| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 60 | Low | 214 Ų | 214 | 94.5 Ų | 94.5 | 100% | 1.054 | 54% | 0.535 | S | S | * | . | 0 | 112.9 | 0 | -127.4 | 167.7 | -177.4 | 0 | 0 | 106.6 | V3 | M1-V3 PolarHBondContact O-N 3.04Š| |||
| 2 | A | 43.8 | Very low | 63.2 | Low | 103 Ų | 103 | 86.6 Ų | 86.6 | 85% | 0.851 | 49% | 0.491 | S | S | * | . | trans | -72.2 | 100.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | K4 | A2-K4 PolarHBondContact O-N 2.95Š| ||
| 3 | V | 46.5 | Very low | 65.9 | Low | 86 Ų | 86 | 79.9 Ų | 79.9 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | trans | -56.9 | 109.6 | 167 | 177.6 | 0 | 0 | 0 | 0 | 105.9 | M1 V5 I268 | M1-V3 PolarHBondContact O-N 3.04Å; V3-V5 PolarHBondContact O-N 3Å; V3-I268 HydrophobicContact CG1-CB 4.12Å; V3-I268 HydrophobicContact CG1-CG2 4.47Å | ||
| 4 | K | 48.8 | Very low | 68.3 | Low | 171 Ų | 171 | 74.2 Ų | 74.2 | 74% | 0.743 | 42% | 0.421 | S | S | * | . | trans | -61.2 | 106.4 | 165.8 | -98.2 | -179.2 | 173.5 | 179.3 | 0 | 105.2 | A2 A6 | A2-K4 PolarHBondContact O-N 2.95Å; K4-A6 PolarHBondContact O-N 2.99Å | ||
| 5 | V | 51.9 | Low | 70.3 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 47% | 0.473 | 39% | 0.393 | S | S | . | . | trans | -64.2 | 98.1 | 164.7 | -180 | 0 | 0 | 0 | 0 | 104.6 | V3 L7 | V3-V5 PolarHBondContact O-N 3Å; V5-L7 HydrophobicContact CG1-CD2 4.43Å; V5-L7 HydrophobicContact CG1-CG 4.28Å; V5-L7 PolarHBondContact O-N 2.96Å | ||
| 6 | A | 46.9 | Very low | 72 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 21% | 0.207 | 37% | 0.369 | C | S | . | . | trans | -62.3 | 97.7 | 161 | 0 | 0 | 0 | 0 | 0 | 104.9 | K4 N8 E269 | K4-A6 PolarHBondContact O-N 2.99Å; A6-N8 PolarHBondContact O-N 3.3Å; A6-E269 HydrophobicContact CB-CB 4.37Å | ||
| 7 | L | 53.3 | Low | 73.4 | Confident | 116 Ų | 116 | 61.9 Ų | 61.9 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | trans | -64.2 | 83.8 | 164.7 | -77 | 161.2 | 0 | 0 | 0 | 105.3 | V5 C9 G37 | V5-L7 HydrophobicContact CG1-CD2 4.43Å; V5-L7 HydrophobicContact CG1-CG 4.28Å; V5-L7 PolarHBondContact O-N 2.96Å; L7-C9 PolarHBondContact O-N 2.95Å; L7-C9 VanDerWaalsContact O-N 3.16Å; L7-G37 WeakPolarHBondContact CD2-O 3.43Å | ||
| 8 | N | 59.8 | Low | 74.8 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | trans | -45.2 | 126.4 | 154.3 | -91.4 | -9.1 | 0 | 0 | 0 | 105.2 | A6 L10 R267 | A6-N8 PolarHBondContact O-N 3.3Å; N8-L10 PolarHBondContact O-N 3.01Å; N8-R267 WeakPolarHBondContact ND2-CB 3.47Å; N8-R267 WeakPolarHBondContact ND2-CG 3.37Å | ||
| 9 | C | 78.2 | Confident | 76 | Confident | 113 Ų | 113 | 57.9 Ų | 57.9 | 76% | 0.764 | 33% | 0.326 | S | S | * | . | trans | -68 | 69.5 | -171.6 | -168 | 0 | 0 | 0 | 0 | 109.9 | L7 K11 T83 | L7-C9 PolarHBondContact O-N 2.95Å; L7-C9 VanDerWaalsContact O-N 3.16Å; C9-K11 PolarHBondContact O-N 3.45Å; C9-K11 VanDerWaalsContact O-N 3.17Å; C9-T83 WeakPolarHBondContact O-CG2 3.43Å | ||
| 10 | L | 95.3 | Very high | 77.1 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | trans | -69 | 111.1 | 175.5 | -66.2 | -175.6 | 0 | 0 | 0 | 106.3 | N8 I38 E39 H84 E265 | N8-L10 PolarHBondContact O-N 3.01Å; L10-I38 HydrophobicContact CB-CG1 4.26Å; L10-I38 HydrophobicContact CB-CG2 3.98Å; L10-I38 HydrophobicContact CD1-CD1 4.11Å; L10-I38 HydrophobicContact CD1-CG1 4.07Å; L10-E39 PolarHBondContact O-N 3.44Å; L10-H84 VanDerWaalsContact CD2-CE1 3.48Å; L10-H84 WeakPolarHBondContact CD2-CE1 3.34Å; L10-E265 HydrophobicContact CD1-CB 4.03Å; L10-E265 HydrophobicContact CD2-CB 4.33Å | ||
| 11 | K | 97.4 | Very high | 78 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.4 | 170.2 | -160.7 | -175.2 | -175.4 | -161.2 | 0 | 109.1 | C9 E39 D41 L79 K81 Y82 T83 H84 | C9-K11 PolarHBondContact O-N 3.45Å; C9-K11 VanDerWaalsContact O-N 3.17Å; K11-E39 CarbonylContact C-O 3.5Å; K11-E39 WeakPolarHBondContact CA-O 3.48Å; K11-E39 HydrophobicContact CB-CB 4.45Å; K11-E39 HydrophobicContact CG-CB 4.12Å; K11-E39 HydrophobicContact CG-CG 3.95Å; K11-D41 WeakPolarHBondContact CE-OD2 3.43Å; K11-D41 IonicContact NZ-OD2 3.85Å; K11-D41 PolarHBondContact NZ-OD2 2.87Å; K11-L79 PolarHBondContact NZ-O 3.41Å; K11-K81 WeakPolarHBondContact CD-O 3.47Å; K11-Y82 HydrophobicContact CB-CD1 4.37Å; K11-Y82 HydrophobicContact CD-CD1 3.91Å; K11-Y82 HydrophobicContact CD-CE1 3.92Å; K11-Y82 HydrophobicContact CG-CD1 3.8Å; K11-Y82 HydrophobicContact CG-CE1 4.05Å; K11-T83 PolarHBondContact N-OG1 2.94Å; K11-T83 PolarHBondContact O-N 3.48Å; K11-T83 PolarHBondContact O-OG1 2.89Å; K11-H84 PolarHBondContact O-N 2.85Å; K11-H84 VanDerWaalsContact O-N 3.16Å |
| 12 | V | 98.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.2 | -177 | -173 | 0 | 0 | 0 | 0 | 109.2 | I38 E39 V40 D41 H84 L86 L261 | V12-I38 HydrophobicContact CB-CG2 4.41Å; V12-I38 HydrophobicContact CG2-CG2 3.42Å; V12-I38 VanDerWaalsContact CG2-CG2 3.42Å; V12-E39 PolarHBondContact N-O 2.83Å; V12-V40 WeakPolarHBondContact O-CA 3.1Å; V12-D41 PolarHBondContact O-N 3.29Å; V12-H84 WeakPolarHBondContact CA-O 3.19Å; V12-H84 HydrophobicContact CB-CB 4.46Å; V12-H84 HydrophobicContact CG1-CB 4.29Å; V12-H84 HydrophobicContact CG2-CB 4.04Å; V12-L86 HydrophobicContact CG1-CB 4.06Å; V12-L261 HydrophobicContact CG1-CD1 4.01Å; V12-L261 HydrophobicContact CG2-CD1 4.35Å; V12-L261 HydrophobicContact CG2-CD2 3.87Å |
| 13 | L | 98.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.2 | 162.9 | 177.6 | 62.8 | 0 | 0 | 0 | 109.2 | I15 D41 I43 Y82 H84 V85 L86 I102 L106 | L13-I15 HydrophobicContact CD2-CD1 4.11Å; L13-I15 HydrophobicContact CD2-CG1 4.38Å; L13-I15 HydrophobicContact CG-CD1 4.37Å; L13-I15 HydrophobicContact CG-CG1 4.09Å; L13-D41 CarbonylContact C-O 3.52Å; L13-D41 WeakPolarHBondContact CA-O 3.18Å; L13-D41 HydrophobicContact CD1-CB 4.15Å; L13-I43 HydrophobicContact CD1-CD1 4.27Å; L13-I43 HydrophobicContact CD1-CG1 4.26Å; L13-Y82 HydrophobicContact CB-CD1 3.81Å; L13-Y82 HydrophobicContact CB-CD2 3.96Å; L13-Y82 HydrophobicContact CB-CE1 3.84Å; L13-Y82 HydrophobicContact CB-CE2 3.96Å; L13-Y82 HydrophobicContact CB-CG 3.89Å; L13-Y82 HydrophobicContact CD1-CE2 4.38Å; L13-Y82 HydrophobicContact CD2-CD2 4.25Å; L13-Y82 HydrophobicContact CD2-CE2 3.93Å; L13-Y82 HydrophobicContact CG-CE2 4.31Å; L13-H84 PolarHBondContact N-O 3.12Å; L13-V85 HydrophobicContact CB-CG2 4.34Å; L13-V85 CarbonylContact O-C 3.58Å; L13-V85 WeakPolarHBondContact O-CA 3.3Å; L13-L86 PolarHBondContact O-N 2.93Å; L13-I102 HydrophobicContact CD2-CG2 4.31Å; L13-L106 HydrophobicContact CD2-CD1 3.86Å |
| 14 | C | 98.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.5 | 175.4 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | N26 V40 D41 F42 I43 L86 | C14-N26 VanDerWaalsContact CB-OD1 3.25Å; C14-N26 WeakPolarHBondContact CB-OD1 3.45Å; C14-V40 HydrophobicContact CB-CG1 4.28Å; C14-V40 VanDerWaalsContact SG-CG1 3.57Å; C14-D41 PolarHBondContact N-O 2.89Å; C14-F42 HydrophobicContact CB-CB 4.03Å; C14-F42 CarbonylContact O-C 3.54Å; C14-F42 WeakPolarHBondContact O-CA 3.23Å; C14-I43 PolarHBondContact O-N 3.27Å; C14-L86 CarbonylContact C-O 3.58Å; C14-L86 VanDerWaalsContact CA-O 3.27Å; C14-L86 WeakPolarHBondContact CA-O 3.31Å |
| 15 | I | 98.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 96.2 | 175.3 | -47.2 | 178.8 | 0 | 0 | 0 | 108.9 | L13 I43 M67 L86 T87 G88 L90 V99 I102 | L13-I15 HydrophobicContact CD2-CD1 4.11Å; L13-I15 HydrophobicContact CD2-CG1 4.38Å; L13-I15 HydrophobicContact CG-CD1 4.37Å; L13-I15 HydrophobicContact CG-CG1 4.09Å; I15-I43 WeakPolarHBondContact CA-O 3.39Å; I15-I43 HydrophobicContact CD1-CD1 4.34Å; I15-I43 HydrophobicContact CG1-CB 4.27Å; I15-I43 HydrophobicContact CG1-CD1 4.38Å; I15-I43 HydrophobicContact CG2-CB 4.25Å; I15-I43 HydrophobicContact CG2-CG2 4.35Å; I15-M67 HydrophobicContact CG2-CE 3.89Å; I15-M67 HydrophobicContact CG2-SD 4.19Å; I15-L86 PolarHBondContact N-O 3.1Å; I15-T87 HydrophobicContact CB-CG2 4.15Å; I15-T87 WeakPolarHBondContact O-CA 3.47Å; I15-G88 PolarHBondContact O-N 3.14Å; I15-L90 HydrophobicContact CG2-CD2 4.39Å; I15-V99 HydrophobicContact CB-CG2 4.49Å; I15-V99 HydrophobicContact CD1-CG2 4.19Å; I15-V99 HydrophobicContact CG2-CG2 3.9Å; I15-I102 HydrophobicContact CD1-CG2 4.39Å |
| 16 | Q | 97.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 178.6 | -173.3 | -48.7 | -175.9 | 19 | 0 | 0 | 111 | G25 N26 I43 N44 S45 | Q16-G25 VanDerWaalsContact OE1-CA 3.29Å; Q16-G25 PolarHBondContact OE1-O 2.9Å; Q16-N26 WeakPolarHBondContact CB-OD1 3.42Å; Q16-N26 PolarHBondContact O-ND2 2.87Å; Q16-I43 PolarHBondContact N-O 3.35Å; Q16-N44 CarbonylContact O-C 3.58Å; Q16-N44 WeakPolarHBondContact O-CA 3.11Å; Q16-S45 PolarHBondContact O-N 3.16Å; Q16-S45 PolarHBondContact O-OG 3.34Å |
| 17 | S | 96.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 8% | 0.077 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 161.3 | 173.3 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | G25 N26 S45 V46 | S17-G25 CarbonylContact O-C 3.42Å; S17-G25 WeakPolarHBondContact O-CA 3.19Å; S17-G25 WeakPolarHBondContact OG-CA 3.07Å; S17-N26 PolarHBondContact O-N 3.36Å; S17-S45 PolarHBondContact N-OG 2.84Å; S17-V46 VanDerWaalsContact CB-CG2 3.43Å |
| 18 | H | 98.2 | Very high | 94.9 | Very high | 45 Ų | 45 | 28.8 Ų | 28.8 | 21% | 0.208 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144.9 | 168.7 | 171.4 | -87.3 | 0 | 0 | 0 | 111.2 | N44 V46 Q47 F48 | H18-N44 HydrophobicContact CB-CB 3.78Å; H18-N44 WeakPolarHBondContact CB-OD1 3.47Å; H18-V46 WeakPolarHBondContact CB-O 3.39Å; H18-V46 PolarHBondContact N-O 2.84Å; H18-Q47 WeakPolarHBondContact O-CA 3.5Å; H18-F48 PolarHBondContact O-N 2.99Å |
| 19 | V | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.5 | 177.9 | -63.7 | 0 | 0 | 0 | 0 | 112 | H21 V24 K27 F48 | V19-H21 WeakPolarHBondContact CB-O 3.38Å; V19-H21 WeakPolarHBondContact CG2-O 3.4Å; V19-V24 HydrophobicContact CB-CG2 4.25Å; V19-V24 HydrophobicContact CG1-CG2 3.48Å; V19-V24 VanDerWaalsContact CG1-CG2 3.48Å; V19-V24 HydrophobicContact CG2-CG2 3.7Å; V19-K27 HydrophobicContact CG2-CD 4.23Å; V19-K27 WeakPolarHBondContact O-CD 3.46Å; V19-F48 CarbonylContact C-O 3.52Å; V19-F48 VanDerWaalsContact CA-O 3.28Å; V19-F48 WeakPolarHBondContact CA-O 3.18Å; V19-F48 HydrophobicContact CG1-CB 4.45Å |
| 20 | V | 97.9 | Very high | 97.6 | Very high | 94 Ų | 94 | 20.6 Ų | 20.6 | 57% | 0.57 | 10% | 0.103 | S | C | * | . | S | Bend | trans | -69.3 | -49.4 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | K27 F48 S49 | V20-K27 PolarHBondContact O-NZ 3.28Å; V20-F48 PolarHBondContact N-O 2.95Å; V20-S49 PolarHBondContact N-O 2.94Å |
| 21 | H | 96.5 | Very high | 97.8 | Very high | 82 Ų | 82 | 21.8 Ų | 21.8 | 38% | 0.38 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -105.3 | 143.2 | 175 | -175.4 | 80.9 | 0 | 0 | 0 | 111.1 | V19 S49 N50 Y54 | V19-H21 WeakPolarHBondContact CB-O 3.38Å; V19-H21 WeakPolarHBondContact CG2-O 3.4Å; H21-S49 WeakPolarHBondContact CB-O 3.35Å; H21-S49 PolarHBondContact N-O 3.28Å; H21-N50 HydrophobicContact CB-CB 4.38Å; H21-Y54 AromaticContact CD2-CZ 3.88Å; H21-Y54 PolarHBondContact CD2-OH 3.35Å; H21-Y54 PolarHBondContact NE2-OH 3.34Å |
| 22 | G | 96.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 20 Ų | 20 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 85.6 | -173 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K27 E318 | G22-K27 WeakPolarHBondContact O-CD 3.43Å; G22-K27 WeakPolarHBondContact O-CE 3.21Å; G22-K27 PolarHBondContact O-NZ 2.74Å; G22-E318 VanDerWaalsContact CA-OE1 3.27Å; G22-E318 WeakPolarHBondContact CA-OE1 3.36Å; G22-E318 WeakPolarHBondContact CA-OE2 3.47Å |
| 23 | Y | 97.5 | Very high | 97.7 | Very high | 52 Ų | 52 | 20 Ų | 20 | 20% | 0.204 | 10% | 0.1 | C | C | . | . | trans | -135.8 | 90.6 | -174.3 | -65 | -81.6 | 0 | 0 | 0 | 112.5 | K27 E318 L319 I321 I322 | Y23-K27 HydrophobicContact CD1-CG 4.09Å; Y23-E318 PolarHBondContact N-OE2 2.99Å; Y23-L319 WeakPolarHBondContact CD2-O 3.38Å; Y23-L319 VanDerWaalsContact CE2-O 3.27Å; Y23-L319 WeakPolarHBondContact CE2-O 3.37Å; Y23-I321 HydrophobicContact CD1-CD1 3.22Å; Y23-I321 HydrophobicContact CD1-CG1 3.59Å; Y23-I321 HydrophobicContact CE1-CD1 3.53Å; Y23-I321 HydrophobicContact CE1-CG1 3.55Å; Y23-I321 HydrophobicContact CG-CD1 3.99Å; Y23-I321 HydrophobicContact CG-CG1 4.11Å; Y23-I322 HydrophobicContact CE1-CG1 4.43Å; Y23-I322 WeakPolarHBondContact OH-CG1 3.34Å | ||
| 24 | V | 96.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | trans | -140.9 | 163.5 | 173.2 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | V19 K27 H51 I250 | V19-V24 HydrophobicContact CB-CG2 4.25Å; V19-V24 HydrophobicContact CG1-CG2 3.48Å; V19-V24 VanDerWaalsContact CG1-CG2 3.48Å; V19-V24 HydrophobicContact CG2-CG2 3.7Å; V24-K27 WeakPolarHBondContact O-CB 3.42Å; V24-K27 PolarHBondContact O-N 3.28Å; V24-H51 HydrophobicContact CG1-CB 3.85Å; V24-H51 HydrophobicContact CG2-CB 3.95Å; V24-I250 HydrophobicContact CG1-CB 4.45Å; V24-I250 HydrophobicContact CG1-CG2 3.67Å | ||
| 25 | G | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | -136.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q16 S17 K27 I28 A29 D254 | Q16-G25 VanDerWaalsContact OE1-CA 3.29Å; Q16-G25 PolarHBondContact OE1-O 2.9Å; S17-G25 CarbonylContact O-C 3.42Å; S17-G25 WeakPolarHBondContact O-CA 3.19Å; S17-G25 WeakPolarHBondContact OG-CA 3.07Å; G25-K27 PolarHBondContact O-N 2.98Å; G25-K27 VanDerWaalsContact O-N 3.08Å; G25-I28 WeakPolarHBondContact O-CG2 3.32Å; G25-I28 PolarHBondContact O-N 3Å; G25-I28 VanDerWaalsContact O-N 3.1Å; G25-A29 WeakPolarHBondContact O-CB 2.97Å; G25-A29 PolarHBondContact O-N 2.64Å; G25-D254 VanDerWaalsContact N-CG 3.29Å; G25-D254 PolarHBondContact N-OD2 3.33Å |
| 26 | N | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.2 | -31.1 | 178.9 | -78.6 | -22.4 | 0 | 0 | 0 | 112.6 | C14 Q16 S17 I28 A29 V30 I43 N44 | C14-N26 VanDerWaalsContact CB-OD1 3.25Å; C14-N26 WeakPolarHBondContact CB-OD1 3.45Å; Q16-N26 WeakPolarHBondContact CB-OD1 3.42Å; Q16-N26 PolarHBondContact O-ND2 2.87Å; S17-N26 PolarHBondContact O-N 3.36Å; N26-I28 VanDerWaalsContact C-N 3.27Å; N26-I28 PolarHBondContact O-N 3Å; N26-A29 PolarHBondContact O-N 3.17Å; N26-V30 HydrophobicContact CB-CG2 4.12Å; N26-V30 WeakPolarHBondContact O-CB 3.36Å; N26-V30 WeakPolarHBondContact O-CG2 3.32Å; N26-V30 PolarHBondContact O-N 2.85Å; N26-I43 PolarHBondContact ND2-O 3.3Å; N26-N44 PolarHBondContact ND2-OD1 3.39Å |
| 27 | K | 98.1 | Very high | 97.1 | Very high | 55 Ų | 55 | 29.6 Ų | 29.6 | 24% | 0.239 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -29.5 | -177.8 | -171.5 | 165.2 | 173.2 | -159.1 | 0 | 113 | V19 V20 G22 Y23 V24 G25 | V19-K27 HydrophobicContact CG2-CD 4.23Å; V19-K27 WeakPolarHBondContact O-CD 3.46Å; V20-K27 PolarHBondContact O-NZ 3.28Å; G22-K27 WeakPolarHBondContact O-CD 3.43Å; G22-K27 WeakPolarHBondContact O-CE 3.21Å; G22-K27 PolarHBondContact O-NZ 2.74Å; Y23-K27 HydrophobicContact CD1-CG 4.09Å; V24-K27 WeakPolarHBondContact O-CB 3.42Å; V24-K27 PolarHBondContact O-N 3.28Å; G25-K27 PolarHBondContact O-N 2.98Å; G25-K27 VanDerWaalsContact O-N 3.08Å |
| 28 | I | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -98.3 | -25.8 | 174.1 | -168.4 | 161.1 | 0 | 0 | 0 | 113.1 | G25 N26 P32 D254 L255 L319 I321 | G25-I28 WeakPolarHBondContact O-CG2 3.32Å; G25-I28 PolarHBondContact O-N 3Å; G25-I28 VanDerWaalsContact O-N 3.1Å; N26-I28 VanDerWaalsContact C-N 3.27Å; N26-I28 PolarHBondContact O-N 3Å; I28-P32 WeakPolarHBondContact O-CD 3.23Å; I28-P32 WeakPolarHBondContact O-CG 3.32Å; I28-D254 HydrophobicContact CG2-CB 3.36Å; I28-L255 HydrophobicContact CD1-CB 3.79Å; I28-L255 HydrophobicContact CD1-CD1 4.49Å; I28-L255 HydrophobicContact CD1-CD2 4.24Å; I28-L255 HydrophobicContact CD1-CG 4.39Å; I28-L255 HydrophobicContact CG1-CB 3.94Å; I28-L255 HydrophobicContact CG1-CD1 4.11Å; I28-L255 HydrophobicContact CG1-CG 4.46Å; I28-L319 HydrophobicContact CD1-CB 4.19Å; I28-L319 HydrophobicContact CD1-CD1 3.31Å; I28-L319 HydrophobicContact CD1-CG 4.36Å; I28-I321 HydrophobicContact CB-CD1 4.47Å; I28-I321 HydrophobicContact CD1-CG2 3.76Å; I28-I321 HydrophobicContact CG1-CD1 4.08Å; I28-I321 HydrophobicContact CG1-CG2 4Å |
| 29 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.4 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G25 N26 L33 L86 A258 | G25-A29 WeakPolarHBondContact O-CB 2.97Å; G25-A29 PolarHBondContact O-N 2.64Å; N26-A29 PolarHBondContact O-N 3.17Å; A29-L33 WeakPolarHBondContact O-CD1 3.36Å; A29-L33 VanDerWaalsContact O-CG 3.24Å; A29-L33 WeakPolarHBondContact O-CG 3.34Å; A29-L86 HydrophobicContact CB-CD2 4.35Å; A29-A258 HydrophobicContact CB-CB 3.89Å |
| 30 | V | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.8 | -44.4 | -172.4 | 173 | 0 | 0 | 0 | 0 | 112 | N26 L33 Q34 V40 F42 | N26-V30 HydrophobicContact CB-CG2 4.12Å; N26-V30 WeakPolarHBondContact O-CB 3.36Å; N26-V30 WeakPolarHBondContact O-CG2 3.32Å; N26-V30 PolarHBondContact O-N 2.85Å; V30-L33 PolarHBondContact O-N 2.92Å; V30-Q34 HydrophobicContact CG1-CG 4.04Å; V30-Q34 WeakPolarHBondContact O-CG 3.22Å; V30-Q34 PolarHBondContact O-N 2.61Å; V30-V40 HydrophobicContact CG1-CB 4.45Å; V30-V40 HydrophobicContact CG1-CG1 4.39Å; V30-V40 HydrophobicContact CG2-CG1 4.01Å; V30-F42 HydrophobicContact CG1-CD1 4.08Å; V30-F42 HydrophobicContact CG1-CE1 4.06Å; V30-F42 HydrophobicContact CG2-CB 4.05Å; V30-F42 HydrophobicContact CG2-CD1 3.73Å; V30-F42 HydrophobicContact CG2-CE1 4.38Å; V30-F42 HydrophobicContact CG2-CG 3.91Å |
| 31 | F | 97.8 | Very high | 97.1 | Very high | 46 Ų | 46 | 30.5 Ų | 30.5 | 20% | 0.202 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | -174.5 | 171.9 | -101.6 | 0 | 0 | 0 | 113.4 | L33 Q34 V35 I321 I322 L325 I328 | F31-L33 VanDerWaalsContact C-N 3.34Å; F31-L33 PolarHBondContact O-N 2.81Å; F31-Q34 PolarHBondContact O-N 3.26Å; F31-V35 HydrophobicContact CD1-CG2 4.43Å; F31-V35 HydrophobicContact CD2-CG2 3.99Å; F31-V35 HydrophobicContact CE1-CG2 4.12Å; F31-V35 HydrophobicContact CE2-CG2 3.64Å; F31-V35 HydrophobicContact CG-CG2 4.39Å; F31-V35 HydrophobicContact CZ-CG2 3.73Å; F31-V35 WeakPolarHBondContact O-CB 3.37Å; F31-V35 VanDerWaalsContact O-CG2 3.23Å; F31-V35 WeakPolarHBondContact O-CG2 3.28Å; F31-V35 PolarHBondContact O-N 3.23Å; F31-I321 HydrophobicContact CB-CD1 4.29Å; F31-I321 HydrophobicContact CD1-CB 4.47Å; F31-I321 HydrophobicContact CD1-CD1 3.89Å; F31-I321 HydrophobicContact CD1-CG1 4.13Å; F31-I321 HydrophobicContact CE1-CG1 4.48Å; F31-I321 HydrophobicContact CG-CD1 4.39Å; F31-I322 HydrophobicContact CD1-CD1 4.22Å; F31-I322 HydrophobicContact CD2-CD1 4.01Å; F31-I322 HydrophobicContact CE1-CD1 3.9Å; F31-I322 HydrophobicContact CE2-CD1 3.67Å; F31-I322 HydrophobicContact CG-CD1 4.26Å; F31-I322 HydrophobicContact CZ-CD1 3.6Å; F31-L325 HydrophobicContact CE1-CD1 4.46Å; F31-L325 HydrophobicContact CE2-CD1 4.48Å; F31-L325 HydrophobicContact CZ-CD1 3.79Å; F31-I328 HydrophobicContact CD1-CD1 4.4Å; F31-I328 HydrophobicContact CE1-CD1 4.08Å |
| 32 | P | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 175.3 | -23.8 | 34 | 0 | 0 | 0 | 113.3 | I28 V35 L36 L255 L259 I328 | I28-P32 WeakPolarHBondContact O-CD 3.23Å; I28-P32 WeakPolarHBondContact O-CG 3.32Å; P32-V35 PolarHBondContact O-N 3.32Å; P32-L36 WeakPolarHBondContact O-CB 3.37Å; P32-L36 VanDerWaalsContact O-CG 3.22Å; P32-L36 WeakPolarHBondContact O-CG 3.24Å; P32-L36 PolarHBondContact O-N 3.04Å; P32-L255 HydrophobicContact CB-CD1 4.37Å; P32-L255 HydrophobicContact CG-CD1 3.59Å; P32-L259 HydrophobicContact CB-CD2 3.89Å; P32-I328 HydrophobicContact CB-CG2 4.03Å; P32-I328 HydrophobicContact CG-CD1 4.39Å |
| 33 | L | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -49.7 | 177.4 | -69.9 | 173.3 | 0 | 0 | 0 | 111.3 | A29 V30 F31 V35 L36 G37 I38 V40 L86 A258 L261 A262 | A29-L33 WeakPolarHBondContact O-CD1 3.36Å; A29-L33 VanDerWaalsContact O-CG 3.24Å; A29-L33 WeakPolarHBondContact O-CG 3.34Å; V30-L33 PolarHBondContact O-N 2.92Å; F31-L33 VanDerWaalsContact C-N 3.34Å; F31-L33 PolarHBondContact O-N 2.81Å; L33-V35 PolarHBondContact O-N 2.72Å; L33-L36 CarbonylContact O-C 3.53Å; L33-L36 PolarHBondContact O-N 3.19Å; L33-G37 PolarHBondContact O-N 3.31Å; L33-I38 HydrophobicContact CB-CB 4.3Å; L33-I38 HydrophobicContact CD2-CD1 3.78Å; L33-I38 WeakPolarHBondContact O-CB 3.28Å; L33-I38 PolarHBondContact O-N 2.87Å; L33-V40 HydrophobicContact CB-CG2 3.56Å; L33-V40 HydrophobicContact CD1-CG1 4.43Å; L33-V40 HydrophobicContact CD1-CG2 3.94Å; L33-V40 HydrophobicContact CG-CG2 4.39Å; L33-L86 HydrophobicContact CD1-CD2 4.45Å; L33-A258 HydrophobicContact CD1-CB 4.49Å; L33-A258 WeakPolarHBondContact CD2-O 3.25Å; L33-A258 HydrophobicContact CG-CB 4.23Å; L33-L261 HydrophobicContact CD2-CD2 4.1Å; L33-A262 HydrophobicContact CD2-CB 4.1Å |
| 34 | Q | 96.9 | Very high | 97.3 | Very high | 103 Ų | 103 | 31.1 Ų | 31.1 | 48% | 0.481 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 178.5 | -72.6 | 179.2 | -35.6 | 0 | 0 | 112.2 | V30 F31 L36 G37 V40 | V30-Q34 HydrophobicContact CG1-CG 4.04Å; V30-Q34 WeakPolarHBondContact O-CG 3.22Å; V30-Q34 PolarHBondContact O-N 2.61Å; F31-Q34 PolarHBondContact O-N 3.26Å; Q34-L36 PolarHBondContact O-N 3.32Å; Q34-G37 PolarHBondContact O-N 3.1Å; Q34-V40 HydrophobicContact CG-CG2 4.28Å |
| 35 | V | 95.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -31.5 | 177.1 | 162.5 | 0 | 0 | 0 | 0 | 112.2 | F31 P32 L33 G37 L325 I328 R329 | F31-V35 HydrophobicContact CD1-CG2 4.43Å; F31-V35 HydrophobicContact CD2-CG2 3.99Å; F31-V35 HydrophobicContact CE1-CG2 4.12Å; F31-V35 HydrophobicContact CE2-CG2 3.64Å; F31-V35 HydrophobicContact CG-CG2 4.39Å; F31-V35 HydrophobicContact CZ-CG2 3.73Å; F31-V35 WeakPolarHBondContact O-CB 3.37Å; F31-V35 VanDerWaalsContact O-CG2 3.23Å; F31-V35 WeakPolarHBondContact O-CG2 3.28Å; F31-V35 PolarHBondContact O-N 3.23Å; P32-V35 PolarHBondContact O-N 3.32Å; L33-V35 PolarHBondContact O-N 2.72Å; V35-G37 VanDerWaalsContact C-N 3.29Å; V35-L325 HydrophobicContact CB-CD1 4.09Å; V35-L325 HydrophobicContact CG1-CD1 3.47Å; V35-L325 VanDerWaalsContact CG1-CD1 3.47Å; V35-L325 HydrophobicContact CG2-CD1 3.37Å; V35-I328 HydrophobicContact CG1-CG2 4.01Å; V35-R329 HydrophobicContact CG1-CG 3.35Å |
| 36 | L | 95 | Very high | 97.1 | Very high | 36 Ų | 36 | 30.9 Ų | 30.9 | 19% | 0.188 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 6.5 | 176.2 | -67.7 | 171.1 | 0 | 0 | 0 | 113.3 | P32 L33 Q34 L259 A262 I328 | P32-L36 WeakPolarHBondContact O-CB 3.37Å; P32-L36 VanDerWaalsContact O-CG 3.22Å; P32-L36 WeakPolarHBondContact O-CG 3.24Å; P32-L36 PolarHBondContact O-N 3.04Å; L33-L36 CarbonylContact O-C 3.53Å; L33-L36 PolarHBondContact O-N 3.19Å; Q34-L36 PolarHBondContact O-N 3.32Å; L36-L259 HydrophobicContact CD1-CD2 4.08Å; L36-A262 HydrophobicContact CB-CB 4.47Å; L36-A262 HydrophobicContact CD1-CB 3.51Å; L36-I328 HydrophobicContact CD1-CG2 4.44Å; L36-I328 HydrophobicContact CG-CG2 4.34Å |
| 37 | G | 93.9 | Very high | 97.1 | Very high | 42 Ų | 42 | 35.3 Ų | 35.3 | 43% | 0.433 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 17.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L7 L33 Q34 V35 | L7-G37 WeakPolarHBondContact CD2-O 3.43Å; L33-G37 PolarHBondContact O-N 3.31Å; Q34-G37 PolarHBondContact O-N 3.1Å; V35-G37 VanDerWaalsContact C-N 3.29Å |
| 38 | I | 96.3 | Very high | 97 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | trans | -93.7 | 134.4 | 179.9 | -61.6 | 171.8 | 0 | 0 | 0 | 109.5 | L10 V12 L33 V40 L261 A262 | L10-I38 HydrophobicContact CB-CG1 4.26Å; L10-I38 HydrophobicContact CB-CG2 3.98Å; L10-I38 HydrophobicContact CD1-CD1 4.11Å; L10-I38 HydrophobicContact CD1-CG1 4.07Å; V12-I38 HydrophobicContact CB-CG2 4.41Å; V12-I38 HydrophobicContact CG2-CG2 3.42Å; V12-I38 VanDerWaalsContact CG2-CG2 3.42Å; L33-I38 HydrophobicContact CB-CB 4.3Å; L33-I38 HydrophobicContact CD2-CD1 3.78Å; L33-I38 WeakPolarHBondContact O-CB 3.28Å; L33-I38 PolarHBondContact O-N 2.87Å; I38-V40 HydrophobicContact CG2-CG2 4.18Å; I38-L261 HydrophobicContact CD1-CD2 4.42Å; I38-A262 HydrophobicContact CD1-CB 3.57Å | ||
| 39 | E | 97.2 | Very high | 97 | Very high | 114 Ų | 114 | 36.2 Ų | 36.2 | 53% | 0.533 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 128.9 | 174.2 | -172.5 | 66.6 | -168.3 | 0 | 0 | 109.4 | L10 K11 V12 | L10-E39 PolarHBondContact O-N 3.44Å; K11-E39 CarbonylContact C-O 3.5Å; K11-E39 WeakPolarHBondContact CA-O 3.48Å; K11-E39 HydrophobicContact CB-CB 4.45Å; K11-E39 HydrophobicContact CG-CB 4.12Å; K11-E39 HydrophobicContact CG-CG 3.95Å; V12-E39 PolarHBondContact N-O 2.83Å |
| 40 | V | 98.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 116.8 | -173.4 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | V12 C14 V30 L33 Q34 I38 F42 | V12-V40 WeakPolarHBondContact O-CA 3.1Å; C14-V40 HydrophobicContact CB-CG1 4.28Å; C14-V40 VanDerWaalsContact SG-CG1 3.57Å; V30-V40 HydrophobicContact CG1-CB 4.45Å; V30-V40 HydrophobicContact CG1-CG1 4.39Å; V30-V40 HydrophobicContact CG2-CG1 4.01Å; L33-V40 HydrophobicContact CB-CG2 3.56Å; L33-V40 HydrophobicContact CD1-CG1 4.43Å; L33-V40 HydrophobicContact CD1-CG2 3.94Å; L33-V40 HydrophobicContact CG-CG2 4.39Å; Q34-V40 HydrophobicContact CG-CG2 4.28Å; I38-V40 HydrophobicContact CG2-CG2 4.18Å; V40-F42 HydrophobicContact CG1-CD1 4.42Å |
| 41 | D | 98.6 | Very high | 96.7 | Very high | 43 Ų | 43 | 37.2 Ų | 37.2 | 23% | 0.23 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 147.5 | 159.8 | -67.6 | -27.9 | 0 | 0 | 0 | 108.2 | K11 V12 L13 C14 Y82 | K11-D41 WeakPolarHBondContact CE-OD2 3.43Å; K11-D41 IonicContact NZ-OD2 3.85Å; K11-D41 PolarHBondContact NZ-OD2 2.87Å; V12-D41 PolarHBondContact O-N 3.29Å; L13-D41 CarbonylContact C-O 3.52Å; L13-D41 WeakPolarHBondContact CA-O 3.18Å; L13-D41 HydrophobicContact CD1-CB 4.15Å; C14-D41 PolarHBondContact N-O 2.89Å; D41-Y82 HydrophobicContact CB-CE1 3.82Å; D41-Y82 WeakPolarHBondContact CB-OH 3.42Å; D41-Y82 WeakPolarHBondContact OD2-CE1 3.39Å; D41-Y82 VanDerWaalsContact OD2-CZ 3.29Å; D41-Y82 PolarHBondContact OD2-OH 3.34Å |
| 42 | F | 98.3 | Very high | 96.3 | Very high | 101 Ų | 101 | 40 Ų | 40 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 136.9 | -177.5 | 52.1 | -89.1 | 0 | 0 | 0 | 113.5 | C14 V30 V40 | C14-F42 HydrophobicContact CB-CB 4.03Å; C14-F42 CarbonylContact O-C 3.54Å; C14-F42 WeakPolarHBondContact O-CA 3.23Å; V30-F42 HydrophobicContact CG1-CD1 4.08Å; V30-F42 HydrophobicContact CG1-CE1 4.06Å; V30-F42 HydrophobicContact CG2-CB 4.05Å; V30-F42 HydrophobicContact CG2-CD1 3.73Å; V30-F42 HydrophobicContact CG2-CE1 4.38Å; V30-F42 HydrophobicContact CG2-CG 3.91Å; V40-F42 HydrophobicContact CG1-CD1 4.42Å |
| 43 | I | 98.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.7 | 172.3 | -62.2 | 172.3 | 0 | 0 | 0 | 107.7 | L13 C14 I15 Q16 N26 S45 L62 M67 L70 | L13-I43 HydrophobicContact CD1-CD1 4.27Å; L13-I43 HydrophobicContact CD1-CG1 4.26Å; C14-I43 PolarHBondContact O-N 3.27Å; I15-I43 WeakPolarHBondContact CA-O 3.39Å; I15-I43 HydrophobicContact CD1-CD1 4.34Å; I15-I43 HydrophobicContact CG1-CB 4.27Å; I15-I43 HydrophobicContact CG1-CD1 4.38Å; I15-I43 HydrophobicContact CG2-CB 4.25Å; I15-I43 HydrophobicContact CG2-CG2 4.35Å; Q16-I43 PolarHBondContact N-O 3.35Å; N26-I43 PolarHBondContact ND2-O 3.3Å; I43-S45 PolarHBondContact O-N 3.46Å; I43-L62 HydrophobicContact CG2-CD2 3.57Å; I43-M67 HydrophobicContact CG2-CG 4.26Å; I43-L70 HydrophobicContact CG1-CD1 4.48Å; I43-L70 HydrophobicContact CG2-CD1 3.95Å |
| 44 | N | 97.7 | Very high | 95.7 | Very high | 42 Ų | 42 | 43 Ų | 43 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 107.7 | 178 | -63.7 | -28.8 | 0 | 0 | 0 | 109.5 | Q16 H18 N26 V46 L62 | Q16-N44 CarbonylContact O-C 3.58Å; Q16-N44 WeakPolarHBondContact O-CA 3.11Å; H18-N44 HydrophobicContact CB-CB 3.78Å; H18-N44 WeakPolarHBondContact CB-OD1 3.47Å; N26-N44 PolarHBondContact ND2-OD1 3.39Å; N44-V46 PolarHBondContact O-N 3.1Å; N44-L62 WeakPolarHBondContact O-CD2 3.45Å |
| 45 | S | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | -27.3 | 178.7 | 67 | 0 | 0 | 0 | 0 | 112.7 | Q16 S17 I43 L62 Y89 | Q16-S45 PolarHBondContact O-N 3.16Å; Q16-S45 PolarHBondContact O-OG 3.34Å; S17-S45 PolarHBondContact N-OG 2.84Å; I43-S45 PolarHBondContact O-N 3.46Å; S45-L62 WeakPolarHBondContact O-CB 3.2Å; S45-L62 PolarHBondContact O-N 3.46Å; S45-Y89 PolarHBondContact OG-O 2.96Å |
| 46 | V | 94.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 155.1 | 170.1 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | S17 H18 N44 F48 Q60 V61 A91 | S17-V46 VanDerWaalsContact CB-CG2 3.43Å; H18-V46 WeakPolarHBondContact CB-O 3.39Å; H18-V46 PolarHBondContact N-O 2.84Å; N44-V46 PolarHBondContact O-N 3.1Å; V46-F48 HydrophobicContact CB-CD1 4.29Å; V46-F48 HydrophobicContact CB-CD2 4.3Å; V46-F48 HydrophobicContact CB-CE1 4.01Å; V46-F48 HydrophobicContact CB-CE2 4.02Å; V46-F48 HydrophobicContact CB-CG 4.43Å; V46-F48 HydrophobicContact CB-CZ 3.87Å; V46-F48 HydrophobicContact CG1-CE1 4.37Å; V46-F48 HydrophobicContact CG1-CE2 4.17Å; V46-F48 HydrophobicContact CG1-CZ 3.88Å; V46-F48 HydrophobicContact CG2-CD2 3.9Å; V46-F48 HydrophobicContact CG2-CE2 3.88Å; V46-F48 HydrophobicContact CG2-CG 4.3Å; V46-F48 HydrophobicContact CG2-CZ 4.27Å; V46-Q60 CarbonylContact C-O 3.49Å; V46-Q60 VanDerWaalsContact CA-O 3.29Å; V46-Q60 WeakPolarHBondContact CA-O 3.49Å; V46-V61 HydrophobicContact CG1-CB 4.29Å; V46-V61 HydrophobicContact CG1-CG1 4.14Å; V46-V61 HydrophobicContact CG1-CG2 3.96Å; V46-A91 HydrophobicContact CG1-CB 3.92Å |
| 47 | Q | 97.1 | Very high | 95.3 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 99.3 | 167.6 | 177.6 | 171.3 | -6.8 | 0 | 0 | 108.1 | H18 G59 Q60 | H18-Q47 WeakPolarHBondContact O-CA 3.5Å; Q47-G59 CarbonylContact O-C 3.46Å; Q47-G59 WeakPolarHBondContact O-CA 3.46Å; Q47-Q60 PolarHBondContact N-O 2.97Å; Q47-Q60 PolarHBondContact O-N 2.96Å; Q47-Q60 PolarHBondContact O-OE1 3.16Å |
| 48 | F | 97.1 | Very high | 95.4 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 162.4 | -179.8 | -66.4 | -23.3 | 0 | 0 | 0 | 112.6 | H18 V19 V20 V46 N50 V57 K58 V61 | H18-F48 PolarHBondContact O-N 2.99Å; V19-F48 CarbonylContact C-O 3.52Å; V19-F48 VanDerWaalsContact CA-O 3.28Å; V19-F48 WeakPolarHBondContact CA-O 3.18Å; V19-F48 HydrophobicContact CG1-CB 4.45Å; V20-F48 PolarHBondContact N-O 2.95Å; V46-F48 HydrophobicContact CB-CD1 4.29Å; V46-F48 HydrophobicContact CB-CD2 4.3Å; V46-F48 HydrophobicContact CB-CE1 4.01Å; V46-F48 HydrophobicContact CB-CE2 4.02Å; V46-F48 HydrophobicContact CB-CG 4.43Å; V46-F48 HydrophobicContact CB-CZ 3.87Å; V46-F48 HydrophobicContact CG1-CE1 4.37Å; V46-F48 HydrophobicContact CG1-CE2 4.17Å; V46-F48 HydrophobicContact CG1-CZ 3.88Å; V46-F48 HydrophobicContact CG2-CD2 3.9Å; V46-F48 HydrophobicContact CG2-CE2 3.88Å; V46-F48 HydrophobicContact CG2-CG 4.3Å; V46-F48 HydrophobicContact CG2-CZ 4.27Å; F48-N50 VanDerWaalsContact C-N 3.3Å; F48-N50 PolarHBondContact O-N 3.02Å; F48-V57 HydrophobicContact CB-CG1 3.93Å; F48-V57 HydrophobicContact CD2-CG1 3.91Å; F48-V57 HydrophobicContact CG-CG1 3.9Å; F48-K58 CarbonylContact C-O 3.59Å; F48-K58 WeakPolarHBondContact CA-O 3.4Å; F48-V61 HydrophobicContact CE1-CG2 4.12Å; F48-V61 HydrophobicContact CZ-CG2 4Å |
| 49 | S | 97.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 60.7 Ų | 60.7 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -61.2 | -39.9 | 173.7 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | V20 H21 K58 | V20-S49 PolarHBondContact N-O 2.94Å; H21-S49 WeakPolarHBondContact CB-O 3.35Å; H21-S49 PolarHBondContact N-O 3.28Å; S49-K58 PolarHBondContact N-O 3.41Å; S49-K58 PolarHBondContact OG-N 3.47Å; S49-K58 PolarHBondContact OG-O 3.4Å |
| 50 | N | 96.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 61 Ų | 61 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -165 | 172.1 | -175 | 43.9 | -92.4 | 0 | 0 | 0 | 108.9 | H21 F48 Y54 F56 | H21-N50 HydrophobicContact CB-CB 4.38Å; F48-N50 VanDerWaalsContact C-N 3.3Å; F48-N50 PolarHBondContact O-N 3.02Å; N50-Y54 HydrophobicContact CB-CD2 3.75Å; N50-Y54 HydrophobicContact CB-CE2 3.85Å; N50-Y54 HydrophobicContact CB-CG 4.2Å; N50-Y54 WeakPolarHBondContact ND2-CB 3.42Å; N50-F56 PolarHBondContact ND2-O 3.3Å; N50-F56 PolarHBondContact OD1-O 2.67Å |
| 51 | H | 93.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 6% | 0.06 | 34% | 0.341 | C | S | . | . | trans | -69.5 | 167.3 | 177.8 | 68.6 | 55.4 | 0 | 0 | 0 | 112.2 | V24 G53 Y54 I250 E318 | V24-H51 HydrophobicContact CG1-CB 3.85Å; V24-H51 HydrophobicContact CG2-CB 3.95Å; H51-G53 VanDerWaalsContact C-N 3.29Å; H51-G53 WeakPolarHBondContact ND1-CA 3.43Å; H51-G53 PolarHBondContact ND1-N 3.07Å; H51-G53 PolarHBondContact O-N 3.18Å; H51-Y54 AromaticContact CD2-CE2 3.79Å; H51-Y54 AromaticContact CE1-CD2 3.36Å; H51-Y54 WeakPolarHBondContact CE1-CD2 3.28Å; H51-Y54 AromaticContact CE1-CE2 3.32Å; H51-Y54 WeakPolarHBondContact CE1-CE2 3.5Å; H51-Y54 AromaticContact CG-CE2 3.98Å; H51-Y54 AromaticContact ND1-CD2 3.43Å; H51-Y54 WeakPolarHBondContact ND1-CD2 3.46Å; H51-Y54 AromaticContact ND1-CE2 3.7Å; H51-Y54 AromaticContact NE2-CD2 3.91Å; H51-Y54 AromaticContact NE2-CE2 3.38Å; H51-Y54 WeakPolarHBondContact NE2-CE2 3.33Å; H51-Y54 WeakPolarHBondContact O-CD2 3.42Å; H51-Y54 PolarHBondContact O-N 2.62Å; H51-I250 HydrophobicContact CB-CG2 4.22Å; H51-I250 VanDerWaalsContact CE1-CD1 3.41Å; H51-I250 WeakPolarHBondContact CE1-CD1 3.49Å; H51-E318 IonicContact CD2-OE1 3.77Å; H51-E318 PolarHBondContact CD2-OE1 3.13Å; H51-E318 IonicContact NE2-OE1 3.2Å; H51-E318 PolarHBondContact NE2-OE1 3.33Å | ||
| 52 | T | 89.8 | Confident | 94.9 | Very high | 104 Ų | 104 | 64 Ų | 64 | 64% | 0.638 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.1 | -174.5 | 51.3 | 0 | 0 | 0 | 0 | 115.6 | Y54 | T52-Y54 PolarHBondContact O-N 3.31Š|
| 53 | G | 88.6 | Confident | 94.7 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 32% | 0.32 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 8.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | H51 S314 | H51-G53 VanDerWaalsContact C-N 3.29Å; H51-G53 WeakPolarHBondContact ND1-CA 3.43Å; H51-G53 PolarHBondContact ND1-N 3.07Å; H51-G53 PolarHBondContact O-N 3.18Å; G53-S314 PolarHBondContact O-OG 3.47Å |
| 54 | Y | 92.8 | Very high | 94.6 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -103.3 | 155.6 | 169.4 | -73.5 | -103.8 | 0 | 0 | 0 | 110.3 | H21 N50 H51 T52 F56 A315 E318 | H21-Y54 AromaticContact CD2-CZ 3.88Å; H21-Y54 PolarHBondContact CD2-OH 3.35Å; H21-Y54 PolarHBondContact NE2-OH 3.34Å; N50-Y54 HydrophobicContact CB-CD2 3.75Å; N50-Y54 HydrophobicContact CB-CE2 3.85Å; N50-Y54 HydrophobicContact CB-CG 4.2Å; N50-Y54 WeakPolarHBondContact ND2-CB 3.42Å; H51-Y54 AromaticContact CD2-CE2 3.79Å; H51-Y54 AromaticContact CE1-CD2 3.36Å; H51-Y54 WeakPolarHBondContact CE1-CD2 3.28Å; H51-Y54 AromaticContact CE1-CE2 3.32Å; H51-Y54 WeakPolarHBondContact CE1-CE2 3.5Å; H51-Y54 AromaticContact CG-CE2 3.98Å; H51-Y54 AromaticContact ND1-CD2 3.43Å; H51-Y54 WeakPolarHBondContact ND1-CD2 3.46Å; H51-Y54 AromaticContact ND1-CE2 3.7Å; H51-Y54 AromaticContact NE2-CD2 3.91Å; H51-Y54 AromaticContact NE2-CE2 3.38Å; H51-Y54 WeakPolarHBondContact NE2-CE2 3.33Å; H51-Y54 WeakPolarHBondContact O-CD2 3.42Å; H51-Y54 PolarHBondContact O-N 2.62Å; T52-Y54 PolarHBondContact O-N 3.31Å; Y54-F56 VanDerWaalsContact C-N 3.25Å; Y54-F56 PolarHBondContact O-N 2.96Å; Y54-A315 HydrophobicContact CE1-CB 3.97Å; Y54-A315 WeakPolarHBondContact OH-CA 3.34Å; Y54-A315 PolarHBondContact OH-N 2.93Å; Y54-E318 WeakPolarHBondContact CE2-OE1 3.23Å; Y54-E318 WeakPolarHBondContact OH-CG 3.28Å; Y54-E318 PolarHBondContact OH-OE1 3.42Å |
| 55 | D | 92 | Very high | 94.6 | Very high | 150 Ų | 150 | 64 Ų | 64 | 80% | 0.802 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -62.3 | -30.8 | -179.9 | -56.6 | -34.3 | 0 | 0 | 0 | 113.5 | ||
| 56 | F | 93.7 | Very high | 94.6 | Very high | 172 Ų | 172 | 66 Ų | 66 | 75% | 0.754 | 37% | 0.369 | S | S | * | . | trans | -127 | 129 | -179.3 | -57.9 | -77.6 | 0 | 0 | 0 | 111.1 | N50 Y54 | N50-F56 PolarHBondContact ND2-O 3.3Å; N50-F56 PolarHBondContact OD1-O 2.67Å; Y54-F56 VanDerWaalsContact C-N 3.25Å; Y54-F56 PolarHBondContact O-N 2.96Å | ||
| 57 | V | 93.9 | Very high | 94.8 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | trans | -133.7 | 132.3 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | F48 | F48-V57 HydrophobicContact CB-CG1 3.93Å; F48-V57 HydrophobicContact CD2-CG1 3.91Å; F48-V57 HydrophobicContact CG-CG1 3.9Å | ||
| 58 | K | 96.4 | Very high | 94.8 | Very high | 171 Ų | 171 | 65 Ų | 65 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | trans | -137.1 | 152.5 | 172.8 | -67.3 | -66.5 | -177.6 | -179 | 0 | 109.7 | F48 S49 | F48-K58 CarbonylContact C-O 3.59Å; F48-K58 WeakPolarHBondContact CA-O 3.4Å; S49-K58 PolarHBondContact N-O 3.41Å; S49-K58 PolarHBondContact OG-N 3.47Å; S49-K58 PolarHBondContact OG-O 3.4Å | ||
| 59 | G | 95.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.7 | -161.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q47 | Q47-G59 CarbonylContact O-C 3.46Å; Q47-G59 WeakPolarHBondContact O-CA 3.46Å |
| 60 | Q | 94.6 | Very high | 94.9 | Very high | 121 Ų | 121 | 70.8 Ų | 70.8 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 147.3 | -170.9 | -57.6 | 86.5 | -8.4 | 0 | 0 | 111.4 | V46 Q47 | V46-Q60 CarbonylContact C-O 3.49Å; V46-Q60 VanDerWaalsContact CA-O 3.29Å; V46-Q60 WeakPolarHBondContact CA-O 3.49Å; Q47-Q60 PolarHBondContact N-O 2.97Å; Q47-Q60 PolarHBondContact O-N 2.96Å; Q47-Q60 PolarHBondContact O-OE1 3.16Å |
| 61 | V | 93.7 | Very high | 95 | Very high | 74 Ų | 74 | 70.3 Ų | 70.3 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.8 | 166.9 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | V46 F48 D63 A91 | V46-V61 HydrophobicContact CG1-CB 4.29Å; V46-V61 HydrophobicContact CG1-CG1 4.14Å; V46-V61 HydrophobicContact CG1-CG2 3.96Å; F48-V61 HydrophobicContact CE1-CG2 4.12Å; F48-V61 HydrophobicContact CZ-CG2 4Å; V61-D63 PolarHBondContact O-N 2.82Å; V61-A91 HydrophobicContact CG1-CB 4.14Å |
| 62 | L | 95.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 74.3 Ų | 74.3 | 20% | 0.199 | 41% | 0.41 | C | S | . | . | trans | -76.6 | 113.9 | 174.7 | -173 | 70.8 | 0 | 0 | 0 | 108.6 | I43 N44 S45 M67 L70 S95 | I43-L62 HydrophobicContact CG2-CD2 3.57Å; N44-L62 WeakPolarHBondContact O-CD2 3.45Å; S45-L62 WeakPolarHBondContact O-CB 3.2Å; S45-L62 PolarHBondContact O-N 3.46Å; L62-M67 HydrophobicContact CD2-CB 3.85Å; L62-M67 HydrophobicContact CD2-CE 4.22Å; L62-M67 HydrophobicContact CD2-CG 4.31Å; L62-M67 HydrophobicContact CG-CB 4.26Å; L62-L70 HydrophobicContact CD2-CD1 3.97Å; L62-S95 PolarHBondContact O-OG 2.89Å | ||
| 63 | D | 94.5 | Very high | 95.6 | Very high | 78 Ų | 78 | 70.9 Ų | 70.9 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | trans | -69.2 | 161.2 | 176.6 | 72 | 84.6 | 0 | 0 | 0 | 111.6 | V61 A65 S66 M67 | V61-D63 PolarHBondContact O-N 2.82Å; D63-A65 VanDerWaalsContact C-N 3.3Å; D63-A65 PolarHBondContact O-N 3.14Å; D63-A65 WeakPolarHBondContact OD1-CA 3.19Å; D63-A65 WeakPolarHBondContact OD1-CB 3.47Å; D63-A65 PolarHBondContact OD1-N 3.39Å; D63-S66 PolarHBondContact O-N 2.99Å; D63-S66 PolarHBondContact OD1-N 3.04Å; D63-S66 PolarHBondContact OD1-OG 2.84Å; D63-S66 WeakPolarHBondContact OD2-CB 3.44Å; D63-S66 PolarHBondContact OD2-OG 2.92Å; D63-M67 PolarHBondContact O-N 2.91Å | ||
| 64 | A | 95.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 71.2 Ų | 71.2 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62 | -33.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K68 S94 A98 | A64-K68 VanDerWaalsContact O-CG 3.31Å; A64-K68 WeakPolarHBondContact O-CG 3.42Å; A64-K68 PolarHBondContact O-N 3.38Å; A64-K68 VanDerWaalsContact O-N 3.09Å; A64-S94 WeakPolarHBondContact CB-O 3.36Å; A64-A98 HydrophobicContact CB-CB 4.14Å |
| 65 | A | 96.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 73 Ų | 73 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.1 | -47.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | D63 M67 K68 D69 | D63-A65 VanDerWaalsContact C-N 3.3Å; D63-A65 PolarHBondContact O-N 3.14Å; D63-A65 WeakPolarHBondContact OD1-CA 3.19Å; D63-A65 WeakPolarHBondContact OD1-CB 3.47Å; D63-A65 PolarHBondContact OD1-N 3.39Å; A65-M67 VanDerWaalsContact C-N 3.31Å; A65-M67 PolarHBondContact O-N 3.3Å; A65-K68 CarbonylContact O-C 3.54Å; A65-K68 WeakPolarHBondContact O-CB 3.29Å; A65-K68 PolarHBondContact O-N 2.9Å; A65-K68 VanDerWaalsContact O-N 3.08Å; A65-D69 PolarHBondContact O-N 2.53Å |
| 66 | S | 96.8 | Very high | 96.6 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 175.2 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | D63 D69 L70 | D63-S66 PolarHBondContact O-N 2.99Å; D63-S66 PolarHBondContact OD1-N 3.04Å; D63-S66 PolarHBondContact OD1-OG 2.84Å; D63-S66 WeakPolarHBondContact OD2-CB 3.44Å; D63-S66 PolarHBondContact OD2-OG 2.92Å; S66-D69 PolarHBondContact O-N 3.14Å; S66-L70 WeakPolarHBondContact O-CG 3.4Å; S66-L70 PolarHBondContact O-N 3.14Å; S66-L70 VanDerWaalsContact O-N 3.08Å |
| 67 | M | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 174 | -177.1 | 179.6 | -69.5 | 0 | 0 | 111.9 | I15 I43 L62 D63 A65 L70 Y71 L90 A98 V99 I102 | I15-M67 HydrophobicContact CG2-CE 3.89Å; I15-M67 HydrophobicContact CG2-SD 4.19Å; I43-M67 HydrophobicContact CG2-CG 4.26Å; L62-M67 HydrophobicContact CD2-CB 3.85Å; L62-M67 HydrophobicContact CD2-CE 4.22Å; L62-M67 HydrophobicContact CD2-CG 4.31Å; L62-M67 HydrophobicContact CG-CB 4.26Å; D63-M67 PolarHBondContact O-N 2.91Å; A65-M67 VanDerWaalsContact C-N 3.31Å; A65-M67 PolarHBondContact O-N 3.3Å; M67-L70 PolarHBondContact O-N 3.17Å; M67-Y71 PolarHBondContact O-N 3.45Å; M67-L90 HydrophobicContact CE-CD2 4.14Å; M67-A98 HydrophobicContact SD-CB 4.03Å; M67-V99 HydrophobicContact SD-CG2 3.8Å; M67-I102 HydrophobicContact CG-CD1 3.94Å; M67-I102 HydrophobicContact SD-CD1 4.3Å |
| 68 | K | 97.6 | Very high | 97 | Very high | 78 Ų | 78 | 67.7 Ų | 67.7 | 34% | 0.339 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 175.6 | -74 | 176.9 | 177.2 | -171.2 | 0 | 111.5 | A64 A65 L70 Y71 L72 A98 D101 | A64-K68 VanDerWaalsContact O-CG 3.31Å; A64-K68 WeakPolarHBondContact O-CG 3.42Å; A64-K68 PolarHBondContact O-N 3.38Å; A64-K68 VanDerWaalsContact O-N 3.09Å; A65-K68 CarbonylContact O-C 3.54Å; A65-K68 WeakPolarHBondContact O-CB 3.29Å; A65-K68 PolarHBondContact O-N 2.9Å; A65-K68 VanDerWaalsContact O-N 3.08Å; K68-L70 PolarHBondContact O-N 3.16Å; K68-Y71 WeakPolarHBondContact O-CB 3.36Å; K68-Y71 PolarHBondContact O-N 3.45Å; K68-L72 WeakPolarHBondContact O-CB 3.4Å; K68-L72 VanDerWaalsContact O-CG 3.28Å; K68-L72 WeakPolarHBondContact O-CG 3.4Å; K68-L72 PolarHBondContact O-N 3.23Å; K68-A98 HydrophobicContact CD-CB 4.47Å; K68-A98 HydrophobicContact CG-CB 4.13Å; K68-D101 WeakPolarHBondContact CE-OD2 3.19Å; K68-D101 IonicContact NZ-OD2 2.58Å; K68-D101 PolarHBondContact NZ-OD2 3.21Å |
| 69 | D | 98.2 | Very high | 97.1 | Very high | 105 Ų | 105 | 63.8 Ų | 63.8 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 177.6 | -74.8 | -13.8 | 0 | 0 | 0 | 112.1 | A65 S66 Y71 L72 G73 | A65-D69 PolarHBondContact O-N 2.53Å; S66-D69 PolarHBondContact O-N 3.14Å; D69-Y71 VanDerWaalsContact C-N 3.33Å; D69-Y71 PolarHBondContact O-N 2.91Å; D69-L72 PolarHBondContact O-N 3.28Å; D69-G73 PolarHBondContact O-N 3.18Å |
| 70 | L | 98.5 | Very high | 97.2 | Very high | 89 Ų | 89 | 61.8 Ų | 61.8 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 172.5 | -68.7 | 175.2 | 0 | 0 | 0 | 111.2 | I43 L62 S66 M67 K68 G73 L74 | I43-L70 HydrophobicContact CG1-CD1 4.48Å; I43-L70 HydrophobicContact CG2-CD1 3.95Å; L62-L70 HydrophobicContact CD2-CD1 3.97Å; S66-L70 WeakPolarHBondContact O-CG 3.4Å; S66-L70 PolarHBondContact O-N 3.14Å; S66-L70 VanDerWaalsContact O-N 3.08Å; M67-L70 PolarHBondContact O-N 3.17Å; K68-L70 PolarHBondContact O-N 3.16Å; L70-G73 PolarHBondContact O-N 3.48Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 3.48Å |
| 71 | Y | 98.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 178.4 | 178.2 | -109.5 | 0 | 0 | 0 | 112.7 | M67 K68 D69 G73 L74 K75 N80 I102 D105 L106 | M67-Y71 PolarHBondContact O-N 3.45Å; K68-Y71 WeakPolarHBondContact O-CB 3.36Å; K68-Y71 PolarHBondContact O-N 3.45Å; D69-Y71 VanDerWaalsContact C-N 3.33Å; D69-Y71 PolarHBondContact O-N 2.91Å; Y71-G73 VanDerWaalsContact C-N 3.3Å; Y71-G73 PolarHBondContact O-N 3.08Å; Y71-L74 WeakPolarHBondContact O-CB 3.35Å; Y71-L74 PolarHBondContact O-N 3.35Å; Y71-K75 HydrophobicContact CE1-CD 4.36Å; Y71-K75 PolarHBondContact O-N 2.86Å; Y71-N80 HydrophobicContact CE2-CB 4.09Å; Y71-I102 HydrophobicContact CD1-CG1 3.9Å; Y71-I102 HydrophobicContact CD2-CG1 4.32Å; Y71-I102 HydrophobicContact CD2-CG2 3.71Å; Y71-I102 HydrophobicContact CE2-CG2 3.88Å; Y71-I102 HydrophobicContact CG-CB 4.47Å; Y71-I102 HydrophobicContact CG-CD1 4.24Å; Y71-I102 HydrophobicContact CG-CG1 3.78Å; Y71-I102 HydrophobicContact CG-CG2 4.05Å; Y71-D105 HydrophobicContact CE1-CB 4.18Å; Y71-D105 VanDerWaalsContact CE1-OD2 3.28Å; Y71-D105 WeakPolarHBondContact CE1-OD2 3.45Å; Y71-D105 VanDerWaalsContact CZ-OD2 3.3Å; Y71-D105 PolarHBondContact OH-OD2 3.46Å; Y71-L106 HydrophobicContact CE2-CD1 4.29Å; Y71-L106 HydrophobicContact CE2-CD2 3.79Å; Y71-L106 HydrophobicContact CE2-CG 3.88Å; Y71-L106 WeakPolarHBondContact OH-CD2 3.44Å |
| 72 | L | 98.3 | Very high | 97.5 | Very high | 97 Ų | 97 | 58.3 Ų | 58.3 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 176.2 | -71.3 | 174.3 | 0 | 0 | 0 | 111.4 | K68 D69 K75 A76 | K68-L72 WeakPolarHBondContact O-CB 3.4Å; K68-L72 VanDerWaalsContact O-CG 3.28Å; K68-L72 WeakPolarHBondContact O-CG 3.4Å; K68-L72 PolarHBondContact O-N 3.23Å; D69-L72 PolarHBondContact O-N 3.28Å; L72-K75 PolarHBondContact O-N 2.83Å; L72-A76 WeakPolarHBondContact O-CB 3.38Å; L72-A76 PolarHBondContact O-N 3.36Å |
| 73 | G | 98.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | D69 L70 Y71 N77 | D69-G73 PolarHBondContact O-N 3.18Å; L70-G73 PolarHBondContact O-N 3.48Å; Y71-G73 VanDerWaalsContact C-N 3.3Å; Y71-G73 PolarHBondContact O-N 3.08Å; G73-N77 PolarHBondContact O-N 2.6Å; G73-N77 PolarHBondContact O-ND2 3.33Å |
| 74 | L | 98.5 | Very high | 97.8 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 173.3 | -67.3 | 169.2 | 0 | 0 | 0 | 111.2 | L70 Y71 N77 G78 L79 | L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 3.48Å; Y71-L74 WeakPolarHBondContact O-CB 3.35Å; Y71-L74 PolarHBondContact O-N 3.35Å; L74-N77 PolarHBondContact O-N 2.8Å; L74-G78 PolarHBondContact O-N 2.72Å; L74-L79 HydrophobicContact CB-CB 4.41Å; L74-L79 HydrophobicContact CD2-CB 4.04Å; L74-L79 HydrophobicContact CD2-CD1 4.37Å; L74-L79 PolarHBondContact O-N 2.83Å |
| 75 | K | 98.1 | Very high | 97.9 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | -179.4 | -172.1 | 168.3 | -173.5 | 169 | 0 | 112.4 | Y71 L72 N77 G78 N80 D105 | Y71-K75 HydrophobicContact CE1-CD 4.36Å; Y71-K75 PolarHBondContact O-N 2.86Å; L72-K75 PolarHBondContact O-N 2.83Å; K75-N77 PolarHBondContact O-N 2.87Å; K75-G78 PolarHBondContact O-N 3.16Å; K75-N80 HydrophobicContact CB-CB 4.4Å; K75-D105 IonicContact NZ-OD1 3.36Å; K75-D105 PolarHBondContact NZ-OD1 2.78Å; K75-D105 IonicContact NZ-OD2 3.32Å; K75-D105 PolarHBondContact NZ-OD2 2.99Å |
| 76 | A | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 51.6 Ų | 51.6 | 74% | 0.736 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.9 | -30.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L72 | L72-A76 WeakPolarHBondContact O-CB 3.38Å; L72-A76 PolarHBondContact O-N 3.36Å |
| 77 | N | 98.4 | Very high | 98.1 | Very high | 120 Ų | 120 | 49.6 Ų | 49.6 | 64% | 0.642 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 2.6 | 175.4 | -70.7 | -71.7 | 0 | 0 | 0 | 113.6 | G73 L74 K75 L79 | G73-N77 PolarHBondContact O-N 2.6Å; G73-N77 PolarHBondContact O-ND2 3.33Å; L74-N77 PolarHBondContact O-N 2.8Å; K75-N77 PolarHBondContact O-N 2.87Å; N77-L79 HydrophobicContact CB-CD1 3.82Å; N77-L79 HydrophobicContact CB-CG 3.79Å; N77-L79 PolarHBondContact O-N 2.63Å |
| 78 | G | 97.1 | Very high | 98.1 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 46% | 0.464 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 19.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L74 K75 | L74-G78 PolarHBondContact O-N 2.72Å; K75-G78 PolarHBondContact O-N 3.16Å |
| 79 | L | 97.6 | Very high | 97.9 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 47% | 0.466 | 28% | 0.277 | S | S | . | . | trans | -89.4 | -4.2 | -176.2 | -60 | 176.6 | 0 | 0 | 0 | 113.6 | K11 L74 N77 K81 | K11-L79 PolarHBondContact NZ-O 3.41Å; L74-L79 HydrophobicContact CB-CB 4.41Å; L74-L79 HydrophobicContact CD2-CB 4.04Å; L74-L79 HydrophobicContact CD2-CD1 4.37Å; L74-L79 PolarHBondContact O-N 2.83Å; N77-L79 HydrophobicContact CB-CD1 3.82Å; N77-L79 HydrophobicContact CB-CG 3.79Å; N77-L79 PolarHBondContact O-N 2.63Å; L79-K81 PolarHBondContact O-N 3.24Å; L79-K81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | N | 97.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | trans | -80.4 | 25.1 | -177.1 | 69.7 | -48.8 | 0 | 0 | 0 | 114.5 | Y71 K75 Y82 L106 | Y71-N80 HydrophobicContact CE2-CB 4.09Å; K75-N80 HydrophobicContact CB-CB 4.4Å; N80-Y82 HydrophobicContact CB-CE2 4.49Å; N80-Y82 PolarHBondContact O-N 3.49Å; N80-L106 HydrophobicContact CB-CD2 4.15Å; N80-L106 WeakPolarHBondContact O-CD2 3.49Å | ||
| 81 | K | 97.1 | Very high | 96.9 | Very high | 117 Ų | 117 | 40.8 Ų | 40.8 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | trans | -91.5 | 87.2 | -179.7 | -59.5 | -57.4 | -178.6 | -178.3 | 0 | 110.4 | K11 L79 E109 | K11-K81 WeakPolarHBondContact CD-O 3.47Å; L79-K81 PolarHBondContact O-N 3.24Å; L79-K81 VanDerWaalsContact O-N 3.1Å; K81-E109 IonicContact NZ-OE2 2.94Å; K81-E109 PolarHBondContact NZ-OE2 2.81Å | ||
| 82 | Y | 98.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | trans | -105.2 | 152.3 | -179.9 | -61.5 | -72.6 | 0 | 0 | 0 | 112.6 | K11 L13 D41 N80 L106 N110 | K11-Y82 HydrophobicContact CB-CD1 4.37Å; K11-Y82 HydrophobicContact CD-CD1 3.91Å; K11-Y82 HydrophobicContact CD-CE1 3.92Å; K11-Y82 HydrophobicContact CG-CD1 3.8Å; K11-Y82 HydrophobicContact CG-CE1 4.05Å; L13-Y82 HydrophobicContact CB-CD1 3.81Å; L13-Y82 HydrophobicContact CB-CD2 3.96Å; L13-Y82 HydrophobicContact CB-CE1 3.84Å; L13-Y82 HydrophobicContact CB-CE2 3.96Å; L13-Y82 HydrophobicContact CB-CG 3.89Å; L13-Y82 HydrophobicContact CD1-CE2 4.38Å; L13-Y82 HydrophobicContact CD2-CD2 4.25Å; L13-Y82 HydrophobicContact CD2-CE2 3.93Å; L13-Y82 HydrophobicContact CG-CE2 4.31Å; D41-Y82 HydrophobicContact CB-CE1 3.82Å; D41-Y82 WeakPolarHBondContact CB-OH 3.42Å; D41-Y82 WeakPolarHBondContact OD2-CE1 3.39Å; D41-Y82 VanDerWaalsContact OD2-CZ 3.29Å; D41-Y82 PolarHBondContact OD2-OH 3.34Å; N80-Y82 HydrophobicContact CB-CE2 4.49Å; N80-Y82 PolarHBondContact O-N 3.49Å; Y82-L106 HydrophobicContact CD2-CD1 4.07Å; Y82-L106 HydrophobicContact CD2-CD2 3.77Å; Y82-L106 HydrophobicContact CE2-CD2 4.44Å; Y82-N110 PolarHBondContact O-ND2 3.24Å | ||
| 83 | T | 97.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -95 | -29.6 | 169.4 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | C9 K11 L113 K114 | C9-T83 WeakPolarHBondContact O-CG2 3.43Å; K11-T83 PolarHBondContact N-OG1 2.94Å; K11-T83 PolarHBondContact O-N 3.48Å; K11-T83 PolarHBondContact O-OG1 2.89Å; T83-L113 WeakPolarHBondContact O-CA 3.38Å; T83-K114 PolarHBondContact O-N 3.36Å; T83-K114 VanDerWaalsContact O-N 3.14Å |
| 84 | H | 98.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 152.5 | -174.9 | -61.8 | 76.8 | 0 | 0 | 0 | 110.7 | L10 K11 V12 L13 K114 Y116 L261 E265 | L10-H84 VanDerWaalsContact CD2-CE1 3.48Å; L10-H84 WeakPolarHBondContact CD2-CE1 3.34Å; K11-H84 PolarHBondContact O-N 2.85Å; K11-H84 VanDerWaalsContact O-N 3.16Å; V12-H84 WeakPolarHBondContact CA-O 3.19Å; V12-H84 HydrophobicContact CB-CB 4.46Å; V12-H84 HydrophobicContact CG1-CB 4.29Å; V12-H84 HydrophobicContact CG2-CB 4.04Å; L13-H84 PolarHBondContact N-O 3.12Å; H84-K114 CarbonylContact C-O 3.49Å; H84-K114 VanDerWaalsContact CA-O 3.23Å; H84-K114 WeakPolarHBondContact CA-O 3.36Å; H84-Y116 AromaticContact CD2-CE2 3.77Å; H84-L261 HydrophobicContact CB-CD1 4.34Å; H84-E265 VanDerWaalsContact NE2-CD 3.26Å; H84-E265 VanDerWaalsContact NE2-CG 3.28Å; H84-E265 WeakPolarHBondContact NE2-CG 3.44Å; H84-E265 IonicContact NE2-OE1 2.81Å; H84-E265 IonicContact NE2-OE2 3.64Å |
| 85 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.3 | 165 | 176.5 | 0 | 0 | 0 | 0 | 107.7 | L13 T87 V103 L106 L113 K114 Y115 Y116 | L13-V85 HydrophobicContact CB-CG2 4.34Å; L13-V85 CarbonylContact O-C 3.58Å; L13-V85 WeakPolarHBondContact O-CA 3.3Å; V85-T87 HydrophobicContact CG1-CG2 4.12Å; V85-V103 HydrophobicContact CB-CG2 4.47Å; V85-V103 HydrophobicContact CG1-CG2 3.95Å; V85-L106 HydrophobicContact CG2-CD1 3.65Å; V85-L113 HydrophobicContact CG2-CD1 4.16Å; V85-L113 HydrophobicContact CG2-CD2 4Å; V85-K114 PolarHBondContact N-O 3.08Å; V85-Y115 HydrophobicContact CB-CD2 3.86Å; V85-Y115 HydrophobicContact CB-CE2 4.49Å; V85-Y115 HydrophobicContact CG1-CD2 3.82Å; V85-Y115 HydrophobicContact CG1-CE2 3.96Å; V85-Y116 WeakPolarHBondContact O-CB 3.31Å; V85-Y116 PolarHBondContact O-N 3.27Å |
| 86 | L | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.6 | 173.6 | 175.9 | 64.4 | 0 | 0 | 0 | 109.9 | V12 L13 C14 I15 A29 L33 Y116 A257 A258 L261 | V12-L86 HydrophobicContact CG1-CB 4.06Å; L13-L86 PolarHBondContact O-N 2.93Å; C14-L86 CarbonylContact C-O 3.58Å; C14-L86 VanDerWaalsContact CA-O 3.27Å; C14-L86 WeakPolarHBondContact CA-O 3.31Å; I15-L86 PolarHBondContact N-O 3.1Å; A29-L86 HydrophobicContact CB-CD2 4.35Å; L33-L86 HydrophobicContact CD1-CD2 4.45Å; L86-Y116 CarbonylContact C-O 3.52Å; L86-Y116 VanDerWaalsContact CA-O 3.29Å; L86-Y116 WeakPolarHBondContact CA-O 3.3Å; L86-A257 HydrophobicContact CD1-CB 4.08Å; L86-A258 HydrophobicContact CD2-CB 4.35Å; L86-L261 HydrophobicContact CB-CD1 3.97Å; L86-L261 HydrophobicContact CD2-CD1 4.42Å |
| 87 | T | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 158.6 | 176.4 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | I15 V85 V99 Y115 Y116 D118 | I15-T87 HydrophobicContact CB-CG2 4.15Å; I15-T87 WeakPolarHBondContact O-CA 3.47Å; V85-T87 HydrophobicContact CG1-CG2 4.12Å; T87-V99 HydrophobicContact CG2-CG1 3.61Å; T87-Y115 HydrophobicContact CG2-CE2 3.5Å; T87-Y115 WeakPolarHBondContact CG2-OH 3.21Å; T87-Y115 WeakPolarHBondContact OG1-CE2 3.38Å; T87-Y115 VanDerWaalsContact OG1-CZ 3.31Å; T87-Y115 PolarHBondContact OG1-OH 2.96Å; T87-Y116 PolarHBondContact N-O 3.33Å; T87-D118 WeakPolarHBondContact O-CB 2.85Å; T87-D118 PolarHBondContact O-N 3.09Å |
| 88 | G | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -154.2 | -135 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | I15 L90 D118 | I15-G88 PolarHBondContact O-N 3.14Å; G88-L90 PolarHBondContact O-N 2.96Å; G88-D118 WeakPolarHBondContact CA-O 3.42Å | ||
| 89 | Y | 94.1 | Very high | 95.8 | Very high | 62 Ų | 62 | 25.7 Ų | 25.7 | 24% | 0.243 | 14% | 0.139 | C | C | . | . | trans | -54.2 | 124.5 | -175.8 | -177.6 | -89.4 | 0 | 0 | 0 | 114.2 | S45 A91 V120 V129 | S45-Y89 PolarHBondContact OG-O 2.96Å; Y89-A91 HydrophobicContact CE1-CB 3.96Å; Y89-V120 HydrophobicContact CD2-CG1 3.97Å; Y89-V129 HydrophobicContact CE2-CG1 4.06Å | ||
| 90 | L | 92.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | trans | -129.2 | 127.6 | 173.8 | -71.2 | 159.5 | 0 | 0 | 0 | 108.9 | I15 M67 G88 L96 V99 | I15-L90 HydrophobicContact CG2-CD2 4.39Å; M67-L90 HydrophobicContact CE-CD2 4.14Å; G88-L90 PolarHBondContact O-N 2.96Å; L90-L96 HydrophobicContact CD1-CB 4.44Å; L90-L96 HydrophobicContact CD1-CD1 3.43Å; L90-L96 VanDerWaalsContact CD1-CD1 3.43Å; L90-V99 HydrophobicContact CD1-CB 4.37Å; L90-V99 HydrophobicContact CD1-CG2 3.87Å; L90-V99 HydrophobicContact CD2-CG2 4.13Å | ||
| 91 | A | 82.8 | Confident | 95.9 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 21% | 0.207 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -80.5 | -15.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V46 V61 Y89 | V46-A91 HydrophobicContact CG1-CB 3.92Å; V61-A91 HydrophobicContact CG1-CB 4.14Å; Y89-A91 HydrophobicContact CE1-CB 3.96Å |
| 92 | S | 90.2 | Very high | 96 | Very high | 24 Ų | 24 | 18.7 Ų | 18.7 | 17% | 0.168 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -142.9 | 150.2 | -171.3 | 85.2 | 0 | 0 | 0 | 0 | 113.8 | S94 S95 L96 | S92-S94 VanDerWaalsContact C-N 3.29Å; S92-S94 PolarHBondContact O-N 3.42Å; S92-S94 PolarHBondContact OG-OG 2.96Å; S92-S95 PolarHBondContact O-N 2.88Å; S92-S95 PolarHBondContact OG-N 3.46Å; S92-S95 PolarHBondContact OG-OG 3.09Å; S92-L96 PolarHBondContact O-N 3.46Å |
| 93 | P | 94 | Very high | 96 | Very high | 40 Ų | 40 | 18.5 Ų | 18.5 | 26% | 0.26 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -53.3 | -43.2 | 173.5 | -26.8 | 33.3 | 0 | 0 | 0 | 113.3 | S95 L96 E97 E132 L133 I136 | P93-S95 PolarHBondContact O-N 3.23Å; P93-L96 PolarHBondContact O-N 2.98Å; P93-E97 WeakPolarHBondContact O-CG 3.11Å; P93-E97 PolarHBondContact O-N 2.92Å; P93-E132 HydrophobicContact CG-CB 4.17Å; P93-L133 HydrophobicContact CB-CD1 4.47Å; P93-L133 HydrophobicContact CG-CD1 3.78Å; P93-I136 HydrophobicContact CB-CD1 3.56Å |
| 94 | S | 94.8 | Very high | 96 | Very high | 63 Ų | 63 | 18.5 Ų | 18.5 | 44% | 0.441 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -68.6 | -34.1 | -177.5 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | A64 S92 A98 | A64-S94 WeakPolarHBondContact CB-O 3.36Å; S92-S94 VanDerWaalsContact C-N 3.29Å; S92-S94 PolarHBondContact O-N 3.42Å; S92-S94 PolarHBondContact OG-OG 2.96Å; S94-A98 PolarHBondContact O-N 3.41Å |
| 95 | S | 94.5 | Very high | 96 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 172.3 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | L62 S92 P93 A98 V99 | L62-S95 PolarHBondContact O-OG 2.89Å; S92-S95 PolarHBondContact O-N 2.88Å; S92-S95 PolarHBondContact OG-N 3.46Å; S92-S95 PolarHBondContact OG-OG 3.09Å; P93-S95 PolarHBondContact O-N 3.23Å; S95-A98 WeakPolarHBondContact O-CB 3.41Å; S95-A98 PolarHBondContact O-N 3.08Å; S95-V99 WeakPolarHBondContact O-CG2 3.11Å; S95-V99 PolarHBondContact O-N 3.1Å |
| 96 | L | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 178.1 | -169.8 | 62.3 | 0 | 0 | 0 | 111.8 | L90 S92 P93 A98 V99 A100 L133 I136 Y137 I141 | L90-L96 HydrophobicContact CD1-CB 4.44Å; L90-L96 HydrophobicContact CD1-CD1 3.43Å; L90-L96 VanDerWaalsContact CD1-CD1 3.43Å; S92-L96 PolarHBondContact O-N 3.46Å; P93-L96 PolarHBondContact O-N 2.98Å; L96-A98 VanDerWaalsContact C-N 3.35Å; L96-A98 PolarHBondContact O-N 3.43Å; L96-V99 WeakPolarHBondContact O-CB 3.31Å; L96-V99 PolarHBondContact O-N 3.32Å; L96-A100 PolarHBondContact O-N 2.57Å; L96-L133 HydrophobicContact CD2-CB 4.24Å; L96-L133 HydrophobicContact CD2-CD2 4.39Å; L96-L133 HydrophobicContact CD2-CG 4.11Å; L96-I136 HydrophobicContact CB-CG2 4.12Å; L96-I136 HydrophobicContact CD2-CB 3.85Å; L96-I136 HydrophobicContact CD2-CG2 3.59Å; L96-I136 HydrophobicContact CG-CB 4.47Å; L96-I136 HydrophobicContact CG-CG2 3.66Å; L96-Y137 HydrophobicContact CD1-CD1 4.44Å; L96-Y137 HydrophobicContact CD1-CE1 3.89Å; L96-Y137 HydrophobicContact CD1-CE2 4.48Å; L96-Y137 HydrophobicContact CD2-CD1 4.31Å; L96-Y137 HydrophobicContact CD2-CD2 3.74Å; L96-Y137 HydrophobicContact CD2-CE1 4.29Å; L96-Y137 HydrophobicContact CD2-CE2 3.76Å; L96-Y137 HydrophobicContact CD2-CG 4.02Å; L96-I141 HydrophobicContact CD1-CD1 3.64Å; L96-I141 HydrophobicContact CD1-CG1 3.71Å; L96-I141 HydrophobicContact CD2-CG1 4.28Å; L96-I141 HydrophobicContact CG-CD1 3.96Å; L96-I141 HydrophobicContact CG-CG1 3.84Å |
| 97 | E | 97.2 | Very high | 96 | Very high | 56 Ų | 56 | 22 Ų | 22 | 26% | 0.262 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -60 | -42.8 | 171.2 | -73.1 | -70.3 | 177.4 | 0 | 0 | 112.3 | P93 V99 A100 D101 I136 R140 | P93-E97 WeakPolarHBondContact O-CG 3.11Å; P93-E97 PolarHBondContact O-N 2.92Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 2.92Å; E97-A100 WeakPolarHBondContact O-CB 3.12Å; E97-A100 PolarHBondContact O-N 2.71Å; E97-D101 PolarHBondContact O-N 3.21Å; E97-I136 HydrophobicContact CG-CD1 4.18Å; E97-I136 HydrophobicContact CG-CG2 4.22Å; E97-R140 IonicContact OE1-NH1 2.6Å; E97-R140 IonicContact OE2-CZ 2.72Å; E97-R140 VanDerWaalsContact OE2-CZ 3.26Å; E97-R140 IonicContact OE2-NH1 2.86Å; E97-R140 PolarHBondContact OE2-NH1 3.17Å; E97-R140 IonicContact OE2-NH2 3.8Å |
| 98 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A64 M67 K68 S94 S95 L96 D101 I102 | A64-A98 HydrophobicContact CB-CB 4.14Å; M67-A98 HydrophobicContact SD-CB 4.03Å; K68-A98 HydrophobicContact CD-CB 4.47Å; K68-A98 HydrophobicContact CG-CB 4.13Å; S94-A98 PolarHBondContact O-N 3.41Å; S95-A98 WeakPolarHBondContact O-CB 3.41Å; S95-A98 PolarHBondContact O-N 3.08Å; L96-A98 VanDerWaalsContact C-N 3.35Å; L96-A98 PolarHBondContact O-N 3.43Å; A98-D101 PolarHBondContact O-N 3.19Å; A98-I102 VanDerWaalsContact O-CG1 3.25Å; A98-I102 WeakPolarHBondContact O-CG1 3.48Å; A98-I102 PolarHBondContact O-N 3.13Å |
| 99 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 173.7 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | I15 M67 T87 L90 S95 L96 E97 D101 I102 V103 I141 | I15-V99 HydrophobicContact CB-CG2 4.49Å; I15-V99 HydrophobicContact CD1-CG2 4.19Å; I15-V99 HydrophobicContact CG2-CG2 3.9Å; M67-V99 HydrophobicContact SD-CG2 3.8Å; T87-V99 HydrophobicContact CG2-CG1 3.61Å; L90-V99 HydrophobicContact CD1-CB 4.37Å; L90-V99 HydrophobicContact CD1-CG2 3.87Å; L90-V99 HydrophobicContact CD2-CG2 4.13Å; S95-V99 WeakPolarHBondContact O-CG2 3.11Å; S95-V99 PolarHBondContact O-N 3.1Å; L96-V99 WeakPolarHBondContact O-CB 3.31Å; L96-V99 PolarHBondContact O-N 3.32Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 2.92Å; V99-D101 VanDerWaalsContact C-N 3.3Å; V99-D101 PolarHBondContact O-N 2.92Å; V99-I102 PolarHBondContact O-N 3.42Å; V99-V103 HydrophobicContact CG1-CG2 4.18Å; V99-V103 WeakPolarHBondContact O-CB 3.45Å; V99-V103 WeakPolarHBondContact O-CG2 3.25Å; V99-V103 PolarHBondContact O-N 2.72Å; V99-I141 HydrophobicContact CG1-CD1 4.34Å |
| 100 | A | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L96 E97 S104 R140 I141 L144 | L96-A100 PolarHBondContact O-N 2.57Å; E97-A100 WeakPolarHBondContact O-CB 3.12Å; E97-A100 PolarHBondContact O-N 2.71Å; A100-S104 WeakPolarHBondContact O-CB 3.29Å; A100-S104 PolarHBondContact O-N 2.8Å; A100-R140 HydrophobicContact CB-CB 3.89Å; A100-I141 HydrophobicContact CB-CD1 3.82Å; A100-L144 HydrophobicContact CB-CD1 4.4Å; A100-L144 WeakPolarHBondContact O-CD1 3.27Å |
| 101 | D | 98.3 | Very high | 96.2 | Very high | 62 Ų | 62 | 38 Ų | 38 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.1 | -66.4 | -19.3 | 0 | 0 | 0 | 111.9 | K68 E97 A98 V99 S104 D105 R140 | K68-D101 WeakPolarHBondContact CE-OD2 3.19Å; K68-D101 IonicContact NZ-OD2 2.58Å; K68-D101 PolarHBondContact NZ-OD2 3.21Å; E97-D101 PolarHBondContact O-N 3.21Å; A98-D101 PolarHBondContact O-N 3.19Å; V99-D101 VanDerWaalsContact C-N 3.3Å; V99-D101 PolarHBondContact O-N 2.92Å; D101-S104 PolarHBondContact O-N 3.2Å; D101-D105 WeakPolarHBondContact O-CB 3.46Å; D101-D105 PolarHBondContact O-N 2.89Å; D101-R140 IonicContact OD1-NH2 2.67Å; D101-R140 PolarHBondContact OD1-NH2 3.05Å |
| 102 | I | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -49.7 | 178.6 | -70.2 | 166.1 | 0 | 0 | 0 | 110.8 | L13 I15 M67 Y71 A98 V99 S104 D105 L106 | L13-I102 HydrophobicContact CD2-CG2 4.31Å; I15-I102 HydrophobicContact CD1-CG2 4.39Å; M67-I102 HydrophobicContact CG-CD1 3.94Å; M67-I102 HydrophobicContact SD-CD1 4.3Å; Y71-I102 HydrophobicContact CD1-CG1 3.9Å; Y71-I102 HydrophobicContact CD2-CG1 4.32Å; Y71-I102 HydrophobicContact CD2-CG2 3.71Å; Y71-I102 HydrophobicContact CE2-CG2 3.88Å; Y71-I102 HydrophobicContact CG-CB 4.47Å; Y71-I102 HydrophobicContact CG-CD1 4.24Å; Y71-I102 HydrophobicContact CG-CG1 3.78Å; Y71-I102 HydrophobicContact CG-CG2 4.05Å; A98-I102 VanDerWaalsContact O-CG1 3.25Å; A98-I102 WeakPolarHBondContact O-CG1 3.48Å; A98-I102 PolarHBondContact O-N 3.13Å; V99-I102 PolarHBondContact O-N 3.42Å; I102-S104 VanDerWaalsContact C-N 3.31Å; I102-S104 PolarHBondContact O-N 3.08Å; I102-D105 PolarHBondContact O-N 2.81Å; I102-L106 HydrophobicContact CG2-CD1 3.89Å; I102-L106 HydrophobicContact CG2-CG 4.38Å; I102-L106 WeakPolarHBondContact O-CB 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 2.68Å |
| 103 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 179.9 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V85 V99 L106 K107 Y115 L144 | V85-V103 HydrophobicContact CB-CG2 4.47Å; V85-V103 HydrophobicContact CG1-CG2 3.95Å; V99-V103 HydrophobicContact CG1-CG2 4.18Å; V99-V103 WeakPolarHBondContact O-CB 3.45Å; V99-V103 WeakPolarHBondContact O-CG2 3.25Å; V99-V103 PolarHBondContact O-N 2.72Å; V103-L106 PolarHBondContact O-N 2.85Å; V103-K107 HydrophobicContact CG1-CD 4.41Å; V103-K107 PolarHBondContact O-N 3.5Å; V103-Y115 HydrophobicContact CG1-CD1 3.75Å; V103-Y115 HydrophobicContact CG1-CD2 4.5Å; V103-Y115 HydrophobicContact CG1-CE1 4.29Å; V103-Y115 HydrophobicContact CG1-CG 3.87Å; V103-Y115 HydrophobicContact CG2-CD1 4.41Å; V103-Y115 HydrophobicContact CG2-CD2 4.22Å; V103-Y115 HydrophobicContact CG2-CE1 4.33Å; V103-Y115 HydrophobicContact CG2-CE2 4.15Å; V103-Y115 HydrophobicContact CG2-CG 4.37Å; V103-L144 HydrophobicContact CB-CD1 4.25Å; V103-L144 HydrophobicContact CG1-CB 4.11Å; V103-L144 HydrophobicContact CG1-CD1 4.15Å |
| 104 | S | 98.5 | Very high | 97.5 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | A100 D101 I102 K107 K108 | A100-S104 WeakPolarHBondContact O-CB 3.29Å; A100-S104 PolarHBondContact O-N 2.8Å; D101-S104 PolarHBondContact O-N 3.2Å; I102-S104 VanDerWaalsContact C-N 3.31Å; I102-S104 PolarHBondContact O-N 3.08Å; S104-K107 PolarHBondContact O-N 2.88Å; S104-K108 WeakPolarHBondContact O-CG 3.27Å; S104-K108 PolarHBondContact O-N 3.44Å; S104-K108 VanDerWaalsContact O-N 3.16Å |
| 105 | D | 98.5 | Very high | 97.6 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.3 | -169.3 | 67 | 0 | 0 | 0 | 112.1 | Y71 K75 D101 I102 K107 K108 E109 | Y71-D105 HydrophobicContact CE1-CB 4.18Å; Y71-D105 VanDerWaalsContact CE1-OD2 3.28Å; Y71-D105 WeakPolarHBondContact CE1-OD2 3.45Å; Y71-D105 VanDerWaalsContact CZ-OD2 3.3Å; Y71-D105 PolarHBondContact OH-OD2 3.46Å; K75-D105 IonicContact NZ-OD1 3.36Å; K75-D105 PolarHBondContact NZ-OD1 2.78Å; K75-D105 IonicContact NZ-OD2 3.32Å; K75-D105 PolarHBondContact NZ-OD2 2.99Å; D101-D105 WeakPolarHBondContact O-CB 3.46Å; D101-D105 PolarHBondContact O-N 2.89Å; I102-D105 PolarHBondContact O-N 2.81Å; D105-K107 PolarHBondContact O-N 2.95Å; D105-K108 WeakPolarHBondContact O-CB 3.43Å; D105-K108 PolarHBondContact O-N 3.3Å; D105-E109 PolarHBondContact O-N 3.45Å; D105-E109 VanDerWaalsContact O-N 3.14Å |
| 106 | L | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -38.8 | 176.4 | -75.5 | 177.2 | 0 | 0 | 0 | 113.2 | L13 Y71 N80 Y82 V85 I102 V103 K108 E109 N110 L113 | L13-L106 HydrophobicContact CD2-CD1 3.86Å; Y71-L106 HydrophobicContact CE2-CD1 4.29Å; Y71-L106 HydrophobicContact CE2-CD2 3.79Å; Y71-L106 HydrophobicContact CE2-CG 3.88Å; Y71-L106 WeakPolarHBondContact OH-CD2 3.44Å; N80-L106 HydrophobicContact CB-CD2 4.15Å; N80-L106 WeakPolarHBondContact O-CD2 3.49Å; Y82-L106 HydrophobicContact CD2-CD1 4.07Å; Y82-L106 HydrophobicContact CD2-CD2 3.77Å; Y82-L106 HydrophobicContact CE2-CD2 4.44Å; V85-L106 HydrophobicContact CG2-CD1 3.65Å; I102-L106 HydrophobicContact CG2-CD1 3.89Å; I102-L106 HydrophobicContact CG2-CG 4.38Å; I102-L106 WeakPolarHBondContact O-CB 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 2.68Å; V103-L106 PolarHBondContact O-N 2.85Å; L106-K108 VanDerWaalsContact C-N 3.32Å; L106-E109 PolarHBondContact O-N 2.86Å; L106-N110 PolarHBondContact O-N 3.35Å; L106-L113 HydrophobicContact CB-CD1 3.81Å; L106-L113 HydrophobicContact CD1-CD1 4.49Å |
| 107 | K | 98.4 | Very high | 98 | Very high | 46 Ų | 46 | 40.4 Ų | 40.4 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.1 | -27.6 | 174.7 | -78.7 | -174.3 | 175.7 | -76.6 | 0 | 113.1 | V103 S104 D105 N110 S111 L113 L144 D146 | V103-K107 HydrophobicContact CG1-CD 4.41Å; V103-K107 PolarHBondContact O-N 3.5Å; S104-K107 PolarHBondContact O-N 2.88Å; D105-K107 PolarHBondContact O-N 2.95Å; K107-N110 CarbonylContact O-C 3.52Å; K107-N110 VanDerWaalsContact O-C 3.23Å; K107-S111 WeakPolarHBondContact O-CA 3.33Å; K107-S111 PolarHBondContact O-N 3.27Å; K107-L113 HydrophobicContact CG-CB 4.46Å; K107-L113 HydrophobicContact CG-CD2 3.86Å; K107-L113 PolarHBondContact NZ-O 2.88Å; K107-L144 WeakPolarHBondContact CE-O 3.46Å; K107-D146 IonicContact NZ-OD1 3.13Å; K107-D146 IonicContact NZ-OD2 3.9Å; K107-D146 PolarHBondContact NZ-OD2 2.87Å |
| 108 | K | 97.8 | Very high | 98 | Very high | 160 Ų | 160 | 38.3 Ų | 38.3 | 70% | 0.696 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -68.6 | -38.1 | 171.1 | -69.2 | 168.9 | -171.8 | 170.6 | 0 | 111.5 | S104 D105 L106 | S104-K108 WeakPolarHBondContact O-CG 3.27Å; S104-K108 PolarHBondContact O-N 3.44Å; S104-K108 VanDerWaalsContact O-N 3.16Å; D105-K108 WeakPolarHBondContact O-CB 3.43Å; D105-K108 PolarHBondContact O-N 3.3Å; L106-K108 VanDerWaalsContact C-N 3.32Å |
| 109 | E | 95.9 | Very high | 98 | Very high | 87 Ų | 87 | 38.3 Ų | 38.3 | 41% | 0.407 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.8 | -35.5 | 176.8 | -70 | -71.9 | 151.6 | 0 | 0 | 112.9 | K81 D105 L106 | K81-E109 IonicContact NZ-OE2 2.94Å; K81-E109 PolarHBondContact NZ-OE2 2.81Å; D105-E109 PolarHBondContact O-N 3.45Å; D105-E109 VanDerWaalsContact O-N 3.14Å; L106-E109 PolarHBondContact O-N 2.86Å |
| 110 | N | 97 | Very high | 97.8 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | trans | -139.3 | 99.7 | 177.7 | 177 | 11.9 | 0 | 0 | 0 | 110.2 | Y82 L106 K107 N112 L113 | Y82-N110 PolarHBondContact O-ND2 3.24Å; L106-N110 PolarHBondContact O-N 3.35Å; K107-N110 CarbonylContact O-C 3.52Å; K107-N110 VanDerWaalsContact O-C 3.23Å; N110-N112 PolarHBondContact O-N 2.99Å; N110-N112 VanDerWaalsContact O-N 3.14Å; N110-N112 WeakPolarHBondContact OD1-CB 3.33Å; N110-N112 PolarHBondContact OD1-N 3.43Å; N110-L113 HydrophobicContact CB-CB 4.18Å; N110-L113 WeakPolarHBondContact O-CB 2.99Å; N110-L113 PolarHBondContact O-N 3.44Å | ||
| 111 | S | 96.4 | Very high | 97.6 | Very high | 104 Ų | 104 | 39.6 Ų | 39.6 | 73% | 0.727 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.8 | 179.4 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | K107 | K107-S111 WeakPolarHBondContact O-CA 3.33Å; K107-S111 PolarHBondContact O-N 3.27Å |
| 112 | N | 96.1 | Very high | 97.3 | Very high | 136 Ų | 136 | 36.7 Ų | 36.7 | 73% | 0.727 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.5 | 174.7 | -64.3 | -46 | 0 | 0 | 0 | 113.1 | N110 K114 | N110-N112 PolarHBondContact O-N 2.99Å; N110-N112 VanDerWaalsContact O-N 3.14Å; N110-N112 WeakPolarHBondContact OD1-CB 3.33Å; N110-N112 PolarHBondContact OD1-N 3.43Å; N112-K114 PolarHBondContact O-N 2.99Å |
| 113 | L | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -62.8 | 129.8 | 178.5 | 179.7 | 145.2 | 0 | 0 | 0 | 110.7 | T83 V85 L106 K107 N110 | T83-L113 WeakPolarHBondContact O-CA 3.38Å; V85-L113 HydrophobicContact CG2-CD1 4.16Å; V85-L113 HydrophobicContact CG2-CD2 4Å; L106-L113 HydrophobicContact CB-CD1 3.81Å; L106-L113 HydrophobicContact CD1-CD1 4.49Å; K107-L113 HydrophobicContact CG-CB 4.46Å; K107-L113 HydrophobicContact CG-CD2 3.86Å; K107-L113 PolarHBondContact NZ-O 2.88Å; N110-L113 HydrophobicContact CB-CB 4.18Å; N110-L113 WeakPolarHBondContact O-CB 2.99Å; N110-L113 PolarHBondContact O-N 3.44Å | ||
| 114 | K | 98.3 | Very high | 96.1 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.4 | 176.4 | -68.1 | 179 | 178.3 | 177.2 | 0 | 111.7 | T83 H84 V85 N112 Y116 D146 E265 | T83-K114 PolarHBondContact O-N 3.36Å; T83-K114 VanDerWaalsContact O-N 3.14Å; H84-K114 CarbonylContact C-O 3.49Å; H84-K114 VanDerWaalsContact CA-O 3.23Å; H84-K114 WeakPolarHBondContact CA-O 3.36Å; V85-K114 PolarHBondContact N-O 3.08Å; N112-K114 PolarHBondContact O-N 2.99Å; K114-Y116 HydrophobicContact CB-CD2 4.33Å; K114-Y116 HydrophobicContact CB-CE2 4.04Å; K114-Y116 HydrophobicContact CD-CE2 4.43Å; K114-D146 VanDerWaalsContact CA-OD2 3.3Å; K114-D146 WeakPolarHBondContact CA-OD2 3.47Å; K114-D146 HydrophobicContact CB-CB 4.24Å; K114-D146 HydrophobicContact CG-CB 4.47Å; K114-E265 WeakPolarHBondContact CD-OE1 3.23Å; K114-E265 IonicContact NZ-OE1 3.82Å; K114-E265 PolarHBondContact NZ-OE1 2.87Å; K114-E265 IonicContact NZ-OE2 2.7Å; K114-E265 PolarHBondContact NZ-OE2 2.86Å |
| 115 | Y | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.9 | 177.4 | 179.1 | -147.4 | 0 | 0 | 0 | 111.2 | V85 T87 V103 C117 I141 L144 D146 V147 | V85-Y115 HydrophobicContact CB-CD2 3.86Å; V85-Y115 HydrophobicContact CB-CE2 4.49Å; V85-Y115 HydrophobicContact CG1-CD2 3.82Å; V85-Y115 HydrophobicContact CG1-CE2 3.96Å; T87-Y115 HydrophobicContact CG2-CE2 3.5Å; T87-Y115 WeakPolarHBondContact CG2-OH 3.21Å; T87-Y115 WeakPolarHBondContact OG1-CE2 3.38Å; T87-Y115 VanDerWaalsContact OG1-CZ 3.31Å; T87-Y115 PolarHBondContact OG1-OH 2.96Å; V103-Y115 HydrophobicContact CG1-CD1 3.75Å; V103-Y115 HydrophobicContact CG1-CD2 4.5Å; V103-Y115 HydrophobicContact CG1-CE1 4.29Å; V103-Y115 HydrophobicContact CG1-CG 3.87Å; V103-Y115 HydrophobicContact CG2-CD1 4.41Å; V103-Y115 HydrophobicContact CG2-CD2 4.22Å; V103-Y115 HydrophobicContact CG2-CE1 4.33Å; V103-Y115 HydrophobicContact CG2-CE2 4.15Å; V103-Y115 HydrophobicContact CG2-CG 4.37Å; Y115-C117 HydrophobicContact CE1-CB 4.07Å; Y115-C117 HydrophobicContact CE2-CB 4.09Å; Y115-I141 HydrophobicContact CE1-CG2 3.81Å; Y115-I141 WeakPolarHBondContact OH-CG2 3.25Å; Y115-L144 HydrophobicContact CD1-CB 4.06Å; Y115-L144 WeakPolarHBondContact CD1-O 3.48Å; Y115-L144 HydrophobicContact CE1-CB 4.44Å; Y115-D146 PolarHBondContact N-OD2 3.09Å; Y115-D146 PolarHBondContact O-N 3.35Å; Y115-V147 PolarHBondContact O-N 3.37Å |
| 116 | Y | 98.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.6 | 174.9 | -79.3 | -115.7 | 0 | 0 | 0 | 108.6 | H84 V85 L86 T87 K114 V147 F149 L261 E265 | H84-Y116 AromaticContact CD2-CE2 3.77Å; V85-Y116 WeakPolarHBondContact O-CB 3.31Å; V85-Y116 PolarHBondContact O-N 3.27Å; L86-Y116 CarbonylContact C-O 3.52Å; L86-Y116 VanDerWaalsContact CA-O 3.29Å; L86-Y116 WeakPolarHBondContact CA-O 3.3Å; T87-Y116 PolarHBondContact N-O 3.33Å; K114-Y116 HydrophobicContact CB-CD2 4.33Å; K114-Y116 HydrophobicContact CB-CE2 4.04Å; K114-Y116 HydrophobicContact CD-CE2 4.43Å; Y116-V147 WeakPolarHBondContact CA-O 2.97Å; Y116-V147 HydrophobicContact CD1-CB 3.86Å; Y116-V147 HydrophobicContact CD1-CG1 4.1Å; Y116-V147 HydrophobicContact CD1-CG2 4.11Å; Y116-V147 HydrophobicContact CD2-CB 4.35Å; Y116-V147 HydrophobicContact CD2-CG2 4.12Å; Y116-V147 HydrophobicContact CE1-CB 3.89Å; Y116-V147 HydrophobicContact CE1-CG1 3.99Å; Y116-V147 HydrophobicContact CE1-CG2 3.69Å; Y116-V147 HydrophobicContact CE2-CB 4.42Å; Y116-V147 HydrophobicContact CE2-CG2 3.73Å; Y116-V147 HydrophobicContact CG-CB 4.05Å; Y116-V147 HydrophobicContact CG-CG2 4.27Å; Y116-V147 VanDerWaalsContact CZ-CG2 3.48Å; Y116-F149 AromaticContact CD1-CE2 3.7Å; Y116-F149 HydrophobicContact CD1-CE2 3.7Å; Y116-F149 AromaticContact CD1-CZ 3.51Å; Y116-F149 HydrophobicContact CD1-CZ 3.51Å; Y116-F149 HydrophobicContact CE1-CZ 4Å; Y116-F149 HydrophobicContact CG-CE2 4.38Å; Y116-L261 HydrophobicContact CD1-CB 3.73Å; Y116-L261 HydrophobicContact CD1-CD1 4.1Å; Y116-L261 HydrophobicContact CD1-CG 3.98Å; Y116-L261 HydrophobicContact CD2-CD1 4.08Å; Y116-L261 HydrophobicContact CD2-CG 4.23Å; Y116-L261 HydrophobicContact CE1-CB 3.75Å; Y116-L261 HydrophobicContact CE1-CG 4.03Å; Y116-L261 HydrophobicContact CE2-CG 4.24Å; Y116-L261 HydrophobicContact CG-CB 4.35Å; Y116-L261 HydrophobicContact CG-CD1 3.86Å; Y116-L261 HydrophobicContact CG-CG 4.14Å; Y116-E265 HydrophobicContact CE2-CG 4.24Å; Y116-E265 VanDerWaalsContact OH-CG 3.31Å; Y116-E265 WeakPolarHBondContact OH-CG 3.34Å; Y116-E265 PolarHBondContact OH-OE1 3.31Å |
| 117 | C | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.2 | -175.2 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | Y115 P119 I141 V147 I148 F149 | Y115-C117 HydrophobicContact CE1-CB 4.07Å; Y115-C117 HydrophobicContact CE2-CB 4.09Å; C117-P119 WeakPolarHBondContact O-CD 3.46Å; C117-I141 HydrophobicContact CB-CG2 4.49Å; C117-I141 VanDerWaalsContact SG-CG2 3.56Å; C117-V147 PolarHBondContact N-O 2.96Å; C117-I148 HydrophobicContact CB-CG2 4.21Å; C117-I148 VanDerWaalsContact O-CA 3.23Å; C117-I148 WeakPolarHBondContact O-CA 3.31Å; C117-F149 PolarHBondContact O-N 3Å; C117-F149 VanDerWaalsContact O-N 3.09Å |
| 118 | D | 98.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | trans | -91.8 | 103.6 | 162.8 | -177.3 | 5.5 | 0 | 0 | 0 | 108.7 | T87 G88 V120 F149 | T87-D118 WeakPolarHBondContact O-CB 2.85Å; T87-D118 PolarHBondContact O-N 3.09Å; G88-D118 WeakPolarHBondContact CA-O 3.42Å; D118-V120 HydrophobicContact CB-CG2 4.38Å; D118-V120 PolarHBondContact O-N 2.64Å; D118-F149 HydrophobicContact CB-CB 4.33Å; D118-F149 HydrophobicContact CB-CD2 4.34Å | ||
| 119 | P | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -81.7 | 65 | -171.5 | 36.8 | -36.7 | 0 | 0 | 0 | 111.6 | C117 L121 Y137 P150 E154 L158 | C117-P119 WeakPolarHBondContact O-CD 3.46Å; P119-L121 WeakPolarHBondContact O-CG 3.32Å; P119-L121 PolarHBondContact O-N 3.43Å; P119-Y137 HydrophobicContact CB-CD1 3.99Å; P119-Y137 HydrophobicContact CB-CE1 3.81Å; P119-Y137 HydrophobicContact CB-CG 4.49Å; P119-P150 HydrophobicContact CG-CB 3.91Å; P119-E154 WeakPolarHBondContact O-CG 3.5Å; P119-L158 HydrophobicContact CB-CD1 3.83Å; P119-L158 HydrophobicContact CG-CD1 3.8Å | ||
| 120 | V | 94.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 48 Ų | 48 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | trans | -61.7 | 104.6 | -174 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | Y89 D118 E154 | Y89-V120 HydrophobicContact CD2-CG1 3.97Å; D118-V120 HydrophobicContact CB-CG2 4.38Å; D118-V120 PolarHBondContact O-N 2.64Å; V120-E154 WeakPolarHBondContact CA-OE1 3.47Å | ||
| 121 | L | 94 | Very high | 93 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -119.5 | -36 | 179.7 | -70.5 | 165.2 | 0 | 0 | 0 | 111.8 | P119 L127 Y128 V129 L133 V134 Y137 E154 I157 L158 | P119-L121 WeakPolarHBondContact O-CG 3.32Å; P119-L121 PolarHBondContact O-N 3.43Å; L121-L127 HydrophobicContact CB-CD2 3.84Å; L121-L127 CarbonylContact O-C 3.59Å; L121-L127 WeakPolarHBondContact O-CA 3.16Å; L121-L127 WeakPolarHBondContact O-CD2 3.44Å; L121-Y128 PolarHBondContact O-N 2.93Å; L121-V129 HydrophobicContact CB-CG2 4.45Å; L121-V129 HydrophobicContact CD2-CG2 3.77Å; L121-L133 HydrophobicContact CD2-CB 3.97Å; L121-V134 HydrophobicContact CD1-CG2 4.2Å; L121-V134 HydrophobicContact CD2-CG2 3.86Å; L121-Y137 HydrophobicContact CD1-CD2 4.37Å; L121-Y137 HydrophobicContact CD2-CD2 3.7Å; L121-Y137 HydrophobicContact CD2-CE2 3.77Å; L121-Y137 HydrophobicContact CG-CD2 4.09Å; L121-Y137 HydrophobicContact CG-CE2 4.06Å; L121-E154 HydrophobicContact CB-CG 3.9Å; L121-E154 HydrophobicContact CD1-CG 4.44Å; L121-E154 PolarHBondContact N-OE1 2.87Å; L121-I157 HydrophobicContact CD1-CG2 4.27Å; L121-L158 HydrophobicContact CD1-CD1 4.4Å; L121-L158 HydrophobicContact CD1-CD2 3.89Å; L121-L158 HydrophobicContact CD1-CG 4.03Å | ||
| 122 | G | 90.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | 179.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K126 N151 F153 E154 | G122-K126 VanDerWaalsContact CA-O 3.25Å; G122-K126 WeakPolarHBondContact CA-O 3.34Å; G122-N151 PolarHBondContact O-ND2 2.87Å; G122-F153 VanDerWaalsContact C-CD1 3.44Å; G122-E154 PolarHBondContact N-OE1 3.1Å |
| 123 | D | 88.1 | Confident | 92.8 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 161.8 | 179.1 | -176.3 | 24.9 | 0 | 0 | 0 | 109.4 | G125 K126 Y128 | D123-G125 VanDerWaalsContact C-N 3.28Å; D123-G125 PolarHBondContact O-N 2.92Å; D123-K126 PolarHBondContact N-O 3.4Å; D123-K126 VanDerWaalsContact N-O 3.13Å; D123-K126 PolarHBondContact O-N 3.22Å; D123-Y128 HydrophobicContact CB-CE2 4Å; D123-Y128 WeakPolarHBondContact CB-OH 3.38Å; D123-Y128 PolarHBondContact O-OH 2.9Å |
| 124 | N | 84 | Confident | 92.7 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 57% | 0.567 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 41.2 | 179.2 | -59.3 | -65.6 | 0 | 0 | 0 | 114 | K126 | N124-K126 VanDerWaalsContact C-N 3.34Å; N124-K126 PolarHBondContact O-N 2.97Å |
| 125 | G | 87 | Confident | 92.7 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 58% | 0.577 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 8.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D123 F153 | D123-G125 VanDerWaalsContact C-N 3.28Å; D123-G125 PolarHBondContact O-N 2.92Å; G125-F153 VanDerWaalsContact C-CZ 3.41Å |
| 126 | K | 90.6 | Very high | 92.6 | Very high | 151 Ų | 151 | 47.6 Ų | 47.6 | 66% | 0.657 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.4 | -176.9 | -64.2 | -177.5 | -178 | 178 | 0 | 112 | G122 D123 N124 Y128 F153 | G122-K126 VanDerWaalsContact CA-O 3.25Å; G122-K126 WeakPolarHBondContact CA-O 3.34Å; D123-K126 PolarHBondContact N-O 3.4Å; D123-K126 VanDerWaalsContact N-O 3.13Å; D123-K126 PolarHBondContact O-N 3.22Å; N124-K126 VanDerWaalsContact C-N 3.34Å; N124-K126 PolarHBondContact O-N 2.97Å; K126-Y128 HydrophobicContact CB-CE1 4.49Å; K126-F153 VanDerWaalsContact C-CE1 3.47Å; K126-F153 WeakPolarHBondContact O-CE1 3.44Å |
| 127 | L | 89.9 | Confident | 92.6 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.8 | 168.4 | -70.2 | 171.9 | 0 | 0 | 0 | 110.7 | L121 P131 V134 F153 I157 | L121-L127 HydrophobicContact CB-CD2 3.84Å; L121-L127 CarbonylContact O-C 3.59Å; L121-L127 WeakPolarHBondContact O-CA 3.16Å; L121-L127 WeakPolarHBondContact O-CD2 3.44Å; L127-P131 HydrophobicContact CD1-CB 4.13Å; L127-P131 HydrophobicContact CD1-CG 4.08Å; L127-V134 HydrophobicContact CD2-CG2 4.33Å; L127-F153 HydrophobicContact CD2-CE1 4.14Å; L127-F153 HydrophobicContact CG-CE1 4.43Å; L127-F153 HydrophobicContact CG-CZ 4.44Å; L127-I157 HydrophobicContact CD2-CD1 3.9Å |
| 128 | Y | 84.4 | Confident | 92.5 | Very high | 131 Ų | 131 | 50.3 Ų | 50.3 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -100.2 | -8.9 | 170.5 | -54.7 | -26.3 | 0 | 0 | 0 | 112.5 | L121 D123 K126 | L121-Y128 PolarHBondContact O-N 2.93Å; D123-Y128 HydrophobicContact CB-CE2 4Å; D123-Y128 WeakPolarHBondContact CB-OH 3.38Å; D123-Y128 PolarHBondContact O-OH 2.9Å; K126-Y128 HydrophobicContact CB-CE1 4.49Å |
| 129 | V | 84.8 | Confident | 92.5 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -123.6 | 163.2 | -175.5 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | Y89 L121 L133 | Y89-V129 HydrophobicContact CE2-CG1 4.06Å; L121-V129 HydrophobicContact CB-CG2 4.45Å; L121-V129 HydrophobicContact CD2-CG2 3.77Å; V129-L133 HydrophobicContact CB-CD1 4.49Å; V129-L133 HydrophobicContact CB-CD2 3.95Å; V129-L133 HydrophobicContact CG1-CD2 4.36Å; V129-L133 HydrophobicContact CG2-CB 4.13Å; V129-L133 HydrophobicContact CG2-CD2 3.9Å; V129-L133 HydrophobicContact CG2-CG 4.43Å |
| 130 | P | 90.2 | Very high | 92.6 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | trans | -54.5 | 134.8 | 174.1 | -25.3 | 33.3 | 0 | 0 | 0 | 112.2 | E132 L133 | P130-E132 WeakPolarHBondContact CB-OE2 3.37Å; P130-E132 PolarHBondContact O-N 3.42Å; P130-L133 HydrophobicContact CB-CD1 3.85Å; P130-L133 HydrophobicContact CG-CD1 4.07Å; P130-L133 WeakPolarHBondContact O-CD1 3.46Å; P130-L133 PolarHBondContact O-N 3.47Å | ||
| 131 | P | 92.4 | Very high | 92.7 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.1 | -178.3 | -26.1 | 34.6 | 0 | 0 | 0 | 114.7 | L127 L133 V134 | L127-P131 HydrophobicContact CD1-CB 4.13Å; L127-P131 HydrophobicContact CD1-CG 4.08Å; P131-L133 PolarHBondContact O-N 2.81Å; P131-V134 WeakPolarHBondContact O-CB 3.29Å; P131-V134 WeakPolarHBondContact O-CG2 3.32Å; P131-V134 PolarHBondContact O-N 2.58Å |
| 132 | E | 94.6 | Very high | 93 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.9 | -27.1 | 177.2 | -59.7 | 82.1 | 177.4 | 0 | 0 | 112.4 | P93 P130 V134 Q135 I136 | P93-E132 HydrophobicContact CG-CB 4.17Å; P130-E132 WeakPolarHBondContact CB-OE2 3.37Å; P130-E132 PolarHBondContact O-N 3.42Å; E132-V134 PolarHBondContact O-N 3.38Å; E132-Q135 PolarHBondContact O-N 3.08Å; E132-I136 WeakPolarHBondContact O-CG1 3.3Å; E132-I136 PolarHBondContact O-N 3.26Å |
| 133 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -31.2 | 176.7 | -83.5 | 77 | 0 | 0 | 0 | 111.7 | P93 L96 L121 V129 P130 P131 Q135 I136 Y137 | P93-L133 HydrophobicContact CB-CD1 4.47Å; P93-L133 HydrophobicContact CG-CD1 3.78Å; L96-L133 HydrophobicContact CD2-CB 4.24Å; L96-L133 HydrophobicContact CD2-CD2 4.39Å; L96-L133 HydrophobicContact CD2-CG 4.11Å; L121-L133 HydrophobicContact CD2-CB 3.97Å; V129-L133 HydrophobicContact CB-CD1 4.49Å; V129-L133 HydrophobicContact CB-CD2 3.95Å; V129-L133 HydrophobicContact CG1-CD2 4.36Å; V129-L133 HydrophobicContact CG2-CB 4.13Å; V129-L133 HydrophobicContact CG2-CD2 3.9Å; V129-L133 HydrophobicContact CG2-CG 4.43Å; P130-L133 HydrophobicContact CB-CD1 3.85Å; P130-L133 HydrophobicContact CG-CD1 4.07Å; P130-L133 WeakPolarHBondContact O-CD1 3.46Å; P130-L133 PolarHBondContact O-N 3.47Å; P131-L133 PolarHBondContact O-N 2.81Å; L133-Q135 PolarHBondContact O-N 3Å; L133-I136 PolarHBondContact O-N 3.3Å; L133-Y137 HydrophobicContact CB-CD2 4.33Å; L133-Y137 HydrophobicContact CB-CE2 4.38Å; L133-Y137 WeakPolarHBondContact O-CD2 3.21Å; L133-Y137 PolarHBondContact O-N 3.24Å |
| 134 | V | 96.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -49 | 179.6 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | L121 L127 P131 E132 I136 Y137 Q138 I157 | L121-V134 HydrophobicContact CD1-CG2 4.2Å; L121-V134 HydrophobicContact CD2-CG2 3.86Å; L127-V134 HydrophobicContact CD2-CG2 4.33Å; P131-V134 WeakPolarHBondContact O-CB 3.29Å; P131-V134 WeakPolarHBondContact O-CG2 3.32Å; P131-V134 PolarHBondContact O-N 2.58Å; E132-V134 PolarHBondContact O-N 3.38Å; V134-I136 PolarHBondContact O-N 2.93Å; V134-Y137 PolarHBondContact O-N 3.39Å; V134-Q138 WeakPolarHBondContact O-CG 3.38Å; V134-Q138 PolarHBondContact O-N 3.05Å; V134-I157 HydrophobicContact CB-CG2 4.28Å; V134-I157 HydrophobicContact CG1-CG2 3.45Å; V134-I157 VanDerWaalsContact CG1-CG2 3.45Å; V134-I157 HydrophobicContact CG2-CG2 3.78Å |
| 135 | Q | 96.8 | Very high | 94.5 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 179.7 | -175.2 | 176.9 | 3.3 | 0 | 0 | 111.1 | E132 L133 Y137 Q138 E139 | E132-Q135 PolarHBondContact O-N 3.08Å; L133-Q135 PolarHBondContact O-N 3Å; Q135-Y137 VanDerWaalsContact C-N 3.35Å; Q135-Y137 PolarHBondContact O-N 3.29Å; Q135-Q138 PolarHBondContact O-N 3.35Å; Q135-E139 HydrophobicContact CG-CG 4.24Å; Q135-E139 VanDerWaalsContact CG-OE1 3.3Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.5Å; Q135-E139 PolarHBondContact NE2-OE1 3.46Å; Q135-E139 WeakPolarHBondContact O-CB 3.29Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 3.18Å |
| 136 | I | 97.7 | Very high | 95.1 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 179.1 | -61.5 | 167 | 0 | 0 | 0 | 110.9 | P93 L96 E97 E132 L133 V134 Q138 E139 R140 I141 | P93-I136 HydrophobicContact CB-CD1 3.56Å; L96-I136 HydrophobicContact CB-CG2 4.12Å; L96-I136 HydrophobicContact CD2-CB 3.85Å; L96-I136 HydrophobicContact CD2-CG2 3.59Å; L96-I136 HydrophobicContact CG-CB 4.47Å; L96-I136 HydrophobicContact CG-CG2 3.66Å; E97-I136 HydrophobicContact CG-CD1 4.18Å; E97-I136 HydrophobicContact CG-CG2 4.22Å; E132-I136 WeakPolarHBondContact O-CG1 3.3Å; E132-I136 PolarHBondContact O-N 3.26Å; L133-I136 PolarHBondContact O-N 3.3Å; V134-I136 PolarHBondContact O-N 2.93Å; I136-Q138 PolarHBondContact O-N 3.34Å; I136-E139 PolarHBondContact O-N 3.43Å; I136-R140 HydrophobicContact CG2-CB 4.3Å; I136-R140 WeakPolarHBondContact O-CA 3.38Å; I136-R140 WeakPolarHBondContact O-CB 3.37Å; I136-R140 PolarHBondContact O-N 3.09Å; I136-I141 PolarHBondContact O-N 3.27Å |
| 137 | Y | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -57.1 | -51.5 | 173.9 | -88.6 | -67.1 | 0 | 0 | 0 | 110.8 | L96 P119 L121 L133 V134 Q135 E139 I141 L142 | L96-Y137 HydrophobicContact CD1-CD1 4.44Å; L96-Y137 HydrophobicContact CD1-CE1 3.89Å; L96-Y137 HydrophobicContact CD1-CE2 4.48Å; L96-Y137 HydrophobicContact CD2-CD1 4.31Å; L96-Y137 HydrophobicContact CD2-CD2 3.74Å; L96-Y137 HydrophobicContact CD2-CE1 4.29Å; L96-Y137 HydrophobicContact CD2-CE2 3.76Å; L96-Y137 HydrophobicContact CD2-CG 4.02Å; P119-Y137 HydrophobicContact CB-CD1 3.99Å; P119-Y137 HydrophobicContact CB-CE1 3.81Å; P119-Y137 HydrophobicContact CB-CG 4.49Å; L121-Y137 HydrophobicContact CD1-CD2 4.37Å; L121-Y137 HydrophobicContact CD2-CD2 3.7Å; L121-Y137 HydrophobicContact CD2-CE2 3.77Å; L121-Y137 HydrophobicContact CG-CD2 4.09Å; L121-Y137 HydrophobicContact CG-CE2 4.06Å; L133-Y137 HydrophobicContact CB-CD2 4.33Å; L133-Y137 HydrophobicContact CB-CE2 4.38Å; L133-Y137 WeakPolarHBondContact O-CD2 3.21Å; L133-Y137 PolarHBondContact O-N 3.24Å; V134-Y137 PolarHBondContact O-N 3.39Å; Q135-Y137 VanDerWaalsContact C-N 3.35Å; Q135-Y137 PolarHBondContact O-N 3.29Å; Y137-E139 PolarHBondContact O-N 3.45Å; Y137-I141 HydrophobicContact CD1-CB 3.74Å; Y137-I141 HydrophobicContact CD1-CG1 3.97Å; Y137-I141 HydrophobicContact CD1-CG2 3.65Å; Y137-I141 HydrophobicContact CE1-CB 4.41Å; Y137-I141 HydrophobicContact CE1-CG1 4.43Å; Y137-I141 HydrophobicContact CE1-CG2 3.94Å; Y137-I141 PolarHBondContact O-N 2.86Å; Y137-I141 VanDerWaalsContact O-N 3.15Å; Y137-L142 WeakPolarHBondContact O-CB 3.19Å; Y137-L142 WeakPolarHBondContact O-CG 3.48Å; Y137-L142 PolarHBondContact O-N 3.41Å |
| 138 | Q | 98.1 | Very high | 95.9 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -63.3 | -41.7 | -178.1 | -69.3 | 175.6 | -37 | 0 | 0 | 113 | V134 Q135 I136 P143 L158 Y180 | V134-Q138 WeakPolarHBondContact O-CG 3.38Å; V134-Q138 PolarHBondContact O-N 3.05Å; Q135-Q138 PolarHBondContact O-N 3.35Å; I136-Q138 PolarHBondContact O-N 3.34Å; Q138-P143 WeakPolarHBondContact O-CD 3.45Å; Q138-L158 HydrophobicContact CG-CD2 4.05Å; Q138-L158 PolarHBondContact NE2-O 3.44Å; Q138-Y180 HydrophobicContact CB-CE1 4.46Å; Q138-Y180 WeakPolarHBondContact CG-OH 3.21Å; Q138-Y180 WeakPolarHBondContact O-CE1 3.32Å |
| 139 | E | 97.9 | Very high | 96.6 | Very high | 117 Ų | 117 | 39.3 Ų | 39.3 | 55% | 0.547 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -87.5 | -32.8 | -172.7 | -68.8 | 179.5 | -177.1 | 0 | 0 | 113.8 | Q135 I136 Y137 | Q135-E139 HydrophobicContact CG-CG 4.24Å; Q135-E139 VanDerWaalsContact CG-OE1 3.3Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.5Å; Q135-E139 PolarHBondContact NE2-OE1 3.46Å; Q135-E139 WeakPolarHBondContact O-CB 3.29Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 3.18Å; I136-E139 PolarHBondContact O-N 3.43Å; Y137-E139 PolarHBondContact O-N 3.45Å |
| 140 | R | 98.1 | Very high | 97.2 | Very high | 89 Ų | 89 | 38.8 Ų | 38.8 | 34% | 0.336 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -120.6 | -30 | -167.5 | -60.5 | -64.7 | -60.5 | -74.8 | -10.2 | 114.2 | E97 A100 D101 I136 L144 | E97-R140 IonicContact OE1-NH1 2.6Å; E97-R140 IonicContact OE2-CZ 2.72Å; E97-R140 VanDerWaalsContact OE2-CZ 3.26Å; E97-R140 IonicContact OE2-NH1 2.86Å; E97-R140 PolarHBondContact OE2-NH1 3.17Å; E97-R140 IonicContact OE2-NH2 3.8Å; A100-R140 HydrophobicContact CB-CB 3.89Å; D101-R140 IonicContact OD1-NH2 2.67Å; D101-R140 PolarHBondContact OD1-NH2 3.05Å; I136-R140 HydrophobicContact CG2-CB 4.3Å; I136-R140 WeakPolarHBondContact O-CA 3.38Å; I136-R140 WeakPolarHBondContact O-CB 3.37Å; I136-R140 PolarHBondContact O-N 3.09Å; R140-L144 VanDerWaalsContact O-CD1 3.22Å; R140-L144 WeakPolarHBondContact O-CD1 3.47Å; R140-L144 WeakPolarHBondContact O-CG 2.95Å |
| 141 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -100.3 | -52.6 | -171.9 | -56.6 | -69.4 | 0 | 0 | 0 | 112.1 | L96 V99 A100 Y115 C117 I136 Y137 P143 L144 S145 | L96-I141 HydrophobicContact CD1-CD1 3.64Å; L96-I141 HydrophobicContact CD1-CG1 3.71Å; L96-I141 HydrophobicContact CD2-CG1 4.28Å; L96-I141 HydrophobicContact CG-CD1 3.96Å; L96-I141 HydrophobicContact CG-CG1 3.84Å; V99-I141 HydrophobicContact CG1-CD1 4.34Å; A100-I141 HydrophobicContact CB-CD1 3.82Å; Y115-I141 HydrophobicContact CE1-CG2 3.81Å; Y115-I141 WeakPolarHBondContact OH-CG2 3.25Å; C117-I141 HydrophobicContact CB-CG2 4.49Å; C117-I141 VanDerWaalsContact SG-CG2 3.56Å; I136-I141 PolarHBondContact O-N 3.27Å; Y137-I141 HydrophobicContact CD1-CB 3.74Å; Y137-I141 HydrophobicContact CD1-CG1 3.97Å; Y137-I141 HydrophobicContact CD1-CG2 3.65Å; Y137-I141 HydrophobicContact CE1-CB 4.41Å; Y137-I141 HydrophobicContact CE1-CG1 4.43Å; Y137-I141 HydrophobicContact CE1-CG2 3.94Å; Y137-I141 PolarHBondContact O-N 2.86Å; Y137-I141 VanDerWaalsContact O-N 3.15Å; I141-P143 VanDerWaalsContact C-CD 3.49Å; I141-P143 VanDerWaalsContact C-N 3.35Å; I141-L144 WeakPolarHBondContact O-CB 3.47Å; I141-L144 PolarHBondContact O-N 2.96Å; I141-S145 PolarHBondContact O-N 2.64Å; I141-S145 PolarHBondContact O-OG 2.87Å |
| 142 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -57.8 | -40.6 | -179.8 | -67 | -171.9 | 0 | 0 | 0 | 112.5 | Y137 L144 S145 I148 L158 Y180 I182 | Y137-L142 WeakPolarHBondContact O-CB 3.19Å; Y137-L142 WeakPolarHBondContact O-CG 3.48Å; Y137-L142 PolarHBondContact O-N 3.41Å; L142-L144 PolarHBondContact O-N 2.97Å; L142-L144 VanDerWaalsContact O-N 3.16Å; L142-S145 WeakPolarHBondContact O-CB 3.23Å; L142-S145 PolarHBondContact O-N 3.23Å; L142-I148 HydrophobicContact CD2-CD1 4.34Å; L142-I148 HydrophobicContact CD2-CG2 3.97Å; L142-L158 HydrophobicContact CD1-CB 4.26Å; L142-L158 HydrophobicContact CD1-CD1 4.41Å; L142-L158 HydrophobicContact CD1-CD2 4.12Å; L142-Y180 HydrophobicContact CB-CD1 3.7Å; L142-Y180 HydrophobicContact CB-CD2 4.19Å; L142-Y180 HydrophobicContact CB-CE1 4.14Å; L142-Y180 HydrophobicContact CB-CG 3.73Å; L142-Y180 HydrophobicContact CD1-CD1 4.35Å; L142-Y180 HydrophobicContact CD1-CD2 3.75Å; L142-Y180 HydrophobicContact CD1-CE1 4.17Å; L142-Y180 HydrophobicContact CD1-CE2 3.54Å; L142-Y180 HydrophobicContact CD1-CG 4.15Å; L142-I182 HydrophobicContact CB-CD1 4.24Å; L142-I182 HydrophobicContact CD2-CD1 4.11Å |
| 143 | P | 98.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 31 Ų | 31 | 45% | 0.448 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -63.2 | -18.8 | 174.6 | -24.4 | 36.3 | 0 | 0 | 0 | 114.9 | Q138 I141 Y180 | Q138-P143 WeakPolarHBondContact O-CD 3.45Å; I141-P143 VanDerWaalsContact C-CD 3.49Å; I141-P143 VanDerWaalsContact C-N 3.35Å; P143-Y180 HydrophobicContact CG-CD1 4.29Å |
| 144 | L | 98.5 | Very high | 97.9 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 20% | 0.204 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -94.6 | -12 | 176.1 | -61.3 | 176.2 | 0 | 0 | 0 | 112.4 | A100 V103 K107 Y115 R140 I141 L142 | A100-L144 HydrophobicContact CB-CD1 4.4Å; A100-L144 WeakPolarHBondContact O-CD1 3.27Å; V103-L144 HydrophobicContact CB-CD1 4.25Å; V103-L144 HydrophobicContact CG1-CB 4.11Å; V103-L144 HydrophobicContact CG1-CD1 4.15Å; K107-L144 WeakPolarHBondContact CE-O 3.46Å; Y115-L144 HydrophobicContact CD1-CB 4.06Å; Y115-L144 WeakPolarHBondContact CD1-O 3.48Å; Y115-L144 HydrophobicContact CE1-CB 4.44Å; R140-L144 VanDerWaalsContact O-CD1 3.22Å; R140-L144 WeakPolarHBondContact O-CD1 3.47Å; R140-L144 WeakPolarHBondContact O-CG 2.95Å; I141-L144 WeakPolarHBondContact O-CB 3.47Å; I141-L144 PolarHBondContact O-N 2.96Å; L142-L144 PolarHBondContact O-N 2.97Å; L142-L144 VanDerWaalsContact O-N 3.16Å |
| 145 | S | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | trans | -82.7 | 136.5 | -167.6 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | I141 L142 | I141-S145 PolarHBondContact O-N 2.64Å; I141-S145 PolarHBondContact O-OG 2.87Å; L142-S145 WeakPolarHBondContact O-CB 3.23Å; L142-S145 PolarHBondContact O-N 3.23Å | ||
| 146 | D | 98.6 | Very high | 98.1 | Very high | 36 Ų | 36 | 27.5 Ų | 27.5 | 19% | 0.193 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -98.3 | -31.7 | 173.6 | -65.3 | -86.7 | 0 | 0 | 0 | 112.1 | K107 K114 Y115 P183 T184 | K107-D146 IonicContact NZ-OD1 3.13Å; K107-D146 IonicContact NZ-OD2 3.9Å; K107-D146 PolarHBondContact NZ-OD2 2.87Å; K114-D146 VanDerWaalsContact CA-OD2 3.3Å; K114-D146 WeakPolarHBondContact CA-OD2 3.47Å; K114-D146 HydrophobicContact CB-CB 4.24Å; K114-D146 HydrophobicContact CG-CB 4.47Å; Y115-D146 PolarHBondContact N-OD2 3.09Å; Y115-D146 PolarHBondContact O-N 3.35Å; D146-P183 WeakPolarHBondContact O-CD 3.44Å; D146-T184 PolarHBondContact O-N 3.14Å; D146-T184 VanDerWaalsContact O-N 3.09Å |
| 147 | V | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.7 | 176.5 | -171.2 | 0 | 0 | 0 | 0 | 109 | Y115 Y116 C117 F149 T184 I186 | Y115-V147 PolarHBondContact O-N 3.37Å; Y116-V147 WeakPolarHBondContact CA-O 2.97Å; Y116-V147 HydrophobicContact CD1-CB 3.86Å; Y116-V147 HydrophobicContact CD1-CG1 4.1Å; Y116-V147 HydrophobicContact CD1-CG2 4.11Å; Y116-V147 HydrophobicContact CD2-CB 4.35Å; Y116-V147 HydrophobicContact CD2-CG2 4.12Å; Y116-V147 HydrophobicContact CE1-CB 3.89Å; Y116-V147 HydrophobicContact CE1-CG1 3.99Å; Y116-V147 HydrophobicContact CE1-CG2 3.69Å; Y116-V147 HydrophobicContact CE2-CB 4.42Å; Y116-V147 HydrophobicContact CE2-CG2 3.73Å; Y116-V147 HydrophobicContact CG-CB 4.05Å; Y116-V147 HydrophobicContact CG-CG2 4.27Å; Y116-V147 VanDerWaalsContact CZ-CG2 3.48Å; C117-V147 PolarHBondContact N-O 2.96Å; V147-F149 HydrophobicContact CB-CZ 4.34Å; V147-F149 HydrophobicContact CG1-CE1 3.76Å; V147-F149 HydrophobicContact CG1-CE2 4.07Å; V147-F149 HydrophobicContact CG1-CZ 3.45Å; V147-F149 VanDerWaalsContact CG1-CZ 3.45Å; V147-T184 VanDerWaalsContact CA-O 3.32Å; V147-T184 WeakPolarHBondContact CA-O 3.34Å; V147-T184 HydrophobicContact CG1-CG2 3.99Å; V147-I186 HydrophobicContact CG1-CG1 4.47Å |
| 148 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149.4 | 173.4 | 64.8 | 168.4 | 0 | 0 | 0 | 112.9 | C117 L142 P150 L176 I182 T184 V185 I186 | C117-I148 HydrophobicContact CB-CG2 4.21Å; C117-I148 VanDerWaalsContact O-CA 3.23Å; C117-I148 WeakPolarHBondContact O-CA 3.31Å; L142-I148 HydrophobicContact CD2-CD1 4.34Å; L142-I148 HydrophobicContact CD2-CG2 3.97Å; I148-P150 HydrophobicContact CD1-CG 4.21Å; I148-P150 HydrophobicContact CG1-CG 4.48Å; I148-L176 HydrophobicContact CD1-CD1 4.05Å; I148-I182 HydrophobicContact CD1-CD1 3.73Å; I148-I182 HydrophobicContact CG1-CD1 4.25Å; I148-I182 HydrophobicContact CG1-CG2 4.29Å; I148-I182 HydrophobicContact CG2-CD1 3.93Å; I148-I182 HydrophobicContact CG2-CG2 4.28Å; I148-T184 PolarHBondContact N-O 3Å; I148-T184 VanDerWaalsContact N-O 3.14Å; I148-V185 HydrophobicContact CD1-CG1 3.99Å; I148-V185 HydrophobicContact CD1-CG2 4.18Å; I148-V185 HydrophobicContact CG1-CB 4.26Å; I148-V185 HydrophobicContact CG1-CG1 3.98Å; I148-V185 HydrophobicContact CG1-CG2 4.07Å; I148-I186 PolarHBondContact O-N 3.04Å |
| 149 | F | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | trans | -121.3 | 37.6 | -174.9 | -55.6 | -71.1 | 0 | 0 | 0 | 115.9 | Y116 C117 D118 V147 N151 I186 T188 F256 A257 T260 | Y116-F149 AromaticContact CD1-CE2 3.7Å; Y116-F149 HydrophobicContact CD1-CE2 3.7Å; Y116-F149 AromaticContact CD1-CZ 3.51Å; Y116-F149 HydrophobicContact CD1-CZ 3.51Å; Y116-F149 HydrophobicContact CE1-CZ 4Å; Y116-F149 HydrophobicContact CG-CE2 4.38Å; C117-F149 PolarHBondContact O-N 3Å; C117-F149 VanDerWaalsContact O-N 3.09Å; D118-F149 HydrophobicContact CB-CB 4.33Å; D118-F149 HydrophobicContact CB-CD2 4.34Å; V147-F149 HydrophobicContact CB-CZ 4.34Å; V147-F149 HydrophobicContact CG1-CE1 3.76Å; V147-F149 HydrophobicContact CG1-CE2 4.07Å; V147-F149 HydrophobicContact CG1-CZ 3.45Å; V147-F149 VanDerWaalsContact CG1-CZ 3.45Å; F149-N151 PolarHBondContact O-N 3.49Å; F149-I186 CarbonylContact C-O 3.51Å; F149-I186 WeakPolarHBondContact CA-O 3.27Å; F149-I186 HydrophobicContact CD1-CB 3.99Å; F149-I186 HydrophobicContact CD1-CG1 4.25Å; F149-I186 HydrophobicContact CD1-CG2 4.46Å; F149-I186 HydrophobicContact CE1-CB 4.38Å; F149-I186 HydrophobicContact CE1-CG1 4.14Å; F149-T188 HydrophobicContact CB-CG2 3.95Å; F149-T188 VanDerWaalsContact O-CG2 3.25Å; F149-T188 WeakPolarHBondContact O-CG2 3.36Å; F149-F256 HydrophobicContact CD1-CD1 4.14Å; F149-F256 AromaticContact CD1-CE1 3.94Å; F149-F256 HydrophobicContact CD1-CE1 3.94Å; F149-F256 HydrophobicContact CE1-CE1 4.28Å; F149-A257 HydrophobicContact CD2-CB 3.76Å; F149-A257 HydrophobicContact CE2-CB 3.88Å; F149-A257 HydrophobicContact CG-CB 4.21Å; F149-A257 HydrophobicContact CZ-CB 4.42Å; F149-T260 HydrophobicContact CE1-CG2 3.72Å; F149-T260 HydrophobicContact CZ-CG2 4.08Å | ||
| 150 | P | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -59.8 | 142.6 | -176.5 | 30 | -37.4 | 0 | 0 | 0 | 111.6 | P119 I148 E154 A155 I186 I187 T188 | P119-P150 HydrophobicContact CG-CB 3.91Å; I148-P150 HydrophobicContact CD1-CG 4.21Å; I148-P150 HydrophobicContact CG1-CG 4.48Å; P150-E154 WeakPolarHBondContact CA-OE2 3.34Å; P150-E154 HydrophobicContact CB-CB 3.68Å; P150-A155 HydrophobicContact CB-CB 3.97Å; P150-A155 HydrophobicContact CG-CB 4.01Å; P150-I186 WeakPolarHBondContact CD-O 3.33Å; P150-I187 VanDerWaalsContact O-CA 3.29Å; P150-I187 WeakPolarHBondContact O-CA 3.48Å; P150-T188 PolarHBondContact O-N 2.7Å; P150-T188 PolarHBondContact O-OG1 3Å | ||
| 151 | N | 96.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 10% | 0.096 | 13% | 0.131 | C | C | . | . | trans | -71.4 | 176.1 | 157.7 | 70.3 | 46.9 | 0 | 0 | 0 | 110.2 | G122 F149 F153 E154 A155 T188 | G122-N151 PolarHBondContact O-ND2 2.87Å; F149-N151 PolarHBondContact O-N 3.49Å; N151-F153 VanDerWaalsContact C-N 3.35Å; N151-F153 PolarHBondContact O-N 2.82Å; N151-F153 WeakPolarHBondContact OD1-CA 3.35Å; N151-F153 WeakPolarHBondContact OD1-CB 3.46Å; N151-F153 PolarHBondContact OD1-N 3.43Å; N151-E154 VanDerWaalsContact CG-OE2 3.25Å; N151-E154 PolarHBondContact N-OE2 3.32Å; N151-E154 PolarHBondContact ND2-OE1 3.3Å; N151-E154 PolarHBondContact ND2-OE2 2.94Å; N151-E154 VanDerWaalsContact ND2-OE2 3.1Å; N151-E154 PolarHBondContact O-N 2.97Å; N151-E154 PolarHBondContact OD1-N 2.88Å; N151-A155 WeakPolarHBondContact O-CB 3.32Å; N151-A155 PolarHBondContact O-N 3.45Å; N151-T188 WeakPolarHBondContact CA-OG1 3.35Å | ||
| 152 | Q | 96.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 26 Ų | 26 | 16% | 0.159 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52 | -50.5 | 178.8 | 175.3 | 173.1 | -18.2 | 0 | 0 | 113 | E154 A155 E156 I163 S189 T190 | Q152-E154 PolarHBondContact O-N 3.36Å; Q152-A155 PolarHBondContact O-N 2.91Å; Q152-E156 HydrophobicContact CG-CG 4.35Å; Q152-E156 PolarHBondContact NE2-OE1 2.9Å; Q152-E156 VanDerWaalsContact O-CG 3.27Å; Q152-E156 WeakPolarHBondContact O-CG 3.17Å; Q152-E156 PolarHBondContact O-N 2.88Å; Q152-I163 HydrophobicContact CG-CB 4.06Å; Q152-I163 HydrophobicContact CG-CD1 4.24Å; Q152-I163 HydrophobicContact CG-CG2 4.43Å; Q152-I163 PolarHBondContact NE2-O 3.35Å; Q152-S189 WeakPolarHBondContact CB-O 3.47Å; Q152-S189 PolarHBondContact N-O 3.33Å; Q152-T190 HydrophobicContact CB-CG2 4.19Å; Q152-T190 VanDerWaalsContact OE1-CA 3.26Å |
| 153 | F | 96.4 | Very high | 97.7 | Very high | 31 Ų | 31 | 26.2 Ų | 26.2 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | -175.3 | 174.8 | -110.5 | 0 | 0 | 0 | 111.8 | G122 G125 K126 L127 N151 E156 I157 | G122-F153 VanDerWaalsContact C-CD1 3.44Å; G125-F153 VanDerWaalsContact C-CZ 3.41Å; K126-F153 VanDerWaalsContact C-CE1 3.47Å; K126-F153 WeakPolarHBondContact O-CE1 3.44Å; L127-F153 HydrophobicContact CD2-CE1 4.14Å; L127-F153 HydrophobicContact CG-CE1 4.43Å; L127-F153 HydrophobicContact CG-CZ 4.44Å; N151-F153 VanDerWaalsContact C-N 3.35Å; N151-F153 PolarHBondContact O-N 2.82Å; N151-F153 WeakPolarHBondContact OD1-CA 3.35Å; N151-F153 WeakPolarHBondContact OD1-CB 3.46Å; N151-F153 PolarHBondContact OD1-N 3.43Å; F153-E156 PolarHBondContact O-N 3.35Å; F153-I157 HydrophobicContact CD1-CD1 3.73Å; F153-I157 HydrophobicContact CD2-CD1 4.06Å; F153-I157 HydrophobicContact CE1-CD1 3.26Å; F153-I157 HydrophobicContact CE2-CD1 3.6Å; F153-I157 HydrophobicContact CE2-CG1 4.25Å; F153-I157 HydrophobicContact CG-CD1 4.13Å; F153-I157 HydrophobicContact CZ-CD1 3.22Å; F153-I157 HydrophobicContact CZ-CG1 4.31Å; F153-I157 WeakPolarHBondContact O-CG1 3.42Å; F153-I157 PolarHBondContact O-N 3.4Å |
| 154 | E | 97.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 174.1 | -76.4 | 157.2 | 178.2 | 0 | 0 | 111.8 | P119 V120 L121 G122 P150 N151 Q152 E156 I157 L158 | P119-E154 WeakPolarHBondContact O-CG 3.5Å; V120-E154 WeakPolarHBondContact CA-OE1 3.47Å; L121-E154 HydrophobicContact CB-CG 3.9Å; L121-E154 HydrophobicContact CD1-CG 4.44Å; L121-E154 PolarHBondContact N-OE1 2.87Å; G122-E154 PolarHBondContact N-OE1 3.1Å; P150-E154 WeakPolarHBondContact CA-OE2 3.34Å; P150-E154 HydrophobicContact CB-CB 3.68Å; N151-E154 VanDerWaalsContact CG-OE2 3.25Å; N151-E154 PolarHBondContact N-OE2 3.32Å; N151-E154 PolarHBondContact ND2-OE1 3.3Å; N151-E154 PolarHBondContact ND2-OE2 2.94Å; N151-E154 VanDerWaalsContact ND2-OE2 3.1Å; N151-E154 PolarHBondContact O-N 2.97Å; N151-E154 PolarHBondContact OD1-N 2.88Å; Q152-E154 PolarHBondContact O-N 3.36Å; E154-E156 VanDerWaalsContact C-N 3.35Å; E154-E156 PolarHBondContact O-N 3.36Å; E154-I157 PolarHBondContact O-N 3.47Å; E154-L158 VanDerWaalsContact O-CB 3.31Å; E154-L158 WeakPolarHBondContact O-CB 3.45Å; E154-L158 WeakPolarHBondContact O-CG 3.41Å; E154-L158 PolarHBondContact O-N 2.73Å |
| 155 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P150 N151 Q152 S159 I163 I187 | P150-A155 HydrophobicContact CB-CB 3.97Å; P150-A155 HydrophobicContact CG-CB 4.01Å; N151-A155 WeakPolarHBondContact O-CB 3.32Å; N151-A155 PolarHBondContact O-N 3.45Å; Q152-A155 PolarHBondContact O-N 2.91Å; A155-S159 VanDerWaalsContact O-CB 3.23Å; A155-S159 WeakPolarHBondContact O-CB 3.48Å; A155-S159 PolarHBondContact O-N 2.92Å; A155-S159 PolarHBondContact O-OG 3.07Å; A155-I163 HydrophobicContact CB-CD1 4.04Å; A155-I187 HydrophobicContact CB-CD1 4.08Å; A155-I187 HydrophobicContact CB-CG1 4.21Å |
| 156 | E | 97.7 | Very high | 97.1 | Very high | 50 Ų | 50 | 32 Ų | 32 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 175.8 | -71.3 | 177.2 | 170.7 | 0 | 0 | 111.8 | Q152 F153 E154 G160 I161 I163 | Q152-E156 HydrophobicContact CG-CG 4.35Å; Q152-E156 PolarHBondContact NE2-OE1 2.9Å; Q152-E156 VanDerWaalsContact O-CG 3.27Å; Q152-E156 WeakPolarHBondContact O-CG 3.17Å; Q152-E156 PolarHBondContact O-N 2.88Å; F153-E156 PolarHBondContact O-N 3.35Å; E154-E156 VanDerWaalsContact C-N 3.35Å; E154-E156 PolarHBondContact O-N 3.36Å; E156-G160 WeakPolarHBondContact O-CA 3.34Å; E156-G160 PolarHBondContact O-N 3.02Å; E156-I161 WeakPolarHBondContact CG-O 3.24Å; E156-I163 HydrophobicContact CG-CB 4.23Å; E156-I163 HydrophobicContact CG-CD1 4.22Å; E156-I163 HydrophobicContact CG-CG1 3.94Å; E156-I163 WeakPolarHBondContact OE1-CB 3.28Å; E156-I163 PolarHBondContact OE1-N 3.43Å |
| 157 | I | 97.2 | Very high | 97 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 23% | 0.231 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -48.6 | 177.8 | -74.2 | 166.7 | 0 | 0 | 0 | 111.4 | L121 L127 V134 F153 E154 S159 | L121-I157 HydrophobicContact CD1-CG2 4.27Å; L127-I157 HydrophobicContact CD2-CD1 3.9Å; V134-I157 HydrophobicContact CB-CG2 4.28Å; V134-I157 HydrophobicContact CG1-CG2 3.45Å; V134-I157 VanDerWaalsContact CG1-CG2 3.45Å; V134-I157 HydrophobicContact CG2-CG2 3.78Å; F153-I157 HydrophobicContact CD1-CD1 3.73Å; F153-I157 HydrophobicContact CD2-CD1 4.06Å; F153-I157 HydrophobicContact CE1-CD1 3.26Å; F153-I157 HydrophobicContact CE2-CD1 3.6Å; F153-I157 HydrophobicContact CE2-CG1 4.25Å; F153-I157 HydrophobicContact CG-CD1 4.13Å; F153-I157 HydrophobicContact CZ-CD1 3.22Å; F153-I157 HydrophobicContact CZ-CG1 4.31Å; F153-I157 WeakPolarHBondContact O-CG1 3.42Å; F153-I157 PolarHBondContact O-N 3.4Å; E154-I157 PolarHBondContact O-N 3.47Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 3.24Å |
| 158 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.5 | -32.2 | -173.5 | -68.9 | 170.6 | 0 | 0 | 0 | 112 | P119 L121 Q138 L142 E154 L176 | P119-L158 HydrophobicContact CB-CD1 3.83Å; P119-L158 HydrophobicContact CG-CD1 3.8Å; L121-L158 HydrophobicContact CD1-CD1 4.4Å; L121-L158 HydrophobicContact CD1-CD2 3.89Å; L121-L158 HydrophobicContact CD1-CG 4.03Å; Q138-L158 HydrophobicContact CG-CD2 4.05Å; Q138-L158 PolarHBondContact NE2-O 3.44Å; L142-L158 HydrophobicContact CD1-CB 4.26Å; L142-L158 HydrophobicContact CD1-CD1 4.41Å; L142-L158 HydrophobicContact CD1-CD2 4.12Å; E154-L158 VanDerWaalsContact O-CB 3.31Å; E154-L158 WeakPolarHBondContact O-CB 3.45Å; E154-L158 WeakPolarHBondContact O-CG 3.41Å; E154-L158 PolarHBondContact O-N 2.73Å; L158-L176 HydrophobicContact CB-CD2 4.39Å |
| 159 | S | 97.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -93.6 | -24 | 179.4 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | A155 I157 I161 C172 | A155-S159 VanDerWaalsContact O-CB 3.23Å; A155-S159 WeakPolarHBondContact O-CB 3.48Å; A155-S159 PolarHBondContact O-N 2.92Å; A155-S159 PolarHBondContact O-OG 3.07Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 3.24Å; S159-I161 PolarHBondContact O-N 3.1Å; S159-I161 WeakPolarHBondContact OG-CB 3.5Å; S159-I161 PolarHBondContact OG-N 3.29Å; S159-C172 PolarHBondContact OG-SG 2.97Å |
| 160 | G | 96.8 | Very high | 96.7 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 65% | 0.649 | 22% | 0.216 | S | C | * | . | trans | 70.3 | 13 | -167 | 0 | 0 | 0 | 0 | 0 | 114.2 | E156 | E156-G160 WeakPolarHBondContact O-CA 3.34Å; E156-G160 PolarHBondContact O-N 3.02Å | ||
| 161 | I | 97.5 | Very high | 96.7 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | trans | -111.1 | 116.2 | -176.2 | -62.2 | 173 | 0 | 0 | 0 | 109.5 | E156 S159 C172 Y175 | E156-I161 WeakPolarHBondContact CG-O 3.24Å; S159-I161 PolarHBondContact O-N 3.1Å; S159-I161 WeakPolarHBondContact OG-CB 3.5Å; S159-I161 PolarHBondContact OG-N 3.29Å; I161-C172 HydrophobicContact CB-CB 4.32Å; I161-C172 HydrophobicContact CG2-CB 4.26Å; I161-Y175 VanDerWaalsContact CD1-CB 3.48Å; I161-Y175 HydrophobicContact CD1-CD2 4.01Å; I161-Y175 HydrophobicContact CD1-CG 3.78Å | ||
| 162 | P | 96.4 | Very high | 96.8 | Very high | 89 Ų | 89 | 40.4 Ų | 40.4 | 58% | 0.578 | 23% | 0.228 | S | C | * | . | trans | -63.5 | 142.3 | 174.5 | -21.1 | 32.7 | 0 | 0 | 0 | 112.6 | ||||
| 163 | I | 96 | Very high | 96.8 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -108.9 | 105.1 | 176.7 | -61.1 | 174.8 | 0 | 0 | 0 | 108.9 | Q152 A155 E156 S168 A169 C172 I187 T190 I192 | Q152-I163 HydrophobicContact CG-CB 4.06Å; Q152-I163 HydrophobicContact CG-CD1 4.24Å; Q152-I163 HydrophobicContact CG-CG2 4.43Å; Q152-I163 PolarHBondContact NE2-O 3.35Å; A155-I163 HydrophobicContact CB-CD1 4.04Å; E156-I163 HydrophobicContact CG-CB 4.23Å; E156-I163 HydrophobicContact CG-CD1 4.22Å; E156-I163 HydrophobicContact CG-CG1 3.94Å; E156-I163 WeakPolarHBondContact OE1-CB 3.28Å; E156-I163 PolarHBondContact OE1-N 3.43Å; I163-S168 WeakPolarHBondContact CA-OG 3.48Å; I163-A169 HydrophobicContact CG2-CB 3.79Å; I163-C172 HydrophobicContact CD1-CB 4.11Å; I163-C172 HydrophobicContact CG1-CB 4.15Å; I163-I187 HydrophobicContact CD1-CD1 3.74Å; I163-T190 HydrophobicContact CG2-CG2 4.34Å; I163-I192 HydrophobicContact CG2-CD1 3.89Å; I163-I192 HydrophobicContact CG2-CG1 4.08Å | ||
| 164 | T | 94.6 | Very high | 96.9 | Very high | 104 Ų | 104 | 39.2 Ų | 39.2 | 64% | 0.638 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -115.2 | -17.3 | -179.7 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | S168 | T164-S168 PolarHBondContact N-OG 2.95Š|
| 165 | D | 94.4 | Very high | 96.9 | Very high | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -156.1 | 173.8 | -179.6 | 63.4 | 29.3 | 0 | 0 | 0 | 111 | K167 S168 A169 I192 | D165-K167 VanDerWaalsContact C-N 3.26Å; D165-K167 PolarHBondContact O-N 3.47Å; D165-K167 WeakPolarHBondContact OD1-CB 3.44Å; D165-K167 PolarHBondContact OD1-N 2.8Å; D165-K167 VanDerWaalsContact OD1-N 3.09Å; D165-S168 PolarHBondContact N-OG 3.05Å; D165-S168 PolarHBondContact O-N 3.08Å; D165-S168 PolarHBondContact O-OG 2.82Å; D165-S168 WeakPolarHBondContact OD1-CB 3.4Å; D165-S168 PolarHBondContact OD1-N 2.88Å; D165-S168 PolarHBondContact OD1-OG 3.47Å; D165-S168 VanDerWaalsContact OD1-OG 3.05Å; D165-A169 PolarHBondContact O-N 3.49Å; D165-I192 VanDerWaalsContact C-CD1 3.5Å |
| 166 | E | 94.8 | Very high | 96.9 | Very high | 59 Ų | 59 | 43 Ų | 43 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.1 | -38.9 | 179.8 | 175.5 | 166.8 | 107.8 | 0 | 0 | 112.5 | S168 A169 L170 Y201 R239 M340 | E166-S168 VanDerWaalsContact C-N 3.35Å; E166-S168 PolarHBondContact O-N 3.09Å; E166-A169 WeakPolarHBondContact O-CB 3.38Å; E166-A169 PolarHBondContact O-N 2.8Å; E166-L170 HydrophobicContact CG-CG 4.46Å; E166-L170 WeakPolarHBondContact O-CG 3.36Å; E166-L170 PolarHBondContact O-N 2.78Å; E166-Y201 HydrophobicContact CB-CE1 4.32Å; E166-Y201 WeakPolarHBondContact CB-OH 3.4Å; E166-Y201 HydrophobicContact CG-CE1 3.67Å; E166-Y201 WeakPolarHBondContact OE2-CE1 3.33Å; E166-R239 IonicContact OE1-CZ 2.71Å; E166-R239 IonicContact OE1-NE 3.69Å; E166-R239 IonicContact OE1-NH2 3.73Å; E166-R239 PolarHBondContact OE1-NH2 3.09Å; E166-R239 IonicContact OE2-CZ 2.87Å; E166-R239 IonicContact OE2-NE 2.88Å; E166-R239 PolarHBondContact OE2-NE 3.43Å; E166-R239 IonicContact OE2-NH2 2.68Å; E166-R239 PolarHBondContact OE2-NH2 2.94Å; E166-M340 VanDerWaalsContact CD-CE 3.47Å; E166-M340 HydrophobicContact CG-CE 3.9Å; E166-M340 WeakPolarHBondContact OE1-CE 3.46Å |
| 167 | K | 95.6 | Very high | 96.9 | Very high | 124 Ų | 124 | 41 Ų | 41 | 54% | 0.539 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -43.3 | -179 | -177.6 | 179.1 | 178.5 | -179.4 | 0 | 111.1 | D165 L170 N171 | D165-K167 VanDerWaalsContact C-N 3.26Å; D165-K167 PolarHBondContact O-N 3.47Å; D165-K167 WeakPolarHBondContact OD1-CB 3.44Å; D165-K167 PolarHBondContact OD1-N 2.8Å; D165-K167 VanDerWaalsContact OD1-N 3.09Å; K167-L170 PolarHBondContact O-N 2.95Å; K167-N171 PolarHBondContact O-N 2.8Å; K167-N171 PolarHBondContact O-ND2 2.98Å |
| 168 | S | 96.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.3 | -36.2 | 176 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | I163 T164 D165 E166 N171 C172 | I163-S168 WeakPolarHBondContact CA-OG 3.48Å; T164-S168 PolarHBondContact N-OG 2.95Å; D165-S168 PolarHBondContact N-OG 3.05Å; D165-S168 PolarHBondContact O-N 3.08Å; D165-S168 PolarHBondContact O-OG 2.82Å; D165-S168 WeakPolarHBondContact OD1-CB 3.4Å; D165-S168 PolarHBondContact OD1-N 2.88Å; D165-S168 PolarHBondContact OD1-OG 3.47Å; D165-S168 VanDerWaalsContact OD1-OG 3.05Å; E166-S168 VanDerWaalsContact C-N 3.35Å; E166-S168 PolarHBondContact O-N 3.09Å; S168-N171 WeakPolarHBondContact O-CB 3.17Å; S168-N171 PolarHBondContact O-N 3.43Å; S168-C172 WeakPolarHBondContact O-CB 3.48Å; S168-C172 PolarHBondContact O-N 2.86Å |
| 169 | A | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I163 D165 E166 N171 C172 I173 I187 I192 Y201 | I163-A169 HydrophobicContact CG2-CB 3.79Å; D165-A169 PolarHBondContact O-N 3.49Å; E166-A169 WeakPolarHBondContact O-CB 3.38Å; E166-A169 PolarHBondContact O-N 2.8Å; A169-N171 VanDerWaalsContact C-N 3.33Å; A169-N171 PolarHBondContact O-N 2.73Å; A169-C172 WeakPolarHBondContact O-CB 3.22Å; A169-C172 PolarHBondContact O-N 2.8Å; A169-I173 WeakPolarHBondContact O-CG1 3.5Å; A169-I173 PolarHBondContact O-N 2.85Å; A169-I187 HydrophobicContact CB-CD1 4.48Å; A169-I192 HydrophobicContact CB-CD1 4.39Å; A169-Y201 HydrophobicContact CB-CD2 3.62Å; A169-Y201 HydrophobicContact CB-CE2 3.58Å; A169-Y201 HydrophobicContact CB-CG 4.38Å |
| 170 | L | 96.9 | Very high | 96.9 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -35 | 175.9 | -62.3 | -176.1 | 0 | 0 | 0 | 112.4 | E166 K167 I173 N174 M340 | E166-L170 HydrophobicContact CG-CG 4.46Å; E166-L170 WeakPolarHBondContact O-CG 3.36Å; E166-L170 PolarHBondContact O-N 2.78Å; K167-L170 PolarHBondContact O-N 2.95Å; L170-I173 HydrophobicContact CD2-CD1 4.42Å; L170-I173 PolarHBondContact O-N 2.93Å; L170-N174 WeakPolarHBondContact O-CB 3.29Å; L170-N174 PolarHBondContact O-N 3.27Å; L170-N174 PolarHBondContact O-ND2 3.19Å; L170-N174 PolarHBondContact O-OD1 3.2Å; L170-M340 HydrophobicContact CD1-CE 3.78Å; L170-M340 HydrophobicContact CD2-CE 3.95Å; L170-M340 HydrophobicContact CD2-SD 4.3Å; L170-M340 HydrophobicContact CG-CE 4.25Å |
| 171 | N | 97.2 | Very high | 96.9 | Very high | 66 Ų | 66 | 56 Ų | 56 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 173.6 | -72.1 | -21.9 | 0 | 0 | 0 | 111.8 | K167 S168 A169 N174 Y175 | K167-N171 PolarHBondContact O-N 2.8Å; K167-N171 PolarHBondContact O-ND2 2.98Å; S168-N171 WeakPolarHBondContact O-CB 3.17Å; S168-N171 PolarHBondContact O-N 3.43Å; A169-N171 VanDerWaalsContact C-N 3.33Å; A169-N171 PolarHBondContact O-N 2.73Å; N171-N174 PolarHBondContact O-N 2.84Å; N171-Y175 PolarHBondContact O-N 3.05Å |
| 172 | C | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | S159 I161 I163 S168 A169 N174 Y175 L176 | S159-C172 PolarHBondContact OG-SG 2.97Å; I161-C172 HydrophobicContact CB-CB 4.32Å; I161-C172 HydrophobicContact CG2-CB 4.26Å; I163-C172 HydrophobicContact CD1-CB 4.11Å; I163-C172 HydrophobicContact CG1-CB 4.15Å; S168-C172 WeakPolarHBondContact O-CB 3.48Å; S168-C172 PolarHBondContact O-N 2.86Å; A169-C172 WeakPolarHBondContact O-CB 3.22Å; A169-C172 PolarHBondContact O-N 2.8Å; C172-N174 VanDerWaalsContact C-N 3.34Å; C172-N174 PolarHBondContact O-N 2.86Å; C172-Y175 WeakPolarHBondContact O-CB 3.45Å; C172-Y175 PolarHBondContact O-N 3.18Å; C172-L176 WeakPolarHBondContact O-CG 3.48Å; C172-L176 PolarHBondContact O-N 3.16Å |
| 173 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | 174.6 | -76.7 | 171.5 | 0 | 0 | 0 | 111.6 | A169 L170 Y175 L176 H177 V185 I187 | A169-I173 WeakPolarHBondContact O-CG1 3.5Å; A169-I173 PolarHBondContact O-N 2.85Å; L170-I173 HydrophobicContact CD2-CD1 4.42Å; L170-I173 PolarHBondContact O-N 2.93Å; I173-Y175 VanDerWaalsContact C-N 3.31Å; I173-Y175 PolarHBondContact O-N 3.19Å; I173-L176 PolarHBondContact O-N 2.92Å; I173-H177 VanDerWaalsContact CG2-CD2 3.48Å; I173-H177 WeakPolarHBondContact CG2-CD2 3.22Å; I173-H177 PolarHBondContact O-CD2 3.43Å; I173-H177 VanDerWaalsContact O-CD2 3.26Å; I173-H177 PolarHBondContact O-N 3.27Å; I173-V185 HydrophobicContact CB-CG1 4.47Å; I173-V185 HydrophobicContact CG1-CB 4.46Å; I173-V185 HydrophobicContact CG1-CG1 3.91Å; I173-V185 HydrophobicContact CG2-CB 4.3Å; I173-I187 HydrophobicContact CD1-CD1 3.99Å; I173-I187 HydrophobicContact CD1-CG1 4.13Å; I173-I187 HydrophobicContact CG1-CD1 3.71Å; I173-I187 HydrophobicContact CG1-CG1 3.97Å |
| 174 | N | 97.7 | Very high | 97.1 | Very high | 39 Ų | 39 | 51.5 Ų | 51.5 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | -179.9 | -70.4 | -18.7 | 0 | 0 | 0 | 112.3 | L170 N171 C172 K178 R237 | L170-N174 WeakPolarHBondContact O-CB 3.29Å; L170-N174 PolarHBondContact O-N 3.27Å; L170-N174 PolarHBondContact O-ND2 3.19Å; L170-N174 PolarHBondContact O-OD1 3.2Å; N171-N174 PolarHBondContact O-N 2.84Å; C172-N174 VanDerWaalsContact C-N 3.34Å; C172-N174 PolarHBondContact O-N 2.86Å; N174-K178 WeakPolarHBondContact O-CB 3.45Å; N174-K178 VanDerWaalsContact O-CG 3.31Å; N174-K178 WeakPolarHBondContact O-CG 3.4Å; N174-K178 PolarHBondContact O-N 2.98Å; N174-R237 PolarHBondContact OD1-NH1 3.19Å; N174-R237 PolarHBondContact OD1-NH2 2.62Å |
| 175 | Y | 98.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 46.6 Ų | 46.6 | 34% | 0.341 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 173.2 | 178.1 | -86.2 | 0 | 0 | 0 | 110.8 | I161 N171 C172 I173 H177 K178 K179 Y180 | I161-Y175 VanDerWaalsContact CD1-CB 3.48Å; I161-Y175 HydrophobicContact CD1-CD2 4.01Å; I161-Y175 HydrophobicContact CD1-CG 3.78Å; N171-Y175 PolarHBondContact O-N 3.05Å; C172-Y175 WeakPolarHBondContact O-CB 3.45Å; C172-Y175 PolarHBondContact O-N 3.18Å; I173-Y175 VanDerWaalsContact C-N 3.31Å; I173-Y175 PolarHBondContact O-N 3.19Å; Y175-H177 PolarHBondContact O-N 3.23Å; Y175-K178 PolarHBondContact O-N 3Å; Y175-K179 HydrophobicContact CD1-CB 4.17Å; Y175-K179 HydrophobicContact CE1-CB 3.84Å; Y175-K179 HydrophobicContact CE1-CG 3.89Å; Y175-K179 WeakPolarHBondContact O-CB 3.5Å; Y175-K179 PolarHBondContact O-N 3.37Å; Y175-Y180 HydrophobicContact CE1-CE2 4.25Å |
| 176 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | -179.4 | -67.5 | 167.6 | 0 | 0 | 0 | 112 | I148 L158 C172 I173 Y180 V185 | I148-L176 HydrophobicContact CD1-CD1 4.05Å; L158-L176 HydrophobicContact CB-CD2 4.39Å; C172-L176 WeakPolarHBondContact O-CG 3.48Å; C172-L176 PolarHBondContact O-N 3.16Å; I173-L176 PolarHBondContact O-N 2.92Å; L176-Y180 HydrophobicContact CD2-CD2 3.93Å; L176-Y180 HydrophobicContact CD2-CE2 3.87Å; L176-Y180 PolarHBondContact O-N 3.4Å; L176-V185 HydrophobicContact CB-CG1 4.37Å; L176-V185 HydrophobicContact CB-CG2 4Å; L176-V185 HydrophobicContact CD1-CG1 3.84Å |
| 177 | H | 97.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.3 | -51.6 | 171.9 | -77.2 | -56.1 | 0 | 0 | 0 | 111.8 | I173 Y175 H181 I182 P183 S203 Y235 | I173-H177 VanDerWaalsContact CG2-CD2 3.48Å; I173-H177 WeakPolarHBondContact CG2-CD2 3.22Å; I173-H177 PolarHBondContact O-CD2 3.43Å; I173-H177 VanDerWaalsContact O-CD2 3.26Å; I173-H177 PolarHBondContact O-N 3.27Å; Y175-H177 PolarHBondContact O-N 3.23Å; H177-H181 WeakPolarHBondContact O-CA 3.33Å; H177-H181 PolarHBondContact O-N 3.33Å; H177-I182 PolarHBondContact ND1-O 3.45Å; H177-P183 PolarHBondContact CE1-O 2.82Å; H177-S203 PolarHBondContact CE1-O 2.68Å; H177-S203 WeakPolarHBondContact NE2-CB 3.43Å; H177-S203 PolarHBondContact NE2-OG 2.9Å; H177-Y235 HydrophobicContact CB-CE1 4.25Å; H177-Y235 AromaticContact CD2-CD1 3.98Å; H177-Y235 AromaticContact CD2-CE1 3.67Å; H177-Y235 AromaticContact CE1-CE1 3.97Å; H177-Y235 AromaticContact CG-CE1 3.74Å; H177-Y235 AromaticContact ND1-CE1 3.9Å; H177-Y235 AromaticContact NE2-CD1 3.75Å; H177-Y235 AromaticContact NE2-CE1 3.84Å |
| 178 | K | 97 | Very high | 97.8 | Very high | 135 Ų | 135 | 35.6 Ų | 35.6 | 59% | 0.587 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -75.2 | -41.5 | -173.3 | -71 | 177.2 | -179.8 | -176.9 | 0 | 113.5 | N174 Y175 | N174-K178 WeakPolarHBondContact O-CB 3.45Å; N174-K178 VanDerWaalsContact O-CG 3.31Å; N174-K178 WeakPolarHBondContact O-CG 3.4Å; N174-K178 PolarHBondContact O-N 2.98Å; Y175-K178 PolarHBondContact O-N 3Å |
| 179 | K | 97.9 | Very high | 97.6 | Very high | 119 Ų | 119 | 36.7 Ų | 36.7 | 52% | 0.517 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71.9 | -42.6 | -175.1 | 178.2 | 61.5 | 179.6 | 177.9 | 0 | 111.6 | Y175 | Y175-K179 HydrophobicContact CD1-CB 4.17Å; Y175-K179 HydrophobicContact CE1-CB 3.84Å; Y175-K179 HydrophobicContact CE1-CG 3.89Å; Y175-K179 WeakPolarHBondContact O-CB 3.5Å; Y175-K179 PolarHBondContact O-N 3.37Å |
| 180 | Y | 97.7 | Very high | 97.4 | Very high | 20 Ų | 20 | 36.8 Ų | 36.8 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -110.5 | -1.5 | -172.3 | -57.9 | -68.4 | 0 | 0 | 0 | 113.6 | Q138 L142 P143 Y175 L176 I182 | Q138-Y180 HydrophobicContact CB-CE1 4.46Å; Q138-Y180 WeakPolarHBondContact CG-OH 3.21Å; Q138-Y180 WeakPolarHBondContact O-CE1 3.32Å; L142-Y180 HydrophobicContact CB-CD1 3.7Å; L142-Y180 HydrophobicContact CB-CD2 4.19Å; L142-Y180 HydrophobicContact CB-CE1 4.14Å; L142-Y180 HydrophobicContact CB-CG 3.73Å; L142-Y180 HydrophobicContact CD1-CD1 4.35Å; L142-Y180 HydrophobicContact CD1-CD2 3.75Å; L142-Y180 HydrophobicContact CD1-CE1 4.17Å; L142-Y180 HydrophobicContact CD1-CE2 3.54Å; L142-Y180 HydrophobicContact CD1-CG 4.15Å; P143-Y180 HydrophobicContact CG-CD1 4.29Å; Y175-Y180 HydrophobicContact CE1-CE2 4.25Å; L176-Y180 HydrophobicContact CD2-CD2 3.93Å; L176-Y180 HydrophobicContact CD2-CE2 3.87Å; L176-Y180 PolarHBondContact O-N 3.4Å; Y180-I182 HydrophobicContact CD2-CD1 4.47Å; Y180-I182 HydrophobicContact CG-CD1 4.41Å; Y180-I182 PolarHBondContact O-N 3.34Å |
| 181 | H | 96.9 | Very high | 96.8 | Very high | 158 Ų | 158 | 40 Ų | 40 | 73% | 0.731 | 20% | 0.195 | S | C | * | . | trans | 59.7 | 26.6 | -178.6 | -53.4 | 85 | 0 | 0 | 0 | 113.9 | H177 P183 | H177-H181 WeakPolarHBondContact O-CA 3.33Å; H177-H181 PolarHBondContact O-N 3.33Å; H181-P183 VanDerWaalsContact O-CD 3.24Å; H181-P183 WeakPolarHBondContact O-CD 3.06Å | ||
| 182 | I | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | trans | -74.1 | 119.8 | -178 | -59.5 | 167.9 | 0 | 0 | 0 | 108.5 | L142 I148 H177 Y180 T184 V185 | L142-I182 HydrophobicContact CB-CD1 4.24Å; L142-I182 HydrophobicContact CD2-CD1 4.11Å; I148-I182 HydrophobicContact CD1-CD1 3.73Å; I148-I182 HydrophobicContact CG1-CD1 4.25Å; I148-I182 HydrophobicContact CG1-CG2 4.29Å; I148-I182 HydrophobicContact CG2-CD1 3.93Å; I148-I182 HydrophobicContact CG2-CG2 4.28Å; H177-I182 PolarHBondContact ND1-O 3.45Å; Y180-I182 HydrophobicContact CD2-CD1 4.47Å; Y180-I182 HydrophobicContact CG-CD1 4.41Å; Y180-I182 PolarHBondContact O-N 3.34Å; I182-T184 VanDerWaalsContact CG2-O 3.26Å; I182-T184 WeakPolarHBondContact CG2-O 3.25Å; I182-T184 PolarHBondContact O-N 3.3Å; I182-V185 HydrophobicContact CB-CG2 4.25Å; I182-V185 HydrophobicContact CG2-CG2 4.04Å | ||
| 183 | P | 97.5 | Very high | 94.7 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 21% | 0.208 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -66.7 | -31.2 | -178.9 | -25.4 | 36.3 | 0 | 0 | 0 | 114.9 | D146 H177 H181 R204 L205 | D146-P183 WeakPolarHBondContact O-CD 3.44Å; H177-P183 PolarHBondContact CE1-O 2.82Å; H181-P183 VanDerWaalsContact O-CD 3.24Å; H181-P183 WeakPolarHBondContact O-CD 3.06Å; P183-R204 WeakPolarHBondContact O-CA 3.39Å; P183-L205 PolarHBondContact O-N 2.85Å |
| 184 | T | 98.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 123 | -178.1 | -47.1 | 0 | 0 | 0 | 0 | 111.4 | D146 V147 I148 I182 I186 S203 R204 F281 | D146-T184 PolarHBondContact O-N 3.14Å; D146-T184 VanDerWaalsContact O-N 3.09Å; V147-T184 VanDerWaalsContact CA-O 3.32Å; V147-T184 WeakPolarHBondContact CA-O 3.34Å; V147-T184 HydrophobicContact CG1-CG2 3.99Å; I148-T184 PolarHBondContact N-O 3Å; I148-T184 VanDerWaalsContact N-O 3.14Å; I182-T184 VanDerWaalsContact CG2-O 3.26Å; I182-T184 WeakPolarHBondContact CG2-O 3.25Å; I182-T184 PolarHBondContact O-N 3.3Å; T184-I186 HydrophobicContact CG2-CD1 3.68Å; T184-I186 HydrophobicContact CG2-CG1 4.08Å; T184-S203 CarbonylContact C-O 3.23Å; T184-S203 WeakPolarHBondContact CA-O 3.43Å; T184-R204 HydrophobicContact CG2-CB 4.17Å; T184-R204 HydrophobicContact CG2-CG 4.45Å; T184-F281 HydrophobicContact CG2-CE2 4.16Å; T184-F281 HydrophobicContact CG2-CZ 4.29Å |
| 185 | V | 98.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | I148 I173 L176 I182 S203 | I148-V185 HydrophobicContact CD1-CG1 3.99Å; I148-V185 HydrophobicContact CD1-CG2 4.18Å; I148-V185 HydrophobicContact CG1-CB 4.26Å; I148-V185 HydrophobicContact CG1-CG1 3.98Å; I148-V185 HydrophobicContact CG1-CG2 4.07Å; I173-V185 HydrophobicContact CB-CG1 4.47Å; I173-V185 HydrophobicContact CG1-CB 4.46Å; I173-V185 HydrophobicContact CG1-CG1 3.91Å; I173-V185 HydrophobicContact CG2-CB 4.3Å; L176-V185 HydrophobicContact CB-CG1 4.37Å; L176-V185 HydrophobicContact CB-CG2 4Å; L176-V185 HydrophobicContact CD1-CG1 3.84Å; I182-V185 HydrophobicContact CB-CG2 4.25Å; I182-V185 HydrophobicContact CG2-CG2 4.04Å; V185-S203 PolarHBondContact N-O 2.98Å; V185-S203 PolarHBondContact O-N 3.32Å |
| 186 | I | 98.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 105.8 | -179.2 | -48.5 | -57.8 | 0 | 0 | 0 | 109.2 | V147 I148 F149 P150 T184 T188 Y201 G202 F240 F256 F281 F285 | V147-I186 HydrophobicContact CG1-CG1 4.47Å; I148-I186 PolarHBondContact O-N 3.04Å; F149-I186 CarbonylContact C-O 3.51Å; F149-I186 WeakPolarHBondContact CA-O 3.27Å; F149-I186 HydrophobicContact CD1-CB 3.99Å; F149-I186 HydrophobicContact CD1-CG1 4.25Å; F149-I186 HydrophobicContact CD1-CG2 4.46Å; F149-I186 HydrophobicContact CE1-CB 4.38Å; F149-I186 HydrophobicContact CE1-CG1 4.14Å; P150-I186 WeakPolarHBondContact CD-O 3.33Å; T184-I186 HydrophobicContact CG2-CD1 3.68Å; T184-I186 HydrophobicContact CG2-CG1 4.08Å; I186-T188 PolarHBondContact O-N 2.93Å; I186-Y201 CarbonylContact C-O 3.58Å; I186-Y201 WeakPolarHBondContact CA-O 3.18Å; I186-G202 VanDerWaalsContact CD1-CA 3.46Å; I186-F240 HydrophobicContact CG2-CE2 3.63Å; I186-F240 HydrophobicContact CG2-CZ 3.9Å; I186-F256 HydrophobicContact CG2-CE1 3.84Å; I186-F256 HydrophobicContact CG2-CZ 3.94Å; I186-F281 HydrophobicContact CD1-CE2 4.47Å; I186-F281 HydrophobicContact CD1-CZ 3.98Å; I186-F285 HydrophobicContact CD1-CE1 4.21Å; I186-F285 HydrophobicContact CD1-CE2 3.96Å; I186-F285 HydrophobicContact CD1-CZ 3.36Å; I186-F285 HydrophobicContact CG1-CE1 4.36Å; I186-F285 HydrophobicContact CG1-CZ 3.88Å; I186-F285 HydrophobicContact CG2-CE1 4.11Å; I186-F285 HydrophobicContact CG2-CZ 4.32Å |
| 187 | I | 98.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 107.3 | 167.6 | -60.4 | -178.6 | 0 | 0 | 0 | 107.5 | P150 A155 I163 A169 I173 S189 T190 G200 Y201 | P150-I187 VanDerWaalsContact O-CA 3.29Å; P150-I187 WeakPolarHBondContact O-CA 3.48Å; A155-I187 HydrophobicContact CB-CD1 4.08Å; A155-I187 HydrophobicContact CB-CG1 4.21Å; I163-I187 HydrophobicContact CD1-CD1 3.74Å; A169-I187 HydrophobicContact CB-CD1 4.48Å; I173-I187 HydrophobicContact CD1-CD1 3.99Å; I173-I187 HydrophobicContact CD1-CG1 4.13Å; I173-I187 HydrophobicContact CG1-CD1 3.71Å; I173-I187 HydrophobicContact CG1-CG1 3.97Å; I187-S189 PolarHBondContact O-N 3.45Å; I187-T190 HydrophobicContact CG2-CG2 3.46Å; I187-T190 VanDerWaalsContact CG2-CG2 3.46Å; I187-G200 CarbonylContact O-C 3.37Å; I187-G200 VanDerWaalsContact O-CA 3.24Å; I187-G200 WeakPolarHBondContact O-CA 3.5Å; I187-Y201 PolarHBondContact N-O 3.21Å; I187-Y201 PolarHBondContact O-N 2.94Å |
| 188 | T | 97.1 | Very high | 89.9 | Confident | 24 Ų | 24 | 54 Ų | 54 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -37.8 | -168.2 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | F149 P150 N151 I186 F256 | F149-T188 HydrophobicContact CB-CG2 3.95Å; F149-T188 VanDerWaalsContact O-CG2 3.25Å; F149-T188 WeakPolarHBondContact O-CG2 3.36Å; P150-T188 PolarHBondContact O-N 2.7Å; P150-T188 PolarHBondContact O-OG1 3Å; N151-T188 WeakPolarHBondContact CA-OG1 3.35Å; I186-T188 PolarHBondContact O-N 2.93Å; T188-F256 HydrophobicContact CG2-CD1 3.92Å; T188-F256 HydrophobicContact CG2-CE1 3.9Å |
| 189 | S | 93.8 | Very high | 89.8 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 148.3 | 176.7 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | Q152 I187 Y199 | Q152-S189 WeakPolarHBondContact CB-O 3.47Å; Q152-S189 PolarHBondContact N-O 3.33Å; I187-S189 PolarHBondContact O-N 3.45Å; S189-Y199 CarbonylContact C-O 3.57Å; S189-Y199 WeakPolarHBondContact CA-O 3.32Å |
| 190 | T | 92.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 150.1 | 176.9 | 68.3 | 0 | 0 | 0 | 0 | 110.6 | Q152 I163 I187 I192 Y199 Y201 | Q152-T190 HydrophobicContact CB-CG2 4.19Å; Q152-T190 VanDerWaalsContact OE1-CA 3.26Å; I163-T190 HydrophobicContact CG2-CG2 4.34Å; I187-T190 HydrophobicContact CG2-CG2 3.46Å; I187-T190 VanDerWaalsContact CG2-CG2 3.46Å; T190-I192 HydrophobicContact CG2-CD1 4.34Å; T190-I192 WeakPolarHBondContact OG1-CD1 3.44Å; T190-Y199 WeakPolarHBondContact CA-O 3.49Å; T190-Y199 WeakPolarHBondContact CB-O 3.46Å; T190-Y199 PolarHBondContact N-O 3.16Å; T190-Y199 PolarHBondContact O-N 3.2Å; T190-Y199 PolarHBondContact OG1-O 2.98Å; T190-Y201 HydrophobicContact CG2-CD2 4.08Å; T190-Y201 HydrophobicContact CG2-CE2 3.92Å |
| 191 | N | 84.4 | Confident | 89.7 | Confident | 103 Ų | 103 | 43.5 Ų | 43.5 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | trans | -103.2 | 32 | -178.9 | -68.7 | -34.4 | 0 | 0 | 0 | 112.2 | T193 | N191-T193 PolarHBondContact O-N 3.45Å; N191-T193 VanDerWaalsContact O-N 3.16Å | ||
| 192 | I | 81 | Confident | 89.8 | Confident | 41 Ų | 41 | 36 Ų | 36 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | trans | -60 | -27.1 | -174.4 | -70.8 | 164.5 | 0 | 0 | 0 | 112.9 | I163 D165 A169 T190 Y201 | I163-I192 HydrophobicContact CG2-CD1 3.89Å; I163-I192 HydrophobicContact CG2-CG1 4.08Å; D165-I192 VanDerWaalsContact C-CD1 3.5Å; A169-I192 HydrophobicContact CB-CD1 4.39Å; T190-I192 HydrophobicContact CG2-CD1 4.34Å; T190-I192 WeakPolarHBondContact OG1-CD1 3.44Å; I192-Y201 HydrophobicContact CD1-CE2 3.76Å; I192-Y201 WeakPolarHBondContact CD1-OH 3.06Å | ||
| 193 | T | 70.5 | Confident | 89.8 | Confident | 60 Ų | 60 | 36 Ų | 36 | 37% | 0.368 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -127.1 | 139.3 | -178.7 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | N191 S195 Y199 | N191-T193 PolarHBondContact O-N 3.45Å; N191-T193 VanDerWaalsContact O-N 3.16Å; T193-S195 PolarHBondContact O-N 2.93Å; T193-S195 VanDerWaalsContact OG1-CB 3.25Å; T193-S195 WeakPolarHBondContact OG1-CB 3.44Å; T193-Y199 HydrophobicContact CG2-CD2 4.41Å; T193-Y199 HydrophobicContact CG2-CE2 4Å; T193-Y199 WeakPolarHBondContact OG1-CE2 3.5Å |
| 194 | C | 63.3 | Low | 89.8 | Confident | 154 Ų | 154 | 37.9 Ų | 37.9 | 100% | 1.041 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -72.1 | 52 | 166.2 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 195 | S | 65.9 | Low | 89.6 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -108.7 | 155.6 | -175.3 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | T193 V197 | T193-S195 PolarHBondContact O-N 2.93Å; T193-S195 VanDerWaalsContact OG1-CB 3.25Å; T193-S195 WeakPolarHBondContact OG1-CB 3.44Å; S195-V197 PolarHBondContact O-N 2.77Å; S195-V197 PolarHBondContact OG-N 2.91Å |
| 196 | P | 80.8 | Confident | 88.9 | Confident | 103 Ų | 103 | 40.9 Ų | 40.9 | 67% | 0.669 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -64.4 | 8.4 | 166.6 | 30.3 | -38.2 | 0 | 0 | 0 | 113.6 | H244 | P196-H244 VanDerWaalsContact O-CB 3.31Å; P196-H244 WeakPolarHBondContact O-CB 3.33Å; P196-H244 PolarHBondContact O-N 3.37Å |
| 197 | V | 87.5 | Confident | 87.3 | Confident | 35 Ų | 35 | 45.5 Ų | 45.5 | 21% | 0.212 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 127 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | S195 K241 I242 | S195-V197 PolarHBondContact O-N 2.77Å; S195-V197 PolarHBondContact OG-N 2.91Å; V197-K241 HydrophobicContact CG1-CB 4.08Å; V197-I242 CarbonylContact C-O 3.57Å; V197-I242 WeakPolarHBondContact CA-O 3.26Å |
| 198 | M | 91.2 | Very high | 85 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 147 | 165.9 | -65.7 | -176.9 | -63.6 | 0 | 0 | 109.5 | I242 | M198-I242 HydrophobicContact CB-CB 4.43Å; M198-I242 HydrophobicContact CE-CG2 4.43Å; M198-I242 PolarHBondContact N-O 2.68Å; M198-I242 PolarHBondContact O-N 3.38Å |
| 199 | Y | 94.9 | Very high | 82.6 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 19% | 0.192 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 143 | 176.8 | -71.6 | -83.2 | 0 | 0 | 0 | 111 | S189 T190 T193 R239 F240 K241 | S189-Y199 CarbonylContact C-O 3.57Å; S189-Y199 WeakPolarHBondContact CA-O 3.32Å; T190-Y199 WeakPolarHBondContact CA-O 3.49Å; T190-Y199 WeakPolarHBondContact CB-O 3.46Å; T190-Y199 PolarHBondContact N-O 3.16Å; T190-Y199 PolarHBondContact O-N 3.2Å; T190-Y199 PolarHBondContact OG1-O 2.98Å; T193-Y199 HydrophobicContact CG2-CD2 4.41Å; T193-Y199 HydrophobicContact CG2-CE2 4Å; T193-Y199 WeakPolarHBondContact OG1-CE2 3.5Å; Y199-R239 HydrophobicContact CD1-CG 3.9Å; Y199-R239 HydrophobicContact CE1-CG 4.42Å; Y199-F240 VanDerWaalsContact CA-O 3.31Å; Y199-F240 WeakPolarHBondContact CA-O 3.32Å; Y199-F240 WeakPolarHBondContact CD1-O 3.27Å; Y199-K241 HydrophobicContact CD1-CG 4.2Å; Y199-K241 HydrophobicContact CE1-CD 4.48Å; Y199-K241 HydrophobicContact CE1-CG 3.71Å |
| 200 | G | 96.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 169.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I187 F240 | I187-G200 CarbonylContact O-C 3.37Å; I187-G200 VanDerWaalsContact O-CA 3.24Å; I187-G200 WeakPolarHBondContact O-CA 3.5Å; G200-F240 PolarHBondContact N-O 3.44Å; G200-F240 PolarHBondContact O-N 3.14Å |
| 201 | Y | 98 | Very high | 77.5 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 127 | -173.8 | -57.7 | -76.3 | 0 | 0 | 0 | 110.4 | E166 A169 I186 I187 T190 I192 V238 R239 M340 | E166-Y201 HydrophobicContact CB-CE1 4.32Å; E166-Y201 WeakPolarHBondContact CB-OH 3.4Å; E166-Y201 HydrophobicContact CG-CE1 3.67Å; E166-Y201 WeakPolarHBondContact OE2-CE1 3.33Å; A169-Y201 HydrophobicContact CB-CD2 3.62Å; A169-Y201 HydrophobicContact CB-CE2 3.58Å; A169-Y201 HydrophobicContact CB-CG 4.38Å; I186-Y201 CarbonylContact C-O 3.58Å; I186-Y201 WeakPolarHBondContact CA-O 3.18Å; I187-Y201 PolarHBondContact N-O 3.21Å; I187-Y201 PolarHBondContact O-N 2.94Å; T190-Y201 HydrophobicContact CG2-CD2 4.08Å; T190-Y201 HydrophobicContact CG2-CE2 3.92Å; I192-Y201 HydrophobicContact CD1-CE2 3.76Å; I192-Y201 WeakPolarHBondContact CD1-OH 3.06Å; Y201-V238 WeakPolarHBondContact CA-O 3.39Å; Y201-R239 HydrophobicContact CD1-CB 4.46Å; Y201-R239 HydrophobicContact CD1-CG 4.36Å; Y201-R239 HydrophobicContact CE1-CB 4.47Å; Y201-R239 HydrophobicContact CE1-CG 3.97Å; Y201-M340 HydrophobicContact CD1-CE 4.41Å; Y201-M340 HydrophobicContact CD1-SD 4.08Å; Y201-M340 HydrophobicContact CE1-CE 4.49Å |
| 202 | G | 97.9 | Very high | 75.3 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I186 R237 V238 | I186-G202 VanDerWaalsContact CD1-CA 3.46Å; G202-R237 WeakPolarHBondContact O-CA 3.38Å; G202-V238 PolarHBondContact N-O 3.36Å; G202-V238 PolarHBondContact O-N 3.32Å |
| 203 | S | 98 | Very high | 73.4 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 130.1 | 174.4 | 177.7 | 0 | 0 | 0 | 0 | 110 | H177 T184 V185 D236 | H177-S203 PolarHBondContact CE1-O 2.68Å; H177-S203 WeakPolarHBondContact NE2-CB 3.43Å; H177-S203 PolarHBondContact NE2-OG 2.9Å; T184-S203 CarbonylContact C-O 3.23Å; T184-S203 WeakPolarHBondContact CA-O 3.43Å; V185-S203 PolarHBondContact N-O 2.98Å; V185-S203 PolarHBondContact O-N 3.32Å; S203-D236 WeakPolarHBondContact CA-O 3.42Å |
| 204 | R | 96.9 | Very high | 71.8 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.6 | -179.9 | -178.6 | 178.9 | 70.5 | -179.7 | 4.3 | 110.8 | P183 T184 N206 Y235 D236 F281 | P183-R204 WeakPolarHBondContact O-CA 3.39Å; T184-R204 HydrophobicContact CG2-CB 4.17Å; T184-R204 HydrophobicContact CG2-CG 4.45Å; R204-N206 PolarHBondContact O-N 2.88Å; R204-Y235 CarbonylContact O-C 3.52Å; R204-Y235 VanDerWaalsContact O-CA 3.26Å; R204-Y235 WeakPolarHBondContact O-CA 3.34Å; R204-D236 IonicContact CZ-OD2 2.72Å; R204-D236 PolarHBondContact N-O 2.89Å; R204-D236 IonicContact NE-OD2 2.82Å; R204-D236 IonicContact NH2-OD2 3.5Å; R204-D236 PolarHBondContact NH2-OD2 2.96Å; R204-D236 PolarHBondContact O-N 3.44Å; R204-F281 HydrophobicContact CB-CD2 4.22Å; R204-F281 HydrophobicContact CB-CE1 4.04Å; R204-F281 HydrophobicContact CB-CE2 3.62Å; R204-F281 HydrophobicContact CB-CZ 3.52Å; R204-F281 HydrophobicContact CG-CE2 4.32Å |
| 205 | L | 94.2 | Very high | 70.3 | Confident | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 130 | 176 | -175.2 | 68.6 | 0 | 0 | 0 | 111.3 | P183 S207 E234 Y235 | P183-L205 PolarHBondContact O-N 2.85Å; L205-S207 PolarHBondContact O-N 2.88Å; L205-E234 HydrophobicContact CD1-CG 3.84Å; L205-Y235 HydrophobicContact CB-CD1 4.26Å; L205-Y235 HydrophobicContact CB-CE1 4.12Å; L205-Y235 HydrophobicContact CD1-CD1 4.2Å; L205-Y235 HydrophobicContact CD1-CE1 3.68Å |
| 206 | N | 85.2 | Confident | 68.7 | Low | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.123 | 42% | 0.417 | C | S | . | . | trans | -68.2 | 129.9 | -179.5 | -72.4 | -10.8 | 0 | 0 | 0 | 111.4 | R204 L208 M209 S233 E234 D236 | R204-N206 PolarHBondContact O-N 2.88Å; N206-L208 PolarHBondContact O-N 3.1Å; N206-L208 VanDerWaalsContact O-N 3.07Å; N206-M209 PolarHBondContact O-N 2.93Å; N206-S233 PolarHBondContact ND2-O 3.47Å; N206-E234 WeakPolarHBondContact CB-O 3.47Å; N206-E234 PolarHBondContact N-O 2.9Å; N206-D236 PolarHBondContact OD1-N 2.93Å; N206-D236 PolarHBondContact OD1-OD1 3.48Å; N206-D236 PolarHBondContact OD1-OD2 3.32Å | ||
| 207 | S | 64.1 | Low | 66.2 | Low | 97 Ų | 97 | 73.4 Ų | 73.4 | 68% | 0.678 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -62 | -21.1 | -175.9 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | L205 M209 K210 | L205-S207 PolarHBondContact O-N 2.88Å; S207-M209 PolarHBondContact O-N 3.04Å; S207-K210 PolarHBondContact O-N 3.18Å |
| 208 | L | 51.5 | Low | 63.6 | Low | 144 Ų | 144 | 76.2 Ų | 76.2 | 75% | 0.754 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -59.5 | -26.7 | 178.9 | -72.9 | 163.1 | 0 | 0 | 0 | 113.1 | N206 | N206-L208 PolarHBondContact O-N 3.1Å; N206-L208 VanDerWaalsContact O-N 3.07Å |
| 209 | M | 44.8 | Very low | 60.7 | Low | 84 Ų | 84 | 81 Ų | 81 | 41% | 0.414 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -84.7 | -17.6 | 179.9 | -75 | -76.8 | -168.6 | 0 | 0 | 114 | N206 S207 N211 N212 | N206-M209 PolarHBondContact O-N 2.93Å; S207-M209 PolarHBondContact O-N 3.04Å; M209-N211 PolarHBondContact O-N 3.35Å; M209-N211 VanDerWaalsContact O-N 3.13Å; M209-N212 PolarHBondContact O-N 3.43Å |
| 210 | K | 44.3 | Very low | 57.8 | Low | 144 Ų | 144 | 86.3 Ų | 86.3 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -62.2 | -22.8 | 179.6 | -83.6 | -170.1 | 174.4 | -173.7 | 0 | 113.1 | S207 | S207-K210 PolarHBondContact O-N 3.18Š|
| 211 | N | 35.3 | Very low | 54.6 | Low | 136 Ų | 136 | 94.4 Ų | 94.4 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -90 | -11.6 | -179 | -73.3 | -6.9 | 0 | 0 | 0 | 114.7 | M209 | M209-N211 PolarHBondContact O-N 3.35Å; M209-N211 VanDerWaalsContact O-N 3.13Å |
| 212 | N | 39.1 | Very low | 51.5 | Low | 110 Ų | 110 | 99.9 Ų | 99.9 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -13.5 | -173.1 | -73.8 | -12.3 | 0 | 0 | 0 | 114.6 | M209 | M209-N212 PolarHBondContact O-N 3.43Š|
| 213 | N | 42 | Very low | 48.4 | Very low | 141 Ų | 141 | 107.6 Ų | 107.6 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -100.5 | 7.8 | -174.4 | -71.9 | -10.8 | 0 | 0 | 0 | 114.8 | S215 | N213-S215 VanDerWaalsContact C-N 3.3Å; N213-S215 PolarHBondContact O-N 3.42Å |
| 214 | S | 36.4 | Very low | 45.1 | Very low | 108 Ų | 108 | 113 Ų | 113 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -86 | 3.2 | 177.6 | -42.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 215 | S | 31.8 | Very low | 41.7 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 62% | 0.622 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -150.6 | 83.3 | -174.1 | 44.4 | 0 | 0 | 0 | 0 | 111 | N213 | N213-S215 VanDerWaalsContact C-N 3.3Å; N213-S215 PolarHBondContact O-N 3.42Å |
| 216 | S | 32.2 | Very low | 38.6 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | 160.5 | 102.3 | 142 | -73 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 217 | G | 28.7 | Very low | 36 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 88% | 0.876 | 73% | 0.727 | S | S | * | * | trans | -77.6 | 118.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 218 | S | 32 | Very low | 34.8 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | trans | -178.2 | 117.8 | 155.2 | 52.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 219 | D | 31.1 | Very low | 34.2 | Very low | 151 Ų | 151 | 119.8 Ų | 119.8 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | trans | 39.2 | 120.2 | 139.3 | -54.8 | -30.9 | 0 | 0 | 0 | 118.7 | ||||
| 220 | L | 34.5 | Very low | 33.9 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | -173.9 | 94.1 | 128.3 | -95.6 | 149.2 | 0 | 0 | 0 | 111.2 | |||||
| 221 | L | 28.9 | Very low | 34.2 | Very low | 170 Ų | 170 | 118.4 Ų | 118.4 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | trans | -65.4 | 119.2 | 147 | -77.8 | 149 | 0 | 0 | 0 | 108.2 | ||||
| 222 | N | 33.5 | Very low | 35.2 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | trans | -170.7 | 108.8 | 153.5 | -93.9 | -24.1 | 0 | 0 | 0 | 108.8 | ||||
| 223 | Q | 32.3 | Very low | 36.7 | Very low | 164 Ų | 164 | 115.4 Ų | 115.4 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | 75.2 | 102.7 | 98.4 | -77.2 | -172.3 | 39.1 | 0 | 0 | 115.1 | |||||
| 224 | T | 28 | Very low | 38.9 | Very low | 114 Ų | 114 | 111 Ų | 111 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | trans | 42 | 132 | 131 | 56.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 225 | N | 27.1 | Very low | 41.6 | Very low | 163 Ų | 163 | 106.8 Ų | 106.8 | 87% | 0.872 | 65% | 0.653 | S | S | * | * | trans | 90.3 | 121.7 | 160.9 | -60.3 | -22.3 | 0 | 0 | 0 | 117.7 | ||||
| 226 | G | 28.4 | Very low | 44.6 | Very low | 77 Ų | 77 | 105.5 Ų | 105.5 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | trans | 109.6 | 130.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 227 | S | 29.5 | Very low | 47.7 | Very low | 97 Ų | 97 | 101.1 Ų | 101.1 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | trans | 69.8 | 112.2 | 159.2 | -157.7 | 0 | 0 | 0 | 0 | 117.5 | T229 | S227-T229 PolarHBondContact O-N 3.27Š| ||
| 228 | V | 39.3 | Very low | 50.9 | Low | 97 Ų | 97 | 97.1 Ų | 97.1 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | trans | -65 | 83.1 | 156.5 | 179.8 | 0 | 0 | 0 | 0 | 106.6 | N230 | V228-N230 PolarHBondContact O-N 3.04Š| ||
| 229 | T | 38.4 | Very low | 54 | Low | 94 Ų | 94 | 95 Ų | 95 | 58% | 0.577 | 54% | 0.54 | S | S | * | . | trans | -72 | 121 | 168.5 | 51.4 | 0 | 0 | 0 | 0 | 107.4 | S227 N231 | S227-T229 PolarHBondContact O-N 3.27Å; T229-N231 PolarHBondContact O-N 3.48Å | ||
| 230 | N | 38.5 | Very low | 57.1 | Low | 135 Ų | 135 | 87.9 Ų | 87.9 | 72% | 0.722 | 50% | 0.502 | S | S | * | . | trans | -58.8 | 95.9 | 175 | -77.2 | -15.9 | 0 | 0 | 0 | 109.8 | V228 T232 | V228-N230 PolarHBondContact O-N 3.04Å; N230-T232 HydrophobicContact CB-CG2 4.24Å; N230-T232 PolarHBondContact O-N 3.45Å | ||
| 231 | N | 51.5 | Low | 60 | Low | 65 Ų | 65 | 83.6 Ų | 83.6 | 35% | 0.348 | 48% | 0.477 | S | S | . | . | trans | -70.8 | 38.6 | 173.2 | -88.9 | 23 | 0 | 0 | 0 | 112.1 | T229 S233 E234 | T229-N231 PolarHBondContact O-N 3.48Å; N231-S233 PolarHBondContact O-N 3.46Å; N231-S233 VanDerWaalsContact O-N 3.11Å; N231-E234 PolarHBondContact ND2-OE2 2.91Å; N231-E234 PolarHBondContact O-N 2.96Å | ||
| 232 | T | 56.5 | Low | 63 | Low | 88 Ų | 88 | 76.4 Ų | 76.4 | 54% | 0.54 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | -178.1 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | N230 | N230-T232 HydrophobicContact CB-CG2 4.24Å; N230-T232 PolarHBondContact O-N 3.45Å |
| 233 | S | 69.8 | Low | 65.7 | Low | 95 Ų | 95 | 73.1 Ų | 73.1 | 66% | 0.664 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -23.4 | 177.3 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | N206 N231 | N206-S233 PolarHBondContact ND2-O 3.47Å; N231-S233 PolarHBondContact O-N 3.46Å; N231-S233 VanDerWaalsContact O-N 3.11Å |
| 234 | E | 88.7 | Confident | 68.2 | Low | 49 Ų | 49 | 70 Ų | 70 | 23% | 0.229 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -27.9 | -170.9 | -169.1 | -171.8 | 162.7 | 0 | 0 | 112.7 | L205 N206 N231 | L205-E234 HydrophobicContact CD1-CG 3.84Å; N206-E234 WeakPolarHBondContact CB-O 3.47Å; N206-E234 PolarHBondContact N-O 2.9Å; N231-E234 PolarHBondContact ND2-OE2 2.91Å; N231-E234 PolarHBondContact O-N 2.96Å |
| 235 | Y | 93.5 | Very high | 71 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132 | -173.2 | -58.6 | -89.3 | 0 | 0 | 0 | 112 | H177 R204 L205 R237 | H177-Y235 HydrophobicContact CB-CE1 4.25Å; H177-Y235 AromaticContact CD2-CD1 3.98Å; H177-Y235 AromaticContact CD2-CE1 3.67Å; H177-Y235 AromaticContact CE1-CE1 3.97Å; H177-Y235 AromaticContact CG-CE1 3.74Å; H177-Y235 AromaticContact ND1-CE1 3.9Å; H177-Y235 AromaticContact NE2-CD1 3.75Å; H177-Y235 AromaticContact NE2-CE1 3.84Å; R204-Y235 CarbonylContact O-C 3.52Å; R204-Y235 VanDerWaalsContact O-CA 3.26Å; R204-Y235 WeakPolarHBondContact O-CA 3.34Å; L205-Y235 HydrophobicContact CB-CD1 4.26Å; L205-Y235 HydrophobicContact CB-CE1 4.12Å; L205-Y235 HydrophobicContact CD1-CD1 4.2Å; L205-Y235 HydrophobicContact CD1-CE1 3.68Å; Y235-R237 VanDerWaalsContact CD2-NH2 3.31Å; Y235-R237 PolarHBondContact O-N 3.07Å |
| 236 | D | 94 | Very high | 73.7 | Confident | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 120.9 | 162.2 | -70.9 | -28.2 | 0 | 0 | 0 | 107.8 | S203 R204 N206 F281 | S203-D236 WeakPolarHBondContact CA-O 3.42Å; R204-D236 IonicContact CZ-OD2 2.72Å; R204-D236 PolarHBondContact N-O 2.89Å; R204-D236 IonicContact NE-OD2 2.82Å; R204-D236 IonicContact NH2-OD2 3.5Å; R204-D236 PolarHBondContact NH2-OD2 2.96Å; R204-D236 PolarHBondContact O-N 3.44Å; N206-D236 PolarHBondContact OD1-N 2.93Å; N206-D236 PolarHBondContact OD1-OD1 3.48Å; N206-D236 PolarHBondContact OD1-OD2 3.32Å; D236-F281 HydrophobicContact CB-CD1 4.02Å; D236-F281 HydrophobicContact CB-CE1 4.5Å; D236-F281 WeakPolarHBondContact O-CE1 3.29Å |
| 237 | R | 96.8 | Very high | 76.4 | Confident | 25 Ų | 25 | 67 Ų | 67 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.1 | -178.2 | -67.4 | -175.7 | -168.6 | -109.9 | -10.1 | 112.5 | N174 G202 Y235 M340 | N174-R237 PolarHBondContact OD1-NH1 3.19Å; N174-R237 PolarHBondContact OD1-NH2 2.62Å; G202-R237 WeakPolarHBondContact O-CA 3.38Å; Y235-R237 VanDerWaalsContact CD2-NH2 3.31Å; Y235-R237 PolarHBondContact O-N 3.07Å; R237-M340 HydrophobicContact CB-CB 3.89Å; R237-M340 HydrophobicContact CB-CG 4.46Å; R237-M340 HydrophobicContact CB-SD 4.37Å; R237-M340 PolarHBondContact O-N 2.81Å; R237-M340 VanDerWaalsContact O-N 3.12Å |
| 238 | V | 97.2 | Very high | 79.2 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.3 | 177.4 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | Y201 G202 F240 F281 K282 F285 V337 E338 E339 | Y201-V238 WeakPolarHBondContact CA-O 3.39Å; G202-V238 PolarHBondContact N-O 3.36Å; G202-V238 PolarHBondContact O-N 3.32Å; V238-F240 HydrophobicContact CB-CE1 4.39Å; V238-F240 HydrophobicContact CG2-CD1 4.35Å; V238-F240 HydrophobicContact CG2-CE1 3.52Å; V238-F240 HydrophobicContact CG2-CZ 4.17Å; V238-F281 HydrophobicContact CG1-CD1 3.99Å; V238-F281 HydrophobicContact CG1-CE1 4.43Å; V238-F281 HydrophobicContact CG2-CD1 4.07Å; V238-F281 HydrophobicContact CG2-CE1 3.77Å; V238-K282 HydrophobicContact CG1-CB 4.19Å; V238-K282 HydrophobicContact CG1-CG 4.48Å; V238-F285 HydrophobicContact CG2-CD2 3.89Å; V238-F285 HydrophobicContact CG2-CE2 4.26Å; V238-V337 HydrophobicContact CB-CG1 3.68Å; V238-V337 HydrophobicContact CG1-CG1 3.94Å; V238-V337 HydrophobicContact CG2-CG1 4.27Å; V238-E338 CarbonylContact C-O 3.5Å; V238-E338 WeakPolarHBondContact CA-O 3.46Å; V238-E339 HydrophobicContact CG1-CG 4.43Å |
| 239 | R | 97.2 | Very high | 81.7 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 19% | 0.189 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.8 | 171.2 | -179.6 | -167.8 | -61.2 | 122.7 | 2.6 | 108.9 | E166 Y199 Y201 V337 E338 M340 | E166-R239 IonicContact OE1-CZ 2.71Å; E166-R239 IonicContact OE1-NE 3.69Å; E166-R239 IonicContact OE1-NH2 3.73Å; E166-R239 PolarHBondContact OE1-NH2 3.09Å; E166-R239 IonicContact OE2-CZ 2.87Å; E166-R239 IonicContact OE2-NE 2.88Å; E166-R239 PolarHBondContact OE2-NE 3.43Å; E166-R239 IonicContact OE2-NH2 2.68Å; E166-R239 PolarHBondContact OE2-NH2 2.94Å; Y199-R239 HydrophobicContact CD1-CG 3.9Å; Y199-R239 HydrophobicContact CE1-CG 4.42Å; Y201-R239 HydrophobicContact CD1-CB 4.46Å; Y201-R239 HydrophobicContact CD1-CG 4.36Å; Y201-R239 HydrophobicContact CE1-CB 4.47Å; Y201-R239 HydrophobicContact CE1-CG 3.97Å; R239-V337 WeakPolarHBondContact O-CA 3.47Å; R239-E338 HydrophobicContact CB-CB 4.47Å; R239-E338 IonicContact CZ-OE2 2.91Å; R239-E338 PolarHBondContact N-O 3.46Å; R239-E338 IonicContact NH1-OE2 2.73Å; R239-E338 PolarHBondContact NH1-OE2 3.26Å; R239-E338 PolarHBondContact O-N 2.84Å; R239-M340 HydrophobicContact CB-CG 4Å; R239-M340 HydrophobicContact CB-SD 3.89Å |
| 240 | F | 96.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.2 | 170.8 | -47.3 | -31.1 | 0 | 0 | 0 | 109.7 | I186 Y199 G200 V238 I242 F256 F285 L289 Y336 V337 | I186-F240 HydrophobicContact CG2-CE2 3.63Å; I186-F240 HydrophobicContact CG2-CZ 3.9Å; Y199-F240 VanDerWaalsContact CA-O 3.31Å; Y199-F240 WeakPolarHBondContact CA-O 3.32Å; Y199-F240 WeakPolarHBondContact CD1-O 3.27Å; G200-F240 PolarHBondContact N-O 3.44Å; G200-F240 PolarHBondContact O-N 3.14Å; V238-F240 HydrophobicContact CB-CE1 4.39Å; V238-F240 HydrophobicContact CG2-CD1 4.35Å; V238-F240 HydrophobicContact CG2-CE1 3.52Å; V238-F240 HydrophobicContact CG2-CZ 4.17Å; F240-I242 HydrophobicContact CB-CD1 4.01Å; F240-I242 HydrophobicContact CB-CG1 3.86Å; F240-F256 HydrophobicContact CE2-CE2 4.5Å; F240-F256 AromaticContact CE2-CZ 3.93Å; F240-F256 HydrophobicContact CE2-CZ 3.93Å; F240-F256 HydrophobicContact CZ-CZ 4.42Å; F240-F285 HydrophobicContact CD1-CB 4.29Å; F240-F285 HydrophobicContact CD1-CG 4.48Å; F240-F285 HydrophobicContact CE1-CB 3.6Å; F240-F285 AromaticContact CE1-CD1 3.73Å; F240-F285 HydrophobicContact CE1-CD1 3.73Å; F240-F285 AromaticContact CE1-CD2 3.77Å; F240-F285 HydrophobicContact CE1-CD2 3.77Å; F240-F285 HydrophobicContact CE1-CE1 4.4Å; F240-F285 HydrophobicContact CE1-CE2 4.41Å; F240-F285 AromaticContact CE1-CG 3.4Å; F240-F285 HydrophobicContact CE1-CG 3.4Å; F240-F285 VanDerWaalsContact CE1-CG 3.4Å; F240-F285 HydrophobicContact CE2-CD1 4.26Å; F240-F285 HydrophobicContact CE2-CE1 4.46Å; F240-F285 HydrophobicContact CZ-CB 4.21Å; F240-F285 AromaticContact CZ-CD1 3.41Å; F240-F285 HydrophobicContact CZ-CD1 3.41Å; F240-F285 VanDerWaalsContact CZ-CD1 3.41Å; F240-F285 AromaticContact CZ-CD2 3.93Å; F240-F285 HydrophobicContact CZ-CD2 3.93Å; F240-F285 AromaticContact CZ-CE1 3.69Å; F240-F285 HydrophobicContact CZ-CE1 3.69Å; F240-F285 HydrophobicContact CZ-CE2 4.16Å; F240-F285 AromaticContact CZ-CG 3.56Å; F240-F285 HydrophobicContact CZ-CG 3.56Å; F240-F285 HydrophobicContact CZ-CZ 4.08Å; F240-L289 HydrophobicContact CB-CD1 3.79Å; F240-L289 HydrophobicContact CD1-CD1 3.95Å; F240-L289 HydrophobicContact CG-CD1 3.85Å; F240-Y336 CarbonylContact C-O 3.58Å; F240-Y336 WeakPolarHBondContact CA-O 3.49Å; F240-V337 HydrophobicContact CD1-CG1 4.18Å; F240-V337 HydrophobicContact CD1-CG2 4.06Å; F240-V337 HydrophobicContact CE1-CG1 4.37Å |
| 241 | K | 94.2 | Very high | 87 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 97.2 | 170.2 | -73.6 | -179.1 | 171.2 | 179.4 | 0 | 107.6 | V197 Y199 P243 Y336 E338 | V197-K241 HydrophobicContact CG1-CB 4.08Å; Y199-K241 HydrophobicContact CD1-CG 4.2Å; Y199-K241 HydrophobicContact CE1-CD 4.48Å; Y199-K241 HydrophobicContact CE1-CG 3.71Å; K241-P243 WeakPolarHBondContact O-CD 3.42Å; K241-Y336 PolarHBondContact N-O 2.95Å; K241-Y336 WeakPolarHBondContact O-CD1 3.5Å; K241-E338 HydrophobicContact CD-CG 4.44Å; K241-E338 VanDerWaalsContact CE-OE1 3.28Å; K241-E338 WeakPolarHBondContact CE-OE1 3.48Å; K241-E338 WeakPolarHBondContact CE-OE2 3.22Å; K241-E338 IonicContact NZ-OE1 3.99Å; K241-E338 PolarHBondContact NZ-OE1 3.21Å; K241-E338 IonicContact NZ-OE2 2.67Å; K241-E338 PolarHBondContact NZ-OE2 3.46Å; K241-E338 VanDerWaalsContact NZ-OE2 3.13Å |
| 242 | I | 92.2 | Very high | 89.1 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.5 | -169.5 | -51.4 | 176 | 0 | 0 | 0 | 108.7 | V197 M198 F240 H244 L289 | V197-I242 CarbonylContact C-O 3.57Å; V197-I242 WeakPolarHBondContact CA-O 3.26Å; M198-I242 HydrophobicContact CB-CB 4.43Å; M198-I242 HydrophobicContact CE-CG2 4.43Å; M198-I242 PolarHBondContact N-O 2.68Å; M198-I242 PolarHBondContact O-N 3.38Å; F240-I242 HydrophobicContact CB-CD1 4.01Å; F240-I242 HydrophobicContact CB-CG1 3.86Å; I242-H244 PolarHBondContact O-N 3.03Å; I242-L289 HydrophobicContact CD1-CD2 3.92Å; I242-L289 HydrophobicContact CG1-CD1 4.4Å; I242-L289 HydrophobicContact CG1-CD2 4.04Å |
| 243 | P | 90.9 | Very high | 91 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 130.6 | 172.2 | -24.2 | 34.7 | 0 | 0 | 0 | 110.7 | K241 Q293 Y336 | K241-P243 WeakPolarHBondContact O-CD 3.42Å; P243-Q293 PolarHBondContact O-NE2 3.48Å; P243-Q293 VanDerWaalsContact O-NE2 3.15Å; P243-Y336 HydrophobicContact CG-CD1 4.3Å; P243-Y336 HydrophobicContact CG-CE1 3.82Å |
| 244 | H | 85.1 | Confident | 92.3 | Very high | 97 Ų | 97 | 49 Ų | 49 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -85.5 | 128.1 | -177.8 | -177.7 | -96.9 | 0 | 0 | 0 | 110.8 | P196 I242 | P196-H244 VanDerWaalsContact O-CB 3.31Å; P196-H244 WeakPolarHBondContact O-CB 3.33Å; P196-H244 PolarHBondContact O-N 3.37Å; I242-H244 PolarHBondContact O-N 3.03Å |
| 245 | F | 85.5 | Confident | 92.8 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 137.8 | 165.7 | -68.4 | -84 | 0 | 0 | 0 | 109.2 | Y247 F249 L296 L300 | F245-Y247 PolarHBondContact O-N 3.29Å; F245-F249 HydrophobicContact CB-CE2 3.96Å; F245-F249 HydrophobicContact CG-CE2 4.44Å; F245-L296 HydrophobicContact CD2-CB 3.87Å; F245-L296 HydrophobicContact CD2-CD1 3.69Å; F245-L296 HydrophobicContact CD2-CG 4.43Å; F245-L296 HydrophobicContact CE2-CB 3.52Å; F245-L296 HydrophobicContact CE2-CD1 3.82Å; F245-L296 HydrophobicContact CE2-CG 4.32Å; F245-L296 HydrophobicContact CZ-CB 4Å; F245-L300 HydrophobicContact CB-CD1 4.31Å; F245-L300 HydrophobicContact CD1-CD1 3.35Å; F245-L300 HydrophobicContact CE1-CD1 3.92Å; F245-L300 HydrophobicContact CG-CD1 4.08Å |
| 246 | N | 85 | Confident | 93 | Very high | 148 Ų | 148 | 46.4 Ų | 46.4 | 79% | 0.791 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -76.2 | 49.2 | 177.7 | -165.6 | 21.6 | 0 | 0 | 0 | 112.9 | ||
| 247 | Y | 85.3 | Confident | 93.2 | Very high | 97 Ų | 97 | 43.5 Ų | 43.5 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -148.2 | 141.7 | -178.1 | -77.5 | -89.6 | 0 | 0 | 0 | 110.1 | F245 F249 L300 I317 | F245-Y247 PolarHBondContact O-N 3.29Å; Y247-F249 HydrophobicContact CG-CZ 4.48Å; Y247-L300 HydrophobicContact CD1-CD2 4.08Å; Y247-L300 HydrophobicContact CD2-CD1 4.03Å; Y247-L300 HydrophobicContact CD2-CD2 3.43Å; Y247-L300 VanDerWaalsContact CD2-CD2 3.43Å; Y247-L300 HydrophobicContact CD2-CG 4.4Å; Y247-L300 HydrophobicContact CE1-CD2 4.25Å; Y247-L300 HydrophobicContact CE2-CD1 4.41Å; Y247-L300 HydrophobicContact CE2-CD2 3.62Å; Y247-L300 HydrophobicContact CG-CD2 3.67Å; Y247-I317 HydrophobicContact CD1-CG2 4.22Å |
| 248 | H | 87.3 | Confident | 93.3 | Very high | 123 Ų | 123 | 42.3 Ų | 42.3 | 57% | 0.569 | 22% | 0.215 | S | C | * | . | trans | -93.9 | 103.5 | 173.5 | -175.8 | 71.9 | 0 | 0 | 0 | 109.5 | I317 | H248-I317 VanDerWaalsContact O-CD1 3.29Å; H248-I317 WeakPolarHBondContact O-CD1 3.31Å | ||
| 249 | F | 92.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | trans | -91.5 | 145.5 | 174.2 | -59.3 | -87.2 | 0 | 0 | 0 | 110.1 | F245 Y247 T252 L296 T299 L300 I317 L319 | F245-F249 HydrophobicContact CB-CE2 3.96Å; F245-F249 HydrophobicContact CG-CE2 4.44Å; Y247-F249 HydrophobicContact CG-CZ 4.48Å; F249-T252 HydrophobicContact CB-CG2 3.73Å; F249-L296 HydrophobicContact CB-CD2 4.11Å; F249-L296 HydrophobicContact CD1-CD2 3.86Å; F249-L296 HydrophobicContact CD2-CD1 4.47Å; F249-L296 HydrophobicContact CD2-CD2 3.58Å; F249-L296 HydrophobicContact CE1-CD2 4.11Å; F249-L296 HydrophobicContact CE2-CD2 3.84Å; F249-L296 HydrophobicContact CG-CD2 3.57Å; F249-L296 HydrophobicContact CZ-CD2 4.08Å; F249-T299 HydrophobicContact CD1-CG2 4.47Å; F249-T299 HydrophobicContact CE1-CG2 3.96Å; F249-L300 HydrophobicContact CE1-CD2 4.11Å; F249-L300 HydrophobicContact CE1-CG 4.34Å; F249-L300 HydrophobicContact CZ-CD1 4.04Å; F249-L300 HydrophobicContact CZ-CD2 3.6Å; F249-L300 HydrophobicContact CZ-CG 3.68Å; F249-I317 HydrophobicContact CD1-CB 4.35Å; F249-I317 HydrophobicContact CE1-CB 4.26Å; F249-L319 HydrophobicContact CB-CD2 4.21Å; F249-L319 HydrophobicContact CD1-CD2 3.85Å; F249-L319 HydrophobicContact CG-CD2 4.28Å | ||
| 250 | I | 92.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -112.1 | 137.3 | 176.6 | -59.2 | 174.8 | 0 | 0 | 0 | 107.7 | V24 H51 | V24-I250 HydrophobicContact CG1-CB 4.45Å; V24-I250 HydrophobicContact CG1-CG2 3.67Å; H51-I250 HydrophobicContact CB-CG2 4.22Å; H51-I250 VanDerWaalsContact CE1-CD1 3.41Å; H51-I250 WeakPolarHBondContact CE1-CD1 3.49Å |
| 251 | G | 94.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 97.5 | -1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D254 L255 | G251-D254 WeakPolarHBondContact CA-OD2 3.2Å; G251-D254 PolarHBondContact O-N 3.28Å; G251-L255 PolarHBondContact O-N 2.94Å; G251-L255 VanDerWaalsContact O-N 3.1Å |
| 252 | T | 95.8 | Very high | 93.7 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 29% | 0.288 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66 | -36.9 | 178.6 | 48.2 | 0 | 0 | 0 | 0 | 113 | F249 L255 F256 L296 L319 | F249-T252 HydrophobicContact CB-CG2 3.73Å; T252-L255 PolarHBondContact O-N 2.89Å; T252-F256 WeakPolarHBondContact O-CB 3.37Å; T252-F256 PolarHBondContact O-N 3.26Å; T252-L296 HydrophobicContact CG2-CD2 3.83Å; T252-L319 HydrophobicContact CG2-CD1 4.21Å; T252-L319 HydrophobicContact CG2-CD2 4.45Å |
| 253 | G | 96.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 36 Ų | 36 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -48.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L255 F256 A257 | G253-L255 VanDerWaalsContact C-N 3.32Å; G253-L255 PolarHBondContact O-N 3.47Å; G253-F256 WeakPolarHBondContact O-CB 3.21Å; G253-F256 PolarHBondContact O-N 3.48Å; G253-F256 VanDerWaalsContact O-N 3.1Å; G253-A257 PolarHBondContact O-N 2.83Å |
| 254 | D | 97.7 | Very high | 94.1 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 10% | 0.096 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.6 | -44.2 | 176.7 | -55 | -51.2 | 0 | 0 | 0 | 111.6 | G25 I28 G251 A258 | G25-D254 VanDerWaalsContact N-CG 3.29Å; G25-D254 PolarHBondContact N-OD2 3.33Å; I28-D254 HydrophobicContact CG2-CB 3.36Å; G251-D254 WeakPolarHBondContact CA-OD2 3.2Å; G251-D254 PolarHBondContact O-N 3.28Å; D254-A258 WeakPolarHBondContact O-CB 3.48Å; D254-A258 PolarHBondContact O-N 2.82Å; D254-A258 VanDerWaalsContact O-N 3.08Å |
| 255 | L | 98.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 175.5 | -178.6 | 58.9 | 0 | 0 | 0 | 111.8 | I28 P32 G251 T252 G253 A258 L259 I292 V295 | I28-L255 HydrophobicContact CD1-CB 3.79Å; I28-L255 HydrophobicContact CD1-CD1 4.49Å; I28-L255 HydrophobicContact CD1-CD2 4.24Å; I28-L255 HydrophobicContact CD1-CG 4.39Å; I28-L255 HydrophobicContact CG1-CB 3.94Å; I28-L255 HydrophobicContact CG1-CD1 4.11Å; I28-L255 HydrophobicContact CG1-CG 4.46Å; P32-L255 HydrophobicContact CB-CD1 4.37Å; P32-L255 HydrophobicContact CG-CD1 3.59Å; G251-L255 PolarHBondContact O-N 2.94Å; G251-L255 VanDerWaalsContact O-N 3.1Å; T252-L255 PolarHBondContact O-N 2.89Å; G253-L255 VanDerWaalsContact C-N 3.32Å; G253-L255 PolarHBondContact O-N 3.47Å; L255-A258 PolarHBondContact O-N 2.89Å; L255-L259 HydrophobicContact CD1-CD1 3.8Å; L255-L259 HydrophobicContact CD1-CG 3.94Å; L255-L259 HydrophobicContact CG-CD1 3.86Å; L255-L259 HydrophobicContact CG-CG 4.38Å; L255-L259 WeakPolarHBondContact O-CB 3.35Å; L255-L259 WeakPolarHBondContact O-CG 3.26Å; L255-L259 PolarHBondContact O-N 3.49Å; L255-I292 HydrophobicContact CD2-CG1 4.12Å; L255-I292 HydrophobicContact CG-CG1 4.29Å; L255-V295 HydrophobicContact CD2-CG1 4.32Å; L255-V295 HydrophobicContact CD2-CG2 4.38Å |
| 256 | F | 98.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 5% | 0.048 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 178 | -177.9 | -82.6 | 0 | 0 | 0 | 111.4 | F149 I186 T188 F240 T252 G253 T260 F285 V288 L289 I292 | F149-F256 HydrophobicContact CD1-CD1 4.14Å; F149-F256 AromaticContact CD1-CE1 3.94Å; F149-F256 HydrophobicContact CD1-CE1 3.94Å; F149-F256 HydrophobicContact CE1-CE1 4.28Å; I186-F256 HydrophobicContact CG2-CE1 3.84Å; I186-F256 HydrophobicContact CG2-CZ 3.94Å; T188-F256 HydrophobicContact CG2-CD1 3.92Å; T188-F256 HydrophobicContact CG2-CE1 3.9Å; F240-F256 HydrophobicContact CE2-CE2 4.5Å; F240-F256 AromaticContact CE2-CZ 3.93Å; F240-F256 HydrophobicContact CE2-CZ 3.93Å; F240-F256 HydrophobicContact CZ-CZ 4.42Å; T252-F256 WeakPolarHBondContact O-CB 3.37Å; T252-F256 PolarHBondContact O-N 3.26Å; G253-F256 WeakPolarHBondContact O-CB 3.21Å; G253-F256 PolarHBondContact O-N 3.48Å; G253-F256 VanDerWaalsContact O-N 3.1Å; F256-T260 WeakPolarHBondContact CE1-OG1 3.43Å; F256-T260 VanDerWaalsContact O-CB 3.23Å; F256-T260 WeakPolarHBondContact O-CB 3.38Å; F256-T260 PolarHBondContact O-N 3.01Å; F256-T260 PolarHBondContact O-OG1 3.23Å; F256-F285 HydrophobicContact CE1-CE1 4.27Å; F256-F285 HydrophobicContact CE2-CD1 4.49Å; F256-F285 AromaticContact CZ-CD1 3.92Å; F256-F285 HydrophobicContact CZ-CD1 3.92Å; F256-F285 AromaticContact CZ-CE1 3.81Å; F256-F285 HydrophobicContact CZ-CE1 3.81Å; F256-V288 HydrophobicContact CD2-CG1 3.66Å; F256-V288 HydrophobicContact CE2-CG1 3.82Å; F256-V288 HydrophobicContact CG-CG1 4.25Å; F256-L289 HydrophobicContact CD2-CD2 4.35Å; F256-L289 HydrophobicContact CE2-CD2 3.9Å; F256-I292 HydrophobicContact CB-CD1 3.71Å; F256-I292 HydrophobicContact CD2-CD1 3.54Å; F256-I292 HydrophobicContact CG-CD1 4.09Å |
| 257 | A | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L86 F149 G253 T260 L261 | L86-A257 HydrophobicContact CD1-CB 4.08Å; F149-A257 HydrophobicContact CD2-CB 3.76Å; F149-A257 HydrophobicContact CE2-CB 3.88Å; F149-A257 HydrophobicContact CG-CB 4.21Å; F149-A257 HydrophobicContact CZ-CB 4.42Å; G253-A257 PolarHBondContact O-N 2.83Å; A257-T260 PolarHBondContact O-N 3.37Å; A257-L261 PolarHBondContact O-N 3.22Å |
| 258 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A29 L33 L86 D254 L255 T260 L261 A262 | A29-A258 HydrophobicContact CB-CB 3.89Å; L33-A258 HydrophobicContact CD1-CB 4.49Å; L33-A258 WeakPolarHBondContact CD2-O 3.25Å; L33-A258 HydrophobicContact CG-CB 4.23Å; L86-A258 HydrophobicContact CD2-CB 4.35Å; D254-A258 WeakPolarHBondContact O-CB 3.48Å; D254-A258 PolarHBondContact O-N 2.82Å; D254-A258 VanDerWaalsContact O-N 3.08Å; L255-A258 PolarHBondContact O-N 2.89Å; A258-T260 VanDerWaalsContact C-N 3.35Å; A258-L261 PolarHBondContact O-N 3.19Å; A258-A262 PolarHBondContact O-N 3.46Å; A258-A262 VanDerWaalsContact O-N 3.08Å |
| 259 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.6 | -68.5 | 173.5 | 0 | 0 | 0 | 111.1 | P32 L36 L255 L261 A262 H263 V288 T291 I292 I328 | P32-L259 HydrophobicContact CB-CD2 3.89Å; L36-L259 HydrophobicContact CD1-CD2 4.08Å; L255-L259 HydrophobicContact CD1-CD1 3.8Å; L255-L259 HydrophobicContact CD1-CG 3.94Å; L255-L259 HydrophobicContact CG-CD1 3.86Å; L255-L259 HydrophobicContact CG-CG 4.38Å; L255-L259 WeakPolarHBondContact O-CB 3.35Å; L255-L259 WeakPolarHBondContact O-CG 3.26Å; L255-L259 PolarHBondContact O-N 3.49Å; L259-L261 PolarHBondContact O-N 3.17Å; L259-A262 PolarHBondContact O-N 3.35Å; L259-H263 WeakPolarHBondContact O-CB 3.41Å; L259-H263 PolarHBondContact O-CD2 2.58Å; L259-H263 PolarHBondContact O-N 2.63Å; L259-V288 HydrophobicContact CB-CB 4.42Å; L259-V288 HydrophobicContact CB-CG1 4.1Å; L259-V288 HydrophobicContact CB-CG2 3.89Å; L259-T291 HydrophobicContact CD1-CG2 3.66Å; L259-T291 HydrophobicContact CD2-CG2 4.48Å; L259-I292 HydrophobicContact CD1-CG1 4.2Å; L259-I328 HydrophobicContact CD2-CG2 4.22Å |
| 260 | T | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 177.9 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | F149 F256 A257 A258 A262 H263 L264 F285 | F149-T260 HydrophobicContact CE1-CG2 3.72Å; F149-T260 HydrophobicContact CZ-CG2 4.08Å; F256-T260 WeakPolarHBondContact CE1-OG1 3.43Å; F256-T260 VanDerWaalsContact O-CB 3.23Å; F256-T260 WeakPolarHBondContact O-CB 3.38Å; F256-T260 PolarHBondContact O-N 3.01Å; F256-T260 PolarHBondContact O-OG1 3.23Å; A257-T260 PolarHBondContact O-N 3.37Å; A258-T260 VanDerWaalsContact C-N 3.35Å; T260-A262 PolarHBondContact O-N 3.15Å; T260-H263 PolarHBondContact O-N 2.82Å; T260-L264 HydrophobicContact CG2-CD1 3.5Å; T260-L264 HydrophobicContact CG2-CG 3.97Å; T260-L264 VanDerWaalsContact O-CB 3.31Å; T260-L264 WeakPolarHBondContact O-CB 3.32Å; T260-L264 VanDerWaalsContact O-CG 3.3Å; T260-L264 WeakPolarHBondContact O-CG 3.36Å; T260-L264 PolarHBondContact O-N 2.88Å; T260-F285 HydrophobicContact CG2-CE1 3.66Å; T260-F285 HydrophobicContact CG2-CZ 3.93Å |
| 261 | L | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.5 | -51.7 | 173.4 | -172.9 | 162.6 | 0 | 0 | 0 | 110.8 | V12 L33 I38 H84 L86 Y116 A257 A258 L259 H263 E265 | V12-L261 HydrophobicContact CG1-CD1 4.01Å; V12-L261 HydrophobicContact CG2-CD1 4.35Å; V12-L261 HydrophobicContact CG2-CD2 3.87Å; L33-L261 HydrophobicContact CD2-CD2 4.1Å; I38-L261 HydrophobicContact CD1-CD2 4.42Å; H84-L261 HydrophobicContact CB-CD1 4.34Å; L86-L261 HydrophobicContact CB-CD1 3.97Å; L86-L261 HydrophobicContact CD2-CD1 4.42Å; Y116-L261 HydrophobicContact CD1-CB 3.73Å; Y116-L261 HydrophobicContact CD1-CD1 4.1Å; Y116-L261 HydrophobicContact CD1-CG 3.98Å; Y116-L261 HydrophobicContact CD2-CD1 4.08Å; Y116-L261 HydrophobicContact CD2-CG 4.23Å; Y116-L261 HydrophobicContact CE1-CB 3.75Å; Y116-L261 HydrophobicContact CE1-CG 4.03Å; Y116-L261 HydrophobicContact CE2-CG 4.24Å; Y116-L261 HydrophobicContact CG-CB 4.35Å; Y116-L261 HydrophobicContact CG-CD1 3.86Å; Y116-L261 HydrophobicContact CG-CG 4.14Å; A257-L261 PolarHBondContact O-N 3.22Å; A258-L261 PolarHBondContact O-N 3.19Å; L259-L261 PolarHBondContact O-N 3.17Å; L261-H263 PolarHBondContact O-N 3.13Å; L261-E265 VanDerWaalsContact O-CB 3.31Å; L261-E265 WeakPolarHBondContact O-CB 3.39Å; L261-E265 VanDerWaalsContact O-CG 3.3Å; L261-E265 WeakPolarHBondContact O-CG 3.41Å; L261-E265 PolarHBondContact O-N 3.25Å; L261-E265 VanDerWaalsContact O-N 3.09Å |
| 262 | A | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L33 L36 I38 A258 L259 T260 T266 | L33-A262 HydrophobicContact CD2-CB 4.1Å; L36-A262 HydrophobicContact CB-CB 4.47Å; L36-A262 HydrophobicContact CD1-CB 3.51Å; I38-A262 HydrophobicContact CD1-CB 3.57Å; A258-A262 PolarHBondContact O-N 3.46Å; A258-A262 VanDerWaalsContact O-N 3.08Å; L259-A262 PolarHBondContact O-N 3.35Å; T260-A262 PolarHBondContact O-N 3.15Å; A262-T266 VanDerWaalsContact O-CB 3.28Å; A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 PolarHBondContact O-N 3Å; A262-T266 PolarHBondContact O-OG1 2.8Å |
| 263 | H | 95.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.1 | -31.9 | -174.1 | -77.6 | -101.7 | 0 | 0 | 0 | 113.1 | L259 T260 L261 Y279 A284 S287 V288 | L259-H263 WeakPolarHBondContact O-CB 3.41Å; L259-H263 PolarHBondContact O-CD2 2.58Å; L259-H263 PolarHBondContact O-N 2.63Å; T260-H263 PolarHBondContact O-N 2.82Å; L261-H263 PolarHBondContact O-N 3.13Å; H263-Y279 HydrophobicContact CB-CD2 4.02Å; H263-Y279 HydrophobicContact CB-CE2 4.27Å; H263-Y279 AromaticContact CE1-CE2 3.65Å; H263-Y279 AromaticContact CE1-CZ 3.86Å; H263-Y279 AromaticContact CG-CE2 3.86Å; H263-Y279 AromaticContact ND1-CD2 3.49Å; H263-Y279 WeakPolarHBondContact ND1-CD2 3.29Å; H263-Y279 AromaticContact ND1-CE2 2.97Å; H263-Y279 WeakPolarHBondContact ND1-CE2 3.49Å; H263-Y279 AromaticContact ND1-CZ 3.52Å; H263-Y279 WeakPolarHBondContact O-CD2 3.43Å; H263-A284 HydrophobicContact CB-CB 3.97Å; H263-S287 WeakPolarHBondContact CE1-CB 3.22Å; H263-S287 WeakPolarHBondContact ND1-CB 3.41Å; H263-V288 HydrophobicContact CB-CG2 4.25Å |
| 264 | L | 96.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -78 | -30.1 | 176.6 | -68.8 | -177.5 | 0 | 0 | 0 | 113.3 | T260 F281 A284 F285 | T260-L264 HydrophobicContact CG2-CD1 3.5Å; T260-L264 HydrophobicContact CG2-CG 3.97Å; T260-L264 VanDerWaalsContact O-CB 3.31Å; T260-L264 WeakPolarHBondContact O-CB 3.32Å; T260-L264 VanDerWaalsContact O-CG 3.3Å; T260-L264 WeakPolarHBondContact O-CG 3.36Å; T260-L264 PolarHBondContact O-N 2.88Å; L264-F281 HydrophobicContact CD2-CD2 3.84Å; L264-F281 HydrophobicContact CD2-CE2 4.27Å; L264-A284 HydrophobicContact CD2-CB 3.59Å; L264-A284 HydrophobicContact CG-CB 4.35Å; L264-F285 HydrophobicContact CD1-CZ 4.42Å |
| 265 | E | 95.6 | Very high | 93.6 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -99 | -22.5 | -171.7 | -59.8 | -61.7 | 163.7 | 0 | 0 | 114 | L10 H84 K114 Y116 L261 R267 | L10-E265 HydrophobicContact CD1-CB 4.03Å; L10-E265 HydrophobicContact CD2-CB 4.33Å; H84-E265 VanDerWaalsContact NE2-CD 3.26Å; H84-E265 VanDerWaalsContact NE2-CG 3.28Å; H84-E265 WeakPolarHBondContact NE2-CG 3.44Å; H84-E265 IonicContact NE2-OE1 2.81Å; H84-E265 IonicContact NE2-OE2 3.64Å; K114-E265 WeakPolarHBondContact CD-OE1 3.23Å; K114-E265 IonicContact NZ-OE1 3.82Å; K114-E265 PolarHBondContact NZ-OE1 2.87Å; K114-E265 IonicContact NZ-OE2 2.7Å; K114-E265 PolarHBondContact NZ-OE2 2.86Å; Y116-E265 HydrophobicContact CE2-CG 4.24Å; Y116-E265 VanDerWaalsContact OH-CG 3.31Å; Y116-E265 WeakPolarHBondContact OH-CG 3.34Å; Y116-E265 PolarHBondContact OH-OE1 3.31Å; L261-E265 VanDerWaalsContact O-CB 3.31Å; L261-E265 WeakPolarHBondContact O-CB 3.39Å; L261-E265 VanDerWaalsContact O-CG 3.3Å; L261-E265 WeakPolarHBondContact O-CG 3.41Å; L261-E265 PolarHBondContact O-N 3.25Å; L261-E265 VanDerWaalsContact O-N 3.09Å; E265-R267 PolarHBondContact O-N 3.12Å |
| 266 | T | 92.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 14% | 0.135 | 22% | 0.222 | C | C | . | . | trans | -62 | 128.4 | 178.4 | -61.3 | 0 | 0 | 0 | 0 | 111 | A262 K278 | A262-T266 VanDerWaalsContact O-CB 3.28Å; A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 PolarHBondContact O-N 3Å; A262-T266 PolarHBondContact O-OG1 2.8Å; T266-K278 HydrophobicContact CG2-CB 4.03Å; T266-K278 HydrophobicContact CG2-CD 3.7Å; T266-K278 HydrophobicContact CG2-CG 4.48Å; T266-K278 WeakPolarHBondContact O-CB 3.43Å; T266-K278 PolarHBondContact O-N 3.19Å | ||
| 267 | R | 92 | Very high | 93 | Very high | 78 Ų | 78 | 45 Ų | 45 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 153.6 | 173.4 | -54.3 | -58.4 | 171.3 | 159.6 | -8.3 | 110.7 | N8 E265 Q275 I276 | N8-R267 WeakPolarHBondContact ND2-CB 3.47Å; N8-R267 WeakPolarHBondContact ND2-CG 3.37Å; E265-R267 PolarHBondContact O-N 3.12Å; R267-Q275 HydrophobicContact CB-CB 4.4Å; R267-I276 CarbonylContact C-O 3.51Å; R267-I276 WeakPolarHBondContact CA-O 3.08Å; R267-I276 WeakPolarHBondContact CB-O 3.37Å; R267-I276 WeakPolarHBondContact CD-O 3.16Å |
| 268 | I | 90.3 | Very high | 92.6 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 18% | 0.179 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152 | 172.3 | 59.6 | 176.6 | 0 | 0 | 0 | 109 | V3 Q275 I276 K278 | V3-I268 HydrophobicContact CG1-CB 4.12Å; V3-I268 HydrophobicContact CG1-CG2 4.47Å; I268-Q275 WeakPolarHBondContact O-CA 3.41Å; I268-I276 HydrophobicContact CD1-CD1 4.46Å; I268-I276 HydrophobicContact CD1-CG1 4.47Å; I268-I276 HydrophobicContact CG1-CD1 4.28Å; I268-I276 HydrophobicContact CG1-CG1 3.77Å; I268-I276 PolarHBondContact N-O 3.15Å; I268-I276 WeakPolarHBondContact O-CG1 3.31Å; I268-I276 PolarHBondContact O-N 2.88Å; I268-K278 HydrophobicContact CG2-CB 3.98Å; I268-K278 HydrophobicContact CG2-CD 4.26Å; I268-K278 HydrophobicContact CG2-CG 3.91Å |
| 269 | E | 88.9 | Confident | 92.4 | Very high | 80 Ų | 80 | 51 Ų | 51 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.2 | 172.6 | -164.6 | 171.4 | 112.4 | 0 | 0 | 109.2 | A6 G273 Q274 Q275 | A6-E269 HydrophobicContact CB-CB 4.37Å; E269-G273 VanDerWaalsContact CG-CA 3.46Å; E269-Q274 WeakPolarHBondContact CA-O 3.49Å; E269-Q275 PolarHBondContact OE2-NE2 3.02Å |
| 270 | N | 87.8 | Confident | 92.1 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | trans | -78.6 | 176.6 | 172.2 | 72.5 | 9.1 | 0 | 0 | 0 | 111.4 | N272 G273 Q274 I276 | N270-N272 PolarHBondContact O-N 2.79Å; N270-N272 WeakPolarHBondContact OD1-CA 3.07Å; N270-N272 WeakPolarHBondContact OD1-CB 3.28Å; N270-N272 PolarHBondContact OD1-N 3.48Å; N270-G273 PolarHBondContact O-N 2.89Å; N270-G273 PolarHBondContact OD1-N 3.47Å; N270-Q274 PolarHBondContact N-O 3.17Å; N270-Q274 PolarHBondContact ND2-OE1 3.31Å; N270-Q274 WeakPolarHBondContact OD1-CB 3.44Å; N270-Q274 PolarHBondContact OD1-N 3.11Å; N270-Q274 PolarHBondContact OD1-O 2.88Å; N270-I276 HydrophobicContact CB-CD1 3.97Å; N270-I276 HydrophobicContact CB-CG1 4.33Å | ||
| 271 | E | 89.8 | Confident | 92 | Very high | 175 Ų | 175 | 53.9 Ų | 53.9 | 82% | 0.818 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19 | -179.7 | -61.4 | 179.2 | 175.8 | 0 | 0 | 114 | ||
| 272 | N | 89.7 | Confident | 91.8 | Very high | 134 Ų | 134 | 57 Ų | 57 | 72% | 0.717 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.9 | 178.7 | -59.9 | -39.3 | 0 | 0 | 0 | 113.6 | N270 Q274 | N270-N272 PolarHBondContact O-N 2.79Å; N270-N272 WeakPolarHBondContact OD1-CA 3.07Å; N270-N272 WeakPolarHBondContact OD1-CB 3.28Å; N270-N272 PolarHBondContact OD1-N 3.48Å; N272-Q274 VanDerWaalsContact C-N 3.3Å; N272-Q274 HydrophobicContact CB-CG 4.45Å; N272-Q274 PolarHBondContact O-N 3.45Å |
| 273 | G | 87 | Confident | 91.7 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 79.2 | 7.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E269 N270 | E269-G273 VanDerWaalsContact CG-CA 3.46Å; N270-G273 PolarHBondContact O-N 2.89Å; N270-G273 PolarHBondContact OD1-N 3.47Å |
| 274 | Q | 86.8 | Confident | 91.7 | Very high | 119 Ų | 119 | 60 Ų | 60 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | trans | -88.5 | 136.3 | -178.9 | -60.6 | 175.4 | -39.4 | 0 | 0 | 111.1 | E269 N270 N272 I276 | E269-Q274 WeakPolarHBondContact CA-O 3.49Å; N270-Q274 PolarHBondContact N-O 3.17Å; N270-Q274 PolarHBondContact ND2-OE1 3.31Å; N270-Q274 WeakPolarHBondContact OD1-CB 3.44Å; N270-Q274 PolarHBondContact OD1-N 3.11Å; N270-Q274 PolarHBondContact OD1-O 2.88Å; N272-Q274 VanDerWaalsContact C-N 3.3Å; N272-Q274 HydrophobicContact CB-CG 4.45Å; N272-Q274 PolarHBondContact O-N 3.45Å; Q274-I276 PolarHBondContact O-N 2.79Å | ||
| 275 | Q | 88.1 | Confident | 91.8 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 112.3 | 173.6 | -63.4 | -60.5 | -48.1 | 0 | 0 | 110.4 | R267 I268 E269 | R267-Q275 HydrophobicContact CB-CB 4.4Å; I268-Q275 WeakPolarHBondContact O-CA 3.41Å; E269-Q275 PolarHBondContact OE2-NE2 3.02Å |
| 276 | I | 90.2 | Very high | 91.9 | Very high | 70 Ų | 70 | 59 Ų | 59 | 36% | 0.359 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 160.6 | 177.9 | 61.5 | 167.6 | 0 | 0 | 0 | 110.9 | R267 I268 N270 Q274 K278 | R267-I276 CarbonylContact C-O 3.51Å; R267-I276 WeakPolarHBondContact CA-O 3.08Å; R267-I276 WeakPolarHBondContact CB-O 3.37Å; R267-I276 WeakPolarHBondContact CD-O 3.16Å; I268-I276 HydrophobicContact CD1-CD1 4.46Å; I268-I276 HydrophobicContact CD1-CG1 4.47Å; I268-I276 HydrophobicContact CG1-CD1 4.28Å; I268-I276 HydrophobicContact CG1-CG1 3.77Å; I268-I276 PolarHBondContact N-O 3.15Å; I268-I276 WeakPolarHBondContact O-CG1 3.31Å; I268-I276 PolarHBondContact O-N 2.88Å; N270-I276 HydrophobicContact CB-CD1 3.97Å; N270-I276 HydrophobicContact CB-CG1 4.33Å; Q274-I276 PolarHBondContact O-N 2.79Å; I276-K278 PolarHBondContact O-N 2.84Å |
| 277 | A | 91.7 | Very high | 92 | Very high | 40 Ų | 40 | 58 Ų | 58 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 134.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y279 | A277-Y279 VanDerWaalsContact C-N 3.26Å; A277-Y279 WeakPolarHBondContact CB-O 3.24Å; A277-Y279 PolarHBondContact O-N 2.67Å |
| 278 | K | 92 | Very high | 92.3 | Very high | 76 Ų | 76 | 54.3 Ų | 54.3 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -63.1 | -37 | 174 | -176.6 | 176.3 | 174.1 | -174.1 | 0 | 111.7 | T266 I268 I276 | T266-K278 HydrophobicContact CG2-CB 4.03Å; T266-K278 HydrophobicContact CG2-CD 3.7Å; T266-K278 HydrophobicContact CG2-CG 4.48Å; T266-K278 WeakPolarHBondContact O-CB 3.43Å; T266-K278 PolarHBondContact O-N 3.19Å; I268-K278 HydrophobicContact CG2-CB 3.98Å; I268-K278 HydrophobicContact CG2-CD 4.26Å; I268-K278 HydrophobicContact CG2-CG 3.91Å; I276-K278 PolarHBondContact O-N 2.84Å |
| 279 | Y | 92.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -126.6 | 148.3 | -179 | -59.8 | -72.2 | 0 | 0 | 0 | 110.6 | H263 A277 D283 | H263-Y279 HydrophobicContact CB-CD2 4.02Å; H263-Y279 HydrophobicContact CB-CE2 4.27Å; H263-Y279 AromaticContact CE1-CE2 3.65Å; H263-Y279 AromaticContact CE1-CZ 3.86Å; H263-Y279 AromaticContact CG-CE2 3.86Å; H263-Y279 AromaticContact ND1-CD2 3.49Å; H263-Y279 WeakPolarHBondContact ND1-CD2 3.29Å; H263-Y279 AromaticContact ND1-CE2 2.97Å; H263-Y279 WeakPolarHBondContact ND1-CE2 3.49Å; H263-Y279 AromaticContact ND1-CZ 3.52Å; H263-Y279 WeakPolarHBondContact O-CD2 3.43Å; A277-Y279 VanDerWaalsContact C-N 3.26Å; A277-Y279 WeakPolarHBondContact CB-O 3.24Å; A277-Y279 PolarHBondContact O-N 2.67Å; Y279-D283 HydrophobicContact CD1-CB 4.21Å |
| 280 | S | 93.6 | Very high | 93 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | trans | -64.6 | 168.8 | 160.4 | 74.9 | 0 | 0 | 0 | 0 | 110.1 | K282 D283 A284 | S280-K282 VanDerWaalsContact C-N 3.31Å; S280-K282 PolarHBondContact O-N 2.94Å; S280-D283 WeakPolarHBondContact CB-OD2 3.46Å; S280-D283 PolarHBondContact O-N 3.41Å; S280-D283 WeakPolarHBondContact OG-CB 3.48Å; S280-D283 PolarHBondContact OG-N 2.87Å; S280-D283 PolarHBondContact OG-OD2 3.1Å; S280-A284 WeakPolarHBondContact O-CB 3.44Å; S280-A284 PolarHBondContact O-N 3.4Å | ||
| 281 | F | 95.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.044 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 177.2 | -167.5 | -126.5 | 0 | 0 | 0 | 111.5 | T184 I186 R204 D236 V238 L264 F285 | T184-F281 HydrophobicContact CG2-CE2 4.16Å; T184-F281 HydrophobicContact CG2-CZ 4.29Å; I186-F281 HydrophobicContact CD1-CE2 4.47Å; I186-F281 HydrophobicContact CD1-CZ 3.98Å; R204-F281 HydrophobicContact CB-CD2 4.22Å; R204-F281 HydrophobicContact CB-CE1 4.04Å; R204-F281 HydrophobicContact CB-CE2 3.62Å; R204-F281 HydrophobicContact CB-CZ 3.52Å; R204-F281 HydrophobicContact CG-CE2 4.32Å; D236-F281 HydrophobicContact CB-CD1 4.02Å; D236-F281 HydrophobicContact CB-CE1 4.5Å; D236-F281 WeakPolarHBondContact O-CE1 3.29Å; V238-F281 HydrophobicContact CG1-CD1 3.99Å; V238-F281 HydrophobicContact CG1-CE1 4.43Å; V238-F281 HydrophobicContact CG2-CD1 4.07Å; V238-F281 HydrophobicContact CG2-CE1 3.77Å; L264-F281 HydrophobicContact CD2-CD2 3.84Å; L264-F281 HydrophobicContact CD2-CE2 4.27Å; F281-F285 HydrophobicContact CD1-CE2 4.42Å; F281-F285 AromaticContact CD2-CE2 3.84Å; F281-F285 HydrophobicContact CD2-CE2 3.84Å; F281-F285 HydrophobicContact CE1-CE2 4.07Å; F281-F285 HydrophobicContact CE2-CD2 4.46Å; F281-F285 AromaticContact CE2-CE2 3.45Å; F281-F285 HydrophobicContact CE2-CE2 3.45Å; F281-F285 VanDerWaalsContact CE2-CE2 3.45Å; F281-F285 HydrophobicContact CE2-CZ 4.13Å; F281-F285 HydrophobicContact CG-CE2 4.32Å; F281-F285 AromaticContact CZ-CE2 3.57Å; F281-F285 HydrophobicContact CZ-CE2 3.57Å; F281-F285 HydrophobicContact CZ-CZ 4.31Å; F281-F285 WeakPolarHBondContact O-CD2 3.31Å; F281-F285 PolarHBondContact O-N 3.26Å |
| 282 | K | 95.5 | Very high | 93.8 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -50.8 | 175.5 | -173.2 | -161.8 | -176.8 | 177.4 | 0 | 111.9 | V238 S280 A284 F285 Q286 V337 E339 | V238-K282 HydrophobicContact CG1-CB 4.19Å; V238-K282 HydrophobicContact CG1-CG 4.48Å; S280-K282 VanDerWaalsContact C-N 3.31Å; S280-K282 PolarHBondContact O-N 2.94Å; K282-A284 VanDerWaalsContact C-N 3.28Å; K282-A284 PolarHBondContact O-N 2.73Å; K282-F285 PolarHBondContact O-N 3.26Å; K282-Q286 PolarHBondContact O-N 3.45Å; K282-V337 WeakPolarHBondContact CE-O 3.36Å; K282-V337 HydrophobicContact CG-CB 4.19Å; K282-V337 HydrophobicContact CG-CG1 3.78Å; K282-E339 HydrophobicContact CB-CG 4.34Å; K282-E339 HydrophobicContact CD-CG 3.95Å; K282-E339 HydrophobicContact CG-CG 4.28Å |
| 283 | D | 95.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 33.7 Ų | 33.7 | 35% | 0.353 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.3 | -28.9 | -174.6 | -60.8 | -37.5 | 0 | 0 | 0 | 112.7 | Y279 S280 Q286 S287 | Y279-D283 HydrophobicContact CD1-CB 4.21Å; S280-D283 WeakPolarHBondContact CB-OD2 3.46Å; S280-D283 PolarHBondContact O-N 3.41Å; S280-D283 WeakPolarHBondContact OG-CB 3.48Å; S280-D283 PolarHBondContact OG-N 2.87Å; S280-D283 PolarHBondContact OG-OD2 3.1Å; D283-Q286 PolarHBondContact O-N 2.84Å; D283-S287 WeakPolarHBondContact O-CB 3.35Å; D283-S287 PolarHBondContact O-N 3.26Å; D283-S287 PolarHBondContact O-OG 3.19Å |
| 284 | A | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -50.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H263 L264 S280 K282 S287 V288 | H263-A284 HydrophobicContact CB-CB 3.97Å; L264-A284 HydrophobicContact CD2-CB 3.59Å; L264-A284 HydrophobicContact CG-CB 4.35Å; S280-A284 WeakPolarHBondContact O-CB 3.44Å; S280-A284 PolarHBondContact O-N 3.4Å; K282-A284 VanDerWaalsContact C-N 3.28Å; K282-A284 PolarHBondContact O-N 2.73Å; A284-S287 WeakPolarHBondContact O-CB 3.48Å; A284-S287 PolarHBondContact O-N 2.93Å; A284-V288 WeakPolarHBondContact O-CG2 3.45Å; A284-V288 PolarHBondContact O-N 3.42Å |
| 285 | F | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69 | -34.3 | 176.9 | -70.9 | -65.8 | 0 | 0 | 0 | 113.1 | I186 V238 F240 F256 T260 L264 F281 K282 S287 V288 L289 V337 | I186-F285 HydrophobicContact CD1-CE1 4.21Å; I186-F285 HydrophobicContact CD1-CE2 3.96Å; I186-F285 HydrophobicContact CD1-CZ 3.36Å; I186-F285 HydrophobicContact CG1-CE1 4.36Å; I186-F285 HydrophobicContact CG1-CZ 3.88Å; I186-F285 HydrophobicContact CG2-CE1 4.11Å; I186-F285 HydrophobicContact CG2-CZ 4.32Å; V238-F285 HydrophobicContact CG2-CD2 3.89Å; V238-F285 HydrophobicContact CG2-CE2 4.26Å; F240-F285 HydrophobicContact CD1-CB 4.29Å; F240-F285 HydrophobicContact CD1-CG 4.48Å; F240-F285 HydrophobicContact CE1-CB 3.6Å; F240-F285 AromaticContact CE1-CD1 3.73Å; F240-F285 HydrophobicContact CE1-CD1 3.73Å; F240-F285 AromaticContact CE1-CD2 3.77Å; F240-F285 HydrophobicContact CE1-CD2 3.77Å; F240-F285 HydrophobicContact CE1-CE1 4.4Å; F240-F285 HydrophobicContact CE1-CE2 4.41Å; F240-F285 AromaticContact CE1-CG 3.4Å; F240-F285 HydrophobicContact CE1-CG 3.4Å; F240-F285 VanDerWaalsContact CE1-CG 3.4Å; F240-F285 HydrophobicContact CE2-CD1 4.26Å; F240-F285 HydrophobicContact CE2-CE1 4.46Å; F240-F285 HydrophobicContact CZ-CB 4.21Å; F240-F285 AromaticContact CZ-CD1 3.41Å; F240-F285 HydrophobicContact CZ-CD1 3.41Å; F240-F285 VanDerWaalsContact CZ-CD1 3.41Å; F240-F285 AromaticContact CZ-CD2 3.93Å; F240-F285 HydrophobicContact CZ-CD2 3.93Å; F240-F285 AromaticContact CZ-CE1 3.69Å; F240-F285 HydrophobicContact CZ-CE1 3.69Å; F240-F285 HydrophobicContact CZ-CE2 4.16Å; F240-F285 AromaticContact CZ-CG 3.56Å; F240-F285 HydrophobicContact CZ-CG 3.56Å; F240-F285 HydrophobicContact CZ-CZ 4.08Å; F256-F285 HydrophobicContact CE1-CE1 4.27Å; F256-F285 HydrophobicContact CE2-CD1 4.49Å; F256-F285 AromaticContact CZ-CD1 3.92Å; F256-F285 HydrophobicContact CZ-CD1 3.92Å; F256-F285 AromaticContact CZ-CE1 3.81Å; F256-F285 HydrophobicContact CZ-CE1 3.81Å; T260-F285 HydrophobicContact CG2-CE1 3.66Å; T260-F285 HydrophobicContact CG2-CZ 3.93Å; L264-F285 HydrophobicContact CD1-CZ 4.42Å; F281-F285 HydrophobicContact CD1-CE2 4.42Å; F281-F285 AromaticContact CD2-CE2 3.84Å; F281-F285 HydrophobicContact CD2-CE2 3.84Å; F281-F285 HydrophobicContact CE1-CE2 4.07Å; F281-F285 HydrophobicContact CE2-CD2 4.46Å; F281-F285 AromaticContact CE2-CE2 3.45Å; F281-F285 HydrophobicContact CE2-CE2 3.45Å; F281-F285 VanDerWaalsContact CE2-CE2 3.45Å; F281-F285 HydrophobicContact CE2-CZ 4.13Å; F281-F285 HydrophobicContact CG-CE2 4.32Å; F281-F285 AromaticContact CZ-CE2 3.57Å; F281-F285 HydrophobicContact CZ-CE2 3.57Å; F281-F285 HydrophobicContact CZ-CZ 4.31Å; F281-F285 WeakPolarHBondContact O-CD2 3.31Å; F281-F285 PolarHBondContact O-N 3.26Å; K282-F285 PolarHBondContact O-N 3.26Å; F285-S287 VanDerWaalsContact C-N 3.25Å; F285-S287 PolarHBondContact O-N 3.47Å; F285-V288 PolarHBondContact O-N 3.05Å; F285-L289 WeakPolarHBondContact O-CB 3.35Å; F285-L289 WeakPolarHBondContact O-CG 3.49Å; F285-L289 PolarHBondContact O-N 3.18Å; F285-V337 HydrophobicContact CB-CG1 4.33Å; F285-V337 HydrophobicContact CB-CG2 3.77Å |
| 286 | Q | 96.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 25.3 Ų | 25.3 | 6% | 0.056 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 174.2 | -170.2 | 56.5 | 64.1 | 0 | 0 | 110.2 | K282 D283 S290 L333 G334 Y336 V337 | K282-Q286 PolarHBondContact O-N 3.45Å; D283-Q286 PolarHBondContact O-N 2.84Å; Q286-S290 PolarHBondContact NE2-OG 3.22Å; Q286-S290 VanDerWaalsContact O-CB 3.29Å; Q286-S290 WeakPolarHBondContact O-CB 3.16Å; Q286-S290 PolarHBondContact O-N 2.93Å; Q286-S290 VanDerWaalsContact O-N 3.08Å; Q286-S290 PolarHBondContact O-OG 2.78Å; Q286-L333 HydrophobicContact CB-CD2 4.43Å; Q286-L333 HydrophobicContact CG-CB 4.23Å; Q286-L333 HydrophobicContact CG-CD2 4.1Å; Q286-G334 PolarHBondContact NE2-O 3.39Å; Q286-Y336 VanDerWaalsContact NE2-N 3.19Å; Q286-V337 HydrophobicContact CB-CG2 4.27Å |
| 287 | S | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -50.9 | 174.8 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | H263 D283 A284 F285 L289 S290 T291 L333 | H263-S287 WeakPolarHBondContact CE1-CB 3.22Å; H263-S287 WeakPolarHBondContact ND1-CB 3.41Å; D283-S287 WeakPolarHBondContact O-CB 3.35Å; D283-S287 PolarHBondContact O-N 3.26Å; D283-S287 PolarHBondContact O-OG 3.19Å; A284-S287 WeakPolarHBondContact O-CB 3.48Å; A284-S287 PolarHBondContact O-N 2.93Å; F285-S287 VanDerWaalsContact C-N 3.25Å; F285-S287 PolarHBondContact O-N 3.47Å; S287-L289 PolarHBondContact O-N 3.4Å; S287-S290 PolarHBondContact O-N 2.96Å; S287-T291 PolarHBondContact O-N 3.26Å; S287-T291 PolarHBondContact O-OG1 3.46Å; S287-T291 VanDerWaalsContact O-OG1 3.09Å; S287-L333 WeakPolarHBondContact OG-CD2 3.38Å |
| 288 | V | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.3 | -51.7 | -179.5 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | F256 L259 H263 A284 F285 S290 T291 I292 | F256-V288 HydrophobicContact CD2-CG1 3.66Å; F256-V288 HydrophobicContact CE2-CG1 3.82Å; F256-V288 HydrophobicContact CG-CG1 4.25Å; L259-V288 HydrophobicContact CB-CB 4.42Å; L259-V288 HydrophobicContact CB-CG1 4.1Å; L259-V288 HydrophobicContact CB-CG2 3.89Å; H263-V288 HydrophobicContact CB-CG2 4.25Å; A284-V288 WeakPolarHBondContact O-CG2 3.45Å; A284-V288 PolarHBondContact O-N 3.42Å; F285-V288 PolarHBondContact O-N 3.05Å; V288-S290 VanDerWaalsContact C-N 3.33Å; V288-S290 PolarHBondContact O-N 3.19Å; V288-T291 PolarHBondContact O-N 3.48Å; V288-I292 HydrophobicContact CG1-CD1 3.88Å; V288-I292 WeakPolarHBondContact O-CG1 3.37Å; V288-I292 PolarHBondContact O-N 2.84Å |
| 289 | L | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.8 | -36.1 | -178.3 | -69.1 | 174.1 | 0 | 0 | 0 | 111.6 | F240 I242 F256 F285 S287 I292 Q293 Y336 V337 | F240-L289 HydrophobicContact CB-CD1 3.79Å; F240-L289 HydrophobicContact CD1-CD1 3.95Å; F240-L289 HydrophobicContact CG-CD1 3.85Å; I242-L289 HydrophobicContact CD1-CD2 3.92Å; I242-L289 HydrophobicContact CG1-CD1 4.4Å; I242-L289 HydrophobicContact CG1-CD2 4.04Å; F256-L289 HydrophobicContact CD2-CD2 4.35Å; F256-L289 HydrophobicContact CE2-CD2 3.9Å; F285-L289 WeakPolarHBondContact O-CB 3.35Å; F285-L289 WeakPolarHBondContact O-CG 3.49Å; F285-L289 PolarHBondContact O-N 3.18Å; S287-L289 PolarHBondContact O-N 3.4Å; L289-I292 PolarHBondContact O-N 3.3Å; L289-Q293 WeakPolarHBondContact O-CB 3.48Å; L289-Q293 WeakPolarHBondContact O-CG 3.2Å; L289-Q293 PolarHBondContact O-N 3.2Å; L289-Y336 HydrophobicContact CB-CD2 3.94Å; L289-Y336 HydrophobicContact CB-CG 4.11Å; L289-V337 HydrophobicContact CD1-CG2 3.71Å |
| 290 | S | 96.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.7 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | Q286 S287 V288 T294 V332 G334 Y336 | Q286-S290 PolarHBondContact NE2-OG 3.22Å; Q286-S290 VanDerWaalsContact O-CB 3.29Å; Q286-S290 WeakPolarHBondContact O-CB 3.16Å; Q286-S290 PolarHBondContact O-N 2.93Å; Q286-S290 VanDerWaalsContact O-N 3.08Å; Q286-S290 PolarHBondContact O-OG 2.78Å; S287-S290 PolarHBondContact O-N 2.96Å; V288-S290 VanDerWaalsContact C-N 3.33Å; V288-S290 PolarHBondContact O-N 3.19Å; S290-T294 WeakPolarHBondContact O-CB 3.33Å; S290-T294 PolarHBondContact O-N 2.89Å; S290-T294 PolarHBondContact O-OG1 3.33Å; S290-V332 WeakPolarHBondContact CB-O 3.47Å; S290-V332 PolarHBondContact OG-O 2.88Å; S290-G334 PolarHBondContact OG-N 3.29Å; S290-Y336 WeakPolarHBondContact OG-CE2 3.19Å |
| 291 | T | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -49.5 | 173.4 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | L259 S287 V288 Q293 T294 V295 I328 P331 | L259-T291 HydrophobicContact CD1-CG2 3.66Å; L259-T291 HydrophobicContact CD2-CG2 4.48Å; S287-T291 PolarHBondContact O-N 3.26Å; S287-T291 PolarHBondContact O-OG1 3.46Å; S287-T291 VanDerWaalsContact O-OG1 3.09Å; V288-T291 PolarHBondContact O-N 3.48Å; T291-Q293 PolarHBondContact O-N 3.15Å; T291-T294 PolarHBondContact O-N 3.48Å; T291-V295 HydrophobicContact CG2-CG2 4.35Å; T291-V295 VanDerWaalsContact O-CG2 3.3Å; T291-V295 WeakPolarHBondContact O-CG2 3.41Å; T291-V295 PolarHBondContact O-N 3.49Å; T291-I328 HydrophobicContact CG2-CB 4.36Å; T291-I328 HydrophobicContact CG2-CG1 3.7Å; T291-P331 WeakPolarHBondContact OG1-CB 3.42Å |
| 292 | I | 97 | Very high | 95.9 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | -179 | -69.9 | 169.3 | 0 | 0 | 0 | 110.8 | L255 F256 L259 V288 L289 T294 V295 L296 | L255-I292 HydrophobicContact CD2-CG1 4.12Å; L255-I292 HydrophobicContact CG-CG1 4.29Å; F256-I292 HydrophobicContact CB-CD1 3.71Å; F256-I292 HydrophobicContact CD2-CD1 3.54Å; F256-I292 HydrophobicContact CG-CD1 4.09Å; L259-I292 HydrophobicContact CD1-CG1 4.2Å; V288-I292 HydrophobicContact CG1-CD1 3.88Å; V288-I292 WeakPolarHBondContact O-CG1 3.37Å; V288-I292 PolarHBondContact O-N 2.84Å; L289-I292 PolarHBondContact O-N 3.3Å; I292-T294 VanDerWaalsContact C-N 3.25Å; I292-T294 PolarHBondContact O-N 3.24Å; I292-V295 PolarHBondContact O-N 3.33Å; I292-V295 VanDerWaalsContact O-N 3.14Å; I292-L296 HydrophobicContact CG2-CD1 3.93Å; I292-L296 HydrophobicContact CG2-CG 4.17Å; I292-L296 WeakPolarHBondContact O-CB 3.49Å; I292-L296 VanDerWaalsContact O-CG 3.27Å; I292-L296 WeakPolarHBondContact O-CG 3.31Å; I292-L296 PolarHBondContact O-N 2.9Å |
| 293 | Q | 96 | Very high | 95.6 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -38.5 | 178.7 | -71.6 | -72.8 | -39.2 | 0 | 0 | 111.7 | P243 L289 T291 S297 Y336 | P243-Q293 PolarHBondContact O-NE2 3.48Å; P243-Q293 VanDerWaalsContact O-NE2 3.15Å; L289-Q293 WeakPolarHBondContact O-CB 3.48Å; L289-Q293 WeakPolarHBondContact O-CG 3.2Å; L289-Q293 PolarHBondContact O-N 3.2Å; T291-Q293 PolarHBondContact O-N 3.15Å; Q293-S297 VanDerWaalsContact O-CB 3.25Å; Q293-S297 WeakPolarHBondContact O-CB 3.38Å; Q293-S297 PolarHBondContact O-N 3.06Å; Q293-Y336 HydrophobicContact CB-CE2 4.38Å; Q293-Y336 HydrophobicContact CG-CE1 4.04Å; Q293-Y336 HydrophobicContact CG-CE2 4.21Å |
| 294 | T | 96.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 24% | 0.239 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | 174.7 | -58.6 | 0 | 0 | 0 | 0 | 112 | S290 T291 I292 L296 S297 K298 D327 | S290-T294 WeakPolarHBondContact O-CB 3.33Å; S290-T294 PolarHBondContact O-N 2.89Å; S290-T294 PolarHBondContact O-OG1 3.33Å; T291-T294 PolarHBondContact O-N 3.48Å; I292-T294 VanDerWaalsContact C-N 3.25Å; I292-T294 PolarHBondContact O-N 3.24Å; T294-L296 VanDerWaalsContact C-N 3.34Å; T294-L296 PolarHBondContact O-N 3.06Å; T294-S297 PolarHBondContact O-N 3.46Å; T294-K298 HydrophobicContact CG2-CD 4.11Å; T294-K298 HydrophobicContact CG2-CG 4.44Å; T294-K298 WeakPolarHBondContact O-CB 3.38Å; T294-K298 WeakPolarHBondContact O-CG 3.37Å; T294-K298 PolarHBondContact O-N 2.91Å; T294-D327 HydrophobicContact CG2-CB 3.85Å; T294-D327 WeakPolarHBondContact CG2-OD1 3.25Å |
| 295 | V | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | L255 T291 I292 T299 L319 I321 C324 | L255-V295 HydrophobicContact CD2-CG1 4.32Å; L255-V295 HydrophobicContact CD2-CG2 4.38Å; T291-V295 HydrophobicContact CG2-CG2 4.35Å; T291-V295 VanDerWaalsContact O-CG2 3.3Å; T291-V295 WeakPolarHBondContact O-CG2 3.41Å; T291-V295 PolarHBondContact O-N 3.49Å; I292-V295 PolarHBondContact O-N 3.33Å; I292-V295 VanDerWaalsContact O-N 3.14Å; V295-T299 WeakPolarHBondContact O-CB 3.42Å; V295-T299 PolarHBondContact O-N 2.73Å; V295-T299 PolarHBondContact O-OG1 2.78Å; V295-L319 HydrophobicContact CG1-CB 4.29Å; V295-L319 HydrophobicContact CG1-CD2 4.29Å; V295-I321 HydrophobicContact CG1-CG2 4.29Å; V295-C324 HydrophobicContact CG2-CB 3.68Å |
| 296 | L | 96.1 | Very high | 93.8 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 179.2 | -66.9 | -176.6 | 0 | 0 | 0 | 111.7 | F245 F249 T252 I292 T294 T299 L300 L319 | F245-L296 HydrophobicContact CD2-CB 3.87Å; F245-L296 HydrophobicContact CD2-CD1 3.69Å; F245-L296 HydrophobicContact CD2-CG 4.43Å; F245-L296 HydrophobicContact CE2-CB 3.52Å; F245-L296 HydrophobicContact CE2-CD1 3.82Å; F245-L296 HydrophobicContact CE2-CG 4.32Å; F245-L296 HydrophobicContact CZ-CB 4Å; F249-L296 HydrophobicContact CB-CD2 4.11Å; F249-L296 HydrophobicContact CD1-CD2 3.86Å; F249-L296 HydrophobicContact CD2-CD1 4.47Å; F249-L296 HydrophobicContact CD2-CD2 3.58Å; F249-L296 HydrophobicContact CE1-CD2 4.11Å; F249-L296 HydrophobicContact CE2-CD2 3.84Å; F249-L296 HydrophobicContact CG-CD2 3.57Å; F249-L296 HydrophobicContact CZ-CD2 4.08Å; T252-L296 HydrophobicContact CG2-CD2 3.83Å; I292-L296 HydrophobicContact CG2-CD1 3.93Å; I292-L296 HydrophobicContact CG2-CG 4.17Å; I292-L296 WeakPolarHBondContact O-CB 3.49Å; I292-L296 VanDerWaalsContact O-CG 3.27Å; I292-L296 WeakPolarHBondContact O-CG 3.31Å; I292-L296 PolarHBondContact O-N 2.9Å; T294-L296 VanDerWaalsContact C-N 3.34Å; T294-L296 PolarHBondContact O-N 3.06Å; L296-T299 WeakPolarHBondContact O-CB 3.48Å; L296-T299 PolarHBondContact O-N 2.67Å; L296-L300 PolarHBondContact O-N 2.66Å; L296-L319 HydrophobicContact CD2-CD2 3.61Å |
| 297 | S | 95 | Very high | 93 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 178 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | Q293 T294 T299 L300 K301 | Q293-S297 VanDerWaalsContact O-CB 3.25Å; Q293-S297 WeakPolarHBondContact O-CB 3.38Å; Q293-S297 PolarHBondContact O-N 3.06Å; T294-S297 PolarHBondContact O-N 3.46Å; S297-T299 VanDerWaalsContact C-N 3.32Å; S297-T299 PolarHBondContact O-N 3.41Å; S297-L300 PolarHBondContact O-N 2.9Å; S297-K301 PolarHBondContact O-N 3.41Å |
| 298 | K | 95.3 | Very high | 92.2 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64 | -37.9 | 175.6 | -74.8 | -175.9 | -178.7 | 180 | 0 | 111.9 | T294 K301 I302 D327 | T294-K298 HydrophobicContact CG2-CD 4.11Å; T294-K298 HydrophobicContact CG2-CG 4.44Å; T294-K298 WeakPolarHBondContact O-CB 3.38Å; T294-K298 WeakPolarHBondContact O-CG 3.37Å; T294-K298 PolarHBondContact O-N 2.91Å; K298-K301 PolarHBondContact O-N 3.44Å; K298-I302 WeakPolarHBondContact O-CB 3.48Å; K298-I302 WeakPolarHBondContact O-CD1 3.43Å; K298-I302 VanDerWaalsContact O-CG1 3.32Å; K298-I302 WeakPolarHBondContact O-CG1 3.49Å; K298-I302 PolarHBondContact O-N 2.94Å; K298-D327 IonicContact NZ-OD1 2.63Å; K298-D327 PolarHBondContact NZ-OD1 2.96Å; K298-D327 IonicContact NZ-OD2 3.26Å; K298-D327 PolarHBondContact NZ-OD2 3.04Å |
| 299 | T | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | F249 V295 L296 S297 I302 S303 I317 E318 K320 | F249-T299 HydrophobicContact CD1-CG2 4.47Å; F249-T299 HydrophobicContact CE1-CG2 3.96Å; V295-T299 WeakPolarHBondContact O-CB 3.42Å; V295-T299 PolarHBondContact O-N 2.73Å; V295-T299 PolarHBondContact O-OG1 2.78Å; L296-T299 WeakPolarHBondContact O-CB 3.48Å; L296-T299 PolarHBondContact O-N 2.67Å; S297-T299 VanDerWaalsContact C-N 3.32Å; S297-T299 PolarHBondContact O-N 3.41Å; T299-I302 PolarHBondContact O-N 3.22Å; T299-S303 VanDerWaalsContact O-CB 3.32Å; T299-S303 WeakPolarHBondContact O-CB 3.37Å; T299-S303 PolarHBondContact O-N 3.46Å; T299-I317 WeakPolarHBondContact CG2-O 3.25Å; T299-E318 WeakPolarHBondContact CG2-O 3.38Å; T299-K320 HydrophobicContact CG2-CG 4.16Å; T299-K320 PolarHBondContact OG1-N 2.81Å |
| 300 | L | 93.7 | Very high | 90.6 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 176.9 | -70.7 | 175.9 | 0 | 0 | 0 | 112.2 | F245 Y247 F249 L296 S297 I302 S303 E304 | F245-L300 HydrophobicContact CB-CD1 4.31Å; F245-L300 HydrophobicContact CD1-CD1 3.35Å; F245-L300 HydrophobicContact CE1-CD1 3.92Å; F245-L300 HydrophobicContact CG-CD1 4.08Å; Y247-L300 HydrophobicContact CD1-CD2 4.08Å; Y247-L300 HydrophobicContact CD2-CD1 4.03Å; Y247-L300 HydrophobicContact CD2-CD2 3.43Å; Y247-L300 VanDerWaalsContact CD2-CD2 3.43Å; Y247-L300 HydrophobicContact CD2-CG 4.4Å; Y247-L300 HydrophobicContact CE1-CD2 4.25Å; Y247-L300 HydrophobicContact CE2-CD1 4.41Å; Y247-L300 HydrophobicContact CE2-CD2 3.62Å; Y247-L300 HydrophobicContact CG-CD2 3.67Å; F249-L300 HydrophobicContact CE1-CD2 4.11Å; F249-L300 HydrophobicContact CE1-CG 4.34Å; F249-L300 HydrophobicContact CZ-CD1 4.04Å; F249-L300 HydrophobicContact CZ-CD2 3.6Å; F249-L300 HydrophobicContact CZ-CG 3.68Å; L296-L300 PolarHBondContact O-N 2.66Å; S297-L300 PolarHBondContact O-N 2.9Å; L300-I302 VanDerWaalsContact C-N 3.26Å; L300-I302 PolarHBondContact O-N 2.86Å; L300-S303 WeakPolarHBondContact CA-OG 3.39Å; L300-S303 WeakPolarHBondContact O-CA 3.37Å; L300-S303 WeakPolarHBondContact O-CB 3.42Å; L300-S303 PolarHBondContact O-N 3.26Å; L300-S303 PolarHBondContact O-OG 2.95Å; L300-E304 PolarHBondContact O-N 2.88Å |
| 301 | K | 93.4 | Very high | 90.1 | Very high | 166 Ų | 166 | 61.3 Ų | 61.3 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.1 | -40.8 | 179.1 | -175.5 | 178.1 | -179.5 | 178.4 | 0 | 112.3 | S297 K298 | S297-K301 PolarHBondContact O-N 3.41Å; K298-K301 PolarHBondContact O-N 3.44Å |
| 302 | I | 92.2 | Very high | 89.6 | Confident | 65 Ų | 65 | 64 Ų | 64 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.8 | -39.7 | 175.9 | -70.6 | 163.7 | 0 | 0 | 0 | 110.6 | K298 T299 L300 E304 G305 L308 K320 Q323 | K298-I302 WeakPolarHBondContact O-CB 3.48Å; K298-I302 WeakPolarHBondContact O-CD1 3.43Å; K298-I302 VanDerWaalsContact O-CG1 3.32Å; K298-I302 WeakPolarHBondContact O-CG1 3.49Å; K298-I302 PolarHBondContact O-N 2.94Å; T299-I302 PolarHBondContact O-N 3.22Å; L300-I302 VanDerWaalsContact C-N 3.26Å; L300-I302 PolarHBondContact O-N 2.86Å; I302-E304 PolarHBondContact O-N 3.42Å; I302-G305 PolarHBondContact O-N 3.02Å; I302-L308 HydrophobicContact CG2-CD1 4.1Å; I302-L308 VanDerWaalsContact O-CD1 3.29Å; I302-L308 WeakPolarHBondContact O-CD1 3.4Å; I302-K320 HydrophobicContact CB-CG 4.33Å; I302-K320 HydrophobicContact CD1-CB 4.03Å; I302-K320 HydrophobicContact CD1-CG 3.83Å; I302-K320 HydrophobicContact CG2-CD 4.27Å; I302-K320 HydrophobicContact CG2-CG 4.37Å; I302-Q323 HydrophobicContact CD1-CB 4.38Å; I302-Q323 HydrophobicContact CD1-CG 4.29Å |
| 303 | S | 89.5 | Confident | 89 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.5 | -21.2 | -177.8 | 79.5 | 0 | 0 | 0 | 0 | 114.4 | T299 L300 G305 R316 | T299-S303 VanDerWaalsContact O-CB 3.32Å; T299-S303 WeakPolarHBondContact O-CB 3.37Å; T299-S303 PolarHBondContact O-N 3.46Å; L300-S303 WeakPolarHBondContact CA-OG 3.39Å; L300-S303 WeakPolarHBondContact O-CA 3.37Å; L300-S303 WeakPolarHBondContact O-CB 3.42Å; L300-S303 PolarHBondContact O-N 3.26Å; L300-S303 PolarHBondContact O-OG 2.95Å; S303-G305 VanDerWaalsContact C-N 3.32Å; S303-R316 WeakPolarHBondContact CB-O 3.41Å |
| 304 | E | 87.2 | Confident | 88.7 | Confident | 136 Ų | 136 | 70.5 Ų | 70.5 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -8.3 | 176.6 | -68.6 | 172 | 171.5 | 0 | 0 | 113.4 | L300 I302 | L300-E304 PolarHBondContact O-N 2.88Å; I302-E304 PolarHBondContact O-N 3.42Å |
| 305 | G | 86.1 | Confident | 88.5 | Confident | 28 Ų | 28 | 69 Ų | 69 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -65.3 | 138.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I302 S303 S307 L308 | I302-G305 PolarHBondContact O-N 3.02Å; S303-G305 VanDerWaalsContact C-N 3.32Å; G305-S307 PolarHBondContact O-N 2.97Å; G305-S307 VanDerWaalsContact O-N 3.09Å; G305-L308 PolarHBondContact O-N 3.42Å |
| 306 | E | 77.4 | Confident | 88.2 | Confident | 170 Ų | 170 | 72.4 Ų | 72.4 | 79% | 0.794 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -54.6 | -34.2 | -175.4 | -68.3 | -176.2 | 169.8 | 0 | 0 | 113.8 | L308 L309 | E306-L308 PolarHBondContact O-N 3.21Å; E306-L308 VanDerWaalsContact O-N 3.16Å; E306-L309 HydrophobicContact CB-CD1 4.33Å; E306-L309 HydrophobicContact CG-CD1 4.41Å; E306-L309 WeakPolarHBondContact O-CB 3.49Å; E306-L309 PolarHBondContact O-N 3.38Å |
| 307 | S | 79.8 | Confident | 88 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 75% | 0.748 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -63.4 | -20.1 | 179.6 | 59.9 | 0 | 0 | 0 | 0 | 114 | G305 | G305-S307 PolarHBondContact O-N 2.97Å; G305-S307 VanDerWaalsContact O-N 3.09Å |
| 308 | L | 80.4 | Confident | 88.1 | Confident | 31 Ų | 31 | 69.9 Ų | 69.9 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -98.2 | -8.3 | -178.3 | -60.8 | 177.9 | 0 | 0 | 0 | 112.7 | I302 G305 E306 N310 M311 R316 | I302-L308 HydrophobicContact CG2-CD1 4.1Å; I302-L308 VanDerWaalsContact O-CD1 3.29Å; I302-L308 WeakPolarHBondContact O-CD1 3.4Å; G305-L308 PolarHBondContact O-N 3.42Å; E306-L308 PolarHBondContact O-N 3.21Å; E306-L308 VanDerWaalsContact O-N 3.16Å; L308-N310 PolarHBondContact O-N 2.91Å; L308-N310 VanDerWaalsContact O-N 3.1Å; L308-M311 HydrophobicContact CD2-SD 3.48Å; L308-M311 WeakPolarHBondContact CD2-SD 3.4Å; L308-M311 WeakPolarHBondContact O-CB 3.42Å; L308-M311 PolarHBondContact O-N 3.29Å; L308-R316 HydrophobicContact CB-CG 4.18Å; L308-R316 WeakPolarHBondContact O-CD 3.39Å; L308-R316 WeakPolarHBondContact O-CG 3.39Å |
| 309 | L | 77.4 | Confident | 88.2 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28.7 | -174.1 | -70.2 | 173.4 | 0 | 0 | 0 | 113.3 | E306 M311 R316 | E306-L309 HydrophobicContact CB-CD1 4.33Å; E306-L309 HydrophobicContact CG-CD1 4.41Å; E306-L309 WeakPolarHBondContact O-CB 3.49Å; E306-L309 PolarHBondContact O-N 3.38Å; L309-M311 VanDerWaalsContact C-N 3.32Å; L309-R316 PolarHBondContact O-NH1 2.97Å |
| 310 | N | 83.7 | Confident | 88.2 | Confident | 163 Ų | 163 | 67.8 Ų | 67.8 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -7.8 | 178 | -65.9 | -23.1 | 0 | 0 | 0 | 114.2 | L308 | L308-N310 PolarHBondContact O-N 2.91Å; L308-N310 VanDerWaalsContact O-N 3.1Å |
| 311 | M | 85.9 | Confident | 88.2 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -86.3 | 157.5 | 179.2 | -60.8 | -174.1 | 78.4 | 0 | 0 | 111.7 | L308 L309 A315 R316 | L308-M311 HydrophobicContact CD2-SD 3.48Å; L308-M311 WeakPolarHBondContact CD2-SD 3.4Å; L308-M311 WeakPolarHBondContact O-CB 3.42Å; L308-M311 PolarHBondContact O-N 3.29Å; L309-M311 VanDerWaalsContact C-N 3.32Å; M311-A315 HydrophobicContact CB-CB 4.21Å; M311-A315 HydrophobicContact CE-CB 3.63Å; M311-R316 HydrophobicContact CB-CG 3.9Å |
| 312 | S | 86 | Confident | 88.4 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | trans | -60.9 | 153.1 | 172.5 | 72.1 | 0 | 0 | 0 | 0 | 111.2 | S314 A315 R316 | S312-S314 VanDerWaalsContact C-N 3.27Å; S312-S314 PolarHBondContact O-N 3.24Å; S312-A315 PolarHBondContact O-N 2.91Å; S312-A315 WeakPolarHBondContact OG-CB 3.44Å; S312-A315 PolarHBondContact OG-N 3.38Å; S312-R316 WeakPolarHBondContact O-CG 3.37Å; S312-R316 PolarHBondContact O-N 3.19Å | ||
| 313 | K | 86 | Confident | 88.5 | Confident | 132 Ų | 132 | 64.7 Ų | 64.7 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -53.4 | -45.6 | 179.4 | -174.5 | 179.3 | 177.3 | -178 | 0 | 111.7 | A315 R316 I317 | K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 3.35Å; K313-R316 PolarHBondContact O-N 3.4Å; K313-I317 WeakPolarHBondContact O-CG1 3.27Å; K313-I317 PolarHBondContact O-N 3.02Å |
| 314 | S | 89.3 | Confident | 88.8 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 178.4 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | G53 S312 R316 I317 E318 | G53-S314 PolarHBondContact O-OG 3.47Å; S312-S314 VanDerWaalsContact C-N 3.27Å; S312-S314 PolarHBondContact O-N 3.24Å; S314-R316 PolarHBondContact O-N 3.29Å; S314-I317 WeakPolarHBondContact O-CG1 3.18Å; S314-I317 PolarHBondContact O-N 3.22Å; S314-E318 PolarHBondContact O-N 3.23Å |
| 315 | A | 91.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 7% | 0.066 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68 | -35.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y54 M311 S312 K313 I317 | Y54-A315 HydrophobicContact CE1-CB 3.97Å; Y54-A315 WeakPolarHBondContact OH-CA 3.34Å; Y54-A315 PolarHBondContact OH-N 2.93Å; M311-A315 HydrophobicContact CB-CB 4.21Å; M311-A315 HydrophobicContact CE-CB 3.63Å; S312-A315 PolarHBondContact O-N 2.91Å; S312-A315 WeakPolarHBondContact OG-CB 3.44Å; S312-A315 PolarHBondContact OG-N 3.38Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 3.35Å; A315-I317 VanDerWaalsContact C-N 3.3Å; A315-I317 PolarHBondContact O-N 2.93Å |
| 316 | R | 90.9 | Very high | 89.7 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 27% | 0.272 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 178.7 | -65.2 | -166.3 | -55.1 | -153.6 | 6.9 | 112.2 | S303 L308 L309 M311 S312 K313 S314 | S303-R316 WeakPolarHBondContact CB-O 3.41Å; L308-R316 HydrophobicContact CB-CG 4.18Å; L308-R316 WeakPolarHBondContact O-CD 3.39Å; L308-R316 WeakPolarHBondContact O-CG 3.39Å; L309-R316 PolarHBondContact O-NH1 2.97Å; M311-R316 HydrophobicContact CB-CG 3.9Å; S312-R316 WeakPolarHBondContact O-CG 3.37Å; S312-R316 PolarHBondContact O-N 3.19Å; K313-R316 PolarHBondContact O-N 3.4Å; S314-R316 PolarHBondContact O-N 3.29Å |
| 317 | I | 93 | Very high | 90.6 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 10.1 | -173.3 | 69 | 179.5 | 0 | 0 | 0 | 114.4 | Y247 H248 F249 T299 K313 S314 A315 L319 | Y247-I317 HydrophobicContact CD1-CG2 4.22Å; H248-I317 VanDerWaalsContact O-CD1 3.29Å; H248-I317 WeakPolarHBondContact O-CD1 3.31Å; F249-I317 HydrophobicContact CD1-CB 4.35Å; F249-I317 HydrophobicContact CE1-CB 4.26Å; T299-I317 WeakPolarHBondContact CG2-O 3.25Å; K313-I317 WeakPolarHBondContact O-CG1 3.27Å; K313-I317 PolarHBondContact O-N 3.02Å; S314-I317 WeakPolarHBondContact O-CG1 3.18Å; S314-I317 PolarHBondContact O-N 3.22Å; A315-I317 VanDerWaalsContact C-N 3.3Å; A315-I317 PolarHBondContact O-N 2.93Å; I317-L319 PolarHBondContact O-N 2.89Å |
| 318 | E | 95.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -55.9 | 130.4 | 169.8 | -72.4 | -69.8 | -175.9 | 0 | 0 | 111 | G22 Y23 H51 Y54 T299 S314 K320 | G22-E318 VanDerWaalsContact CA-OE1 3.27Å; G22-E318 WeakPolarHBondContact CA-OE1 3.36Å; G22-E318 WeakPolarHBondContact CA-OE2 3.47Å; Y23-E318 PolarHBondContact N-OE2 2.99Å; H51-E318 IonicContact CD2-OE1 3.77Å; H51-E318 PolarHBondContact CD2-OE1 3.13Å; H51-E318 IonicContact NE2-OE1 3.2Å; H51-E318 PolarHBondContact NE2-OE1 3.33Å; Y54-E318 WeakPolarHBondContact CE2-OE1 3.23Å; Y54-E318 WeakPolarHBondContact OH-CG 3.28Å; Y54-E318 PolarHBondContact OH-OE1 3.42Å; T299-E318 WeakPolarHBondContact CG2-O 3.38Å; S314-E318 PolarHBondContact O-N 3.23Å; E318-K320 WeakPolarHBondContact O-CD 3.45Å; E318-K320 WeakPolarHBondContact O-CE 3.44Å; E318-K320 PolarHBondContact O-N 3.47Å; E318-K320 PolarHBondContact O-NZ 3.47Å |
| 319 | L | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -59.5 | 126.1 | -171.3 | -63 | 177.1 | 0 | 0 | 0 | 111.9 | Y23 I28 F249 T252 V295 L296 I317 I321 | Y23-L319 WeakPolarHBondContact CD2-O 3.38Å; Y23-L319 VanDerWaalsContact CE2-O 3.27Å; Y23-L319 WeakPolarHBondContact CE2-O 3.37Å; I28-L319 HydrophobicContact CD1-CB 4.19Å; I28-L319 HydrophobicContact CD1-CD1 3.31Å; I28-L319 HydrophobicContact CD1-CG 4.36Å; F249-L319 HydrophobicContact CB-CD2 4.21Å; F249-L319 HydrophobicContact CD1-CD2 3.85Å; F249-L319 HydrophobicContact CG-CD2 4.28Å; T252-L319 HydrophobicContact CG2-CD1 4.21Å; T252-L319 HydrophobicContact CG2-CD2 4.45Å; V295-L319 HydrophobicContact CG1-CB 4.29Å; V295-L319 HydrophobicContact CG1-CD2 4.29Å; L296-L319 HydrophobicContact CD2-CD2 3.61Å; I317-L319 PolarHBondContact O-N 2.89Å; L319-I321 HydrophobicContact CB-CG2 4Å; L319-I321 PolarHBondContact O-N 2.85Å | ||
| 320 | K | 95.6 | Very high | 92.8 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | trans | -84.3 | 53.6 | -175.2 | -57.6 | -57.8 | -178.5 | -124.7 | 0 | 112.5 | T299 I302 E318 I322 Q323 C324 | T299-K320 HydrophobicContact CG2-CG 4.16Å; T299-K320 PolarHBondContact OG1-N 2.81Å; I302-K320 HydrophobicContact CB-CG 4.33Å; I302-K320 HydrophobicContact CD1-CB 4.03Å; I302-K320 HydrophobicContact CD1-CG 3.83Å; I302-K320 HydrophobicContact CG2-CD 4.27Å; I302-K320 HydrophobicContact CG2-CG 4.37Å; E318-K320 WeakPolarHBondContact O-CD 3.45Å; E318-K320 WeakPolarHBondContact O-CE 3.44Å; E318-K320 PolarHBondContact O-N 3.47Å; E318-K320 PolarHBondContact O-NZ 3.47Å; K320-I322 VanDerWaalsContact C-N 3.34Å; K320-I322 PolarHBondContact O-N 3.41Å; K320-Q323 VanDerWaalsContact C-OE1 3.27Å; K320-Q323 HydrophobicContact CB-CB 4.28Å; K320-Q323 PolarHBondContact O-N 3.06Å; K320-Q323 PolarHBondContact O-OE1 2.66Å; K320-C324 PolarHBondContact O-N 3.04Å; K320-C324 PolarHBondContact O-SG 2.98Å | ||
| 321 | I | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -34.3 | -171.2 | 67.5 | 174 | 0 | 0 | 0 | 113.4 | Y23 I28 F31 V295 L319 Q323 C324 L325 | Y23-I321 HydrophobicContact CD1-CD1 3.22Å; Y23-I321 HydrophobicContact CD1-CG1 3.59Å; Y23-I321 HydrophobicContact CE1-CD1 3.53Å; Y23-I321 HydrophobicContact CE1-CG1 3.55Å; Y23-I321 HydrophobicContact CG-CD1 3.99Å; Y23-I321 HydrophobicContact CG-CG1 4.11Å; I28-I321 HydrophobicContact CB-CD1 4.47Å; I28-I321 HydrophobicContact CD1-CG2 3.76Å; I28-I321 HydrophobicContact CG1-CD1 4.08Å; I28-I321 HydrophobicContact CG1-CG2 4Å; F31-I321 HydrophobicContact CB-CD1 4.29Å; F31-I321 HydrophobicContact CD1-CB 4.47Å; F31-I321 HydrophobicContact CD1-CD1 3.89Å; F31-I321 HydrophobicContact CD1-CG1 4.13Å; F31-I321 HydrophobicContact CE1-CG1 4.48Å; F31-I321 HydrophobicContact CG-CD1 4.39Å; V295-I321 HydrophobicContact CG1-CG2 4.29Å; L319-I321 HydrophobicContact CB-CG2 4Å; L319-I321 PolarHBondContact O-N 2.85Å; I321-Q323 VanDerWaalsContact C-N 3.33Å; I321-Q323 PolarHBondContact O-N 3.3Å; I321-C324 CarbonylContact O-C 3.52Å; I321-C324 PolarHBondContact O-N 3.34Å; I321-C324 VanDerWaalsContact O-N 3.1Å; I321-L325 PolarHBondContact O-N 2.82Å |
| 322 | I | 96 | Very high | 93.4 | Very high | 81 Ų | 81 | 52.5 Ų | 52.5 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -66.4 | -40.1 | 178.8 | -58.5 | -59 | 0 | 0 | 0 | 110.4 | Y23 F31 K320 C324 L325 | Y23-I322 HydrophobicContact CE1-CG1 4.43Å; Y23-I322 WeakPolarHBondContact OH-CG1 3.34Å; F31-I322 HydrophobicContact CD1-CD1 4.22Å; F31-I322 HydrophobicContact CD2-CD1 4.01Å; F31-I322 HydrophobicContact CE1-CD1 3.9Å; F31-I322 HydrophobicContact CE2-CD1 3.67Å; F31-I322 HydrophobicContact CG-CD1 4.26Å; F31-I322 HydrophobicContact CZ-CD1 3.6Å; K320-I322 VanDerWaalsContact C-N 3.34Å; K320-I322 PolarHBondContact O-N 3.41Å; I322-C324 PolarHBondContact O-N 3Å; I322-L325 PolarHBondContact O-N 3.07Å |
| 323 | Q | 95.4 | Very high | 93.5 | Very high | 104 Ų | 104 | 54.6 Ų | 54.6 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -71.1 | -11.6 | 176.6 | -62.5 | 76 | 13.3 | 0 | 0 | 112.6 | I302 K320 I321 | I302-Q323 HydrophobicContact CD1-CB 4.38Å; I302-Q323 HydrophobicContact CD1-CG 4.29Å; K320-Q323 VanDerWaalsContact C-OE1 3.27Å; K320-Q323 HydrophobicContact CB-CB 4.28Å; K320-Q323 PolarHBondContact O-N 3.06Å; K320-Q323 PolarHBondContact O-OE1 2.66Å; I321-Q323 VanDerWaalsContact C-N 3.33Å; I321-Q323 PolarHBondContact O-N 3.3Å |
| 324 | C | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -107.6 | 19.5 | 178.6 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | V295 K320 I321 I322 D326 D327 I328 | V295-C324 HydrophobicContact CG2-CB 3.68Å; K320-C324 PolarHBondContact O-N 3.04Å; K320-C324 PolarHBondContact O-SG 2.98Å; I321-C324 CarbonylContact O-C 3.52Å; I321-C324 PolarHBondContact O-N 3.34Å; I321-C324 VanDerWaalsContact O-N 3.1Å; I322-C324 PolarHBondContact O-N 3Å; C324-D326 VanDerWaalsContact C-N 3.3Å; C324-D326 PolarHBondContact O-N 3.09Å; C324-D327 WeakPolarHBondContact CA-OD2 3.4Å; C324-D327 PolarHBondContact O-N 2.84Å; C324-D327 VanDerWaalsContact O-N 3.16Å; C324-I328 WeakPolarHBondContact O-CG1 3.01Å; C324-I328 PolarHBondContact O-N 2.81Å |
| 325 | L | 96.4 | Very high | 93.6 | Very high | 51 Ų | 51 | 55 Ų | 55 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -51 | -48.2 | -178.9 | 174.2 | 67.3 | 0 | 0 | 0 | 112.5 | F31 V35 I321 I322 I328 R329 | F31-L325 HydrophobicContact CE1-CD1 4.46Å; F31-L325 HydrophobicContact CE2-CD1 4.48Å; F31-L325 HydrophobicContact CZ-CD1 3.79Å; V35-L325 HydrophobicContact CB-CD1 4.09Å; V35-L325 HydrophobicContact CG1-CD1 3.47Å; V35-L325 VanDerWaalsContact CG1-CD1 3.47Å; V35-L325 HydrophobicContact CG2-CD1 3.37Å; I321-L325 PolarHBondContact O-N 2.82Å; I322-L325 PolarHBondContact O-N 3.07Å; L325-I328 PolarHBondContact O-N 3.16Å; L325-R329 PolarHBondContact O-N 3.05Å; L325-R329 VanDerWaalsContact O-N 3.1Å |
| 326 | D | 95.7 | Very high | 93.7 | Very high | 110 Ų | 110 | 57 Ų | 57 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70.4 | -34.7 | -177.4 | -68.2 | -30.8 | 0 | 0 | 0 | 112 | C324 I328 R329 N330 | C324-D326 VanDerWaalsContact C-N 3.3Å; C324-D326 PolarHBondContact O-N 3.09Å; D326-I328 VanDerWaalsContact C-N 3.34Å; D326-R329 PolarHBondContact O-N 3.31Å; D326-N330 PolarHBondContact O-N 2.71Å |
| 327 | D | 95.3 | Very high | 94 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.1 | -32.3 | 176.8 | -38.9 | -87 | 0 | 0 | 0 | 111.5 | T294 K298 C324 N330 P331 | T294-D327 HydrophobicContact CG2-CB 3.85Å; T294-D327 WeakPolarHBondContact CG2-OD1 3.25Å; K298-D327 IonicContact NZ-OD1 2.63Å; K298-D327 PolarHBondContact NZ-OD1 2.96Å; K298-D327 IonicContact NZ-OD2 3.26Å; K298-D327 PolarHBondContact NZ-OD2 3.04Å; C324-D327 WeakPolarHBondContact CA-OD2 3.4Å; C324-D327 PolarHBondContact O-N 2.84Å; C324-D327 VanDerWaalsContact O-N 3.16Å; D327-N330 CarbonylContact O-C 3.5Å; D327-P331 VanDerWaalsContact O-CA 3.29Å; D327-P331 WeakPolarHBondContact O-CA 3.3Å; D327-P331 VanDerWaalsContact O-N 3.16Å |
| 328 | I | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 172.2 | -69.8 | 163.8 | 0 | 0 | 0 | 110.3 | F31 P32 V35 L36 L259 T291 C324 L325 D326 | F31-I328 HydrophobicContact CD1-CD1 4.4Å; F31-I328 HydrophobicContact CE1-CD1 4.08Å; P32-I328 HydrophobicContact CB-CG2 4.03Å; P32-I328 HydrophobicContact CG-CD1 4.39Å; V35-I328 HydrophobicContact CG1-CG2 4.01Å; L36-I328 HydrophobicContact CD1-CG2 4.44Å; L36-I328 HydrophobicContact CG-CG2 4.34Å; L259-I328 HydrophobicContact CD2-CG2 4.22Å; T291-I328 HydrophobicContact CG2-CB 4.36Å; T291-I328 HydrophobicContact CG2-CG1 3.7Å; C324-I328 WeakPolarHBondContact O-CG1 3.01Å; C324-I328 PolarHBondContact O-N 2.81Å; L325-I328 PolarHBondContact O-N 3.16Å; D326-I328 VanDerWaalsContact C-N 3.34Å |
| 329 | R | 94.4 | Very high | 94 | Very high | 114 Ų | 114 | 61.6 Ų | 61.6 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69 | -42.1 | 179.6 | -74.5 | -179.9 | 165.9 | 158.9 | 0.3 | 112.7 | V35 L325 D326 | V35-R329 HydrophobicContact CG1-CG 3.35Å; L325-R329 PolarHBondContact O-N 3.05Å; L325-R329 VanDerWaalsContact O-N 3.1Å; D326-R329 PolarHBondContact O-N 3.31Å |
| 330 | N | 93.6 | Very high | 93.8 | Very high | 118 Ų | 118 | 65.7 Ų | 65.7 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -134 | 71.4 | -170.2 | -55.9 | -63.2 | 0 | 0 | 0 | 110.2 | D326 D327 V332 | D326-N330 PolarHBondContact O-N 2.71Å; D327-N330 CarbonylContact O-C 3.5Å; N330-V332 PolarHBondContact O-N 2.95Å |
| 331 | P | 92.5 | Very high | 93.7 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | trans | -61.8 | 130.3 | 179.7 | 21.2 | -29.9 | 0 | 0 | 0 | 111.1 | T291 D327 L333 | T291-P331 WeakPolarHBondContact OG1-CB 3.42Å; D327-P331 VanDerWaalsContact O-CA 3.29Å; D327-P331 WeakPolarHBondContact O-CA 3.3Å; D327-P331 VanDerWaalsContact O-N 3.16Å; P331-L333 PolarHBondContact O-N 2.73Å | ||
| 332 | V | 90.3 | Very high | 93.6 | Very high | 120 Ų | 120 | 71.2 Ų | 71.2 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | trans | -76.1 | 114.4 | 168.6 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | S290 N330 G334 | S290-V332 WeakPolarHBondContact CB-O 3.47Å; S290-V332 PolarHBondContact OG-O 2.88Å; N330-V332 PolarHBondContact O-N 2.95Å; V332-G334 PolarHBondContact O-N 2.89Å | ||
| 333 | L | 87.2 | Confident | 93.5 | Very high | 101 Ų | 101 | 70.6 Ų | 70.6 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | trans | -64.8 | 119.2 | -176.9 | -59.2 | 179.7 | 0 | 0 | 0 | 110.7 | Q286 S287 P331 | Q286-L333 HydrophobicContact CB-CD2 4.43Å; Q286-L333 HydrophobicContact CG-CB 4.23Å; Q286-L333 HydrophobicContact CG-CD2 4.1Å; S287-L333 WeakPolarHBondContact OG-CD2 3.38Å; P331-L333 PolarHBondContact O-N 2.73Å | ||
| 334 | G | 84.2 | Confident | 93.4 | Very high | 34 Ų | 34 | 68.6 Ų | 68.6 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | trans | -84.9 | -156.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q286 S290 V332 | Q286-G334 PolarHBondContact NE2-O 3.39Å; S290-G334 PolarHBondContact OG-N 3.29Å; V332-G334 PolarHBondContact O-N 2.89Å | ||
| 335 | D | 92.3 | Very high | 93.2 | Very high | 137 Ų | 137 | 72.9 Ų | 72.9 | 73% | 0.733 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -127.1 | 84.4 | 172.8 | -172.5 | 19.7 | 0 | 0 | 0 | 108.6 | ||
| 336 | Y | 95.2 | Very high | 93 | Very high | 49 Ų | 49 | 74.4 Ų | 74.4 | 19% | 0.192 | 39% | 0.388 | C | S | . | . | trans | -123.5 | -9.6 | -173.4 | -59.1 | -59 | 0 | 0 | 0 | 112.6 | F240 K241 P243 Q286 L289 S290 Q293 | F240-Y336 CarbonylContact C-O 3.58Å; F240-Y336 WeakPolarHBondContact CA-O 3.49Å; K241-Y336 PolarHBondContact N-O 2.95Å; K241-Y336 WeakPolarHBondContact O-CD1 3.5Å; P243-Y336 HydrophobicContact CG-CD1 4.3Å; P243-Y336 HydrophobicContact CG-CE1 3.82Å; Q286-Y336 VanDerWaalsContact NE2-N 3.19Å; L289-Y336 HydrophobicContact CB-CD2 3.94Å; L289-Y336 HydrophobicContact CB-CG 4.11Å; S290-Y336 WeakPolarHBondContact OG-CE2 3.19Å; Q293-Y336 HydrophobicContact CB-CE2 4.38Å; Q293-Y336 HydrophobicContact CG-CE1 4.04Å; Q293-Y336 HydrophobicContact CG-CE2 4.21Å | ||
| 337 | V | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.9 | -170.3 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | V238 R239 F240 K282 F285 Q286 L289 | V238-V337 HydrophobicContact CB-CG1 3.68Å; V238-V337 HydrophobicContact CG1-CG1 3.94Å; V238-V337 HydrophobicContact CG2-CG1 4.27Å; R239-V337 WeakPolarHBondContact O-CA 3.47Å; F240-V337 HydrophobicContact CD1-CG1 4.18Å; F240-V337 HydrophobicContact CD1-CG2 4.06Å; F240-V337 HydrophobicContact CE1-CG1 4.37Å; K282-V337 WeakPolarHBondContact CE-O 3.36Å; K282-V337 HydrophobicContact CG-CB 4.19Å; K282-V337 HydrophobicContact CG-CG1 3.78Å; F285-V337 HydrophobicContact CB-CG1 4.33Å; F285-V337 HydrophobicContact CB-CG2 3.77Å; Q286-V337 HydrophobicContact CB-CG2 4.27Å; L289-V337 HydrophobicContact CD1-CG2 3.71Å |
| 338 | E | 95.5 | Very high | 92.6 | Very high | 58 Ų | 58 | 74.9 Ų | 74.9 | 27% | 0.271 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 143.4 | 174.8 | -60.9 | -178 | 152.1 | 0 | 0 | 110.3 | V238 R239 K241 | V238-E338 CarbonylContact C-O 3.5Å; V238-E338 WeakPolarHBondContact CA-O 3.46Å; R239-E338 HydrophobicContact CB-CB 4.47Å; R239-E338 IonicContact CZ-OE2 2.91Å; R239-E338 PolarHBondContact N-O 3.46Å; R239-E338 IonicContact NH1-OE2 2.73Å; R239-E338 PolarHBondContact NH1-OE2 3.26Å; R239-E338 PolarHBondContact O-N 2.84Å; K241-E338 HydrophobicContact CD-CG 4.44Å; K241-E338 VanDerWaalsContact CE-OE1 3.28Å; K241-E338 WeakPolarHBondContact CE-OE1 3.48Å; K241-E338 WeakPolarHBondContact CE-OE2 3.22Å; K241-E338 IonicContact NZ-OE1 3.99Å; K241-E338 PolarHBondContact NZ-OE1 3.21Å; K241-E338 IonicContact NZ-OE2 2.67Å; K241-E338 PolarHBondContact NZ-OE2 3.46Å; K241-E338 VanDerWaalsContact NZ-OE2 3.13Å |
| 339 | E | 93.9 | Very high | 92.3 | Very high | 137 Ų | 137 | 81.2 Ų | 81.2 | 64% | 0.64 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 150.9 | 167.4 | -70.6 | 173.6 | 161.3 | 0 | 0 | 109.9 | V238 K282 | V238-E339 HydrophobicContact CG1-CG 4.43Å; K282-E339 HydrophobicContact CB-CG 4.34Å; K282-E339 HydrophobicContact CD-CG 3.95Å; K282-E339 HydrophobicContact CG-CG 4.28Å |
| 340 | M | 92.2 | Very high | 92.1 | Very high | 86 Ų | 86 | 78.2 Ų | 78.2 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | trans | -117.6 | 0 | -173.9 | -61.3 | -178.2 | 69.2 | 0 | 0 | 113.7 | E166 L170 Y201 R237 R239 | E166-M340 VanDerWaalsContact CD-CE 3.47Å; E166-M340 HydrophobicContact CG-CE 3.9Å; E166-M340 WeakPolarHBondContact OE1-CE 3.46Å; L170-M340 HydrophobicContact CD1-CE 3.78Å; L170-M340 HydrophobicContact CD2-CE 3.95Å; L170-M340 HydrophobicContact CD2-SD 4.3Å; L170-M340 HydrophobicContact CG-CE 4.25Å; Y201-M340 HydrophobicContact CD1-CE 4.41Å; Y201-M340 HydrophobicContact CD1-SD 4.08Å; Y201-M340 HydrophobicContact CE1-CE 4.49Å; R237-M340 HydrophobicContact CB-CB 3.89Å; R237-M340 HydrophobicContact CB-CG 4.46Å; R237-M340 HydrophobicContact CB-SD 4.37Å; R237-M340 PolarHBondContact O-N 2.81Å; R237-M340 VanDerWaalsContact O-N 3.12Å; R239-M340 HydrophobicContact CB-CG 4Å; R239-M340 HydrophobicContact CB-SD 3.89Å |
Retrieved 340 of 340 residues in 113.3 ms
(Link to these results)