very high | 89.4 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | trans | -93.4 | 153.6 | 172.4 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | Q697 D699 L700 D704 | S693-Q697 WeakPolarHBondContact CB-O 3.14Å; S693-D699 PolarHBondContact OG-N 3.2Å; S693-D699 VanDerWaalsContact OG-N 3.08Å; S693-L700 PolarHBondContact OG-N 3.03Å; S693-D704 WeakPolarHBondContact CB-OD1 3.36Å; S693-D704 PolarHBondContact N-OD1 3.49Å; S693-D704 VanDerWaalsContact N-OD1 3.11Å; S693-D704 PolarHBondContact OG-OD1 2.83Å | ||
| 694 | E | 84 | Confident | 89.9 | Confident | 61 Ų | 61 | 43.9 Ų | 43.9 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | trans | -123.8 | -178.5 | -176.6 | -69.1 | -176.3 | -145.3 | 0 | 0 | 112.1 | R410 G696 Q697 | R410-E694 IonicContact CZ-OE1 2.95Å; R410-E694 IonicContact CZ-OE2 2.65Å; R410-E694 IonicContact NH1-OE1 3.49Å; R410-E694 PolarHBondContact NH1-OE1 3.42Å; R410-E694 IonicContact NH1-OE2 3.08Å; R410-E694 PolarHBondContact NH1-OE2 3.31Å; R410-E694 IonicContact NH2-OE1 3.61Å; R410-E694 PolarHBondContact NH2-OE1 2.82Å; R410-E694 IonicContact NH2-OE2 3.66Å; R410-E694 PolarHBondContact NH2-OE2 3.29Å; E694-G696 PolarHBondContact O-N 3.07Å; E694-G696 VanDerWaalsContact O-N 3.17Å; E694-Q697 PolarHBondContact O-N 2.83Å; E694-Q697 VanDerWaalsContact O-N 3.13Å | ||
| 695 | F | 77.3 | Confident | 90.4 | Very high | 133 Ų | 133 | 39.2 Ų | 39.2 | 58% | 0.583 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 26.4 | 176.1 | -50.9 | -68.4 | 0 | 0 | 0 | 114.2 | Q697 | F695-Q697 PolarHBondContact O-N 3.49Š|
| 696 | G | 82.1 | Confident | 91.1 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 2.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N616 E694 | N616-G696 PolarHBondContact ND2-O 3.08Å; N616-G696 WeakPolarHBondContact OD1-CA 3.26Å; E694-G696 PolarHBondContact O-N 3.07Å; E694-G696 VanDerWaalsContact O-N 3.17Å |
| 697 | Q | 88.5 | Confident | 91.6 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | trans | -88.3 | 164.6 | 172.2 | -59.7 | -64.3 | 2.3 | 0 | 0 | 111 | F403 N578 S693 E694 F695 L700 | F403-Q697 HydrophobicContact CB-CG 4.39Å; F403-Q697 HydrophobicContact CD1-CG 3.76Å; F403-Q697 HydrophobicContact CD2-CG 4.49Å; F403-Q697 HydrophobicContact CE1-CG 4.11Å; F403-Q697 HydrophobicContact CG-CG 3.97Å; N578-Q697 PolarHBondContact O-NE2 2.82Å; N578-Q697 VanDerWaalsContact O-NE2 3.15Å; S693-Q697 WeakPolarHBondContact CB-O 3.14Å; E694-Q697 PolarHBondContact O-N 2.83Å; E694-Q697 VanDerWaalsContact O-N 3.13Å; F695-Q697 PolarHBondContact O-N 3.49Å; Q697-L700 HydrophobicContact CB-CD1 4.12Å; Q697-L700 HydrophobicContact CB-CD2 4.13Å; Q697-L700 HydrophobicContact CB-CG 4.17Å | ||
| 698 | K | 91.8 | Very high | 92 | Very high | 57 Ų | 57 | 34.7 Ų | 34.7 | 25% | 0.248 | 18% | 0.18 | C | C | . | . | trans | -127.6 | 146.8 | -177.2 | -74.8 | -60.8 | -160.8 | 173.2 | 0 | 110.2 | A586 L700 D704 | A586-K698 HydrophobicContact CB-CB 4.23Å; A586-K698 HydrophobicContact CB-CG 4.01Å; K698-L700 PolarHBondContact O-N 3.02Å; K698-D704 WeakPolarHBondContact CD-OD2 3.27Å; K698-D704 IonicContact NZ-OD2 3.54Å; K698-D704 PolarHBondContact NZ-OD2 2.69Å | ||
| 699 | D | 93.8 | Very high | 92.3 | Very high | 43 Ų | 43 | 34.6 Ų | 34.6 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | trans | 58.5 | 39.3 | 170.4 | -50.1 | -41.1 | 0 | 0 | 0 | 115 | S693 I701 F702 N703 D704 | S693-D699 PolarHBondContact OG-N 3.2Å; S693-D699 VanDerWaalsContact OG-N 3.08Å; D699-I701 PolarHBondContact O-N 3.08Å; D699-F702 CarbonylContact C-O 2.95Å; D699-F702 VanDerWaalsContact C-O 3.25Å; D699-F702 WeakPolarHBondContact CA-O 3.42Å; D699-N703 WeakPolarHBondContact OD1-CA 3.31Å; D699-N703 VanDerWaalsContact OD1-CG 3.26Å; D699-N703 PolarHBondContact OD1-ND2 2.86Å; D699-N703 PolarHBondContact OD2-ND2 2.02Å; D699-D704 PolarHBondContact N-OD1 3Å; D699-D704 PolarHBondContact OD1-N 2.5Å | ||
| 700 | L | 95.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -73.9 | 120.4 | 176 | -62.9 | 179.9 | 0 | 0 | 0 | 110.4 | F403 E404 K407 N578 S693 Q697 K698 F702 | F403-L700 HydrophobicContact CB-CD1 4.14Å; F403-L700 HydrophobicContact CB-CD2 3.68Å; E404-L700 HydrophobicContact CG-CD2 3.98Å; K407-L700 HydrophobicContact CB-CB 4.43Å; K407-L700 HydrophobicContact CB-CD1 4.45Å; K407-L700 HydrophobicContact CD-CB 3.52Å; K407-L700 HydrophobicContact CD-CD1 4.4Å; K407-L700 VanDerWaalsContact CD-O 3.28Å; K407-L700 WeakPolarHBondContact CD-O 3.23Å; K407-L700 WeakPolarHBondContact CE-O 3.38Å; K407-L700 PolarHBondContact NZ-O 3.14Å; N578-L700 WeakPolarHBondContact ND2-CD2 3.4Å; S693-L700 PolarHBondContact OG-N 3.03Å; Q697-L700 HydrophobicContact CB-CD1 4.12Å; Q697-L700 HydrophobicContact CB-CD2 4.13Å; Q697-L700 HydrophobicContact CB-CG 4.17Å; K698-L700 PolarHBondContact O-N 3.02Å; L700-F702 PolarHBondContact O-N 3.16Å |
| 701 | I | 96 | Very high | 92.5 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.046 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 66.3 | -54.4 | -176.9 | -54.9 | 175.3 | 0 | 0 | 0 | 113.9 | W397 V399 E404 K407 C408 M411 T448 D699 | W397-I701 HydrophobicContact CZ2-CG2 3.5Å; V399-I701 HydrophobicContact CG1-CG1 4.48Å; E404-I701 HydrophobicContact CB-CG1 4.32Å; E404-I701 HydrophobicContact CG-CG1 4.48Å; K407-I701 HydrophobicContact CB-CD1 4.06Å; K407-I701 HydrophobicContact CD-CD1 4.39Å; K407-I701 HydrophobicContact CG-CD1 4.06Å; C408-I701 HydrophobicContact CB-CD1 3.76Å; M411-I701 HydrophobicContact CE-CD1 4.33Å; T448-I701 WeakPolarHBondContact CB-O 3.5Å; T448-I701 VanDerWaalsContact CG2-O 3.24Å; T448-I701 WeakPolarHBondContact CG2-O 3.47Å; T448-I701 PolarHBondContact OG1-O 3.12Å; D699-I701 PolarHBondContact O-N 3.08Å |
| 702 | F | 96.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -121.9 | 155 | 174.1 | -59.4 | -66.9 | 0 | 0 | 0 | 108.8 | W397 M411 E469 V655 L673 M690 F691 D699 L700 L709 | W397-F702 HydrophobicContact CH2-CE1 4.2Å; W397-F702 AromaticContact CH2-CZ 3.66Å; W397-F702 HydrophobicContact CH2-CZ 3.66Å; W397-F702 HydrophobicContact CZ2-CE1 4.36Å; W397-F702 AromaticContact CZ2-CZ 3.96Å; W397-F702 HydrophobicContact CZ2-CZ 3.96Å; M411-F702 HydrophobicContact SD-CE2 4.28Å; E469-F702 HydrophobicContact CG-CD1 4.15Å; V655-F702 HydrophobicContact CG2-CE1 3.75Å; V655-F702 HydrophobicContact CG2-CZ 4.43Å; L673-F702 HydrophobicContact CD2-CZ 4.22Å; M690-F702 HydrophobicContact CE-CD2 4.36Å; M690-F702 HydrophobicContact CE-CE2 3.52Å; M690-F702 HydrophobicContact CE-CZ 3.86Å; M690-F702 HydrophobicContact CG-CD2 4.22Å; M690-F702 HydrophobicContact CG-CE2 4.14Å; F691-F702 HydrophobicContact CD1-CB 4.02Å; F691-F702 HydrophobicContact CD1-CD2 4.22Å; F691-F702 HydrophobicContact CD1-CG 4.2Å; F691-F702 HydrophobicContact CE1-CD2 4.33Å; F691-F702 HydrophobicContact CE1-CG 4.38Å; D699-F702 CarbonylContact C-O 2.95Å; D699-F702 VanDerWaalsContact C-O 3.25Å; D699-F702 WeakPolarHBondContact CA-O 3.42Å; L700-F702 PolarHBondContact O-N 3.16Å; F702-L709 HydrophobicContact CD1-CD2 4.1Å; F702-L709 HydrophobicContact CE1-CD1 4.11Å; F702-L709 HydrophobicContact CE1-CD2 3.99Å; F702-L709 HydrophobicContact CZ-CD1 4.02Å |
| 703 | N | 95 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -68.3 | 142.9 | 173.9 | -167.9 | -90.9 | 0 | 0 | 0 | 111.1 | E469 Y471 R602 D699 D705 T706 | E469-N703 WeakPolarHBondContact OE2-CB 3.46Å; E469-N703 PolarHBondContact OE2-N 3.42Å; Y471-N703 HydrophobicContact CE1-CB 3.93Å; R602-N703 VanDerWaalsContact NH1-CG 3.31Å; R602-N703 PolarHBondContact NH1-ND2 2.8Å; R602-N703 VanDerWaalsContact NH1-ND2 3.13Å; D699-N703 WeakPolarHBondContact OD1-CA 3.31Å; D699-N703 VanDerWaalsContact OD1-CG 3.26Å; D699-N703 PolarHBondContact OD1-ND2 2.86Å; D699-N703 PolarHBondContact OD2-ND2 2.02Å; N703-D705 PolarHBondContact O-N 2.04Å; N703-D705 VanDerWaalsContact OD1-CB 3.23Å; N703-D705 WeakPolarHBondContact OD1-CB 3.4Å; N703-D705 PolarHBondContact OD1-N 3.26Å; N703-T706 WeakPolarHBondContact O-CB 3.47Å; N703-T706 PolarHBondContact O-N 3.19Å; N703-T706 PolarHBondContact O-OG1 3.04Å | ||
| 704 | D | 93.6 | Very high | 93 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.6 | 179.3 | -73.8 | 9.6 | 0 | 0 | 0 | 112.5 | F691 S693 K698 D699 T706 | F691-D704 WeakPolarHBondContact O-CA 3.23Å; S693-D704 WeakPolarHBondContact CB-OD1 3.36Å; S693-D704 PolarHBondContact N-OD1 3.49Å; S693-D704 VanDerWaalsContact N-OD1 3.11Å; S693-D704 PolarHBondContact OG-OD1 2.83Å; K698-D704 WeakPolarHBondContact CD-OD2 3.27Å; K698-D704 IonicContact NZ-OD2 3.54Å; K698-D704 PolarHBondContact NZ-OD2 2.69Å; D699-D704 PolarHBondContact N-OD1 3Å; D699-D704 PolarHBondContact OD1-N 2.5Å; D704-T706 PolarHBondContact O-N 3.15Å |
| 705 | D | 93 | Very high | 93.5 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 2.1 | 176.1 | -60.1 | -25.4 | 0 | 0 | 0 | 112.6 | Y471 T604 T608 N703 E707 | Y471-D705 HydrophobicContact CD1-CB 4.22Å; Y471-D705 WeakPolarHBondContact CD1-O 3.46Å; T604-D705 VanDerWaalsContact CB-OD2 3.25Å; T604-D705 WeakPolarHBondContact CB-OD2 3.36Å; T604-D705 PolarHBondContact OG1-OD2 3.13Å; T608-D705 WeakPolarHBondContact CG2-OD1 3.12Å; N703-D705 PolarHBondContact O-N 2.04Å; N703-D705 VanDerWaalsContact OD1-CB 3.23Å; N703-D705 WeakPolarHBondContact OD1-CB 3.4Å; N703-D705 PolarHBondContact OD1-N 3.26Å; D705-E707 PolarHBondContact O-N 3.23Å |
| 706 | T | 95.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | trans | -70.7 | 117.6 | 179.7 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | E469 F691 N703 D704 S708 L709 | E469-T706 HydrophobicContact CB-CG2 4.02Å; E469-T706 HydrophobicContact CG-CG2 4.07Å; E469-T706 PolarHBondContact OE2-OG1 3.12Å; E469-T706 VanDerWaalsContact OE2-OG1 3.1Å; F691-T706 VanDerWaalsContact CB-O 3.32Å; F691-T706 WeakPolarHBondContact CB-O 3.03Å; F691-T706 HydrophobicContact CD1-CG2 3.56Å; F691-T706 HydrophobicContact CD2-CG2 4.35Å; F691-T706 WeakPolarHBondContact CD2-O 3.46Å; F691-T706 HydrophobicContact CE1-CG2 3.59Å; F691-T706 HydrophobicContact CE2-CG2 4.35Å; F691-T706 HydrophobicContact CG-CG2 3.98Å; F691-T706 VanDerWaalsContact CG-O 3.26Å; F691-T706 WeakPolarHBondContact CG-O 3.26Å; F691-T706 HydrophobicContact CZ-CG2 4.01Å; N703-T706 WeakPolarHBondContact O-CB 3.47Å; N703-T706 PolarHBondContact O-N 3.19Å; N703-T706 PolarHBondContact O-OG1 3.04Å; D704-T706 PolarHBondContact O-N 3.15Å; T706-S708 VanDerWaalsContact CG2-O 3.28Å; T706-S708 WeakPolarHBondContact CG2-O 3.34Å; T706-L709 HydrophobicContact CG2-CD2 4.16Å | ||
| 707 | E | 94.4 | Very high | 95.1 | Very high | 135 Ų | 135 | 43.6 Ų | 43.6 | 63% | 0.631 | 22% | 0.217 | S | C | * | . | trans | -89.7 | -34.6 | 172.5 | -64.3 | -174.9 | -174.7 | 0 | 0 | 111.4 | N470 G472 D705 | N470-E707 PolarHBondContact O-N 3.35Å; G472-E707 VanDerWaalsContact CA-CD 3.41Å; G472-E707 WeakPolarHBondContact CA-OE2 3.09Å; D705-E707 PolarHBondContact O-N 3.23Å | ||
| 708 | S | 96.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 165.3 | 176.9 | 81.1 | 0 | 0 | 0 | 0 | 112.8 | N470 Q677 T706 N710 | N470-S708 WeakPolarHBondContact CA-O 3.42Å; N470-S708 VanDerWaalsContact CB-O 3.3Å; N470-S708 WeakPolarHBondContact CB-O 3.37Å; N470-S708 PolarHBondContact N-O 2.71Å; N470-S708 PolarHBondContact ND2-OG 3.03Å; N470-S708 PolarHBondContact O-N 3.42Å; Q677-S708 VanDerWaalsContact OE1-CA 3.23Å; T706-S708 VanDerWaalsContact CG2-O 3.28Å; T706-S708 WeakPolarHBondContact CG2-O 3.34Å; S708-N710 PolarHBondContact OG-OD1 2.8Å |
| 709 | L | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.5 | 167.4 | -62.4 | -178.3 | 0 | 0 | 0 | 108.6 | V467 S468 E469 W670 L673 M690 F691 F702 T706 | V467-L709 HydrophobicContact CG1-CB 3.71Å; V467-L709 HydrophobicContact CG1-CD1 4.17Å; V467-L709 HydrophobicContact CG1-CD2 4.23Å; V467-L709 HydrophobicContact CG1-CG 4.26Å; S468-L709 WeakPolarHBondContact O-CA 3.47Å; E469-L709 HydrophobicContact CG-CD2 3.97Å; W670-L709 HydrophobicContact CH2-CB 4.49Å; W670-L709 WeakPolarHBondContact CH2-O 3.43Å; W670-L709 HydrophobicContact CZ3-CB 3.94Å; L673-L709 HydrophobicContact CB-CD1 4.12Å; L673-L709 HydrophobicContact CD1-CD1 4.25Å; M690-L709 HydrophobicContact CE-CD1 3.51Å; F691-L709 HydrophobicContact CE1-CD1 4.23Å; F691-L709 HydrophobicContact CE1-CD2 4.06Å; F691-L709 HydrophobicContact CE1-CG 3.82Å; F691-L709 HydrophobicContact CZ-CD1 4.46Å; F691-L709 HydrophobicContact CZ-CG 3.89Å; F702-L709 HydrophobicContact CD1-CD2 4.1Å; F702-L709 HydrophobicContact CE1-CD1 4.11Å; F702-L709 HydrophobicContact CE1-CD2 3.99Å; F702-L709 HydrophobicContact CZ-CD1 4.02Å; T706-L709 HydrophobicContact CG2-CD2 4.16Å |
| 710 | N | 96.6 | Very high | 96 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.4 | 176.7 | -62.6 | -30.1 | 0 | 0 | 0 | 110.3 | V467 S468 N470 S708 I712 | V467-N710 CarbonylContact C-O 3.58Å; V467-N710 WeakPolarHBondContact CA-O 3.05Å; S468-N710 PolarHBondContact N-O 3.26Å; S468-N710 PolarHBondContact O-N 2.86Å; N470-N710 PolarHBondContact ND2-ND2 2.78Å; S708-N710 PolarHBondContact OG-OD1 2.8Å; N710-I712 PolarHBondContact O-N 2.9Å |
| 711 | L | 97 | Very high | 96.2 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 40% | 0.398 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 128.5 | 168 | 178.7 | 64.2 | 0 | 0 | 0 | 109.6 | V466 W670 | V466-L711 HydrophobicContact CG1-CD1 4.26Å; W670-L711 HydrophobicContact CB-CD1 3.87Å; W670-L711 HydrophobicContact CD2-CB 3.83Å; W670-L711 HydrophobicContact CD2-CD1 4.27Å; W670-L711 HydrophobicContact CE3-CB 4.33Å; W670-L711 HydrophobicContact CG-CB 4.12Å; W670-L711 HydrophobicContact CG-CD1 3.78Å; W670-L711 HydrophobicContact CG-CD2 4.4Å; W670-L711 HydrophobicContact CG-CG 4.32Å; W670-L711 HydrophobicContact CZ2-CB 4.15Å |
| 712 | I | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 125.6 | 170.3 | -61.1 | 172.1 | 0 | 0 | 0 | 107.7 | P465 V466 V654 N710 N716 Q717 W722 | P465-I712 HydrophobicContact CB-CD1 3.68Å; P465-I712 HydrophobicContact CG-CD1 4.24Å; V466-I712 WeakPolarHBondContact O-CB 3.38Å; V466-I712 PolarHBondContact O-N 2.93Å; V654-I712 HydrophobicContact CG1-CD1 3.94Å; N710-I712 PolarHBondContact O-N 2.9Å; I712-N716 HydrophobicContact CG2-CB 3.91Å; I712-Q717 HydrophobicContact CB-CG 4.22Å; I712-Q717 HydrophobicContact CG2-CG 3.99Å; I712-Q717 PolarHBondContact O-NE2 2.92Å; I712-W722 HydrophobicContact CD1-CD2 3.95Å; I712-W722 HydrophobicContact CD1-CE3 3.7Å; I712-W722 HydrophobicContact CD1-CH2 4.31Å; I712-W722 HydrophobicContact CD1-CZ3 3.89Å; I712-W722 HydrophobicContact CG1-CE3 3.99Å; I712-W722 HydrophobicContact CG1-CH2 4.3Å; I712-W722 HydrophobicContact CG1-CZ3 3.77Å; I712-W722 HydrophobicContact CG2-CE3 4.19Å; I712-W722 HydrophobicContact CG2-CZ3 4.45Å |
| 713 | P | 96 | Very high | 96.3 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 140.7 | 176.8 | -26.3 | 34.4 | 0 | 0 | 0 | 111.6 | E715 N716 Q717 | P713-E715 VanDerWaalsContact C-N 3.26Å; P713-E715 HydrophobicContact CB-CG 4.43Å; P713-E715 WeakPolarHBondContact CB-OE1 3.36Å; P713-E715 PolarHBondContact O-N 2.92Å; P713-E715 VanDerWaalsContact O-N 3.17Å; P713-N716 CarbonylContact O-C 3.49Å; P713-N716 WeakPolarHBondContact O-CA 3.16Å; P713-N716 WeakPolarHBondContact O-CB 3.16Å; P713-N716 PolarHBondContact O-N 2.86Å; P713-Q717 WeakPolarHBondContact O-CG 2.94Å; P713-Q717 PolarHBondContact O-N 3.13Å |
| 714 | W | 94.3 | Very high | 96.4 | Very high | 115 Ų | 115 | 50.7 Ų | 50.7 | 44% | 0.436 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -51.1 | -44.2 | -173 | 175.8 | -98.4 | 0 | 0 | 0 | 112.9 | E663 R666 N716 Q717 | E663-W714 VanDerWaalsContact CA-CZ3 3.47Å; E663-W714 HydrophobicContact CB-CE3 4.02Å; E663-W714 HydrophobicContact CB-CH2 4.08Å; E663-W714 HydrophobicContact CB-CZ3 3.73Å; E663-W714 HydrophobicContact CG-CD2 4.37Å; E663-W714 HydrophobicContact CG-CE3 3.91Å; E663-W714 HydrophobicContact CG-CZ3 4.14Å; R666-W714 HydrophobicContact CG-CZ3 4.44Å; R666-W714 VanDerWaalsContact CZ-CH2 3.43Å; R666-W714 VanDerWaalsContact NH1-CZ3 3.28Å; W714-N716 PolarHBondContact O-N 2.9Å; W714-Q717 WeakPolarHBondContact O-CB 3.5Å; W714-Q717 PolarHBondContact O-N 3.03Å; W714-Q717 VanDerWaalsContact O-N 3.12Å |
| 715 | E | 94.6 | Very high | 96.5 | Very high | 138 Ų | 138 | 56.6 Ų | 56.6 | 65% | 0.645 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -62.3 | -22.4 | 177.5 | 64.8 | -85.6 | -161.4 | 0 | 0 | 114.1 | P713 | P713-E715 VanDerWaalsContact C-N 3.26Å; P713-E715 HydrophobicContact CB-CG 4.43Å; P713-E715 WeakPolarHBondContact CB-OE1 3.36Å; P713-E715 PolarHBondContact O-N 2.92Å; P713-E715 VanDerWaalsContact O-N 3.17Å |
| 716 | N | 96.5 | Very high | 96.6 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -102.7 | 2.9 | 179.4 | -67 | -20.1 | 0 | 0 | 0 | 112.8 | I712 P713 W714 T718 A721 | I712-N716 HydrophobicContact CG2-CB 3.91Å; P713-N716 CarbonylContact O-C 3.49Å; P713-N716 WeakPolarHBondContact O-CA 3.16Å; P713-N716 WeakPolarHBondContact O-CB 3.16Å; P713-N716 PolarHBondContact O-N 2.86Å; W714-N716 PolarHBondContact O-N 2.9Å; N716-T718 PolarHBondContact O-N 2.92Å; N716-A721 HydrophobicContact CB-CB 4.39Å |
| 717 | Q | 97.6 | Very high | 96.6 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | trans | -77.6 | 54.8 | 176.6 | -63.3 | -170.8 | -0.4 | 0 | 0 | 111.9 | V464 P465 I712 P713 W714 | V464-Q717 WeakPolarHBondContact CB-O 3.33Å; V464-Q717 VanDerWaalsContact CG1-O 3.3Å; V464-Q717 WeakPolarHBondContact CG1-O 3.27Å; P465-Q717 WeakPolarHBondContact O-CA 3.44Å; P465-Q717 VanDerWaalsContact O-CB 3.27Å; P465-Q717 WeakPolarHBondContact O-CB 3.49Å; P465-Q717 WeakPolarHBondContact O-CG 3.13Å; I712-Q717 HydrophobicContact CB-CG 4.22Å; I712-Q717 HydrophobicContact CG2-CG 3.99Å; I712-Q717 PolarHBondContact O-NE2 2.92Å; P713-Q717 WeakPolarHBondContact O-CG 2.94Å; P713-Q717 PolarHBondContact O-N 3.13Å; W714-Q717 WeakPolarHBondContact O-CB 3.5Å; W714-Q717 PolarHBondContact O-N 3.03Å; W714-Q717 VanDerWaalsContact O-N 3.12Å | ||
| 718 | T | 97.9 | Very high | 96.7 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -132.9 | 149 | 170.6 | 61.3 | 0 | 0 | 0 | 0 | 108.6 | N716 E720 A721 W722 | N716-T718 PolarHBondContact O-N 2.92Å; T718-E720 PolarHBondContact O-N 3.42Å; T718-A721 PolarHBondContact O-N 2.82Å; T718-A721 WeakPolarHBondContact OG1-CB 3.3Å; T718-A721 PolarHBondContact OG1-N 2.94Å; T718-W722 PolarHBondContact O-N 2.81Å |
| 719 | Y | 97.5 | Very high | 96.6 | Very high | 26 Ų | 26 | 61 Ų | 61 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.5 | -30.7 | 178.3 | 78.7 | -82.4 | 0 | 0 | 0 | 110.9 | Y455 G458 K459 L723 | Y455-Y719 HydrophobicContact CD2-CD2 4.17Å; Y455-Y719 AromaticContact CD2-CE2 3.85Å; Y455-Y719 HydrophobicContact CD2-CE2 3.85Å; Y455-Y719 HydrophobicContact CE2-CE2 4.19Å; G458-Y719 VanDerWaalsContact CA-CD1 3.42Å; K459-Y719 HydrophobicContact CB-CE1 4.49Å; K459-Y719 HydrophobicContact CB-CE2 4.38Å; Y719-L723 HydrophobicContact CD2-CD1 4.08Å; Y719-L723 WeakPolarHBondContact O-CB 3.37Å; Y719-L723 WeakPolarHBondContact O-CG 3.22Å; Y719-L723 PolarHBondContact O-N 2.94Å |
| 720 | E | 97.7 | Very high | 96.5 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 177.1 | -61.9 | 91.6 | 158.5 | 0 | 0 | 112.4 | T718 G724 I728 | T718-E720 PolarHBondContact O-N 3.42Å; E720-G724 PolarHBondContact O-N 3.43Å; E720-G724 VanDerWaalsContact O-N 3.07Å; E720-I728 HydrophobicContact CB-CD1 4.14Å; E720-I728 HydrophobicContact CG-CD1 4.31Å |
| 721 | A | 97.8 | Very high | 96.3 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N716 T718 | N716-A721 HydrophobicContact CB-CB 4.39Å; T718-A721 PolarHBondContact O-N 2.82Å; T718-A721 WeakPolarHBondContact OG1-CB 3.3Å; T718-A721 PolarHBondContact OG1-N 2.94Å |
| 722 | W | 97.9 | Very high | 96.1 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 16% | 0.163 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.3 | -46.8 | -179 | -172.8 | -102.8 | 0 | 0 | 0 | 113.2 | L454 P465 S468 P475 S652 V654 I712 T718 G724 | L454-W722 HydrophobicContact CD2-CB 4.21Å; L454-W722 HydrophobicContact CD2-CG 4.08Å; P465-W722 HydrophobicContact CG-CB 4.04Å; P465-W722 HydrophobicContact CG-CG 4.47Å; S468-W722 WeakPolarHBondContact OG-CH2 3.41Å; P475-W722 HydrophobicContact CB-CH2 3.77Å; P475-W722 HydrophobicContact CB-CZ2 4.1Å; P475-W722 HydrophobicContact CG-CH2 4.13Å; S652-W722 PolarHBondContact O-NE1 2.9Å; V654-W722 HydrophobicContact CG1-CD2 4.08Å; V654-W722 VanDerWaalsContact CG1-CE2 3.42Å; V654-W722 HydrophobicContact CG1-CG 4.24Å; V654-W722 HydrophobicContact CG1-CZ2 3.86Å; I712-W722 HydrophobicContact CD1-CD2 3.95Å; I712-W722 HydrophobicContact CD1-CE3 3.7Å; I712-W722 HydrophobicContact CD1-CH2 4.31Å; I712-W722 HydrophobicContact CD1-CZ3 3.89Å; I712-W722 HydrophobicContact CG1-CE3 3.99Å; I712-W722 HydrophobicContact CG1-CH2 4.3Å; I712-W722 HydrophobicContact CG1-CZ3 3.77Å; I712-W722 HydrophobicContact CG2-CE3 4.19Å; I712-W722 HydrophobicContact CG2-CZ3 4.45Å; T718-W722 PolarHBondContact O-N 2.81Å; W722-G724 VanDerWaalsContact C-N 3.32Å; W722-G724 PolarHBondContact O-N 3.32Å |
| 723 | L | 97.7 | Very high | 95.8 | Very high | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.8 | -31.9 | -177.4 | -67.4 | 179.7 | 0 | 0 | 0 | 112.7 | A451 L454 Y455 P651 Y719 F727 I728 | A451-L723 HydrophobicContact CB-CD2 3.69Å; A451-L723 WeakPolarHBondContact O-CD2 3.49Å; L454-L723 HydrophobicContact CB-CD2 4.39Å; L454-L723 HydrophobicContact CD2-CD2 3.8Å; L454-L723 HydrophobicContact CD2-CG 3.94Å; L454-L723 HydrophobicContact CG-CD1 4.5Å; L454-L723 HydrophobicContact CG-CD2 4.42Å; L454-L723 HydrophobicContact CG-CG 4.41Å; Y455-L723 HydrophobicContact CD2-CD1 4.46Å; P651-L723 HydrophobicContact CG-CD2 3.89Å; Y719-L723 HydrophobicContact CD2-CD1 4.08Å; Y719-L723 WeakPolarHBondContact O-CB 3.37Å; Y719-L723 WeakPolarHBondContact O-CG 3.22Å; Y719-L723 PolarHBondContact O-N 2.94Å; L723-F727 HydrophobicContact CB-CD1 4.14Å; L723-F727 HydrophobicContact CD1-CD1 4.17Å; L723-F727 HydrophobicContact CD1-CE1 4.41Å; L723-F727 HydrophobicContact CD2-CD1 3.84Å; L723-F727 HydrophobicContact CD2-CE1 4.04Å; L723-F727 HydrophobicContact CG-CD1 4.28Å; L723-F727 WeakPolarHBondContact O-CB 3.34Å; L723-I728 HydrophobicContact CB-CD1 4.28Å; L723-I728 HydrophobicContact CB-CG1 3.93Å; L723-I728 HydrophobicContact CD1-CG1 4.4Å |
| 724 | G | 96.5 | Very high | 95.6 | Very high | 28 Ų | 28 | 59.5 Ų | 59.5 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | 71.3 | 156.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E720 W722 R726 F727 I728 | E720-G724 PolarHBondContact O-N 3.43Å; E720-G724 VanDerWaalsContact O-N 3.07Å; W722-G724 VanDerWaalsContact C-N 3.32Å; W722-G724 PolarHBondContact O-N 3.32Å; G724-R726 VanDerWaalsContact C-N 3.31Å; G724-R726 PolarHBondContact O-N 3.06Å; G724-F727 PolarHBondContact O-N 2.9Å; G724-I728 WeakPolarHBondContact O-CG1 3.42Å; G724-I728 PolarHBondContact O-N 3.48Å |
| 725 | Q | 96 | Very high | 95.2 | Very high | 146 Ų | 146 | 56.5 Ų | 56.5 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.2 | -37.7 | -171.2 | -168.6 | 178.9 | 14.2 | 0 | 0 | 113.4 | I728 Q729 | Q725-I728 PolarHBondContact O-N 2.82Å; Q725-Q729 HydrophobicContact CG-CG 4.38Å; Q725-Q729 WeakPolarHBondContact O-CB 3.44Å; Q725-Q729 VanDerWaalsContact O-CG 3.25Å; Q725-Q729 WeakPolarHBondContact O-CG 3.42Å; Q725-Q729 PolarHBondContact O-N 3.17Å |
| 726 | R | 94.7 | Very high | 94.8 | Very high | 170 Ų | 170 | 55.8 Ų | 55.8 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.5 | -46.3 | -177.7 | -177.9 | 177.8 | 177.2 | 166.6 | -1.2 | 112 | G724 M730 | G724-R726 VanDerWaalsContact C-N 3.31Å; G724-R726 PolarHBondContact O-N 3.06Å; R726-M730 HydrophobicContact CG-CE 4.45Å; R726-M730 WeakPolarHBondContact O-CG 3.4Å; R726-M730 PolarHBondContact O-N 3.02Å |
| 727 | F | 96.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.8 | -40.1 | -180 | -174.4 | -99.3 | 0 | 0 | 0 | 111.1 | A451 A508 I512 I650 L723 G724 Q729 M730 V731 | A451-F727 HydrophobicContact CB-CD1 4.45Å; A451-F727 HydrophobicContact CB-CE1 3.79Å; A451-F727 HydrophobicContact CB-CE2 4.48Å; A451-F727 HydrophobicContact CB-CZ 3.8Å; A508-F727 HydrophobicContact CB-CE2 3.57Å; A508-F727 HydrophobicContact CB-CZ 3.59Å; I512-F727 HydrophobicContact CD1-CE1 4.43Å; I512-F727 HydrophobicContact CD1-CE2 4.49Å; I512-F727 HydrophobicContact CD1-CZ 3.72Å; I512-F727 HydrophobicContact CG2-CE2 4.28Å; I512-F727 HydrophobicContact CG2-CZ 4.44Å; I650-F727 HydrophobicContact CG2-CE2 4.26Å; L723-F727 HydrophobicContact CB-CD1 4.14Å; L723-F727 HydrophobicContact CD1-CD1 4.17Å; L723-F727 HydrophobicContact CD1-CE1 4.41Å; L723-F727 HydrophobicContact CD2-CD1 3.84Å; L723-F727 HydrophobicContact CD2-CE1 4.04Å; L723-F727 HydrophobicContact CG-CD1 4.28Å; L723-F727 WeakPolarHBondContact O-CB 3.34Å; G724-F727 PolarHBondContact O-N 2.9Å; F727-Q729 VanDerWaalsContact C-N 3.32Å; F727-Q729 PolarHBondContact O-N 3.45Å; F727-M730 WeakPolarHBondContact O-CB 3.32Å; F727-M730 PolarHBondContact O-N 3.37Å; F727-M730 VanDerWaalsContact O-N 3.1Å; F727-V731 HydrophobicContact CD1-CG2 4.18Å; F727-V731 HydrophobicContact CE1-CG2 3.77Å; F727-V731 HydrophobicContact CZ-CG2 4.13Å; F727-V731 PolarHBondContact O-N 3.27Å; F727-V731 VanDerWaalsContact O-N 3.09Å |
| 728 | I | 96.2 | Very high | 93.7 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 175.1 | -66.4 | 166.2 | 0 | 0 | 0 | 110.9 | Y455 E720 L723 G724 Q725 M730 V731 E732 | Y455-I728 HydrophobicContact CE2-CG2 4.27Å; E720-I728 HydrophobicContact CB-CD1 4.14Å; E720-I728 HydrophobicContact CG-CD1 4.31Å; L723-I728 HydrophobicContact CB-CD1 4.28Å; L723-I728 HydrophobicContact CB-CG1 3.93Å; L723-I728 HydrophobicContact CD1-CG1 4.4Å; G724-I728 WeakPolarHBondContact O-CG1 3.42Å; G724-I728 PolarHBondContact O-N 3.48Å; Q725-I728 PolarHBondContact O-N 2.82Å; I728-M730 VanDerWaalsContact C-N 3.29Å; I728-M730 PolarHBondContact O-N 2.74Å; I728-V731 PolarHBondContact O-N 3.18Å; I728-V731 VanDerWaalsContact O-N 3.12Å; I728-E732 HydrophobicContact CG2-CG 4.11Å; I728-E732 WeakPolarHBondContact O-CB 3.47Å; I728-E732 WeakPolarHBondContact O-CG 3.34Å; I728-E732 PolarHBondContact O-N 3.09Å |
| 729 | Q | 95.1 | Very high | 92.6 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.1 | -77.4 | 171.8 | -8.8 | 0 | 0 | 112.2 | Q725 F727 V731 E732 N733 | Q725-Q729 HydrophobicContact CG-CG 4.38Å; Q725-Q729 WeakPolarHBondContact O-CB 3.44Å; Q725-Q729 VanDerWaalsContact O-CG 3.25Å; Q725-Q729 WeakPolarHBondContact O-CG 3.42Å; Q725-Q729 PolarHBondContact O-N 3.17Å; F727-Q729 VanDerWaalsContact C-N 3.32Å; F727-Q729 PolarHBondContact O-N 3.45Å; Q729-V731 VanDerWaalsContact C-N 3.35Å; Q729-V731 PolarHBondContact O-N 3.08Å; Q729-E732 PolarHBondContact O-N 3.31Å; Q729-N733 WeakPolarHBondContact O-CB 3.37Å; Q729-N733 PolarHBondContact O-N 3.3Å |
| 730 | M | 94.2 | Very high | 91.1 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 175.7 | -71.3 | 170.5 | 165.1 | 0 | 0 | 112 | I512 I513 N516 R726 F727 I728 L734 | I512-M730 HydrophobicContact CG2-CB 4.17Å; I513-M730 HydrophobicContact CD1-CE 4.16Å; I513-M730 HydrophobicContact CD1-SD 3.43Å; I513-M730 WeakPolarHBondContact CD1-SD 3.27Å; N516-M730 PolarHBondContact ND2-O 2.03Å; N516-M730 PolarHBondContact OD1-O 3.44Å; R726-M730 HydrophobicContact CG-CE 4.45Å; R726-M730 WeakPolarHBondContact O-CG 3.4Å; R726-M730 PolarHBondContact O-N 3.02Å; F727-M730 WeakPolarHBondContact O-CB 3.32Å; F727-M730 PolarHBondContact O-N 3.37Å; F727-M730 VanDerWaalsContact O-N 3.1Å; I728-M730 VanDerWaalsContact C-N 3.29Å; I728-M730 PolarHBondContact O-N 2.74Å; M730-L734 WeakPolarHBondContact O-CG 3.45Å; M730-L734 PolarHBondContact O-N 3.33Å |
| 731 | V | 93.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.6 | -43.3 | 177 | -177 | 0 | 0 | 0 | 0 | 111.4 | Y455 I512 F727 I728 Q729 N733 L734 K735 Y746 | Y455-V731 HydrophobicContact CD1-CB 4.46Å; Y455-V731 HydrophobicContact CD1-CG1 3.48Å; Y455-V731 VanDerWaalsContact CD1-CG1 3.48Å; Y455-V731 HydrophobicContact CD2-CB 4.47Å; Y455-V731 HydrophobicContact CD2-CG1 4.29Å; Y455-V731 HydrophobicContact CE1-CG1 3.51Å; Y455-V731 HydrophobicContact CE2-CG1 4.33Å; Y455-V731 HydrophobicContact CG-CB 4.42Å; Y455-V731 HydrophobicContact CG-CG1 3.88Å; I512-V731 HydrophobicContact CD1-CG2 3.86Å; I512-V731 HydrophobicContact CG1-CG2 4.45Å; I512-V731 HydrophobicContact CG2-CG2 3.98Å; F727-V731 HydrophobicContact CD1-CG2 4.18Å; F727-V731 HydrophobicContact CE1-CG2 3.77Å; F727-V731 HydrophobicContact CZ-CG2 4.13Å; F727-V731 PolarHBondContact O-N 3.27Å; F727-V731 VanDerWaalsContact O-N 3.09Å; I728-V731 PolarHBondContact O-N 3.18Å; I728-V731 VanDerWaalsContact O-N 3.12Å; Q729-V731 VanDerWaalsContact C-N 3.35Å; Q729-V731 PolarHBondContact O-N 3.08Å; V731-N733 VanDerWaalsContact C-N 3.35Å; V731-N733 PolarHBondContact O-N 3.14Å; V731-L734 PolarHBondContact O-N 2.78Å; V731-K735 PolarHBondContact O-N 2.92Å; V731-K735 VanDerWaalsContact O-N 3.1Å; V731-Y746 HydrophobicContact CG1-CD1 4.06Å; V731-Y746 HydrophobicContact CG1-CE1 4.34Å |
| 732 | E | 92 | Very high | 87.2 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.5 | -34.6 | 179.7 | -71.8 | -172.2 | 154.4 | 0 | 0 | 112.5 | Y455 K459 I728 Q729 L734 K735 V736 | Y455-E732 HydrophobicContact CE2-CG 4.24Å; Y455-E732 WeakPolarHBondContact OH-CG 3.08Å; K459-E732 IonicContact NZ-OE1 3.99Å; K459-E732 PolarHBondContact NZ-OE1 3.07Å; I728-E732 HydrophobicContact CG2-CG 4.11Å; I728-E732 WeakPolarHBondContact O-CB 3.47Å; I728-E732 WeakPolarHBondContact O-CG 3.34Å; I728-E732 PolarHBondContact O-N 3.09Å; Q729-E732 PolarHBondContact O-N 3.31Å; E732-L734 VanDerWaalsContact C-N 3.35Å; E732-L734 PolarHBondContact O-N 2.8Å; E732-K735 WeakPolarHBondContact O-CB 2.93Å; E732-K735 PolarHBondContact O-N 3.4Å; E732-V736 WeakPolarHBondContact O-CG2 3.39Å; E732-V736 PolarHBondContact O-N 3.31Å |
| 733 | N | 91.7 | Very high | 84.9 | Confident | 59 Ų | 59 | 56.9 Ų | 56.9 | 32% | 0.316 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 172.5 | -174.4 | 35.8 | 0 | 0 | 0 | 111 | N516 Q729 V731 K735 V736 I737 | N516-N733 PolarHBondContact OD1-ND2 3.37Å; Q729-N733 WeakPolarHBondContact O-CB 3.37Å; Q729-N733 PolarHBondContact O-N 3.3Å; V731-N733 VanDerWaalsContact C-N 3.35Å; V731-N733 PolarHBondContact O-N 3.14Å; N733-K735 VanDerWaalsContact C-N 3.3Å; N733-K735 PolarHBondContact O-N 3.11Å; N733-V736 PolarHBondContact O-N 2.86Å; N733-I737 WeakPolarHBondContact O-CB 3.47Å; N733-I737 VanDerWaalsContact O-CG1 3.31Å; N733-I737 WeakPolarHBondContact O-CG1 3.24Å; N733-I737 PolarHBondContact O-N 2.94Å; N733-I737 VanDerWaalsContact OD1-CD1 3.3Å; N733-I737 WeakPolarHBondContact OD1-CD1 3.45Å |
| 734 | L | 91.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 176.8 | -58.3 | -178.1 | 0 | 0 | 0 | 111.9 | I512 L515 N516 L519 L531 M730 V731 E732 S738 Y746 | I512-L734 HydrophobicContact CB-CD1 4.37Å; I512-L734 HydrophobicContact CG1-CD1 4.5Å; I512-L734 HydrophobicContact CG2-CD1 4.12Å; L515-L734 HydrophobicContact CB-CD1 3.92Å; L515-L734 HydrophobicContact CB-CD2 3.73Å; L515-L734 HydrophobicContact CD1-CD1 4.09Å; N516-L734 WeakPolarHBondContact ND2-CG 3.42Å; L519-L734 HydrophobicContact CD1-CD2 3.55Å; L531-L734 HydrophobicContact CD2-CB 4.32Å; L531-L734 HydrophobicContact CD2-CD2 4.02Å; M730-L734 WeakPolarHBondContact O-CG 3.45Å; M730-L734 PolarHBondContact O-N 3.33Å; V731-L734 PolarHBondContact O-N 2.78Å; E732-L734 VanDerWaalsContact C-N 3.35Å; E732-L734 PolarHBondContact O-N 2.8Å; L734-S738 WeakPolarHBondContact O-CB 3.37Å; L734-S738 PolarHBondContact O-N 3.28Å; L734-S738 PolarHBondContact O-OG 3.22Å; L734-Y746 HydrophobicContact CB-CE1 4.36Å; L734-Y746 HydrophobicContact CB-CE2 3.94Å; L734-Y746 HydrophobicContact CD1-CE1 4.48Å; L734-Y746 VanDerWaalsContact CD1-OH 3.26Å; L734-Y746 WeakPolarHBondContact CD1-OH 3.22Å |
| 735 | K | 86.4 | Confident | 80.9 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 176.6 | -176.4 | 178.7 | 177.1 | 178.7 | 0 | 112.9 | Y460 V731 E732 N733 S738 N743 Y746 N747 | Y460-K735 PolarHBondContact OH-NZ 2.96Å; V731-K735 PolarHBondContact O-N 2.92Å; V731-K735 VanDerWaalsContact O-N 3.1Å; E732-K735 WeakPolarHBondContact O-CB 2.93Å; E732-K735 PolarHBondContact O-N 3.4Å; N733-K735 VanDerWaalsContact C-N 3.3Å; N733-K735 PolarHBondContact O-N 3.11Å; K735-S738 VanDerWaalsContact O-O 3.09Å; K735-N743 PolarHBondContact O-ND2 3.45Å; K735-N743 PolarHBondContact O-OD1 3.12Å; K735-Y746 HydrophobicContact CB-CG 4.38Å; K735-N747 VanDerWaalsContact CE-OD1 3.23Å; K735-N747 WeakPolarHBondContact CE-OD1 2.96Å; K735-N747 PolarHBondContact NZ-OD1 3.4Å; K735-N747 VanDerWaalsContact NZ-OD1 3.1Å |
| 736 | V | 86.9 | Confident | 79.1 | Confident | 123 Ų | 123 | 49.2 Ų | 49.2 | 75% | 0.745 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -69.6 | -40.3 | 178.1 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | E732 N733 S738 | E732-V736 WeakPolarHBondContact O-CG2 3.39Å; E732-V736 PolarHBondContact O-N 3.31Å; N733-V736 PolarHBondContact O-N 2.86Å; V736-S738 VanDerWaalsContact C-N 3.34Å |
| 737 | I | 86.7 | Confident | 77 | Confident | 46 Ų | 46 | 42.7 Ų | 42.7 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.8 | -29 | 179.9 | -67.6 | 167.9 | 0 | 0 | 0 | 111.3 | L519 V526 G529 L531 N733 | L519-I737 HydrophobicContact CD1-CD1 3.53Å; L519-I737 HydrophobicContact CD2-CD1 4.16Å; L519-I737 HydrophobicContact CG-CD1 4.41Å; V526-I737 HydrophobicContact CB-CG2 3.87Å; V526-I737 HydrophobicContact CG1-CG2 3.79Å; V526-I737 HydrophobicContact CG2-CG2 3.74Å; G529-I737 WeakPolarHBondContact CA-O 3.45Å; L531-I737 HydrophobicContact CB-CG2 4.46Å; L531-I737 HydrophobicContact CD1-CG2 4.27Å; N733-I737 WeakPolarHBondContact O-CB 3.47Å; N733-I737 VanDerWaalsContact O-CG1 3.31Å; N733-I737 WeakPolarHBondContact O-CG1 3.24Å; N733-I737 PolarHBondContact O-N 2.94Å; N733-I737 VanDerWaalsContact OD1-CD1 3.3Å; N733-I737 WeakPolarHBondContact OD1-CD1 3.45Å |
| 738 | S | 83.6 | Confident | 74.6 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -86.6 | 142 | -179.2 | -58 | 0 | 0 | 0 | 0 | 112.4 | G529 L531 L734 K735 V736 N743 | G529-S738 CarbonylContact O-C 3.3Å; G529-S738 WeakPolarHBondContact O-CA 3.5Å; L531-S738 WeakPolarHBondContact CB-OG 3.44Å; L531-S738 VanDerWaalsContact CD2-OG 3.26Å; L531-S738 WeakPolarHBondContact CD2-OG 3.38Å; L734-S738 WeakPolarHBondContact O-CB 3.37Å; L734-S738 PolarHBondContact O-N 3.28Å; L734-S738 PolarHBondContact O-OG 3.22Å; K735-S738 VanDerWaalsContact O-O 3.09Å; V736-S738 VanDerWaalsContact C-N 3.34Å; S738-N743 WeakPolarHBondContact CB-OD1 3.35Å; S738-N743 PolarHBondContact O-ND2 3.05Å |
| 739 | N | 75.8 | Confident | 72.3 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | trans | -70 | 143.3 | 174 | -175.9 | -36.2 | 0 | 0 | 0 | 110.5 | D528 G529 Y741 E742 N743 | D528-N739 PolarHBondContact O-ND2 2.92Å; G529-N739 PolarHBondContact O-N 3.1Å; N739-Y741 PolarHBondContact O-N 2.89Å; N739-Y741 WeakPolarHBondContact OD1-CD2 3.26Å; N739-Y741 PolarHBondContact OD1-N 2.81Å; N739-E742 CarbonylContact O-C 3.51Å; N739-E742 PolarHBondContact O-N 2.79Å; N739-N743 VanDerWaalsContact C-ND2 3.25Å; N739-N743 WeakPolarHBondContact O-CB 3.21Å; N739-N743 VanDerWaalsContact O-CG 3.29Å; N739-N743 PolarHBondContact O-N 2.8Å; N739-N743 PolarHBondContact O-ND2 3.25Å | ||
| 740 | P | 64.7 | Low | 69.8 | Low | 92 Ų | 92 | 43 Ų | 43 | 60% | 0.597 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -38.5 | -31.9 | 170.4 | -18.5 | 8.9 | 0 | 0 | 0 | 116.9 | N743 | P740-N743 WeakPolarHBondContact CA-ND2 3.19Š|
| 741 | Y | 56.6 | Low | 67.2 | Low | 163 Ų | 163 | 47.2 Ų | 47.2 | 64% | 0.639 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -34.7 | 178.6 | -61.3 | -73.1 | 0 | 0 | 0 | 114.1 | N739 | N739-Y741 PolarHBondContact O-N 2.89Å; N739-Y741 WeakPolarHBondContact OD1-CD2 3.26Å; N739-Y741 PolarHBondContact OD1-N 2.81Å |
| 742 | E | 57.1 | Low | 64.8 | Low | 15 Ų | 15 | 55.1 Ų | 55.1 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -19.3 | 170.4 | -68.9 | -168.9 | -175.5 | 0 | 0 | 112.2 | H530 L531 V532 N739 G744 | H530-E742 VanDerWaalsContact CA-OE1 3.27Å; H530-E742 WeakPolarHBondContact CA-OE1 3.19Å; H530-E742 VanDerWaalsContact CA-OE2 3.3Å; H530-E742 WeakPolarHBondContact CA-OE2 3.35Å; H530-E742 WeakPolarHBondContact CB-OE1 3.21Å; H530-E742 IonicContact CE1-OE1 3.9Å; H530-E742 IonicContact CG-OE1 2.99Å; H530-E742 IonicContact ND1-OE1 3.04Å; H530-E742 PolarHBondContact ND1-OE1 3.24Å; L531-E742 PolarHBondContact N-OE2 3.45Å; V532-E742 PolarHBondContact N-OE2 3.48Å; N739-E742 CarbonylContact O-C 3.51Å; N739-E742 PolarHBondContact O-N 2.79Å; E742-G744 PolarHBondContact O-N 3.18Å |
| 743 | N | 50 | Low | 62.3 | Low | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -64.3 | 6.9 | 173.8 | -85.2 | -36 | 0 | 0 | 0 | 113.7 | K735 S738 N739 P740 L745 Y746 N747 | K735-N743 PolarHBondContact O-ND2 3.45Å; K735-N743 PolarHBondContact O-OD1 3.12Å; S738-N743 WeakPolarHBondContact CB-OD1 3.35Å; S738-N743 PolarHBondContact O-ND2 3.05Å; N739-N743 VanDerWaalsContact C-ND2 3.25Å; N739-N743 WeakPolarHBondContact O-CB 3.21Å; N739-N743 VanDerWaalsContact O-CG 3.29Å; N739-N743 PolarHBondContact O-N 2.8Å; N739-N743 PolarHBondContact O-ND2 3.25Å; P740-N743 WeakPolarHBondContact CA-ND2 3.19Å; N743-L745 PolarHBondContact O-N 3.47Å; N743-Y746 CarbonylContact O-C 3.5Å; N743-Y746 PolarHBondContact O-N 2.87Å; N743-N747 HydrophobicContact CB-CB 4.41Å; N743-N747 WeakPolarHBondContact O-CB 3.39Å; N743-N747 PolarHBondContact O-N 3.14Å |
| 744 | G | 52.6 | Low | 59.7 | Low | 10 Ų | 10 | 61.6 Ų | 61.6 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -50.1 | -27.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H554 E742 | H554-G744 PolarHBondContact CE1-O 2.78Å; H554-G744 VanDerWaalsContact ND1-CA 3.27Å; H554-G744 WeakPolarHBondContact ND1-CA 3.16Å; E742-G744 PolarHBondContact O-N 3.18Å |
| 745 | L | 57.2 | Low | 57.1 | Low | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -70.4 | -30.7 | 171.4 | -83.1 | 153.8 | 0 | 0 | 0 | 115.2 | I456 V505 W511 V532 I547 Y552 N743 | I456-L745 WeakPolarHBondContact CD1-O 3.49Å; V505-L745 HydrophobicContact CB-CD2 4.17Å; V505-L745 HydrophobicContact CG1-CD2 3.93Å; V505-L745 HydrophobicContact CG2-CD1 3.94Å; V505-L745 HydrophobicContact CG2-CD2 3.29Å; V505-L745 HydrophobicContact CG2-CG 4.21Å; W511-L745 HydrophobicContact CZ2-CD1 4.04Å; V532-L745 HydrophobicContact CG2-CD1 4.23Å; I547-L745 HydrophobicContact CD1-CD1 4.16Å; Y552-L745 HydrophobicContact CD1-CD2 3.72Å; Y552-L745 HydrophobicContact CG-CD2 4.17Å; N743-L745 PolarHBondContact O-N 3.47Å |
| 746 | Y | 59.1 | Low | 55.2 | Low | 6 Ų | 6 | 68 Ų | 68 | 2% | 0.024 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -1.6 | -170.7 | -52.9 | -64.7 | 0 | 0 | 0 | 114.1 | Y460 W511 V731 L734 K735 N743 | Y460-Y746 WeakPolarHBondContact CE2-O 3.42Å; Y460-Y746 PolarHBondContact OH-O 3.24Å; W511-Y746 PolarHBondContact NE1-OH 2.7Å; V731-Y746 HydrophobicContact CG1-CD1 4.06Å; V731-Y746 HydrophobicContact CG1-CE1 4.34Å; L734-Y746 HydrophobicContact CB-CE1 4.36Å; L734-Y746 HydrophobicContact CB-CE2 3.94Å; L734-Y746 HydrophobicContact CD1-CE1 4.48Å; L734-Y746 VanDerWaalsContact CD1-OH 3.26Å; L734-Y746 WeakPolarHBondContact CD1-OH 3.22Å; K735-Y746 HydrophobicContact CB-CG 4.38Å; N743-Y746 CarbonylContact O-C 3.5Å; N743-Y746 PolarHBondContact O-N 2.87Å |
| 747 | N | 50.7 | Low | 53.5 | Low | 33 Ų | 33 | 66.4 Ų | 66.4 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -125.6 | 120.8 | 172.5 | -85.8 | -23.8 | 0 | 0 | 0 | 107.6 | Y460 K735 N743 G749 | Y460-N747 PolarHBondContact OH-OD1 2.79Å; Y460-N747 VanDerWaalsContact OH-OD1 3.12Å; K735-N747 VanDerWaalsContact CE-OD1 3.23Å; K735-N747 WeakPolarHBondContact CE-OD1 2.96Å; K735-N747 PolarHBondContact NZ-OD1 3.4Å; K735-N747 VanDerWaalsContact NZ-OD1 3.1Å; N743-N747 HydrophobicContact CB-CB 4.41Å; N743-N747 WeakPolarHBondContact O-CB 3.39Å; N743-N747 PolarHBondContact O-N 3.14Å; N747-G749 PolarHBondContact O-N 3.24Å |
| 748 | S | 45.9 | Very low | 52 | Low | 13 Ų | 13 | 67.5 Ų | 67.5 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | trans | -61.8 | 136 | 161.7 | 68.6 | 0 | 0 | 0 | 0 | 108.3 | Y460 L750 | Y460-S748 WeakPolarHBondContact CB-OG 3.32Å; Y460-S748 VanDerWaalsContact CD1-OG 3.29Å; Y460-S748 WeakPolarHBondContact CD1-OG 3.21Å; Y460-S748 VanDerWaalsContact CG-OG 3.24Å; S748-L750 PolarHBondContact O-N 3.47Å | ||
| 749 | G | 46.5 | Very low | 50.6 | Low | 41 Ų | 41 | 71.1 Ų | 71.1 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 4.3 | 180 | 0 | 0 | 0 | 0 | 0 | 116.3 | N747 F751 R752 | N747-G749 PolarHBondContact O-N 3.24Å; G749-F751 VanDerWaalsContact C-N 3.27Å; G749-F751 PolarHBondContact O-N 3.34Å; G749-R752 WeakPolarHBondContact O-CB 3.17Å; G749-R752 PolarHBondContact O-N 3.47Å; G749-R752 VanDerWaalsContact O-N 3.15Å |
| 750 | L | 43.2 | Very low | 50.1 | Low | 86 Ų | 86 | 72.9 Ų | 72.9 | 45% | 0.45 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.7 | 176.3 | -91.2 | 142.4 | 0 | 0 | 0 | 113.8 | F461 S748 R752 I753 | F461-L750 HydrophobicContact CE1-CD1 4.36Å; S748-L750 PolarHBondContact O-N 3.47Å; L750-R752 PolarHBondContact O-N 3.34Å; L750-I753 PolarHBondContact O-N 2.93Å |
| 751 | F | 38.7 | Very low | 50.5 | Low | 120 Ų | 120 | 72.9 Ų | 72.9 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -17.6 | 174 | -100.8 | -84 | 0 | 0 | 0 | 113.3 | G749 Q755 | G749-F751 VanDerWaalsContact C-N 3.27Å; G749-F751 PolarHBondContact O-N 3.34Å; F751-Q755 WeakPolarHBondContact O-CB 3.38Å; F751-Q755 PolarHBondContact O-N 3.16Å |
| 752 | R | 43.6 | Very low | 51.2 | Low | 169 Ų | 169 | 70.6 Ų | 70.6 | 64% | 0.638 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.8 | -34.1 | 177.1 | -75.1 | -167.6 | 176 | -167.5 | 2.1 | 113.7 | G749 L750 S756 | G749-R752 WeakPolarHBondContact O-CB 3.17Å; G749-R752 PolarHBondContact O-N 3.47Å; G749-R752 VanDerWaalsContact O-N 3.15Å; L750-R752 PolarHBondContact O-N 3.34Å; R752-S756 WeakPolarHBondContact O-CB 3.47Å; R752-S756 PolarHBondContact O-N 3.21Å |
| 753 | I | 39.7 | Very low | 52 | Low | 112 Ų | 112 | 77.1 Ų | 77.1 | 57% | 0.574 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -75.2 | -45.1 | -174.6 | -58.7 | 177.6 | 0 | 0 | 0 | 110 | L750 I757 | L750-I753 PolarHBondContact O-N 2.93Å; I753-I757 HydrophobicContact CG2-CD1 3.76Å; I753-I757 WeakPolarHBondContact O-CB 3.27Å; I753-I757 WeakPolarHBondContact O-CD1 3.03Å; I753-I757 WeakPolarHBondContact O-CG1 3.34Å; I753-I757 PolarHBondContact O-N 2.86Å; I753-I757 VanDerWaalsContact O-N 3.14Å |
| 754 | H | 36.2 | Very low | 53.3 | Low | 155 Ų | 155 | 80.1 Ų | 80.1 | 72% | 0.718 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -73.2 | -40.2 | -179.6 | -98.4 | -67.7 | 0 | 0 | 0 | 113.9 | S758 | H754-S758 WeakPolarHBondContact O-CB 3.19Å; H754-S758 PolarHBondContact O-N 3.27Å |
| 755 | Q | 37.8 | Very low | 54.6 | Low | 116 Ų | 116 | 84 Ų | 84 | 54% | 0.542 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.7 | -34.1 | 177 | -83.5 | -171.9 | -15 | 0 | 0 | 113 | F751 S758 N759 | F751-Q755 WeakPolarHBondContact O-CB 3.38Å; F751-Q755 PolarHBondContact O-N 3.16Å; Q755-S758 PolarHBondContact O-N 2.99Å; Q755-N759 WeakPolarHBondContact O-CB 3.4Å; Q755-N759 PolarHBondContact O-N 2.75Å; Q755-N759 PolarHBondContact O-ND2 2.92Å |
| 756 | S | 46.3 | Very low | 55.6 | Low | 71 Ų | 71 | 88.6 Ų | 88.6 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 173.7 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | R752 T760 | R752-S756 WeakPolarHBondContact O-CB 3.47Å; R752-S756 PolarHBondContact O-N 3.21Å; S756-T760 VanDerWaalsContact O-CB 3.23Å; S756-T760 WeakPolarHBondContact O-CB 3.28Å; S756-T760 PolarHBondContact O-N 3.43Å; S756-T760 PolarHBondContact O-OG1 2.87Å |
| 757 | I | 50.9 | Low | 56.5 | Low | 88 Ų | 88 | 92 Ų | 92 | 45% | 0.451 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66 | -46.4 | 177.3 | -65.9 | 169 | 0 | 0 | 0 | 110.4 | I753 N759 T760 I761 | I753-I757 HydrophobicContact CG2-CD1 3.76Å; I753-I757 WeakPolarHBondContact O-CB 3.27Å; I753-I757 WeakPolarHBondContact O-CD1 3.03Å; I753-I757 WeakPolarHBondContact O-CG1 3.34Å; I753-I757 PolarHBondContact O-N 2.86Å; I753-I757 VanDerWaalsContact O-N 3.14Å; I757-N759 PolarHBondContact O-N 2.88Å; I757-T760 PolarHBondContact O-N 3.14Å; I757-I761 HydrophobicContact CG2-CD1 3.5Å; I757-I761 HydrophobicContact CG2-CG1 4.17Å; I757-I761 WeakPolarHBondContact O-CB 3.5Å; I757-I761 WeakPolarHBondContact O-CG1 3.37Å; I757-I761 PolarHBondContact O-N 3.15Å |
| 758 | S | 55.8 | Low | 57.8 | Low | 69 Ų | 69 | 96.8 Ų | 96.8 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 178.5 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | H754 Q755 M762 | H754-S758 WeakPolarHBondContact O-CB 3.19Å; H754-S758 PolarHBondContact O-N 3.27Å; Q755-S758 PolarHBondContact O-N 2.99Å; S758-M762 WeakPolarHBondContact O-CB 3.42Å; S758-M762 PolarHBondContact O-N 3.04Å |
| 759 | N | 54.7 | Low | 59.5 | Low | 83 Ų | 83 | 100 Ų | 100 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.3 | -34.1 | 176.8 | -80.6 | -25.4 | 0 | 0 | 0 | 112 | Q755 I757 K763 | Q755-N759 WeakPolarHBondContact O-CB 3.4Å; Q755-N759 PolarHBondContact O-N 2.75Å; Q755-N759 PolarHBondContact O-ND2 2.92Å; I757-N759 PolarHBondContact O-N 2.88Å; N759-K763 VanDerWaalsContact O-CB 3.27Å; N759-K763 WeakPolarHBondContact O-CB 3.23Å; N759-K763 VanDerWaalsContact O-CG 3.24Å; N759-K763 WeakPolarHBondContact O-CG 3.37Å; N759-K763 PolarHBondContact O-N 3.18Å |
| 760 | T | 65 | Low | 61.2 | Low | 76 Ų | 76 | 102.2 Ų | 102.2 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.6 | -41.9 | 176.4 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | S756 I757 K763 C764 | S756-T760 VanDerWaalsContact O-CB 3.23Å; S756-T760 WeakPolarHBondContact O-CB 3.28Å; S756-T760 PolarHBondContact O-N 3.43Å; S756-T760 PolarHBondContact O-OG1 2.87Å; I757-T760 PolarHBondContact O-N 3.14Å; T760-K763 PolarHBondContact O-N 3.28Å; T760-C764 WeakPolarHBondContact O-CB 3.21Å; T760-C764 PolarHBondContact O-N 2.8Å; T760-C764 PolarHBondContact O-SG 3.44Å |
| 761 | I | 72.7 | Confident | 62.8 | Low | 92 Ų | 92 | 103.4 Ų | 103.4 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 172.6 | -69 | 170.4 | 0 | 0 | 0 | 110.2 | I757 K763 C764 I765 | I757-I761 HydrophobicContact CG2-CD1 3.5Å; I757-I761 HydrophobicContact CG2-CG1 4.17Å; I757-I761 WeakPolarHBondContact O-CB 3.5Å; I757-I761 WeakPolarHBondContact O-CG1 3.37Å; I757-I761 PolarHBondContact O-N 3.15Å; I761-K763 VanDerWaalsContact C-N 3.34Å; I761-K763 PolarHBondContact O-N 2.85Å; I761-C764 PolarHBondContact O-N 3.42Å; I761-I765 HydrophobicContact CG2-CD1 3.67Å; I761-I765 HydrophobicContact CG2-CG1 4.28Å; I761-I765 WeakPolarHBondContact O-CB 3.3Å; I761-I765 VanDerWaalsContact O-CG1 3.28Å; I761-I765 WeakPolarHBondContact O-CG1 3.2Å; I761-I765 PolarHBondContact O-N 2.65Å |
| 762 | M | 71.1 | Confident | 64.7 | Low | 114 Ų | 114 | 102 Ų | 102 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 179.4 | -165.2 | 175.1 | 78.7 | 0 | 0 | 111.3 | S758 I765 L766 | S758-M762 WeakPolarHBondContact O-CB 3.42Å; S758-M762 PolarHBondContact O-N 3.04Å; M762-I765 PolarHBondContact O-N 2.88Å; M762-L766 WeakPolarHBondContact O-CB 3.24Å; M762-L766 PolarHBondContact O-N 2.91Å |
| 763 | K | 73.8 | Confident | 66.1 | Low | 152 Ų | 152 | 101.4 Ų | 101.4 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 171.9 | -79.1 | 178.3 | -179.7 | -177.5 | 0 | 112 | N759 T760 I761 L766 T767 | N759-K763 VanDerWaalsContact O-CB 3.27Å; N759-K763 WeakPolarHBondContact O-CB 3.23Å; N759-K763 VanDerWaalsContact O-CG 3.24Å; N759-K763 WeakPolarHBondContact O-CG 3.37Å; N759-K763 PolarHBondContact O-N 3.18Å; T760-K763 PolarHBondContact O-N 3.28Å; I761-K763 VanDerWaalsContact C-N 3.34Å; I761-K763 PolarHBondContact O-N 2.85Å; K763-L766 PolarHBondContact O-N 3.24Å; K763-T767 PolarHBondContact O-N 3.38Å; K763-T767 PolarHBondContact O-OG1 3.36Å |
| 764 | C | 77 | Confident | 67.5 | Low | 71 Ų | 71 | 102 Ų | 102 | 48% | 0.48 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 176.3 | -76.7 | 0 | 0 | 0 | 0 | 112.6 | T760 I761 T767 M768 | T760-C764 WeakPolarHBondContact O-CB 3.21Å; T760-C764 PolarHBondContact O-N 2.8Å; T760-C764 PolarHBondContact O-SG 3.44Å; I761-C764 PolarHBondContact O-N 3.42Å; C764-T767 WeakPolarHBondContact CA-OG1 3.44Å; C764-T767 PolarHBondContact O-OG1 2.89Å; C764-M768 VanDerWaalsContact O-CB 3.31Å; C764-M768 WeakPolarHBondContact O-CB 3.4Å; C764-M768 WeakPolarHBondContact O-CG 3.17Å; C764-M768 PolarHBondContact O-N 3.27Å |
| 765 | I | 80 | Confident | 68.6 | Low | 91 Ų | 91 | 101.7 Ų | 101.7 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 173.8 | -68.5 | 167.9 | 0 | 0 | 0 | 109.4 | I761 M762 T767 M768 I769 | I761-I765 HydrophobicContact CG2-CD1 3.67Å; I761-I765 HydrophobicContact CG2-CG1 4.28Å; I761-I765 WeakPolarHBondContact O-CB 3.3Å; I761-I765 VanDerWaalsContact O-CG1 3.28Å; I761-I765 WeakPolarHBondContact O-CG1 3.2Å; I761-I765 PolarHBondContact O-N 2.65Å; M762-I765 PolarHBondContact O-N 2.88Å; I765-T767 PolarHBondContact O-N 2.82Å; I765-M768 PolarHBondContact O-N 2.89Å; I765-I769 HydrophobicContact CG2-CD1 3.66Å; I765-I769 HydrophobicContact CG2-CG1 4.27Å; I765-I769 WeakPolarHBondContact O-CB 3.45Å; I765-I769 WeakPolarHBondContact O-CG1 3.34Å; I765-I769 PolarHBondContact O-N 2.88Å |
| 766 | L | 79 | Confident | 69.3 | Low | 103 Ų | 103 | 104.6 Ų | 104.6 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63 | -43.6 | 178.4 | -142 | 85.9 | 0 | 0 | 0 | 111.6 | M762 K763 I769 I770 | M762-L766 WeakPolarHBondContact O-CB 3.24Å; M762-L766 PolarHBondContact O-N 2.91Å; K763-L766 PolarHBondContact O-N 3.24Å; L766-I769 PolarHBondContact O-N 3.18Å; L766-I770 HydrophobicContact CD2-CD1 4.43Å; L766-I770 HydrophobicContact CG-CD1 4.45Å; L766-I770 WeakPolarHBondContact O-CB 3.42Å; L766-I770 WeakPolarHBondContact O-CD1 3.31Å; L766-I770 WeakPolarHBondContact O-CG1 3.27Å; L766-I770 PolarHBondContact O-N 3.26Å |
| 767 | T | 78.1 | Confident | 70.4 | Confident | 76 Ų | 76 | 106.3 Ų | 106.3 | 47% | 0.466 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.6 | -37.6 | 175.2 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | K763 C764 I765 I770 L771 | K763-T767 PolarHBondContact O-N 3.38Å; K763-T767 PolarHBondContact O-OG1 3.36Å; C764-T767 WeakPolarHBondContact CA-OG1 3.44Å; C764-T767 PolarHBondContact O-OG1 2.89Å; I765-T767 PolarHBondContact O-N 2.82Å; T767-I770 PolarHBondContact O-N 2.87Å; T767-L771 VanDerWaalsContact O-CB 3.3Å; T767-L771 WeakPolarHBondContact O-CB 3.27Å; T767-L771 WeakPolarHBondContact O-CD1 3.3Å; T767-L771 VanDerWaalsContact O-CG 3.27Å; T767-L771 WeakPolarHBondContact O-CG 3.41Å; T767-L771 PolarHBondContact O-N 3.26Å |
| 768 | M | 78.5 | Confident | 71.4 | Confident | 135 Ų | 135 | 107.2 Ų | 107.2 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.3 | -45.4 | 171.4 | -88 | -121.3 | -162.7 | 0 | 0 | 111.7 | C764 I765 L771 V772 | C764-M768 VanDerWaalsContact O-CB 3.31Å; C764-M768 WeakPolarHBondContact O-CB 3.4Å; C764-M768 WeakPolarHBondContact O-CG 3.17Å; C764-M768 PolarHBondContact O-N 3.27Å; I765-M768 PolarHBondContact O-N 2.89Å; M768-L771 PolarHBondContact O-N 3.42Å; M768-V772 VanDerWaalsContact O-CG2 3.27Å; M768-V772 WeakPolarHBondContact O-CG2 3.45Å; M768-V772 PolarHBondContact O-N 3.29Å |
| 769 | I | 81.3 | Confident | 72.3 | Confident | 80 Ų | 80 | 109.3 Ų | 109.3 | 41% | 0.41 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.1 | -48.6 | 176.7 | -70.7 | 169.2 | 0 | 0 | 0 | 109.7 | I765 L766 L771 V772 F773 | I765-I769 HydrophobicContact CG2-CD1 3.66Å; I765-I769 HydrophobicContact CG2-CG1 4.27Å; I765-I769 WeakPolarHBondContact O-CB 3.45Å; I765-I769 WeakPolarHBondContact O-CG1 3.34Å; I765-I769 PolarHBondContact O-N 2.88Å; L766-I769 PolarHBondContact O-N 3.18Å; I769-L771 VanDerWaalsContact C-N 3.32Å; I769-L771 PolarHBondContact O-N 2.83Å; I769-V772 PolarHBondContact O-N 3.49Å; I769-F773 HydrophobicContact CG2-CD2 3.6Å; I769-F773 HydrophobicContact CG2-CE2 3.77Å; I769-F773 VanDerWaalsContact O-CD2 3.3Å; I769-F773 WeakPolarHBondContact O-CD2 3.27Å; I769-F773 PolarHBondContact O-N 2.84Å |
| 770 | I | 81.6 | Confident | 73.3 | Confident | 88 Ų | 88 | 110.9 Ų | 110.9 | 45% | 0.451 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.2 | -39.6 | 178.3 | -67.2 | 162.9 | 0 | 0 | 0 | 111.5 | L766 T767 N774 | L766-I770 HydrophobicContact CD2-CD1 4.43Å; L766-I770 HydrophobicContact CG-CD1 4.45Å; L766-I770 WeakPolarHBondContact O-CB 3.42Å; L766-I770 WeakPolarHBondContact O-CD1 3.31Å; L766-I770 WeakPolarHBondContact O-CG1 3.27Å; L766-I770 PolarHBondContact O-N 3.26Å; T767-I770 PolarHBondContact O-N 2.87Å; I770-N774 WeakPolarHBondContact O-CB 3.35Å; I770-N774 PolarHBondContact O-N 2.86Å; I770-N774 VanDerWaalsContact O-N 3.07Å; I770-N774 PolarHBondContact O-ND2 3.5Å |
| 771 | L | 77.7 | Confident | 73.9 | Confident | 111 Ų | 111 | 113.1 Ų | 113.1 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69 | -36.3 | 177.7 | -79.2 | 163.5 | 0 | 0 | 0 | 112.7 | T767 M768 I769 | T767-L771 VanDerWaalsContact O-CB 3.3Å; T767-L771 WeakPolarHBondContact O-CB 3.27Å; T767-L771 WeakPolarHBondContact O-CD1 3.3Å; T767-L771 VanDerWaalsContact O-CG 3.27Å; T767-L771 WeakPolarHBondContact O-CG 3.41Å; T767-L771 PolarHBondContact O-N 3.26Å; M768-L771 PolarHBondContact O-N 3.42Å; I769-L771 VanDerWaalsContact C-N 3.32Å; I769-L771 PolarHBondContact O-N 2.83Å |
| 772 | V | 78.9 | Confident | 73.9 | Confident | 89 Ų | 89 | 114.5 Ų | 114.5 | 54% | 0.539 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.1 | -43.2 | 176 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | M768 I769 N774 N775 V776 | M768-V772 VanDerWaalsContact O-CG2 3.27Å; M768-V772 WeakPolarHBondContact O-CG2 3.45Å; M768-V772 PolarHBondContact O-N 3.29Å; I769-V772 PolarHBondContact O-N 3.49Å; V772-N774 VanDerWaalsContact C-N 3.31Å; V772-N774 PolarHBondContact O-N 3.41Å; V772-N775 PolarHBondContact O-N 3.07Å; V772-V776 PolarHBondContact O-N 3.43Å |
| 773 | F | 71.9 | Confident | 74.1 | Confident | 158 Ų | 158 | 114.5 Ų | 114.5 | 69% | 0.693 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.7 | -24 | 179 | -87.7 | -77.3 | 0 | 0 | 0 | 114.1 | I769 | I769-F773 HydrophobicContact CG2-CD2 3.6Å; I769-F773 HydrophobicContact CG2-CE2 3.77Å; I769-F773 VanDerWaalsContact O-CD2 3.3Å; I769-F773 WeakPolarHBondContact O-CD2 3.27Å; I769-F773 PolarHBondContact O-N 2.84Å |
| 774 | N | 70.4 | Confident | 74.2 | Confident | 125 Ų | 125 | 111.6 Ų | 111.6 | 67% | 0.668 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -6.6 | 175.1 | -78.5 | -22.8 | 0 | 0 | 0 | 114 | I770 V772 | I770-N774 WeakPolarHBondContact O-CB 3.35Å; I770-N774 PolarHBondContact O-N 2.86Å; I770-N774 VanDerWaalsContact O-N 3.07Å; I770-N774 PolarHBondContact O-ND2 3.5Å; V772-N774 VanDerWaalsContact C-N 3.31Å; V772-N774 PolarHBondContact O-N 3.41Å |
| 775 | N | 58.1 | Low | 73.9 | Confident | 148 Ų | 148 | 115 Ų | 115 | 79% | 0.791 | 61% | 0.612 | S | S | * | * | trans | -113.9 | 7.8 | 179.8 | -91.3 | -21.4 | 0 | 0 | 0 | 114 | V772 | V772-N775 PolarHBondContact O-N 3.07Š| ||
| 776 | V | 51.7 | Low | 73.4 | Confident | 176 Ų | 176 | 117.2 Ų | 117.2 | 100% | 1.067 | 63% | 0.625 | S | S | * | * | trans | -111.9 | 0 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | V772 | V772-V776 PolarHBondContact O-N 3.43Š|
Retrieved 776 of 776 residues in 291.5 ms
(Link to these results)