| 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 | 30.1 | Very low | 74.7 | Confident | 235 Ų | 235 | 69.5 Ų | 69.5 | 100% | 1.158 | 33% | 0.33 | S | S | * | . | 0 | -5.5 | 0 | -103.6 | -176 | -154.6 | 0 | 0 | 115.8 | |||||
| 2 | Q | 40.6 | Very low | 76.7 | Confident | 159 Ų | 159 | 64.3 Ų | 64.3 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | trans | -141.1 | 5.3 | -162.8 | -75.6 | -173 | -17.3 | 0 | 0 | 119.1 | ||||
| 3 | Q | 44.2 | Very low | 78.3 | Confident | 188 Ų | 188 | 61.1 Ų | 61.1 | 88% | 0.879 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -90.9 | -13.8 | -173.4 | -79 | -172.3 | -1.6 | 0 | 0 | 116.4 | ||
| 4 | K | 55.1 | Low | 79.7 | Confident | 122 Ų | 122 | 66.4 Ų | 66.4 | 53% | 0.53 | 32% | 0.318 | S | S | . | . | trans | -121.5 | 42.8 | -175.9 | -61.7 | -171 | -178.3 | -175.1 | 0 | 113.6 | M6 | K4-M6 PolarHBondContact O-N 3.33Š| ||
| 5 | L | 74.5 | Confident | 80.9 | Confident | 47 Ų | 47 | 68 Ų | 68 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -74 | -12.6 | -178.3 | -68.1 | 169.9 | 0 | 0 | 0 | 114 | L124 S125 A189 | L5-L124 CarbonylContact O-C 3.45Å; L5-L124 VanDerWaalsContact O-CA 3.28Å; L5-L124 WeakPolarHBondContact O-CA 3.5Å; L5-S125 PolarHBondContact O-N 3.13Å; L5-A189 HydrophobicContact CD1-CB 4.34Å |
| 6 | M | 89 | Confident | 82 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | trans | -125.2 | 127.6 | 173.8 | -174.2 | -154 | 89.4 | 0 | 0 | 110.8 | K4 A23 C123 L124 A194 | K4-M6 PolarHBondContact O-N 3.33Å; M6-A23 HydrophobicContact CB-CB 4.09Å; M6-A23 HydrophobicContact CE-CB 3.77Å; M6-A23 PolarHBondContact O-N 2.03Å; M6-A23 HydrophobicContact SD-CB 4.43Å; M6-C123 CarbonylContact C-O 2.98Å; M6-C123 WeakPolarHBondContact CA-O 3.42Å; M6-L124 HydrophobicContact CG-CD2 3.8Å; M6-A194 HydrophobicContact SD-CB 3.92Å | ||
| 7 | G | 95.2 | Very high | 83 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 144.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I21 V122 C123 | G7-I21 CarbonylContact C-O 3.43Å; G7-I21 WeakPolarHBondContact CA-O 3.46Å; G7-V122 WeakPolarHBondContact O-CA 3.36Å; G7-C123 PolarHBondContact N-O 3.35Å; G7-C123 PolarHBondContact O-N 3.17Å |
| 8 | V | 97.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.3 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | A20 I21 L120 V122 F281 L302 L307 F311 | V8-A20 CarbonylContact O-C 3.49Å; V8-A20 WeakPolarHBondContact O-CA 3.38Å; V8-I21 PolarHBondContact N-O 2.86Å; V8-I21 PolarHBondContact O-N 2.87Å; V8-L120 HydrophobicContact CG1-CD1 3.69Å; V8-L120 HydrophobicContact CG1-CG 4.5Å; V8-V122 HydrophobicContact CG1-CG2 4.4Å; V8-V122 HydrophobicContact CG2-CG1 4.33Å; V8-V122 HydrophobicContact CG2-CG2 4.31Å; V8-F281 HydrophobicContact CG1-CE1 3.87Å; V8-F281 HydrophobicContact CG1-CZ 4.23Å; V8-F281 HydrophobicContact CG2-CD1 4.45Å; V8-F281 HydrophobicContact CG2-CE1 4.08Å; V8-L302 HydrophobicContact CG2-CD1 4.15Å; V8-L307 HydrophobicContact CB-CD1 4.48Å; V8-L307 HydrophobicContact CG2-CD1 4.19Å; V8-L307 HydrophobicContact CG2-CD2 4.06Å; V8-F311 HydrophobicContact CG1-CE2 4.02Å; V8-F311 HydrophobicContact CG1-CZ 3.91Å |
| 9 | L | 98.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 113.4 | -175.9 | -57 | 88.9 | 0 | 0 | 0 | 108.5 | A18 A20 L36 V42 L43 I121 | L9-A18 HydrophobicContact CB-CB 3.86Å; L9-A18 HydrophobicContact CD2-CB 4.43Å; L9-A20 HydrophobicContact CG-CB 4.29Å; L9-L36 HydrophobicContact CD2-CD2 3.72Å; L9-V42 HydrophobicContact CD2-CG1 3.71Å; L9-V42 HydrophobicContact CD2-CG2 4.49Å; L9-L43 HydrophobicContact CD2-CD2 4.41Å; L9-L43 HydrophobicContact CD2-CG 4.39Å; L9-I121 HydrophobicContact CB-CB 4.27Å; L9-I121 HydrophobicContact CD1-CG2 4.43Å; L9-I121 PolarHBondContact N-O 2.03Å; L9-I121 PolarHBondContact O-N 3.43Å |
| 10 | Y | 98.6 | Very high | 85.3 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 105 | 171.2 | -140 | -63.5 | 0 | 0 | 0 | 108.4 | V12 A18 R19 A118 G119 L120 I253 V255 I260 D265 S267 W269 F311 | Y10-V12 PolarHBondContact O-N 3.43Å; Y10-A18 CarbonylContact O-C 3.6Å; Y10-A18 WeakPolarHBondContact O-CA 3.43Å; Y10-A18 WeakPolarHBondContact O-CB 3.44Å; Y10-R19 PolarHBondContact N-O 2.94Å; Y10-R19 PolarHBondContact O-N 3.32Å; Y10-A118 HydrophobicContact CD1-CB 4.42Å; Y10-A118 HydrophobicContact CE1-CB 4.11Å; Y10-G119 CarbonylContact C-O 3.57Å; Y10-L120 HydrophobicContact CD2-CD1 3.64Å; Y10-L120 HydrophobicContact CE2-CD1 4.2Å; Y10-L120 HydrophobicContact CG-CD1 4.1Å; Y10-I253 WeakPolarHBondContact OH-CD1 3.4Å; Y10-V255 HydrophobicContact CD1-CG1 4.44Å; Y10-V255 HydrophobicContact CD1-CG2 4.26Å; Y10-V255 HydrophobicContact CD2-CB 4.5Å; Y10-V255 HydrophobicContact CD2-CG1 3.8Å; Y10-V255 HydrophobicContact CD2-CG2 3.96Å; Y10-V255 HydrophobicContact CE1-CG2 4.14Å; Y10-V255 HydrophobicContact CE2-CG1 4.48Å; Y10-V255 HydrophobicContact CE2-CG2 3.81Å; Y10-V255 HydrophobicContact CG-CB 4.43Å; Y10-V255 HydrophobicContact CG-CG1 3.77Å; Y10-V255 HydrophobicContact CG-CG2 4.17Å; Y10-I260 HydrophobicContact CD1-CD1 3.84Å; Y10-I260 HydrophobicContact CE1-CD1 3.66Å; Y10-D265 PolarHBondContact OH-OD2 2.7Å; Y10-S267 PolarHBondContact OH-OG 3.02Å; Y10-W269 AromaticContact CE2-NE1 3.66Å; Y10-W269 AromaticContact CZ-NE1 3.95Å; Y10-W269 PolarHBondContact OH-NE1 2.73Å; Y10-F311 HydrophobicContact CD2-CE1 4.05Å; Y10-F311 HydrophobicContact CD2-CZ 4.16Å; Y10-F311 AromaticContact CE2-CE1 3.98Å; Y10-F311 HydrophobicContact CE2-CE1 3.98Å |
| 11 | V | 98.6 | Very high | 85.8 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 128.6 | 180 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | L36 V99 A118 G119 I121 | V11-L36 HydrophobicContact CG2-CD1 4.24Å; V11-V99 HydrophobicContact CG2-CG2 4.18Å; V11-A118 VanDerWaalsContact O-CA 3.26Å; V11-A118 WeakPolarHBondContact O-CA 3.43Å; V11-A118 VanDerWaalsContact O-CB 3.24Å; V11-A118 WeakPolarHBondContact O-CB 3.48Å; V11-G119 PolarHBondContact N-O 3.41Å; V11-I121 HydrophobicContact CG2-CD1 3.79Å; V11-I121 HydrophobicContact CG2-CG1 4.23Å |
| 12 | V | 98.3 | Very high | 89 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 131.5 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | Y10 Q14 K15 A17 R19 E33 V258 | Y10-V12 PolarHBondContact O-N 3.43Å; V12-Q14 PolarHBondContact O-N 2.99Å; V12-K15 HydrophobicContact CB-CB 4.25Å; V12-K15 HydrophobicContact CB-CD 4.34Å; V12-K15 HydrophobicContact CG1-CB 4.31Å; V12-K15 HydrophobicContact CG1-CD 3.78Å; V12-K15 HydrophobicContact CG1-CG 4.13Å; V12-K15 PolarHBondContact O-N 2.97Å; V12-A17 PolarHBondContact N-O 3.42Å; V12-R19 HydrophobicContact CG2-CG 4.22Å; V12-E33 HydrophobicContact CG2-CG 4.42Å; V12-V258 HydrophobicContact CG1-CG1 4.15Å; V12-V258 HydrophobicContact CG2-CG2 4.32Å |
| 13 | P | 97.7 | Very high | 91.4 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 139.1 | 176.5 | -23 | 30.2 | 0 | 0 | 0 | 112.1 | K15 G116 A118 I260 | P13-K15 PolarHBondContact O-N 3.3Å; P13-K15 VanDerWaalsContact O-N 3.11Å; P13-G116 CarbonylContact C-O 3.49Å; P13-G116 WeakPolarHBondContact CA-O 3.42Å; P13-A118 HydrophobicContact CG-CB 3.84Å; P13-I260 HydrophobicContact CG-CG1 4.09Å; P13-I260 HydrophobicContact CG-CG2 4.45Å |
| 14 | Q | 97.8 | Very high | 93.7 | Very high | 135 Ų | 135 | 30.6 Ų | 30.6 | 63% | 0.631 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 16.4 | 175.7 | -50.6 | -59.7 | -56.4 | 0 | 0 | 114.5 | V12 G116 | V12-Q14 PolarHBondContact O-N 2.99Å; Q14-G116 PolarHBondContact N-O 2.8Å; Q14-G116 PolarHBondContact NE2-O 2.81Å; Q14-G116 VanDerWaalsContact NE2-O 3.12Å |
| 15 | K | 97.9 | Very high | 95.4 | Very high | 91 Ų | 91 | 28.6 Ų | 28.6 | 40% | 0.396 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -130.4 | 156.7 | 176.4 | -60.4 | -171 | -172.6 | 174.9 | 0 | 111.5 | V12 P13 A17 E33 | V12-K15 HydrophobicContact CB-CB 4.25Å; V12-K15 HydrophobicContact CB-CD 4.34Å; V12-K15 HydrophobicContact CG1-CB 4.31Å; V12-K15 HydrophobicContact CG1-CD 3.78Å; V12-K15 HydrophobicContact CG1-CG 4.13Å; V12-K15 PolarHBondContact O-N 2.97Å; P13-K15 PolarHBondContact O-N 3.3Å; P13-K15 VanDerWaalsContact O-N 3.11Å; K15-A17 HydrophobicContact CB-CB 4.21Å; K15-A17 PolarHBondContact O-N 3.17Å; K15-E33 WeakPolarHBondContact CD-OE2 3.5Å; K15-E33 IonicContact NZ-OE1 3.35Å; K15-E33 PolarHBondContact NZ-OE1 3.47Å; K15-E33 IonicContact NZ-OE2 2.75Å; K15-E33 PolarHBondContact NZ-OE2 2.81Å |
| 16 | Q | 98.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 29.3 Ų | 29.3 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -92.2 | 47.6 | 167 | -58.3 | -170.9 | -85.1 | 0 | 0 | 110.5 | L36 T37 P113 A115 | Q16-L36 WeakPolarHBondContact O-CB 3.44Å; Q16-L36 PolarHBondContact O-N 2.97Å; Q16-T37 HydrophobicContact CB-CG2 3.72Å; Q16-T37 HydrophobicContact CG-CG2 4.47Å; Q16-P113 WeakPolarHBondContact CG-O 3.47Å; Q16-P113 PolarHBondContact NE2-O 3.44Å; Q16-A115 HydrophobicContact CG-CB 4.2Å |
| 17 | A | 98.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 160.7 | -177 | 0 | 0 | 0 | 0 | 0 | 109.9 | V12 K15 E33 V34 | V12-A17 PolarHBondContact N-O 3.42Å; K15-A17 HydrophobicContact CB-CB 4.21Å; K15-A17 PolarHBondContact O-N 3.17Å; A17-E33 HydrophobicContact CB-CB 4.16Å; A17-V34 CarbonylContact C-O 3.59Å; A17-V34 WeakPolarHBondContact CA-O 3.46Å |
| 18 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L9 Y10 V34 L36 | L9-A18 HydrophobicContact CB-CB 3.86Å; L9-A18 HydrophobicContact CD2-CB 4.43Å; Y10-A18 CarbonylContact O-C 3.6Å; Y10-A18 WeakPolarHBondContact O-CA 3.43Å; Y10-A18 WeakPolarHBondContact O-CB 3.44Å; A18-V34 PolarHBondContact N-O 3.27Å; A18-V34 PolarHBondContact O-N 2.99Å; A18-L36 HydrophobicContact CB-CD1 4.32Å; A18-L36 HydrophobicContact CB-CD2 4.07Å; A18-L36 HydrophobicContact CB-CG 4.43Å |
| 19 | R | 98.5 | Very high | 96.6 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 10% | 0.102 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.7 | 155.2 | -58.3 | -54.6 | -65 | -179.4 | -1.4 | 106.9 | Y10 V12 W29 E30 Q31 Q32 E33 V255 D256 V258 | Y10-R19 PolarHBondContact N-O 2.94Å; Y10-R19 PolarHBondContact O-N 3.32Å; V12-R19 HydrophobicContact CG2-CG 4.22Å; R19-W29 HydrophobicContact CB-CE3 3.83Å; R19-W29 HydrophobicContact CB-CZ3 3.8Å; R19-W29 WeakPolarHBondContact O-CZ3 3.08Å; R19-E30 PolarHBondContact NH2-O 2.78Å; R19-Q31 PolarHBondContact NH1-O 2.89Å; R19-Q31 PolarHBondContact NH2-O 2.79Å; R19-Q32 VanDerWaalsContact NH1-C 3.32Å; R19-E33 VanDerWaalsContact NH1-N 3.19Å; R19-V255 HydrophobicContact CB-CG1 4.45Å; R19-D256 HydrophobicContact CB-CB 4.14Å; R19-D256 HydrophobicContact CG-CB 4.12Å; R19-D256 IonicContact CZ-OD2 3.44Å; R19-D256 PolarHBondContact NE-O 2.88Å; R19-D256 IonicContact NE-OD2 2.84Å; R19-D256 PolarHBondContact NE-OD2 3.01Å; R19-D256 VanDerWaalsContact NH2-CG 3.26Å; R19-D256 IonicContact NH2-OD1 2.61Å; R19-D256 PolarHBondContact NH2-OD1 2.91Å; R19-D256 IonicContact NH2-OD2 2.89Å; R19-D256 PolarHBondContact NH2-OD2 3.34Å; R19-V258 HydrophobicContact CG-CG2 3.84Å |
| 20 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 151.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V8 L9 F22 W29 E30 V34 | V8-A20 CarbonylContact O-C 3.49Å; V8-A20 WeakPolarHBondContact O-CA 3.38Å; L9-A20 HydrophobicContact CG-CB 4.29Å; A20-F22 HydrophobicContact CB-CE1 4.44Å; A20-F22 HydrophobicContact CB-CE2 4.06Å; A20-F22 HydrophobicContact CB-CZ 3.85Å; A20-W29 WeakPolarHBondContact O-CA 3.48Å; A20-E30 HydrophobicContact CB-CG 4.19Å; A20-E30 WeakPolarHBondContact O-CG 3.37Å; A20-E30 PolarHBondContact O-N 3.46Å; A20-V34 HydrophobicContact CB-CB 4.23Å; A20-V34 HydrophobicContact CB-CG2 3.57Å |
| 21 | I | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.8 | 168.9 | -60.7 | 160.7 | 0 | 0 | 0 | 106.9 | G7 V8 P27 W29 L307 L310 F311 | G7-I21 CarbonylContact C-O 3.43Å; G7-I21 WeakPolarHBondContact CA-O 3.46Å; V8-I21 PolarHBondContact N-O 2.86Å; V8-I21 PolarHBondContact O-N 2.87Å; I21-P27 HydrophobicContact CG2-CB 3.48Å; I21-P27 VanDerWaalsContact CG2-CB 3.48Å; I21-W29 HydrophobicContact CD1-CD2 3.82Å; I21-W29 HydrophobicContact CD1-CE3 3.84Å; I21-W29 HydrophobicContact CD1-CH2 3.66Å; I21-W29 HydrophobicContact CD1-CZ2 3.65Å; I21-W29 HydrophobicContact CD1-CZ3 3.77Å; I21-W29 HydrophobicContact CG1-CD2 3.7Å; I21-W29 HydrophobicContact CG1-CE3 3.5Å; I21-W29 HydrophobicContact CG1-CG 4.27Å; I21-W29 HydrophobicContact CG1-CH2 4.21Å; I21-W29 HydrophobicContact CG1-CZ2 4.4Å; I21-W29 HydrophobicContact CG1-CZ3 3.77Å; I21-L307 HydrophobicContact CB-CD1 4.43Å; I21-L307 HydrophobicContact CD1-CD1 3.57Å; I21-L307 HydrophobicContact CG2-CD1 4.18Å; I21-L310 HydrophobicContact CD1-CB 4.42Å; I21-L310 HydrophobicContact CD1-CD1 3.53Å; I21-L310 HydrophobicContact CG1-CD1 4.06Å; I21-F311 HydrophobicContact CD1-CE2 4.04Å |
| 22 | F | 95.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 162.7 | 176.3 | -63.6 | -57.4 | 0 | 0 | 0 | 112.3 | A20 A24 E30 V34 V42 | A20-F22 HydrophobicContact CB-CE1 4.44Å; A20-F22 HydrophobicContact CB-CE2 4.06Å; A20-F22 HydrophobicContact CB-CZ 3.85Å; F22-A24 PolarHBondContact O-N 2.81Å; F22-E30 HydrophobicContact CD2-CG 3.75Å; F22-E30 WeakPolarHBondContact CD2-OE1 3.47Å; F22-E30 HydrophobicContact CE2-CG 3.7Å; F22-V34 HydrophobicContact CE2-CG2 4.23Å; F22-V34 HydrophobicContact CZ-CG2 4.32Å; F22-V42 HydrophobicContact CE1-CG2 3.51Å; F22-V42 HydrophobicContact CZ-CB 4.32Å; F22-V42 HydrophobicContact CZ-CG2 3.78Å |
| 23 | A | 92.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | trans | -59 | 121.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | M6 N192 | M6-A23 HydrophobicContact CB-CB 4.09Å; M6-A23 HydrophobicContact CE-CB 3.77Å; M6-A23 PolarHBondContact O-N 2.03Å; M6-A23 HydrophobicContact SD-CB 4.43Å; A23-N192 HydrophobicContact CB-CB 4.2Å | ||
| 24 | A | 92.5 | Very high | 96.3 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | trans | -149.2 | 169.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | F22 A26 P27 N192 | F22-A24 PolarHBondContact O-N 2.81Å; A24-A26 PolarHBondContact O-N 2.95Å; A24-P27 WeakPolarHBondContact O-CD 2.96Å; A24-P27 WeakPolarHBondContact O-CG 3.32Å; A24-N192 WeakPolarHBondContact CA-ND2 3.25Å | ||
| 25 | A | 88.9 | Confident | 96.3 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 66% | 0.661 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -61.4 | -35.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N192 | A25-N192 WeakPolarHBondContact CA-OD1 3.47Å; A25-N192 PolarHBondContact N-OD1 3.46Å |
| 26 | A | 92.1 | Very high | 96.3 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 51% | 0.512 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -130.8 | 86 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109 | A24 A28 Q306 | A24-A26 PolarHBondContact O-N 2.95Å; A26-A28 PolarHBondContact O-N 2.95Å; A26-Q306 HydrophobicContact CB-CG 4.17Å |
| 27 | P | 94.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 5% | 0.045 | 28% | 0.277 | C | S | . | . | trans | -56.7 | 134.6 | 177.7 | -25.6 | 35.2 | 0 | 0 | 0 | 111.5 | I21 A24 Q304 Q306 | I21-P27 HydrophobicContact CG2-CB 3.48Å; I21-P27 VanDerWaalsContact CG2-CB 3.48Å; A24-P27 WeakPolarHBondContact O-CD 2.96Å; A24-P27 WeakPolarHBondContact O-CG 3.32Å; P27-Q304 VanDerWaalsContact CD-NE2 3.3Å; P27-Q304 HydrophobicContact CG-CG 4.16Å; P27-Q306 WeakPolarHBondContact O-CB 3.34Å | ||
| 28 | A | 97.2 | Very high | 96.3 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | trans | -132.7 | 165.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A26 | A26-A28 PolarHBondContact O-N 2.95Š| ||
| 29 | W | 98.2 | Very high | 96.1 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 15% | 0.148 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 136.9 | 167.1 | -67.5 | 110.1 | 0 | 0 | 0 | 110.7 | R19 A20 I21 V255 D256 F311 I314 | R19-W29 HydrophobicContact CB-CE3 3.83Å; R19-W29 HydrophobicContact CB-CZ3 3.8Å; R19-W29 WeakPolarHBondContact O-CZ3 3.08Å; A20-W29 WeakPolarHBondContact O-CA 3.48Å; I21-W29 HydrophobicContact CD1-CD2 3.82Å; I21-W29 HydrophobicContact CD1-CE3 3.84Å; I21-W29 HydrophobicContact CD1-CH2 3.66Å; I21-W29 HydrophobicContact CD1-CZ2 3.65Å; I21-W29 HydrophobicContact CD1-CZ3 3.77Å; I21-W29 HydrophobicContact CG1-CD2 3.7Å; I21-W29 HydrophobicContact CG1-CE3 3.5Å; I21-W29 HydrophobicContact CG1-CG 4.27Å; I21-W29 HydrophobicContact CG1-CH2 4.21Å; I21-W29 HydrophobicContact CG1-CZ2 4.4Å; I21-W29 HydrophobicContact CG1-CZ3 3.77Å; W29-V255 HydrophobicContact CH2-CG1 3.46Å; W29-V255 VanDerWaalsContact CH2-CG1 3.46Å; W29-V255 HydrophobicContact CZ2-CG1 3.85Å; W29-V255 HydrophobicContact CZ3-CG1 4.04Å; W29-D256 HydrophobicContact CB-CB 4.27Å; W29-D256 VanDerWaalsContact CB-CG 3.43Å; W29-D256 WeakPolarHBondContact CB-OD2 3.16Å; W29-D256 HydrophobicContact CD2-CB 3.5Å; W29-D256 HydrophobicContact CE3-CB 3.92Å; W29-D256 HydrophobicContact CG-CB 3.64Å; W29-D256 VanDerWaalsContact CG-OD2 3.31Å; W29-D256 HydrophobicContact CZ2-CB 4.44Å; W29-F311 HydrophobicContact CH2-CE2 4.21Å; W29-F311 HydrophobicContact CH2-CZ 4.17Å; W29-F311 HydrophobicContact CZ2-CE2 4.32Å; W29-I314 HydrophobicContact CZ2-CD1 3.76Å |
| 30 | E | 97.3 | Very high | 95.9 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 36% | 0.36 | 33% | 0.334 | S | S | . | . | trans | -60.2 | 143.5 | 170.4 | -65.9 | -62.1 | 122.6 | 0 | 0 | 110.4 | R19 A20 F22 Q32 V34 | R19-E30 PolarHBondContact NH2-O 2.78Å; A20-E30 HydrophobicContact CB-CG 4.19Å; A20-E30 WeakPolarHBondContact O-CG 3.37Å; A20-E30 PolarHBondContact O-N 3.46Å; F22-E30 HydrophobicContact CD2-CG 3.75Å; F22-E30 WeakPolarHBondContact CD2-OE1 3.47Å; F22-E30 HydrophobicContact CE2-CG 3.7Å; E30-Q32 VanDerWaalsContact C-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.76Å; E30-V34 HydrophobicContact CB-CG2 4.48Å; E30-V34 HydrophobicContact CG-CG2 4.36Å | ||
| 31 | Q | 96.6 | Very high | 95.7 | Very high | 174 Ų | 174 | 57.1 Ų | 57.1 | 81% | 0.813 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -61.3 | -40.7 | -176.1 | -68 | -175.6 | -14.5 | 0 | 0 | 112.1 | R19 | R19-Q31 PolarHBondContact NH1-O 2.89Å; R19-Q31 PolarHBondContact NH2-O 2.79Å |
| 32 | Q | 96.8 | Very high | 95.5 | Very high | 145 Ų | 145 | 58.2 Ų | 58.2 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -108.1 | 157.2 | -178.7 | -60.2 | -57.6 | -38.9 | 0 | 0 | 111.5 | R19 E30 V34 | R19-Q32 VanDerWaalsContact NH1-C 3.32Å; E30-Q32 VanDerWaalsContact C-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.76Å; Q32-V34 PolarHBondContact O-N 3.08Å |
| 33 | E | 97.7 | Very high | 95.5 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 134.4 | 167.2 | -69.3 | -179.9 | 177.6 | 0 | 0 | 108.9 | V12 K15 A17 R19 | V12-E33 HydrophobicContact CG2-CG 4.42Å; K15-E33 WeakPolarHBondContact CD-OE2 3.5Å; K15-E33 IonicContact NZ-OE1 3.35Å; K15-E33 PolarHBondContact NZ-OE1 3.47Å; K15-E33 IonicContact NZ-OE2 2.75Å; K15-E33 PolarHBondContact NZ-OE2 2.81Å; A17-E33 HydrophobicContact CB-CB 4.16Å; R19-E33 VanDerWaalsContact NH1-N 3.19Å |
| 34 | V | 97.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 56 Ų | 56 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 118.4 | 175.1 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | A17 A18 A20 F22 E30 Q32 L36 V42 | A17-V34 CarbonylContact C-O 3.59Å; A17-V34 WeakPolarHBondContact CA-O 3.46Å; A18-V34 PolarHBondContact N-O 3.27Å; A18-V34 PolarHBondContact O-N 2.99Å; A20-V34 HydrophobicContact CB-CB 4.23Å; A20-V34 HydrophobicContact CB-CG2 3.57Å; F22-V34 HydrophobicContact CE2-CG2 4.23Å; F22-V34 HydrophobicContact CZ-CG2 4.32Å; E30-V34 HydrophobicContact CB-CG2 4.48Å; E30-V34 HydrophobicContact CG-CG2 4.36Å; Q32-V34 PolarHBondContact O-N 3.08Å; V34-L36 PolarHBondContact O-N 2.82Å; V34-V42 HydrophobicContact CG1-CG1 3.7Å |
| 35 | D | 98 | Very high | 95.7 | Very high | 81 Ų | 81 | 60 Ų | 60 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.3 | 171 | -172.5 | -5.4 | 0 | 0 | 0 | 110 | T37 P38 | D35-T37 VanDerWaalsContact CG-OG1 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 2.98Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.24Å; D35-T37 PolarHBondContact OD1-N 3.46Å; D35-T37 PolarHBondContact OD1-OG1 3.38Å; D35-T37 PolarHBondContact OD2-OG1 2.82Å; D35-T37 VanDerWaalsContact OD2-OG1 3.12Å; D35-P38 HydrophobicContact CB-CG 4.46Å |
| 36 | L | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -90.8 | -12.7 | -179.5 | -57.1 | -179.6 | 0 | 0 | 0 | 112.3 | L9 V11 Q16 A18 V34 V42 L43 Y110 A112 P113 | L9-L36 HydrophobicContact CD2-CD2 3.72Å; V11-L36 HydrophobicContact CG2-CD1 4.24Å; Q16-L36 WeakPolarHBondContact O-CB 3.44Å; Q16-L36 PolarHBondContact O-N 2.97Å; A18-L36 HydrophobicContact CB-CD1 4.32Å; A18-L36 HydrophobicContact CB-CD2 4.07Å; A18-L36 HydrophobicContact CB-CG 4.43Å; V34-L36 PolarHBondContact O-N 2.82Å; L36-V42 HydrophobicContact CD2-CG1 4.41Å; L36-L43 HydrophobicContact CB-CD1 4.47Å; L36-L43 HydrophobicContact CD1-CD1 4.43Å; L36-L43 HydrophobicContact CD2-CD1 3.9Å; L36-L43 HydrophobicContact CD2-CG 4.26Å; L36-L43 HydrophobicContact CG-CD1 4.5Å; L36-Y110 WeakPolarHBondContact O-CE1 3.33Å; L36-Y110 PolarHBondContact O-OH 3.13Å; L36-A112 HydrophobicContact CB-CB 4.1Å; L36-A112 WeakPolarHBondContact O-CB 3.14Å; L36-P113 HydrophobicContact CD1-CG 4.45Å |
| 37 | T | 98 | Very high | 96.1 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | trans | -72.4 | -31.8 | -173.7 | 68.3 | 0 | 0 | 0 | 0 | 116.4 | Q16 D35 A39 A112 | Q16-T37 HydrophobicContact CB-CG2 3.72Å; Q16-T37 HydrophobicContact CG-CG2 4.47Å; D35-T37 VanDerWaalsContact CG-OG1 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 2.98Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.24Å; D35-T37 PolarHBondContact OD1-N 3.46Å; D35-T37 PolarHBondContact OD1-OG1 3.38Å; D35-T37 PolarHBondContact OD2-OG1 2.82Å; D35-T37 VanDerWaalsContact OD2-OG1 3.12Å; T37-A39 PolarHBondContact O-N 3.24Å; T37-A112 HydrophobicContact CG2-CB 4.27Å | ||
| 38 | P | 97.1 | Very high | 96.1 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | trans | -66.5 | 135.8 | -175.2 | -22.4 | 34.6 | 0 | 0 | 0 | 112.6 | D35 D40 G41 | D35-P38 HydrophobicContact CB-CG 4.46Å; P38-D40 VanDerWaalsContact CB-OD1 3.32Å; P38-D40 WeakPolarHBondContact CB-OD1 3.49Å; P38-D40 PolarHBondContact O-N 3.48Å; P38-G41 WeakPolarHBondContact O-CA 3.19Å; P38-G41 PolarHBondContact O-N 3.29Å | ||
| 39 | A | 95.2 | Very high | 95.9 | Very high | 54 Ų | 54 | 55 Ų | 55 | 45% | 0.446 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -21.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T37 G44 E45 T48 | T37-A39 PolarHBondContact O-N 3.24Å; A39-G44 CarbonylContact O-C 3.55Å; A39-G44 VanDerWaalsContact O-CA 3.28Å; A39-G44 WeakPolarHBondContact O-CA 3.5Å; A39-E45 PolarHBondContact O-N 3.45Å; A39-T48 PolarHBondContact O-OG1 3.27Å |
| 40 | D | 93.9 | Very high | 95.7 | Very high | 123 Ų | 123 | 53.2 Ų | 53.2 | 66% | 0.658 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 11 | 168.9 | 64.1 | -22.2 | 0 | 0 | 0 | 112 | P38 E45 | P38-D40 VanDerWaalsContact CB-OD1 3.32Å; P38-D40 WeakPolarHBondContact CB-OD1 3.49Å; P38-D40 PolarHBondContact O-N 3.48Å; D40-E45 WeakPolarHBondContact O-CG 3.36Å |
| 41 | G | 94.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 51 Ų | 51 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -80.8 | 177 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P38 L43 G44 E45 | P38-G41 WeakPolarHBondContact O-CA 3.19Å; P38-G41 PolarHBondContact O-N 3.29Å; G41-L43 VanDerWaalsContact C-N 3.27Å; G41-L43 PolarHBondContact O-N 2.61Å; G41-L43 VanDerWaalsContact O-N 3.12Å; G41-G44 PolarHBondContact O-N 3.44Å; G41-G44 VanDerWaalsContact O-N 3.09Å; G41-E45 WeakPolarHBondContact O-CG 3.26Å; G41-E45 PolarHBondContact O-N 2.98Å |
| 42 | V | 92.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -39.6 | -174.8 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | L9 F22 V34 L36 | L9-V42 HydrophobicContact CD2-CG1 3.71Å; L9-V42 HydrophobicContact CD2-CG2 4.49Å; F22-V42 HydrophobicContact CE1-CG2 3.51Å; F22-V42 HydrophobicContact CZ-CB 4.32Å; F22-V42 HydrophobicContact CZ-CG2 3.78Å; V34-V42 HydrophobicContact CG1-CG1 3.7Å; L36-V42 HydrophobicContact CD2-CG1 4.41Å |
| 43 | L | 95.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -42.7 | 175.5 | -68.1 | -173.8 | 0 | 0 | 0 | 110.8 | L9 L36 G41 E45 L46 F47 L95 W102 Y110 I121 | L9-L43 HydrophobicContact CD2-CD2 4.41Å; L9-L43 HydrophobicContact CD2-CG 4.39Å; L36-L43 HydrophobicContact CB-CD1 4.47Å; L36-L43 HydrophobicContact CD1-CD1 4.43Å; L36-L43 HydrophobicContact CD2-CD1 3.9Å; L36-L43 HydrophobicContact CD2-CG 4.26Å; L36-L43 HydrophobicContact CG-CD1 4.5Å; G41-L43 VanDerWaalsContact C-N 3.27Å; G41-L43 PolarHBondContact O-N 2.61Å; G41-L43 VanDerWaalsContact O-N 3.12Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 2.71Å; L43-L46 WeakPolarHBondContact O-CB 3.32Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-L46 VanDerWaalsContact O-N 3.07Å; L43-F47 WeakPolarHBondContact O-CD2 3.47Å; L43-L95 HydrophobicContact CD2-CD1 4.01Å; L43-W102 HydrophobicContact CD1-CH2 4.16Å; L43-W102 HydrophobicContact CD1-CZ2 4.12Å; L43-Y110 HydrophobicContact CB-CE2 4.15Å; L43-Y110 WeakPolarHBondContact CB-OH 3.46Å; L43-I121 HydrophobicContact CD1-CD1 3.91Å; L43-I121 HydrophobicContact CD2-CG2 4.05Å |
| 44 | G | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.2 | -45.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | A39 G41 L46 F47 T48 | A39-G44 CarbonylContact O-C 3.55Å; A39-G44 VanDerWaalsContact O-CA 3.28Å; A39-G44 WeakPolarHBondContact O-CA 3.5Å; G41-G44 PolarHBondContact O-N 3.44Å; G41-G44 VanDerWaalsContact O-N 3.09Å; G44-L46 PolarHBondContact O-N 3.26Å; G44-L46 VanDerWaalsContact O-N 3.15Å; G44-F47 PolarHBondContact O-N 2.94Å; G44-T48 WeakPolarHBondContact O-CB 3.34Å; G44-T48 PolarHBondContact O-N 2.9Å; G44-T48 PolarHBondContact O-OG1 3.36Å |
| 45 | E | 93.8 | Very high | 95.4 | Very high | 120 Ų | 120 | 47 Ų | 47 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.2 | -28.3 | 179.7 | -72.3 | -171.7 | 156.3 | 0 | 0 | 113.6 | A39 D40 G41 L43 P49 | A39-E45 PolarHBondContact O-N 3.45Å; D40-E45 WeakPolarHBondContact O-CG 3.36Å; G41-E45 WeakPolarHBondContact O-CG 3.26Å; G41-E45 PolarHBondContact O-N 2.98Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 2.71Å; E45-P49 WeakPolarHBondContact O-CD 3.43Å |
| 46 | L | 93.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.6 | -38.5 | 176.7 | -63.2 | 175 | 0 | 0 | 0 | 111.7 | L43 G44 W93 L95 C123 | L43-L46 WeakPolarHBondContact O-CB 3.32Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-L46 VanDerWaalsContact O-N 3.07Å; G44-L46 PolarHBondContact O-N 3.26Å; G44-L46 VanDerWaalsContact O-N 3.15Å; L46-W93 HydrophobicContact CB-CD2 4.3Å; L46-W93 HydrophobicContact CB-CH2 4.39Å; L46-W93 HydrophobicContact CB-CZ2 4.12Å; L46-W93 HydrophobicContact CD1-CE3 4.46Å; L46-W93 HydrophobicContact CD2-CB 4.28Å; L46-W93 HydrophobicContact CD2-CD2 4.16Å; L46-W93 HydrophobicContact CD2-CG 3.93Å; L46-W93 VanDerWaalsContact O-CZ2 3.27Å; L46-W93 WeakPolarHBondContact O-CZ2 3.35Å; L46-L95 HydrophobicContact CD1-CD1 4.27Å; L46-C123 HydrophobicContact CD1-CB 4.17Å |
| 47 | F | 95.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -95.8 | -32.2 | -172.5 | -65.4 | -78 | 0 | 0 | 0 | 113.7 | L43 G44 P49 F50 F51 V84 W93 L95 W102 P103 M105 Y110 | L43-F47 WeakPolarHBondContact O-CD2 3.47Å; G44-F47 PolarHBondContact O-N 2.94Å; F47-P49 VanDerWaalsContact C-CD 3.47Å; F47-P49 VanDerWaalsContact C-N 3.34Å; F47-F50 WeakPolarHBondContact O-CA 3.48Å; F47-F50 WeakPolarHBondContact O-CB 3.45Å; F47-F50 PolarHBondContact O-N 3.33Å; F47-F51 HydrophobicContact CB-CD2 4.01Å; F47-F51 HydrophobicContact CB-CE2 3.83Å; F47-F51 VanDerWaalsContact O-CD2 3.31Å; F47-F51 WeakPolarHBondContact O-CD2 3.43Å; F47-F51 PolarHBondContact O-N 2.96Å; F47-F51 VanDerWaalsContact O-N 3.16Å; F47-V84 HydrophobicContact CE1-CB 4.39Å; F47-V84 HydrophobicContact CE1-CG1 4.29Å; F47-V84 HydrophobicContact CE1-CG2 4.15Å; F47-V84 HydrophobicContact CZ-CG2 4.49Å; F47-W93 AromaticContact CD1-CH2 3.99Å; F47-W93 HydrophobicContact CD1-CH2 3.99Å; F47-W93 AromaticContact CE1-CH2 3.69Å; F47-W93 HydrophobicContact CE1-CH2 3.69Å; F47-W93 HydrophobicContact CE1-CZ3 4.37Å; F47-W93 HydrophobicContact CZ-CH2 4.15Å; F47-W93 HydrophobicContact CZ-CZ3 4.44Å; F47-L95 HydrophobicContact CE2-CD1 4.18Å; F47-L95 HydrophobicContact CZ-CD1 4.06Å; F47-W102 AromaticContact CE2-CH2 3.93Å; F47-W102 HydrophobicContact CE2-CH2 3.93Å; F47-W102 AromaticContact CE2-CZ2 3.78Å; F47-W102 HydrophobicContact CE2-CZ2 3.78Å; F47-W102 AromaticContact CZ-CH2 3.95Å; F47-W102 HydrophobicContact CZ-CH2 3.95Å; F47-W102 HydrophobicContact CZ-CZ2 4.04Å; F47-P103 HydrophobicContact CE1-CB 4.2Å; F47-P103 HydrophobicContact CE1-CG 3.86Å; F47-P103 HydrophobicContact CZ-CB 4.24Å; F47-P103 HydrophobicContact CZ-CG 3.98Å; F47-M105 HydrophobicContact CD1-CE 4.17Å; F47-M105 HydrophobicContact CD1-SD 4.11Å; F47-M105 HydrophobicContact CE1-CE 4.48Å; F47-M105 HydrophobicContact CE1-SD 3.97Å; F47-Y110 HydrophobicContact CB-CD2 3.8Å; F47-Y110 HydrophobicContact CB-CG 4.41Å; F47-Y110 AromaticContact CD2-CD2 3.51Å; F47-Y110 HydrophobicContact CD2-CD2 3.51Å; F47-Y110 AromaticContact CD2-CE2 3.55Å; F47-Y110 HydrophobicContact CD2-CE2 3.55Å; F47-Y110 HydrophobicContact CE2-CD2 4.37Å; F47-Y110 HydrophobicContact CE2-CE2 4.04Å; F47-Y110 AromaticContact CG-CD2 3.9Å; F47-Y110 HydrophobicContact CG-CD2 3.9Å; F47-Y110 HydrophobicContact CG-CE2 4.37Å |
| 48 | T | 95.2 | Very high | 95.1 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.7 | -41.4 | -175.7 | -70.2 | 0 | 0 | 0 | 0 | 113.4 | A39 G44 F50 F51 T52 | A39-T48 PolarHBondContact O-OG1 3.27Å; G44-T48 WeakPolarHBondContact O-CB 3.34Å; G44-T48 PolarHBondContact O-N 2.9Å; G44-T48 PolarHBondContact O-OG1 3.36Å; T48-F50 VanDerWaalsContact C-N 3.27Å; T48-F50 PolarHBondContact O-N 2.91Å; T48-F51 PolarHBondContact O-N 2.8Å; T48-F51 VanDerWaalsContact O-N 3.14Å; T48-T52 PolarHBondContact O-N 2.94Å; T48-T52 PolarHBondContact O-OG1 3.3Å |
| 49 | P | 93.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 21% | 0.214 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -32.4 | 174.6 | -27.1 | 37.1 | 0 | 0 | 0 | 114.1 | E45 F47 T55 Y59 | E45-P49 WeakPolarHBondContact O-CD 3.43Å; F47-P49 VanDerWaalsContact C-CD 3.47Å; F47-P49 VanDerWaalsContact C-N 3.34Å; P49-T55 WeakPolarHBondContact O-CB 3.31Å; P49-T55 PolarHBondContact O-OG1 2.81Å; P49-Y59 HydrophobicContact CB-CD2 4.43Å; P49-Y59 HydrophobicContact CB-CE1 4.25Å; P49-Y59 HydrophobicContact CB-CE2 3.48Å; P49-Y59 VanDerWaalsContact CB-CE2 3.48Å; P49-Y59 WeakPolarHBondContact CB-OH 3.13Å |
| 50 | F | 94 | Very high | 95.2 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.9 | -35.2 | 174.5 | 161.1 | -94.2 | 0 | 0 | 0 | 112.1 | F47 T48 T52 K56 Y59 V61 M105 Y147 Q149 | F47-F50 WeakPolarHBondContact O-CA 3.48Å; F47-F50 WeakPolarHBondContact O-CB 3.45Å; F47-F50 PolarHBondContact O-N 3.33Å; T48-F50 VanDerWaalsContact C-N 3.27Å; T48-F50 PolarHBondContact O-N 2.91Å; F50-T52 VanDerWaalsContact C-N 3.31Å; F50-K56 HydrophobicContact CD2-CG 4.46Å; F50-K56 VanDerWaalsContact O-CB 3.25Å; F50-K56 WeakPolarHBondContact O-CB 3.49Å; F50-K56 WeakPolarHBondContact O-CD 3.42Å; F50-K56 WeakPolarHBondContact O-CG 3.07Å; F50-Y59 HydrophobicContact CB-CD1 4.5Å; F50-Y59 HydrophobicContact CB-CG 4.47Å; F50-V61 HydrophobicContact CB-CG2 4.48Å; F50-V61 HydrophobicContact CD2-CB 4.46Å; F50-V61 HydrophobicContact CD2-CG2 3.51Å; F50-V61 HydrophobicContact CE2-CB 4.42Å; F50-V61 HydrophobicContact CE2-CG2 3.94Å; F50-V61 HydrophobicContact CG-CG2 4.08Å; F50-M105 HydrophobicContact CD1-CE 3.55Å; F50-M105 HydrophobicContact CE1-CE 3.42Å; F50-M105 VanDerWaalsContact CE1-CE 3.42Å; F50-M105 HydrophobicContact CG-CE 4.23Å; F50-M105 HydrophobicContact CZ-CE 3.98Å; F50-Y147 AromaticContact CE2-CE1 3.98Å; F50-Y147 HydrophobicContact CE2-CE1 3.98Å; F50-Y147 AromaticContact CZ-CE1 3.58Å; F50-Y147 HydrophobicContact CZ-CE1 3.58Å; F50-Y147 AromaticContact CZ-CZ 3.79Å; F50-Y147 WeakPolarHBondContact CZ-OH 3.45Å; F50-Q149 HydrophobicContact CE2-CB 4.26Å |
| 51 | F | 95.5 | Very high | 95.4 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -80.1 | -11.1 | 178.6 | -70.1 | -65.5 | 0 | 0 | 0 | 113.9 | F47 T48 M105 A107 | F47-F51 HydrophobicContact CB-CD2 4.01Å; F47-F51 HydrophobicContact CB-CE2 3.83Å; F47-F51 VanDerWaalsContact O-CD2 3.31Å; F47-F51 WeakPolarHBondContact O-CD2 3.43Å; F47-F51 PolarHBondContact O-N 2.96Å; F47-F51 VanDerWaalsContact O-N 3.16Å; T48-F51 PolarHBondContact O-N 2.8Å; T48-F51 VanDerWaalsContact O-N 3.14Å; F51-M105 HydrophobicContact CZ-CE 4.42Å; F51-A107 WeakPolarHBondContact CD1-O 3.29Å; F51-A107 WeakPolarHBondContact CE1-O 3.27Å |
| 52 | T | 96.3 | Very high | 95.6 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -85.3 | 120.8 | 179.4 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | T48 F50 Q54 T55 K56 | T48-T52 PolarHBondContact O-N 2.94Å; T48-T52 PolarHBondContact O-OG1 3.3Å; F50-T52 VanDerWaalsContact C-N 3.31Å; T52-Q54 HydrophobicContact CG2-CB 4.5Å; T52-Q54 PolarHBondContact O-N 2.87Å; T52-Q54 VanDerWaalsContact O-N 3.11Å; T52-T55 WeakPolarHBondContact CB-OG1 3.47Å; T52-T55 PolarHBondContact O-N 3.3Å; T52-T55 PolarHBondContact O-OG1 3.4Å; T52-K56 VanDerWaalsContact O-CB 3.31Å; T52-K56 WeakPolarHBondContact O-CB 3.35Å; T52-K56 PolarHBondContact O-N 3.15Å |
| 53 | A | 94.9 | Very high | 95.9 | Very high | 75 Ų | 75 | 38 Ų | 38 | 62% | 0.62 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P57 | A53-P57 VanDerWaalsContact O-CD 3.26Å; A53-P57 WeakPolarHBondContact O-CD 3.26Å |
| 54 | Q | 96.3 | Very high | 96 | Very high | 153 Ų | 153 | 38.1 Ų | 38.1 | 72% | 0.715 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -33.8 | -178.7 | -66.7 | 74.5 | 13.3 | 0 | 0 | 112.6 | T52 | T52-Q54 HydrophobicContact CG2-CB 4.5Å; T52-Q54 PolarHBondContact O-N 2.87Å; T52-Q54 VanDerWaalsContact O-N 3.11Å |
| 55 | T | 95.7 | Very high | 96.2 | Very high | 48 Ų | 48 | 38.1 Ų | 38.1 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -24.2 | -176.3 | 46 | 0 | 0 | 0 | 0 | 112.8 | P49 T52 P57 N58 Y59 | P49-T55 WeakPolarHBondContact O-CB 3.31Å; P49-T55 PolarHBondContact O-OG1 2.81Å; T52-T55 WeakPolarHBondContact CB-OG1 3.47Å; T52-T55 PolarHBondContact O-N 3.3Å; T52-T55 PolarHBondContact O-OG1 3.4Å; T55-P57 VanDerWaalsContact C-N 3.32Å; T55-N58 VanDerWaalsContact O-CB 3.31Å; T55-N58 WeakPolarHBondContact O-CB 3.31Å; T55-N58 PolarHBondContact O-N 3.42Å; T55-Y59 WeakPolarHBondContact O-CD2 3.49Å |
| 56 | K | 95.6 | Very high | 96.4 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -47.8 | -42.7 | 179.2 | -175.9 | 170.3 | -174.1 | 167.5 | 0 | 114.1 | F50 T52 N58 Y59 Q149 | F50-K56 HydrophobicContact CD2-CG 4.46Å; F50-K56 VanDerWaalsContact O-CB 3.25Å; F50-K56 WeakPolarHBondContact O-CB 3.49Å; F50-K56 WeakPolarHBondContact O-CD 3.42Å; F50-K56 WeakPolarHBondContact O-CG 3.07Å; T52-K56 VanDerWaalsContact O-CB 3.31Å; T52-K56 WeakPolarHBondContact O-CB 3.35Å; T52-K56 PolarHBondContact O-N 3.15Å; K56-N58 PolarHBondContact O-N 3.44Å; K56-N58 VanDerWaalsContact O-N 3.12Å; K56-Y59 PolarHBondContact O-N 3.36Å; K56-Y59 VanDerWaalsContact O-N 3.08Å; K56-Q149 PolarHBondContact O-NE2 2.81Å |
| 57 | P | 96.5 | Very high | 96.5 | Very high | 48 Ų | 48 | 33.7 Ų | 33.7 | 31% | 0.312 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -60.6 | -19.7 | 177.3 | -25.9 | 37 | 0 | 0 | 0 | 114.8 | A53 T55 A151 T152 T153 | A53-P57 VanDerWaalsContact O-CD 3.26Å; A53-P57 WeakPolarHBondContact O-CD 3.26Å; T55-P57 VanDerWaalsContact C-N 3.32Å; P57-A151 CarbonylContact O-C 3.5Å; P57-A151 VanDerWaalsContact O-CA 3.26Å; P57-A151 WeakPolarHBondContact O-CA 3.49Å; P57-T152 PolarHBondContact O-N 2.86Å; P57-T152 PolarHBondContact O-OG1 2.9Å; P57-T153 HydrophobicContact CB-CG2 4.06Å |
| 58 | N | 96.8 | Very high | 96.6 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -88.8 | -10 | -179.8 | -51.8 | -14.8 | 0 | 0 | 0 | 112.6 | T55 K56 T88 A151 T153 | T55-N58 VanDerWaalsContact O-CB 3.31Å; T55-N58 WeakPolarHBondContact O-CB 3.31Å; T55-N58 PolarHBondContact O-N 3.42Å; K56-N58 PolarHBondContact O-N 3.44Å; K56-N58 VanDerWaalsContact O-N 3.12Å; N58-T88 HydrophobicContact CB-CG2 4.47Å; N58-T88 WeakPolarHBondContact O-CA 3.27Å; N58-T88 WeakPolarHBondContact O-CB 3.5Å; N58-A151 WeakPolarHBondContact O-CB 3.34Å; N58-T153 WeakPolarHBondContact CA-OG1 3.43Å; N58-T153 WeakPolarHBondContact OD1-CG2 3.29Å; N58-T153 PolarHBondContact OD1-OG1 3.46Å; N58-T153 VanDerWaalsContact OD1-OG1 3.05Å |
| 59 | Y | 96.4 | Very high | 96.8 | Very high | 41 Ų | 41 | 32.3 Ų | 32.3 | 16% | 0.161 | 18% | 0.178 | C | C | . | . | trans | -99.7 | 130 | -170.9 | -89.8 | -95.3 | 0 | 0 | 0 | 112.6 | P49 F50 T55 K56 T88 Q149 A151 | P49-Y59 HydrophobicContact CB-CD2 4.43Å; P49-Y59 HydrophobicContact CB-CE1 4.25Å; P49-Y59 HydrophobicContact CB-CE2 3.48Å; P49-Y59 VanDerWaalsContact CB-CE2 3.48Å; P49-Y59 WeakPolarHBondContact CB-OH 3.13Å; F50-Y59 HydrophobicContact CB-CD1 4.5Å; F50-Y59 HydrophobicContact CB-CG 4.47Å; T55-Y59 WeakPolarHBondContact O-CD2 3.49Å; K56-Y59 PolarHBondContact O-N 3.36Å; K56-Y59 VanDerWaalsContact O-N 3.08Å; Y59-T88 HydrophobicContact CD1-CG2 4.3Å; Y59-T88 HydrophobicContact CD2-CG2 3.99Å; Y59-T88 HydrophobicContact CE1-CG2 4.11Å; Y59-T88 HydrophobicContact CE2-CG2 3.77Å; Y59-T88 HydrophobicContact CG-CG2 4.24Å; Y59-Q149 PolarHBondContact O-NE2 2.83Å; Y59-A151 PolarHBondContact O-N 3.37Å | ||
| 60 | N | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132 | 161.4 | -65.1 | -70.6 | 0 | 0 | 0 | 109.2 | G86 Y87 T88 Q149 S150 A151 T157 S158 I159 | N60-G86 WeakPolarHBondContact O-CA 3.34Å; N60-Y87 HydrophobicContact CB-CD1 3.68Å; N60-Y87 HydrophobicContact CB-CD2 4.14Å; N60-Y87 HydrophobicContact CB-CE1 3.27Å; N60-Y87 HydrophobicContact CB-CE2 3.74Å; N60-Y87 HydrophobicContact CB-CG 4.08Å; N60-Y87 WeakPolarHBondContact CB-O 3.49Å; N60-Y87 PolarHBondContact N-O 2.77Å; N60-Y87 VanDerWaalsContact ND2-CE2 3.28Å; N60-Y87 WeakPolarHBondContact ND2-CE2 3.05Å; N60-Y87 PolarHBondContact O-N 2.89Å; N60-T88 PolarHBondContact ND2-O 2.85Å; N60-Q149 CarbonylContact C-O 3.48Å; N60-Q149 VanDerWaalsContact CA-O 3.25Å; N60-Q149 WeakPolarHBondContact CA-O 3.13Å; N60-S150 WeakPolarHBondContact OD1-CA 3.33Å; N60-A151 WeakPolarHBondContact ND2-CB 3.37Å; N60-A151 PolarHBondContact OD1-N 2.95Å; N60-T157 PolarHBondContact ND2-O 2.77Å; N60-S158 WeakPolarHBondContact OD1-CA 3.21Å; N60-I159 HydrophobicContact CB-CD1 4.14Å; N60-I159 HydrophobicContact CB-CG1 3.98Å; N60-I159 PolarHBondContact OD1-N 2.83Å |
| 61 | V | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134.5 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | F50 V84 L85 M105 Y147 Y148 Q149 I159 | F50-V61 HydrophobicContact CB-CG2 4.48Å; F50-V61 HydrophobicContact CD2-CB 4.46Å; F50-V61 HydrophobicContact CD2-CG2 3.51Å; F50-V61 HydrophobicContact CE2-CB 4.42Å; F50-V61 HydrophobicContact CE2-CG2 3.94Å; F50-V61 HydrophobicContact CG-CG2 4.08Å; V61-V84 HydrophobicContact CG1-CG1 3.82Å; V61-L85 CarbonylContact C-O 3.53Å; V61-L85 VanDerWaalsContact CA-O 3.26Å; V61-L85 WeakPolarHBondContact CA-O 3.33Å; V61-M105 HydrophobicContact CG1-CE 3.89Å; V61-Y147 HydrophobicContact CG1-CD1 4.39Å; V61-Y148 CarbonylContact O-C 3.5Å; V61-Y148 WeakPolarHBondContact O-CA 3.4Å; V61-Y148 WeakPolarHBondContact O-CB 3.49Å; V61-Q149 PolarHBondContact N-O 3.46Å; V61-Q149 PolarHBondContact O-N 3.06Å; V61-I159 WeakPolarHBondContact O-CD1 3.36Å |
| 62 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 116.4 | 165 | -60.1 | 177.9 | 0 | 0 | 0 | 107.3 | V84 L85 I145 I159 L165 L168 T169 | I62-V84 CarbonylContact O-C 3.55Å; I62-V84 WeakPolarHBondContact O-CA 3.14Å; I62-L85 HydrophobicContact CB-CB 4.44Å; I62-L85 PolarHBondContact N-O 2.84Å; I62-L85 PolarHBondContact O-N 3.46Å; I62-I145 HydrophobicContact CG2-CD1 3.83Å; I62-I145 HydrophobicContact CG2-CG1 4.49Å; I62-I145 HydrophobicContact CG2-CG2 4.16Å; I62-I159 HydrophobicContact CD1-CD1 4.12Å; I62-I159 HydrophobicContact CD1-CG1 4.33Å; I62-I159 HydrophobicContact CD1-CG2 4.25Å; I62-I159 HydrophobicContact CG1-CD1 3.58Å; I62-I159 HydrophobicContact CG1-CG1 4.31Å; I62-L165 HydrophobicContact CD1-CB 4.2Å; I62-L165 HydrophobicContact CD1-CD2 3.88Å; I62-L168 HydrophobicContact CD1-CD1 4.27Å; I62-T169 HydrophobicContact CD1-CG2 4.4Å |
| 63 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G83 V84 M105 Y146 Y147 | A63-G83 WeakPolarHBondContact CA-O 2.98Å; A63-V84 HydrophobicContact CB-CG1 4.33Å; A63-V84 HydrophobicContact CB-CG2 3.91Å; A63-M105 HydrophobicContact CB-CG 3.66Å; A63-Y146 VanDerWaalsContact C-CE1 3.42Å; A63-Y146 HydrophobicContact CB-CD1 4.28Å; A63-Y146 HydrophobicContact CB-CE1 3.5Å; A63-Y146 HydrophobicContact CB-CE2 4.2Å; A63-Y146 VanDerWaalsContact CB-CZ 3.46Å; A63-Y146 WeakPolarHBondContact CB-OH 3.35Å; A63-Y146 VanDerWaalsContact O-CD1 3.29Å; A63-Y146 WeakPolarHBondContact O-CD1 3.49Å; A63-Y146 PolarHBondContact O-N 2.79Å; A63-Y147 PolarHBondContact N-O 3.18Å; A63-Y147 PolarHBondContact O-N 3.38Å |
| 64 | F | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.1 | -174.2 | 56.2 | -87 | 0 | 0 | 0 | 111.6 | A81 K82 G83 W94 W134 L138 P143 V144 I145 | F64-A81 HydrophobicContact CD2-CB 4.15Å; F64-A81 HydrophobicContact CE2-CB 4.08Å; F64-K82 VanDerWaalsContact CE2-C 3.45Å; F64-K82 CarbonylContact O-C 3.59Å; F64-K82 VanDerWaalsContact O-CA 3.23Å; F64-K82 WeakPolarHBondContact O-CA 3.31Å; F64-G83 WeakPolarHBondContact CD1-O 3.33Å; F64-G83 PolarHBondContact N-O 3.22Å; F64-G83 PolarHBondContact O-N 2.86Å; F64-W94 AromaticContact CZ-NE1 3.94Å; F64-W134 AromaticContact CE1-CH2 3.97Å; F64-W134 HydrophobicContact CE1-CH2 3.97Å; F64-W134 AromaticContact CE1-CZ2 3.85Å; F64-W134 HydrophobicContact CE1-CZ2 3.85Å; F64-W134 HydrophobicContact CZ-CZ2 4.2Å; F64-L138 HydrophobicContact CD1-CD2 4.11Å; F64-L138 HydrophobicContact CE1-CD2 3.87Å; F64-L138 HydrophobicContact CE2-CD1 3.94Å; F64-L138 HydrophobicContact CZ-CD1 3.95Å; F64-L138 HydrophobicContact CZ-CD2 4.09Å; F64-P143 HydrophobicContact CB-CB 4Å; F64-P143 HydrophobicContact CD2-CB 3.96Å; F64-P143 HydrophobicContact CG-CB 4.16Å; F64-V144 CarbonylContact C-O 3.59Å; F64-V144 WeakPolarHBondContact CA-O 3.06Å; F64-V144 WeakPolarHBondContact CB-O 3.48Å; F64-I145 HydrophobicContact CB-CD1 3.6Å; F64-I145 HydrophobicContact CG-CD1 4.39Å |
| 65 | S | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 135.3 | 178.3 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | F67 P68 A81 K82 V144 | S65-F67 PolarHBondContact O-N 2.8Å; S65-F67 PolarHBondContact OG-N 2.51Å; S65-F67 PolarHBondContact OG-O 2.85Å; S65-F67 VanDerWaalsContact OG-O 3.11Å; S65-P68 WeakPolarHBondContact O-CD 3.34Å; S65-A81 WeakPolarHBondContact CA-O 3.13Å; S65-K82 WeakPolarHBondContact OG-CD 3.31Å; S65-K82 WeakPolarHBondContact OG-CG 3.45Å; S65-V144 PolarHBondContact N-O 3.47Å |
| 66 | N | 97.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.059 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -74.6 | -5.9 | 164.8 | 72.3 | -18.6 | 0 | 0 | 0 | 113.9 | P74 L75 S79 K82 | N66-P74 CarbonylContact O-C 3.46Å; N66-P74 WeakPolarHBondContact O-CA 3.5Å; N66-L75 HydrophobicContact CB-CB 4.14Å; N66-L75 PolarHBondContact ND2-O 3.27Å; N66-L75 PolarHBondContact O-N 2.93Å; N66-S79 WeakPolarHBondContact CB-O 3.43Å; N66-K82 VanDerWaalsContact OD1-CE 3.28Å; N66-K82 WeakPolarHBondContact OD1-CE 3.39Å; N66-K82 PolarHBondContact OD1-NZ 3.01Å |
| 67 | F | 97.6 | Very high | 96 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 17% | 0.167 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -134.2 | 66 | 174.7 | -164.6 | -163.6 | 0 | 0 | 0 | 109.3 | S65 F71 P74 Q101 | S65-F67 PolarHBondContact O-N 2.8Å; S65-F67 PolarHBondContact OG-N 2.51Å; S65-F67 PolarHBondContact OG-O 2.85Å; S65-F67 VanDerWaalsContact OG-O 3.11Å; F67-F71 HydrophobicContact CD2-CB 3.85Å; F67-F71 HydrophobicContact CE2-CB 4.01Å; F67-F71 WeakPolarHBondContact CE2-O 3.31Å; F67-P74 HydrophobicContact CB-CB 3.92Å; F67-P74 HydrophobicContact CD1-CB 4.33Å; F67-P74 HydrophobicContact CD2-CB 4.49Å; F67-P74 HydrophobicContact CG-CB 4.02Å; F67-Q101 HydrophobicContact CD1-CG 4.27Å; F67-Q101 HydrophobicContact CD2-CG 3.87Å; F67-Q101 HydrophobicContact CE1-CG 3.89Å; F67-Q101 HydrophobicContact CE2-CG 3.46Å; F67-Q101 VanDerWaalsContact CE2-CG 3.46Å; F67-Q101 HydrophobicContact CG-CG 4.26Å; F67-Q101 HydrophobicContact CZ-CG 3.47Å; F67-Q101 VanDerWaalsContact CZ-CG 3.47Å; F67-Q101 WeakPolarHBondContact O-CA 3.31Å; F67-Q101 PolarHBondContact O-N 2.72Å |
| 68 | P | 97.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | trans | -70.2 | 168.2 | -178.1 | 32.7 | -34.8 | 0 | 0 | 0 | 110.2 | S65 F71 Y146 | S65-P68 WeakPolarHBondContact O-CD 3.34Å; P68-F71 HydrophobicContact CG-CD1 4.03Å; P68-F71 HydrophobicContact CG-CD2 3.54Å; P68-F71 HydrophobicContact CG-CE1 4.02Å; P68-F71 HydrophobicContact CG-CE2 3.54Å; P68-F71 HydrophobicContact CG-CG 3.79Å; P68-F71 HydrophobicContact CG-CZ 3.79Å; P68-F71 WeakPolarHBondContact O-CB 3.48Å; P68-F71 PolarHBondContact O-N 3.38Å; P68-Y146 HydrophobicContact CB-CD1 3.85Å; P68-Y146 HydrophobicContact CB-CD2 3.86Å; P68-Y146 HydrophobicContact CB-CE1 4.41Å; P68-Y146 HydrophobicContact CB-CE2 4.41Å; P68-Y146 HydrophobicContact CB-CG 3.54Å; P68-Y146 HydrophobicContact CG-CG 4.45Å | ||
| 69 | P | 97.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 10% | 0.104 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 149.6 | 174.7 | -23.8 | 29.1 | 0 | 0 | 0 | 112.7 | F71 P103 D104 | P69-F71 PolarHBondContact O-N 3.24Å; P69-F71 VanDerWaalsContact O-N 3.07Å; P69-P103 VanDerWaalsContact CG-C 3.44Å; P69-P103 WeakPolarHBondContact CG-O 3.42Å; P69-D104 HydrophobicContact CB-CB 3.93Å; P69-D104 HydrophobicContact CG-CB 3.82Å |
| 70 | K | 94.5 | Very high | 95.3 | Very high | 151 Ų | 151 | 51 Ų | 51 | 66% | 0.657 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -5.8 | 177.4 | -52.2 | 163.3 | -176.8 | 158.1 | 0 | 115.3 | D104 T106 | K70-D104 WeakPolarHBondContact CE-OD2 3.43Å; K70-D104 IonicContact NZ-OD1 2.64Å; K70-D104 IonicContact NZ-OD2 3.81Å; K70-D104 PolarHBondContact NZ-OD2 2.74Å; K70-T106 PolarHBondContact NZ-OG1 2.84Å |
| 71 | F | 96.5 | Very high | 95.2 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | trans | -72.8 | 146 | 170.6 | -83.5 | -136.5 | 0 | 0 | 0 | 110.2 | F67 P68 P69 L75 Q101 | F67-F71 HydrophobicContact CD2-CB 3.85Å; F67-F71 HydrophobicContact CE2-CB 4.01Å; F67-F71 WeakPolarHBondContact CE2-O 3.31Å; P68-F71 HydrophobicContact CG-CD1 4.03Å; P68-F71 HydrophobicContact CG-CD2 3.54Å; P68-F71 HydrophobicContact CG-CE1 4.02Å; P68-F71 HydrophobicContact CG-CE2 3.54Å; P68-F71 HydrophobicContact CG-CG 3.79Å; P68-F71 HydrophobicContact CG-CZ 3.79Å; P68-F71 WeakPolarHBondContact O-CB 3.48Å; P68-F71 PolarHBondContact O-N 3.38Å; P69-F71 PolarHBondContact O-N 3.24Å; P69-F71 VanDerWaalsContact O-N 3.07Å; F71-L75 HydrophobicContact CD1-CG 4.43Å; F71-L75 HydrophobicContact CE1-CD1 4.08Å; F71-L75 HydrophobicContact CE1-CD2 4.09Å; F71-L75 HydrophobicContact CE1-CG 4.03Å; F71-Q101 PolarHBondContact O-NE2 3.39Å | ||
| 72 | R | 95.8 | Very high | 95.2 | Very high | 251 Ų | 251 | 52.2 Ų | 52.2 | 95% | 0.947 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -86.2 | -22.8 | 176.5 | -57.7 | -170.4 | -152.9 | -160.4 | 5.9 | 113.4 | ||
| 73 | A | 95.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 52.2 Ų | 52.2 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -151.6 | 154.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 74 | P | 95 | Very high | 95.2 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | trans | -67.8 | 146.6 | 174.2 | 28.8 | -35.7 | 0 | 0 | 0 | 111.7 | N66 F67 S76 | N66-P74 CarbonylContact O-C 3.46Å; N66-P74 WeakPolarHBondContact O-CA 3.5Å; F67-P74 HydrophobicContact CB-CB 3.92Å; F67-P74 HydrophobicContact CD1-CB 4.33Å; F67-P74 HydrophobicContact CD2-CB 4.49Å; F67-P74 HydrophobicContact CG-CB 4.02Å; P74-S76 PolarHBondContact O-N 3.29Å | ||
| 75 | L | 94.7 | Very high | 95.2 | Very high | 54 Ų | 54 | 52 Ų | 52 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | trans | -71.9 | 95.4 | 169.3 | -60.1 | 174.3 | 0 | 0 | 0 | 109.3 | N66 F71 T77 Y78 V144 | N66-L75 HydrophobicContact CB-CB 4.14Å; N66-L75 PolarHBondContact ND2-O 3.27Å; N66-L75 PolarHBondContact O-N 2.93Å; F71-L75 HydrophobicContact CD1-CG 4.43Å; F71-L75 HydrophobicContact CE1-CD1 4.08Å; F71-L75 HydrophobicContact CE1-CD2 4.09Å; F71-L75 HydrophobicContact CE1-CG 4.03Å; L75-T77 VanDerWaalsContact C-N 3.31Å; L75-T77 PolarHBondContact O-N 3.17Å; L75-Y78 HydrophobicContact CB-CD2 3.77Å; L75-Y78 HydrophobicContact CB-CG 4.28Å; L75-Y78 HydrophobicContact CD1-CD2 4.39Å; L75-Y78 PolarHBondContact O-N 2.73Å; L75-V144 HydrophobicContact CD1-CG1 4.03Å; L75-V144 HydrophobicContact CD1-CG2 4.03Å | ||
| 76 | S | 87.9 | Confident | 95.2 | Very high | 95 Ų | 95 | 52 Ų | 52 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -18.8 | -169.4 | 60.9 | 0 | 0 | 0 | 0 | 115.1 | P74 M295 | P74-S76 PolarHBondContact O-N 3.29Å; S76-M295 WeakPolarHBondContact O-CE 3.5Å |
| 77 | T | 85.8 | Confident | 95.2 | Very high | 108 Ų | 108 | 51.7 Ų | 51.7 | 66% | 0.663 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.7 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | L75 | L75-T77 VanDerWaalsContact C-N 3.31Å; L75-T77 PolarHBondContact O-N 3.17Å |
| 78 | Y | 88.1 | Confident | 95.1 | Very high | 118 Ų | 118 | 51.3 Ų | 51.3 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -112.9 | 169.9 | -177.1 | -69.4 | -97.8 | 0 | 0 | 0 | 110.9 | L75 V144 M295 | L75-Y78 HydrophobicContact CB-CD2 3.77Å; L75-Y78 HydrophobicContact CB-CG 4.28Å; L75-Y78 HydrophobicContact CD1-CD2 4.39Å; L75-Y78 PolarHBondContact O-N 2.73Å; Y78-V144 HydrophobicContact CD1-CG2 3.76Å; Y78-V144 HydrophobicContact CG-CG2 3.86Å; Y78-M295 WeakPolarHBondContact O-CE 3.44Å |
| 79 | S | 91.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -51.4 | 129.7 | 176.8 | -167 | 0 | 0 | 0 | 0 | 113.6 | N66 A81 E141 D142 | N66-S79 WeakPolarHBondContact CB-O 3.43Å; S79-A81 PolarHBondContact O-N 3.01Å; S79-A81 WeakPolarHBondContact OG-CB 3.03Å; S79-A81 PolarHBondContact OG-N 3.24Å; S79-E141 WeakPolarHBondContact CB-O 3.04Å; S79-E141 PolarHBondContact OG-O 3.38Å; S79-D142 WeakPolarHBondContact CB-O 3.22Å | ||
| 80 | P | 94.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | trans | -70.4 | -12.1 | 175.3 | 31.6 | -38.4 | 0 | 0 | 0 | 114 | K82 D285 W292 | P80-K82 WeakPolarHBondContact O-CG 3.45Å; P80-K82 PolarHBondContact O-N 3.06Å; P80-K82 PolarHBondContact O-NZ 3.12Å; P80-D285 HydrophobicContact CB-CB 4.02Å; P80-D285 HydrophobicContact CG-CB 3.69Å; P80-D285 WeakPolarHBondContact CG-O 3.46Å; P80-D285 WeakPolarHBondContact CG-OD1 3.34Å; P80-W292 HydrophobicContact CB-CH2 3.69Å; P80-W292 HydrophobicContact CB-CZ3 4.09Å; P80-W292 HydrophobicContact CG-CH2 3.55Å; P80-W292 HydrophobicContact CG-CZ3 3.4Å | ||
| 81 | A | 97.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | trans | -51.1 | 134.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F64 S65 S79 E141 P143 | F64-A81 HydrophobicContact CD2-CB 4.15Å; F64-A81 HydrophobicContact CE2-CB 4.08Å; S65-A81 WeakPolarHBondContact CA-O 3.13Å; S79-A81 PolarHBondContact O-N 3.01Å; S79-A81 WeakPolarHBondContact OG-CB 3.03Å; S79-A81 PolarHBondContact OG-N 3.24Å; A81-E141 WeakPolarHBondContact CB-OE2 3.31Å; A81-P143 HydrophobicContact CB-CB 4.4Å | ||
| 82 | K | 98.5 | Very high | 94.8 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 10% | 0.104 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.1 | 173.4 | -42.3 | -179.3 | 169 | 52.8 | 0 | 110.3 | F64 S65 N66 P80 T96 H97 V99 | F64-K82 VanDerWaalsContact CE2-C 3.45Å; F64-K82 CarbonylContact O-C 3.59Å; F64-K82 VanDerWaalsContact O-CA 3.23Å; F64-K82 WeakPolarHBondContact O-CA 3.31Å; S65-K82 WeakPolarHBondContact OG-CD 3.31Å; S65-K82 WeakPolarHBondContact OG-CG 3.45Å; N66-K82 VanDerWaalsContact OD1-CE 3.28Å; N66-K82 WeakPolarHBondContact OD1-CE 3.39Å; N66-K82 PolarHBondContact OD1-NZ 3.01Å; P80-K82 WeakPolarHBondContact O-CG 3.45Å; P80-K82 PolarHBondContact O-N 3.06Å; P80-K82 PolarHBondContact O-NZ 3.12Å; K82-T96 WeakPolarHBondContact O-CA 3.49Å; K82-T96 PolarHBondContact O-OG1 2.56Å; K82-H97 VanDerWaalsContact CB-CE1 3.42Å; K82-H97 WeakPolarHBondContact CB-CE1 3.35Å; K82-H97 WeakPolarHBondContact CB-O 3.22Å; K82-H97 PolarHBondContact O-N 3.23Å; K82-V99 VanDerWaalsContact CD-O 3.24Å; K82-V99 WeakPolarHBondContact CD-O 3.47Å |
| 83 | G | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A63 F64 L95 | A63-G83 WeakPolarHBondContact CA-O 2.98Å; F64-G83 WeakPolarHBondContact CD1-O 3.33Å; F64-G83 PolarHBondContact N-O 3.22Å; F64-G83 PolarHBondContact O-N 2.86Å; G83-L95 CarbonylContact C-O 3.58Å; G83-L95 WeakPolarHBondContact CA-O 3.4Å |
| 84 | V | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 128.4 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | F47 V61 I62 A63 W93 W94 L95 P103 M105 | F47-V84 HydrophobicContact CE1-CB 4.39Å; F47-V84 HydrophobicContact CE1-CG1 4.29Å; F47-V84 HydrophobicContact CE1-CG2 4.15Å; F47-V84 HydrophobicContact CZ-CG2 4.49Å; V61-V84 HydrophobicContact CG1-CG1 3.82Å; I62-V84 CarbonylContact O-C 3.55Å; I62-V84 WeakPolarHBondContact O-CA 3.14Å; A63-V84 HydrophobicContact CB-CG1 4.33Å; A63-V84 HydrophobicContact CB-CG2 3.91Å; V84-W93 HydrophobicContact CB-CH2 4.04Å; V84-W93 HydrophobicContact CB-CZ3 3.82Å; V84-W93 HydrophobicContact CG1-CH2 3.57Å; V84-W93 HydrophobicContact CG1-CZ3 3.83Å; V84-W94 WeakPolarHBondContact O-CA 3.29Å; V84-L95 PolarHBondContact N-O 3.02Å; V84-L95 PolarHBondContact O-N 2.91Å; V84-P103 HydrophobicContact CG2-CG 3.57Å; V84-M105 HydrophobicContact CG2-SD 4.44Å |
| 85 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.2 | 161.8 | 173.4 | 68.7 | 0 | 0 | 0 | 107.7 | V61 I62 Y87 W94 L126 W134 L165 | V61-L85 CarbonylContact C-O 3.53Å; V61-L85 VanDerWaalsContact CA-O 3.26Å; V61-L85 WeakPolarHBondContact CA-O 3.33Å; I62-L85 HydrophobicContact CB-CB 4.44Å; I62-L85 PolarHBondContact N-O 2.84Å; I62-L85 PolarHBondContact O-N 3.46Å; L85-Y87 HydrophobicContact CD1-CD1 4.4Å; L85-Y87 HydrophobicContact CD2-CD1 4.06Å; L85-Y87 HydrophobicContact CD2-CE1 3.97Å; L85-Y87 HydrophobicContact CG-CD1 3.99Å; L85-Y87 HydrophobicContact CG-CE1 4.37Å; L85-W94 HydrophobicContact CD1-CB 4.5Å; L85-L126 HydrophobicContact CD1-CD2 3.65Å; L85-W134 HydrophobicContact CB-CH2 3.67Å; L85-W134 HydrophobicContact CB-CZ2 4.1Å; L85-W134 HydrophobicContact CB-CZ3 4.13Å; L85-W134 HydrophobicContact CD2-CE3 3.89Å; L85-W134 HydrophobicContact CD2-CH2 3.97Å; L85-W134 HydrophobicContact CD2-CZ3 3.5Å; L85-W134 HydrophobicContact CG-CH2 4.35Å; L85-W134 HydrophobicContact CG-CZ3 4.34Å; L85-L165 HydrophobicContact CD2-CD2 3.67Å |
| 86 | G | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N60 G92 W93 | N60-G86 WeakPolarHBondContact O-CA 3.34Å; G86-G92 CarbonylContact O-C 3.59Å; G86-G92 VanDerWaalsContact O-CA 3.3Å; G86-G92 WeakPolarHBondContact O-CA 3.49Å; G86-W93 PolarHBondContact N-O 2.63Å; G86-W93 PolarHBondContact O-N 2.87Å |
| 87 | Y | 96.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 164 | 178.7 | 70.5 | -80.3 | 0 | 0 | 0 | 111.9 | N60 L85 F128 M131 T157 I159 L165 | N60-Y87 HydrophobicContact CB-CD1 3.68Å; N60-Y87 HydrophobicContact CB-CD2 4.14Å; N60-Y87 HydrophobicContact CB-CE1 3.27Å; N60-Y87 HydrophobicContact CB-CE2 3.74Å; N60-Y87 HydrophobicContact CB-CG 4.08Å; N60-Y87 WeakPolarHBondContact CB-O 3.49Å; N60-Y87 PolarHBondContact N-O 2.77Å; N60-Y87 VanDerWaalsContact ND2-CE2 3.28Å; N60-Y87 WeakPolarHBondContact ND2-CE2 3.05Å; N60-Y87 PolarHBondContact O-N 2.89Å; L85-Y87 HydrophobicContact CD1-CD1 4.4Å; L85-Y87 HydrophobicContact CD2-CD1 4.06Å; L85-Y87 HydrophobicContact CD2-CE1 3.97Å; L85-Y87 HydrophobicContact CG-CD1 3.99Å; L85-Y87 HydrophobicContact CG-CE1 4.37Å; Y87-F128 HydrophobicContact CD2-CD2 4.13Å; Y87-F128 HydrophobicContact CD2-CE2 4.03Å; Y87-F128 HydrophobicContact CE2-CD2 4.33Å; Y87-F128 AromaticContact CE2-CE2 3.8Å; Y87-F128 HydrophobicContact CE2-CE2 3.8Å; Y87-M131 VanDerWaalsContact CB-CE 3.45Å; Y87-M131 HydrophobicContact CD1-CE 4.09Å; Y87-M131 HydrophobicContact CD1-SD 3.87Å; Y87-M131 HydrophobicContact CD2-CE 4.02Å; Y87-M131 HydrophobicContact CD2-SD 3.78Å; Y87-M131 HydrophobicContact CE1-SD 4.14Å; Y87-M131 HydrophobicContact CE2-SD 4.08Å; Y87-M131 HydrophobicContact CG-CE 3.6Å; Y87-M131 HydrophobicContact CG-SD 3.7Å; Y87-T157 VanDerWaalsContact CE2-O 3.29Å; Y87-T157 WeakPolarHBondContact CE2-O 3.07Å; Y87-T157 PolarHBondContact OH-O 2.96Å; Y87-T157 VanDerWaalsContact OH-O 3.06Å; Y87-I159 HydrophobicContact CE1-CG1 4.46Å; Y87-L165 HydrophobicContact CE1-CD1 4.01Å; Y87-L165 VanDerWaalsContact OH-CD1 3.25Å; Y87-L165 WeakPolarHBondContact OH-CD1 3.36Å |
| 88 | T | 96 | Very high | 96.3 | Very high | 30 Ų | 30 | 24.4 Ų | 24.4 | 18% | 0.184 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -102.1 | -108.1 | 172.9 | 61 | 0 | 0 | 0 | 0 | 110.4 | N58 Y59 N60 T157 | N58-T88 HydrophobicContact CB-CG2 4.47Å; N58-T88 WeakPolarHBondContact O-CA 3.27Å; N58-T88 WeakPolarHBondContact O-CB 3.5Å; Y59-T88 HydrophobicContact CD1-CG2 4.3Å; Y59-T88 HydrophobicContact CD2-CG2 3.99Å; Y59-T88 HydrophobicContact CE1-CG2 4.11Å; Y59-T88 HydrophobicContact CE2-CG2 3.77Å; Y59-T88 HydrophobicContact CG-CG2 4.24Å; N60-T88 PolarHBondContact ND2-O 2.85Å; T88-T157 PolarHBondContact O-OG1 2.98Å |
| 89 | D | 94.8 | Very high | 96.8 | Very high | 82 Ų | 82 | 19.6 Ų | 19.6 | 44% | 0.439 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -114.1 | 5.4 | 175.9 | 58.4 | -18.6 | 0 | 0 | 0 | 112.3 | T157 | D89-T157 WeakPolarHBondContact CA-OG1 3.46Å; D89-T157 HydrophobicContact CB-CG2 4.05Å |
| 90 | T | 94.3 | Very high | 97 | Very high | 81 Ų | 81 | 20.8 Ų | 20.8 | 50% | 0.497 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -135 | -163 | -179.2 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | G92 | T90-G92 PolarHBondContact O-N 3.14Š|
| 91 | D | 95.1 | Very high | 97.2 | Very high | 89 Ų | 89 | 25 Ų | 25 | 48% | 0.476 | 14% | 0.141 | S | C | . | . | trans | -50.7 | 139.5 | 176.3 | -69.6 | -8.1 | 0 | 0 | 0 | 111.5 | P127 F128 | D91-P127 VanDerWaalsContact OD1-CA 3.28Å; D91-P127 WeakPolarHBondContact OD1-CA 3.41Å; D91-F128 PolarHBondContact OD1-N 3.12Å | ||
| 92 | G | 95.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | -163.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | G86 T90 S125 L126 | G86-G92 CarbonylContact O-C 3.59Å; G86-G92 VanDerWaalsContact O-CA 3.3Å; G86-G92 WeakPolarHBondContact O-CA 3.49Å; T90-G92 PolarHBondContact O-N 3.14Å; G92-S125 CarbonylContact O-C 3.58Å; G92-S125 WeakPolarHBondContact O-CA 3.29Å; G92-L126 PolarHBondContact N-O 3.27Å; G92-L126 PolarHBondContact O-N 2.87Å |
| 93 | W | 96.4 | Very high | 97.2 | Very high | 21 Ų | 21 | 24.5 Ų | 24.5 | 8% | 0.08 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.1 | 170.4 | 56.2 | -94.3 | 0 | 0 | 0 | 110 | L46 F47 V84 G86 L95 L124 | L46-W93 HydrophobicContact CB-CD2 4.3Å; L46-W93 HydrophobicContact CB-CH2 4.39Å; L46-W93 HydrophobicContact CB-CZ2 4.12Å; L46-W93 HydrophobicContact CD1-CE3 4.46Å; L46-W93 HydrophobicContact CD2-CB 4.28Å; L46-W93 HydrophobicContact CD2-CD2 4.16Å; L46-W93 HydrophobicContact CD2-CG 3.93Å; L46-W93 VanDerWaalsContact O-CZ2 3.27Å; L46-W93 WeakPolarHBondContact O-CZ2 3.35Å; F47-W93 AromaticContact CD1-CH2 3.99Å; F47-W93 HydrophobicContact CD1-CH2 3.99Å; F47-W93 AromaticContact CE1-CH2 3.69Å; F47-W93 HydrophobicContact CE1-CH2 3.69Å; F47-W93 HydrophobicContact CE1-CZ3 4.37Å; F47-W93 HydrophobicContact CZ-CH2 4.15Å; F47-W93 HydrophobicContact CZ-CZ3 4.44Å; V84-W93 HydrophobicContact CB-CH2 4.04Å; V84-W93 HydrophobicContact CB-CZ3 3.82Å; V84-W93 HydrophobicContact CG1-CH2 3.57Å; V84-W93 HydrophobicContact CG1-CZ3 3.83Å; G86-W93 PolarHBondContact N-O 2.63Å; G86-W93 PolarHBondContact O-N 2.87Å; W93-L95 HydrophobicContact CE3-CB 4.1Å; W93-L95 HydrophobicContact CZ3-CB 3.88Å; W93-L124 CarbonylContact C-O 3.5Å; W93-L124 VanDerWaalsContact CA-O 3.25Å; W93-L124 WeakPolarHBondContact CA-O 3.36Å |
| 94 | W | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.9 | 172.1 | 169.8 | 36.7 | 0 | 0 | 0 | 108.6 | F64 V84 L85 L124 L126 W134 F186 F198 V300 | F64-W94 AromaticContact CZ-NE1 3.94Å; V84-W94 WeakPolarHBondContact O-CA 3.29Å; L85-W94 HydrophobicContact CD1-CB 4.5Å; W94-L124 HydrophobicContact CE3-CD1 3.94Å; W94-L124 HydrophobicContact CZ3-CD1 4.19Å; W94-L124 PolarHBondContact N-O 3.35Å; W94-L124 PolarHBondContact O-N 3.41Å; W94-L126 HydrophobicContact CB-CB 4.31Å; W94-L126 HydrophobicContact CB-CD2 4.33Å; W94-W134 AromaticContact CD1-CZ2 3.9Å; W94-W134 AromaticContact CD1-NE1 3.9Å; W94-W134 AromaticContact CD2-CD1 3.91Å; W94-W134 AromaticContact CD2-NE1 3.19Å; W94-W134 AromaticContact CE2-NE1 3.23Å; W94-W134 AromaticContact CE3-CD1 3.71Å; W94-W134 AromaticContact CE3-NE1 3.48Å; W94-W134 HydrophobicContact CG-CZ2 4.36Å; W94-W134 AromaticContact CG-NE1 3.65Å; W94-W134 AromaticContact CH2-NE1 3.74Å; W94-W134 AromaticContact CZ2-NE1 3.53Å; W94-W134 AromaticContact CZ3-CD1 3.82Å; W94-W134 AromaticContact CZ3-NE1 3.75Å; W94-W134 AromaticContact NE1-CZ2 3.91Å; W94-W134 AromaticContact NE1-NE1 3.72Å; W94-F186 HydrophobicContact CE3-CZ 4.19Å; W94-F186 HydrophobicContact CZ3-CE1 4.27Å; W94-F186 HydrophobicContact CZ3-CZ 4.27Å; W94-F198 HydrophobicContact CH2-CB 4.18Å; W94-F198 AromaticContact CH2-CD1 3.75Å; W94-F198 HydrophobicContact CH2-CD1 3.75Å; W94-F198 AromaticContact CH2-CD2 3.74Å; W94-F198 HydrophobicContact CH2-CD2 3.74Å; W94-F198 AromaticContact CH2-CE1 3.98Å; W94-F198 HydrophobicContact CH2-CE1 3.98Å; W94-F198 AromaticContact CH2-CE2 3.99Å; W94-F198 HydrophobicContact CH2-CE2 3.99Å; W94-F198 AromaticContact CH2-CG 3.63Å; W94-F198 HydrophobicContact CH2-CG 3.63Å; W94-F198 HydrophobicContact CH2-CZ 4.11Å; W94-F198 HydrophobicContact CZ2-CE1 4.39Å; W94-F198 HydrophobicContact CZ2-CE2 4.37Å; W94-F198 HydrophobicContact CZ2-CZ 4.29Å; W94-F198 HydrophobicContact CZ3-CB 4.25Å; W94-F198 HydrophobicContact CZ3-CD1 4.18Å; W94-F198 HydrophobicContact CZ3-CG 4.12Å; W94-V300 HydrophobicContact CH2-CB 4.31Å; W94-V300 HydrophobicContact CH2-CG1 4.01Å; W94-V300 HydrophobicContact CH2-CG2 3.31Å; W94-V300 HydrophobicContact CZ2-CG2 3.86Å; W94-V300 HydrophobicContact CZ3-CG1 3.93Å; W94-V300 HydrophobicContact CZ3-CG2 4.11Å |
| 95 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.1 | 173.7 | -172.6 | 158.2 | 0 | 0 | 0 | 108.2 | L43 L46 F47 G83 V84 W93 H97 W102 I121 V122 | L43-L95 HydrophobicContact CD2-CD1 4.01Å; L46-L95 HydrophobicContact CD1-CD1 4.27Å; F47-L95 HydrophobicContact CE2-CD1 4.18Å; F47-L95 HydrophobicContact CZ-CD1 4.06Å; G83-L95 CarbonylContact C-O 3.58Å; G83-L95 WeakPolarHBondContact CA-O 3.4Å; V84-L95 PolarHBondContact N-O 3.02Å; V84-L95 PolarHBondContact O-N 2.91Å; W93-L95 HydrophobicContact CE3-CB 4.1Å; W93-L95 HydrophobicContact CZ3-CB 3.88Å; L95-H97 HydrophobicContact CD2-CB 4.02Å; L95-H97 WeakPolarHBondContact CD2-CD2 3.04Å; L95-W102 HydrophobicContact CD1-CH2 3.91Å; L95-W102 HydrophobicContact CD1-CZ3 4.43Å; L95-W102 HydrophobicContact CD2-CH2 4.18Å; L95-W102 HydrophobicContact CD2-CZ3 3.87Å; L95-I121 HydrophobicContact CD1-CG2 3.89Å; L95-I121 HydrophobicContact CD2-CG2 3.89Å; L95-I121 HydrophobicContact CG-CG2 3.86Å; L95-V122 WeakPolarHBondContact CA-O 3.26Å |
| 96 | T | 98.4 | Very high | 97 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.7 | 168.7 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | K82 V122 V283 V300 | K82-T96 WeakPolarHBondContact O-CA 3.49Å; K82-T96 PolarHBondContact O-OG1 2.56Å; T96-V122 HydrophobicContact CG2-CB 3.93Å; T96-V122 PolarHBondContact N-O 3Å; T96-V122 PolarHBondContact O-N 2.76Å; T96-V283 HydrophobicContact CG2-CG1 3.71Å; T96-V300 HydrophobicContact CG2-CG2 4.36Å |
| 97 | H | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 167.7 | -176.2 | 66.7 | 93.8 | 0 | 0 | 0 | 114.7 | K82 L95 V99 W102 L120 I121 | K82-H97 VanDerWaalsContact CB-CE1 3.42Å; K82-H97 WeakPolarHBondContact CB-CE1 3.35Å; K82-H97 WeakPolarHBondContact CB-O 3.22Å; K82-H97 PolarHBondContact O-N 3.23Å; L95-H97 HydrophobicContact CD2-CB 4.02Å; L95-H97 WeakPolarHBondContact CD2-CD2 3.04Å; H97-V99 PolarHBondContact CE1-O 2.89Å; H97-V99 PolarHBondContact ND1-N 2.89Å; H97-V99 PolarHBondContact ND1-O 2.83Å; H97-W102 AromaticContact CD2-CZ3 3.88Å; H97-W102 AromaticContact CE1-CE3 3.81Å; H97-W102 PolarHBondContact CE1-O 2.84Å; H97-W102 AromaticContact CG-CZ3 4Å; H97-W102 AromaticContact ND1-CE3 3.95Å; H97-W102 AromaticContact NE2-CE3 3.95Å; H97-W102 PolarHBondContact NE2-O 3.34Å; H97-L120 CarbonylContact C-O 3.52Å; H97-L120 WeakPolarHBondContact CA-O 3.17Å; H97-L120 WeakPolarHBondContact CB-O 3.24Å; H97-I121 HydrophobicContact CB-CB 4.29Å; H97-I121 HydrophobicContact CB-CG1 3.79Å; H97-I121 HydrophobicContact CB-CG2 4.48Å |
| 98 | S | 97.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | trans | -108.6 | -0.8 | 173.3 | 71.6 | 0 | 0 | 0 | 0 | 114.3 | G119 L120 T266 S267 | S98-G119 WeakPolarHBondContact OG-CA 3.21Å; S98-L120 PolarHBondContact N-O 3.04Å; S98-L120 PolarHBondContact OG-N 3.14Å; S98-T266 WeakPolarHBondContact CB-O 3.41Å; S98-T266 WeakPolarHBondContact CB-OG1 3.45Å; S98-T266 WeakPolarHBondContact O-CB 3.49Å; S98-T266 PolarHBondContact O-OG1 2.82Å; S98-T266 PolarHBondContact OG-OG1 3.49Å; S98-S267 WeakPolarHBondContact OG-CA 3.19Å; S98-S267 PolarHBondContact OG-N 3.1Å | ||
| 99 | V | 98 | Very high | 96.9 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | trans | -69 | 129.7 | -179.9 | -178.1 | 0 | 0 | 0 | 0 | 111 | V11 K82 H97 W102 P113 I121 | V11-V99 HydrophobicContact CG2-CG2 4.18Å; K82-V99 VanDerWaalsContact CD-O 3.24Å; K82-V99 WeakPolarHBondContact CD-O 3.47Å; H97-V99 PolarHBondContact CE1-O 2.89Å; H97-V99 PolarHBondContact ND1-N 2.89Å; H97-V99 PolarHBondContact ND1-O 2.83Å; V99-W102 HydrophobicContact CB-CE3 4.45Å; V99-W102 HydrophobicContact CG1-CB 3.91Å; V99-W102 HydrophobicContact CG1-CG 4.48Å; V99-P113 HydrophobicContact CG1-CB 3.93Å; V99-P113 HydrophobicContact CG1-CG 4.36Å; V99-I121 HydrophobicContact CG2-CD1 4.08Å; V99-I121 HydrophobicContact CG2-CG1 3.99Å | ||
| 100 | G | 97 | Very high | 97 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -83 | 155.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W102 | G100-W102 PolarHBondContact O-N 2.91Š|
| 101 | Q | 97.7 | Very high | 97.2 | Very high | 100 Ų | 100 | 34.5 Ų | 34.5 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 57.1 | 27.1 | 176.4 | -57.4 | 176.2 | -74.1 | 0 | 0 | 115.1 | F67 F71 | F67-Q101 HydrophobicContact CD1-CG 4.27Å; F67-Q101 HydrophobicContact CD2-CG 3.87Å; F67-Q101 HydrophobicContact CE1-CG 3.89Å; F67-Q101 HydrophobicContact CE2-CG 3.46Å; F67-Q101 VanDerWaalsContact CE2-CG 3.46Å; F67-Q101 HydrophobicContact CG-CG 4.26Å; F67-Q101 HydrophobicContact CZ-CG 3.47Å; F67-Q101 VanDerWaalsContact CZ-CG 3.47Å; F67-Q101 WeakPolarHBondContact O-CA 3.31Å; F67-Q101 PolarHBondContact O-N 2.72Å; F71-Q101 PolarHBondContact O-NE2 3.39Å |
| 102 | W | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 31 Ų | 31 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -147.3 | 150.8 | -178.3 | -179.9 | 86.5 | 0 | 0 | 0 | 110.7 | L43 F47 L95 H97 V99 G100 Y110 A111 P113 I121 | L43-W102 HydrophobicContact CD1-CH2 4.16Å; L43-W102 HydrophobicContact CD1-CZ2 4.12Å; F47-W102 AromaticContact CE2-CH2 3.93Å; F47-W102 HydrophobicContact CE2-CH2 3.93Å; F47-W102 AromaticContact CE2-CZ2 3.78Å; F47-W102 HydrophobicContact CE2-CZ2 3.78Å; F47-W102 AromaticContact CZ-CH2 3.95Å; F47-W102 HydrophobicContact CZ-CH2 3.95Å; F47-W102 HydrophobicContact CZ-CZ2 4.04Å; L95-W102 HydrophobicContact CD1-CH2 3.91Å; L95-W102 HydrophobicContact CD1-CZ3 4.43Å; L95-W102 HydrophobicContact CD2-CH2 4.18Å; L95-W102 HydrophobicContact CD2-CZ3 3.87Å; H97-W102 AromaticContact CD2-CZ3 3.88Å; H97-W102 AromaticContact CE1-CE3 3.81Å; H97-W102 PolarHBondContact CE1-O 2.84Å; H97-W102 AromaticContact CG-CZ3 4Å; H97-W102 AromaticContact ND1-CE3 3.95Å; H97-W102 AromaticContact NE2-CE3 3.95Å; H97-W102 PolarHBondContact NE2-O 3.34Å; V99-W102 HydrophobicContact CB-CE3 4.45Å; V99-W102 HydrophobicContact CG1-CB 3.91Å; V99-W102 HydrophobicContact CG1-CG 4.48Å; G100-W102 PolarHBondContact O-N 2.91Å; W102-Y110 HydrophobicContact CZ2-CE2 4.3Å; W102-A111 PolarHBondContact NE1-O 3.41Å; W102-P113 HydrophobicContact CD2-CG 3.76Å; W102-P113 HydrophobicContact CE3-CG 4.29Å; W102-P113 HydrophobicContact CG-CB 4.37Å; W102-P113 HydrophobicContact CG-CG 4Å; W102-P113 HydrophobicContact CZ2-CG 4.17Å; W102-I121 HydrophobicContact CH2-CD1 4.36Å; W102-I121 HydrophobicContact CZ3-CD1 4.24Å | ||
| 103 | P | 98.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | cis | -83.8 | 155.8 | -10.6 | 31.1 | -32.3 | 0 | 0 | 0 | 114.2 | F47 P69 V84 M105 Y146 | F47-P103 HydrophobicContact CE1-CB 4.2Å; F47-P103 HydrophobicContact CE1-CG 3.86Å; F47-P103 HydrophobicContact CZ-CB 4.24Å; F47-P103 HydrophobicContact CZ-CG 3.98Å; P69-P103 VanDerWaalsContact CG-C 3.44Å; P69-P103 WeakPolarHBondContact CG-O 3.42Å; V84-P103 HydrophobicContact CG2-CG 3.57Å; P103-M105 HydrophobicContact CB-SD 4.12Å; P103-M105 HydrophobicContact CG-SD 3.74Å; P103-M105 PolarHBondContact O-N 3.39Å; P103-Y146 WeakPolarHBondContact CD-OH 3.29Å; P103-Y146 PolarHBondContact O-OH 2.75Å | ||
| 104 | D | 97.9 | Very high | 97.4 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | trans | -86.4 | 89.5 | 171.6 | -166.3 | -3.5 | 0 | 0 | 0 | 112.6 | P69 K70 T106 A107 | P69-D104 HydrophobicContact CB-CB 3.93Å; P69-D104 HydrophobicContact CG-CB 3.82Å; K70-D104 WeakPolarHBondContact CE-OD2 3.43Å; K70-D104 IonicContact NZ-OD1 2.64Å; K70-D104 IonicContact NZ-OD2 3.81Å; K70-D104 PolarHBondContact NZ-OD2 2.74Å; D104-T106 PolarHBondContact O-N 3.38Å; D104-T106 WeakPolarHBondContact OD1-CA 3.49Å; D104-T106 WeakPolarHBondContact OD1-CB 3.45Å; D104-T106 PolarHBondContact OD1-N 2.87Å; D104-T106 PolarHBondContact OD1-OG1 2.87Å; D104-A107 HydrophobicContact CB-CB 4.21Å; D104-A107 VanDerWaalsContact O-CB 3.29Å; D104-A107 WeakPolarHBondContact O-CB 3.27Å; D104-A107 PolarHBondContact O-N 3.48Å; D104-A107 VanDerWaalsContact O-N 3.14Å | ||
| 105 | M | 97.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -9.7 | 176.4 | -54.5 | -50.8 | -54 | 0 | 0 | 113.7 | F47 F50 F51 V61 A63 V84 P103 Y146 Y147 | F47-M105 HydrophobicContact CD1-CE 4.17Å; F47-M105 HydrophobicContact CD1-SD 4.11Å; F47-M105 HydrophobicContact CE1-CE 4.48Å; F47-M105 HydrophobicContact CE1-SD 3.97Å; F50-M105 HydrophobicContact CD1-CE 3.55Å; F50-M105 HydrophobicContact CE1-CE 3.42Å; F50-M105 VanDerWaalsContact CE1-CE 3.42Å; F50-M105 HydrophobicContact CG-CE 4.23Å; F50-M105 HydrophobicContact CZ-CE 3.98Å; F51-M105 HydrophobicContact CZ-CE 4.42Å; V61-M105 HydrophobicContact CG1-CE 3.89Å; A63-M105 HydrophobicContact CB-CG 3.66Å; V84-M105 HydrophobicContact CG2-SD 4.44Å; P103-M105 HydrophobicContact CB-SD 4.12Å; P103-M105 HydrophobicContact CG-SD 3.74Å; P103-M105 PolarHBondContact O-N 3.39Å; M105-Y146 HydrophobicContact CB-CE2 4.46Å; M105-Y146 HydrophobicContact CG-CE2 4.11Å; M105-Y147 HydrophobicContact CB-CD1 3.43Å; M105-Y147 VanDerWaalsContact CB-CD1 3.43Å; M105-Y147 HydrophobicContact CB-CD2 3.98Å; M105-Y147 HydrophobicContact CB-CE1 3.9Å; M105-Y147 HydrophobicContact CB-CE2 4.4Å; M105-Y147 HydrophobicContact CB-CG 3.48Å; M105-Y147 VanDerWaalsContact CB-CG 3.48Å; M105-Y147 HydrophobicContact CG-CD1 4.04Å; M105-Y147 HydrophobicContact CG-CG 4.25Å |
| 106 | T | 95.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 37 Ų | 37 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -5.5 | 175.2 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | K70 D104 Y147 | K70-T106 PolarHBondContact NZ-OG1 2.84Å; D104-T106 PolarHBondContact O-N 3.38Å; D104-T106 WeakPolarHBondContact OD1-CA 3.49Å; D104-T106 WeakPolarHBondContact OD1-CB 3.45Å; D104-T106 PolarHBondContact OD1-N 2.87Å; D104-T106 PolarHBondContact OD1-OG1 2.87Å; T106-Y147 HydrophobicContact CG2-CD2 3.91Å; T106-Y147 HydrophobicContact CG2-CE2 4.18Å |
| 107 | A | 95.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -70.7 | 168.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F51 D104 | F51-A107 WeakPolarHBondContact CD1-O 3.29Å; F51-A107 WeakPolarHBondContact CE1-O 3.27Å; D104-A107 HydrophobicContact CB-CB 4.21Å; D104-A107 VanDerWaalsContact O-CB 3.29Å; D104-A107 WeakPolarHBondContact O-CB 3.27Å; D104-A107 PolarHBondContact O-N 3.48Å; D104-A107 VanDerWaalsContact O-N 3.14Å |
| 108 | A | 95.6 | Very high | 97.2 | Very high | 97 Ų | 97 | 40 Ų | 40 | 80% | 0.802 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -82 | -19.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 109 | A | 97 | Very high | 97.2 | Very high | 60 Ų | 60 | 39.1 Ų | 39.1 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -151.9 | 165.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 110 | Y | 96.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 9% | 0.09 | 27% | 0.27 | C | S | . | . | trans | -58 | 136.9 | 171.2 | 171 | -106.1 | 0 | 0 | 0 | 111.1 | L36 L43 F47 W102 A112 | L36-Y110 WeakPolarHBondContact O-CE1 3.33Å; L36-Y110 PolarHBondContact O-OH 3.13Å; L43-Y110 HydrophobicContact CB-CE2 4.15Å; L43-Y110 WeakPolarHBondContact CB-OH 3.46Å; F47-Y110 HydrophobicContact CB-CD2 3.8Å; F47-Y110 HydrophobicContact CB-CG 4.41Å; F47-Y110 AromaticContact CD2-CD2 3.51Å; F47-Y110 HydrophobicContact CD2-CD2 3.51Å; F47-Y110 AromaticContact CD2-CE2 3.55Å; F47-Y110 HydrophobicContact CD2-CE2 3.55Å; F47-Y110 HydrophobicContact CE2-CD2 4.37Å; F47-Y110 HydrophobicContact CE2-CE2 4.04Å; F47-Y110 AromaticContact CG-CD2 3.9Å; F47-Y110 HydrophobicContact CG-CD2 3.9Å; F47-Y110 HydrophobicContact CG-CE2 4.37Å; W102-Y110 HydrophobicContact CZ2-CE2 4.3Å; Y110-A112 HydrophobicContact CE1-CB 4.46Å; Y110-A112 WeakPolarHBondContact OH-CA 3.41Å | ||
| 111 | A | 97.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 37 Ų | 37 | 51% | 0.512 | 26% | 0.257 | S | S | . | . | trans | -132 | 133.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | W102 | W102-A111 PolarHBondContact NE1-O 3.41Š| ||
| 112 | A | 97.8 | Very high | 97.3 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 12% | 0.116 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 158.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L36 T37 Y110 A114 | L36-A112 HydrophobicContact CB-CB 4.1Å; L36-A112 WeakPolarHBondContact O-CB 3.14Å; T37-A112 HydrophobicContact CG2-CB 4.27Å; Y110-A112 HydrophobicContact CE1-CB 4.46Å; Y110-A112 WeakPolarHBondContact OH-CA 3.41Å; A112-A114 PolarHBondContact O-N 2.59Å |
| 113 | P | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -46.4 | 137.8 | 163.5 | -29.6 | 37.6 | 0 | 0 | 0 | 111.4 | Q16 L36 V99 W102 I121 | Q16-P113 WeakPolarHBondContact CG-O 3.47Å; Q16-P113 PolarHBondContact NE2-O 3.44Å; L36-P113 HydrophobicContact CD1-CG 4.45Å; V99-P113 HydrophobicContact CG1-CB 3.93Å; V99-P113 HydrophobicContact CG1-CG 4.36Å; W102-P113 HydrophobicContact CD2-CG 3.76Å; W102-P113 HydrophobicContact CE3-CG 4.29Å; W102-P113 HydrophobicContact CG-CB 4.37Å; W102-P113 HydrophobicContact CG-CG 4Å; W102-P113 HydrophobicContact CZ2-CG 4.17Å; P113-I121 HydrophobicContact CG-CD1 4.05Å |
| 114 | A | 96.9 | Very high | 97.2 | Very high | 83 Ų | 83 | 32 Ų | 32 | 69% | 0.686 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -63.8 | 148.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A112 G116 | A112-A114 PolarHBondContact O-N 2.59Å; A114-G116 PolarHBondContact O-N 3.22Å |
| 115 | A | 97.7 | Very high | 97.1 | Very high | 53 Ų | 53 | 30 Ų | 30 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -58.6 | 126.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q16 | Q16-A115 HydrophobicContact CG-CB 4.2Š|
| 116 | G | 96.6 | Very high | 97.1 | Very high | 20 Ų | 20 | 30 Ų | 30 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | trans | -174.2 | -137.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P13 Q14 A114 | P13-G116 CarbonylContact C-O 3.49Å; P13-G116 WeakPolarHBondContact CA-O 3.42Å; Q14-G116 PolarHBondContact N-O 2.8Å; Q14-G116 PolarHBondContact NE2-O 2.81Å; Q14-G116 VanDerWaalsContact NE2-O 3.12Å; A114-G116 PolarHBondContact O-N 3.22Å | ||
| 117 | N | 97 | Very high | 97.1 | Very high | 84 Ų | 84 | 27.3 Ų | 27.3 | 45% | 0.449 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -67.2 | 152.7 | 175.2 | -72.8 | -7.3 | 0 | 0 | 0 | 111.1 | E264 T266 | N117-E264 CarbonylContact C-O 3.57Å; N117-E264 WeakPolarHBondContact CA-O 3.5Å; N117-E264 VanDerWaalsContact CB-O 3.27Å; N117-E264 WeakPolarHBondContact CB-O 3.38Å; N117-T266 HydrophobicContact CB-CG2 3.93Å |
| 118 | A | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -56.6 | 153 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y10 V11 P13 I260 E264 D265 T266 | Y10-A118 HydrophobicContact CD1-CB 4.42Å; Y10-A118 HydrophobicContact CE1-CB 4.11Å; V11-A118 VanDerWaalsContact O-CA 3.26Å; V11-A118 WeakPolarHBondContact O-CA 3.43Å; V11-A118 VanDerWaalsContact O-CB 3.24Å; V11-A118 WeakPolarHBondContact O-CB 3.48Å; P13-A118 HydrophobicContact CG-CB 3.84Å; A118-I260 HydrophobicContact CB-CD1 3.96Å; A118-I260 HydrophobicContact CB-CG2 3.88Å; A118-E264 WeakPolarHBondContact CB-O 3.35Å; A118-E264 PolarHBondContact N-O 3.13Å; A118-D265 HydrophobicContact CB-CB 4.15Å; A118-D265 WeakPolarHBondContact O-CA 3.44Å; A118-T266 PolarHBondContact O-N 3.19Å; A118-T266 PolarHBondContact O-OG1 3.1Å |
| 119 | G | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 170.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y10 V11 S98 | Y10-G119 CarbonylContact C-O 3.57Å; V11-G119 PolarHBondContact N-O 3.41Å; S98-G119 WeakPolarHBondContact OG-CA 3.21Å |
| 120 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.1 | 178.4 | -166.7 | 71.6 | 0 | 0 | 0 | 108.9 | V8 Y10 H97 S98 V122 F281 V283 F311 | V8-L120 HydrophobicContact CG1-CD1 3.69Å; V8-L120 HydrophobicContact CG1-CG 4.5Å; Y10-L120 HydrophobicContact CD2-CD1 3.64Å; Y10-L120 HydrophobicContact CE2-CD1 4.2Å; Y10-L120 HydrophobicContact CG-CD1 4.1Å; H97-L120 CarbonylContact C-O 3.52Å; H97-L120 WeakPolarHBondContact CA-O 3.17Å; H97-L120 WeakPolarHBondContact CB-O 3.24Å; S98-L120 PolarHBondContact N-O 3.04Å; S98-L120 PolarHBondContact OG-N 3.14Å; L120-V122 HydrophobicContact CD2-CG2 3.94Å; L120-V122 HydrophobicContact CG-CG2 4.06Å; L120-F281 HydrophobicContact CD2-CE1 4.28Å; L120-F281 HydrophobicContact CD2-CZ 3.67Å; L120-V283 HydrophobicContact CD2-CB 3.75Å; L120-V283 HydrophobicContact CD2-CG2 3.69Å; L120-F311 HydrophobicContact CD1-CZ 4.35Å |
| 121 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.1 | 170.7 | -61 | 167.8 | 0 | 0 | 0 | 106.6 | L9 V11 L43 L95 H97 V99 W102 P113 | L9-I121 HydrophobicContact CB-CB 4.27Å; L9-I121 HydrophobicContact CD1-CG2 4.43Å; L9-I121 PolarHBondContact N-O 2.03Å; L9-I121 PolarHBondContact O-N 3.43Å; V11-I121 HydrophobicContact CG2-CD1 3.79Å; V11-I121 HydrophobicContact CG2-CG1 4.23Å; L43-I121 HydrophobicContact CD1-CD1 3.91Å; L43-I121 HydrophobicContact CD2-CG2 4.05Å; L95-I121 HydrophobicContact CD1-CG2 3.89Å; L95-I121 HydrophobicContact CD2-CG2 3.89Å; L95-I121 HydrophobicContact CG-CG2 3.86Å; H97-I121 HydrophobicContact CB-CB 4.29Å; H97-I121 HydrophobicContact CB-CG1 3.79Å; H97-I121 HydrophobicContact CB-CG2 4.48Å; V99-I121 HydrophobicContact CG2-CD1 4.08Å; V99-I121 HydrophobicContact CG2-CG1 3.99Å; W102-I121 HydrophobicContact CH2-CD1 4.36Å; W102-I121 HydrophobicContact CZ3-CD1 4.24Å; P113-I121 HydrophobicContact CG-CD1 4.05Å |
| 122 | V | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.1 | 176 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | G7 V8 L95 T96 L120 L124 V283 L302 | G7-V122 WeakPolarHBondContact O-CA 3.36Å; V8-V122 HydrophobicContact CG1-CG2 4.4Å; V8-V122 HydrophobicContact CG2-CG1 4.33Å; V8-V122 HydrophobicContact CG2-CG2 4.31Å; L95-V122 WeakPolarHBondContact CA-O 3.26Å; T96-V122 HydrophobicContact CG2-CB 3.93Å; T96-V122 PolarHBondContact N-O 3Å; T96-V122 PolarHBondContact O-N 2.76Å; L120-V122 HydrophobicContact CD2-CG2 3.94Å; L120-V122 HydrophobicContact CG-CG2 4.06Å; V122-L124 HydrophobicContact CG1-CD1 4.46Å; V122-L124 HydrophobicContact CG1-CD2 3.79Å; V122-L124 HydrophobicContact CG1-CG 4.02Å; V122-V283 HydrophobicContact CB-CG1 4.32Å; V122-V283 HydrophobicContact CG2-CB 4.09Å; V122-V283 HydrophobicContact CG2-CG1 3.88Å; V122-L302 HydrophobicContact CG1-CD1 4.25Å |
| 123 | C | 97 | Very high | 97.3 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.4 | 176 | -54.1 | 0 | 0 | 0 | 0 | 108.4 | M6 G7 L46 | M6-C123 CarbonylContact C-O 2.98Å; M6-C123 WeakPolarHBondContact CA-O 3.42Å; G7-C123 PolarHBondContact N-O 3.35Å; G7-C123 PolarHBondContact O-N 3.17Å; L46-C123 HydrophobicContact CD1-CB 4.17Å |
| 124 | L | 97 | Very high | 97.4 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136.4 | -178.7 | -54.4 | 175.2 | 0 | 0 | 0 | 109.2 | L5 M6 W93 W94 V122 F186 T188 T196 V300 L302 | L5-L124 CarbonylContact O-C 3.45Å; L5-L124 VanDerWaalsContact O-CA 3.28Å; L5-L124 WeakPolarHBondContact O-CA 3.5Å; M6-L124 HydrophobicContact CG-CD2 3.8Å; W93-L124 CarbonylContact C-O 3.5Å; W93-L124 VanDerWaalsContact CA-O 3.25Å; W93-L124 WeakPolarHBondContact CA-O 3.36Å; W94-L124 HydrophobicContact CE3-CD1 3.94Å; W94-L124 HydrophobicContact CZ3-CD1 4.19Å; W94-L124 PolarHBondContact N-O 3.35Å; W94-L124 PolarHBondContact O-N 3.41Å; V122-L124 HydrophobicContact CG1-CD1 4.46Å; V122-L124 HydrophobicContact CG1-CD2 3.79Å; V122-L124 HydrophobicContact CG1-CG 4.02Å; L124-F186 HydrophobicContact CD1-CZ 4.23Å; L124-T188 HydrophobicContact CB-CG2 4.16Å; L124-T188 HydrophobicContact CD2-CG2 4.11Å; L124-T196 HydrophobicContact CD1-CG2 4.04Å; L124-V300 HydrophobicContact CD1-CG1 3.93Å; L124-L302 HydrophobicContact CD1-CD2 4.43Å; L124-L302 HydrophobicContact CD2-CD1 4.19Å; L124-L302 HydrophobicContact CD2-CD2 3.62Å; L124-L302 HydrophobicContact CD2-CG 4.48Å |
| 125 | S | 96.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 138.3 | 159 | 49.1 | 0 | 0 | 0 | 0 | 109.3 | L5 G92 F186 T188 A189 | L5-S125 PolarHBondContact O-N 3.13Å; G92-S125 CarbonylContact O-C 3.58Å; G92-S125 WeakPolarHBondContact O-CA 3.29Å; S125-F186 WeakPolarHBondContact O-CE2 3.18Å; S125-T188 WeakPolarHBondContact OG-CA 3.22Å; S125-T188 VanDerWaalsContact OG-CB 3.25Å; S125-T188 WeakPolarHBondContact OG-CB 3.28Å; S125-A189 PolarHBondContact OG-N 2.88Å |
| 126 | L | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 114.3 | 175.2 | -176.9 | 63.1 | 0 | 0 | 0 | 109 | L85 G92 W94 F128 M131 W134 F186 | L85-L126 HydrophobicContact CD1-CD2 3.65Å; G92-L126 PolarHBondContact N-O 3.27Å; G92-L126 PolarHBondContact O-N 2.87Å; W94-L126 HydrophobicContact CB-CB 4.31Å; W94-L126 HydrophobicContact CB-CD2 4.33Å; L126-F128 PolarHBondContact O-N 2.86Å; L126-M131 HydrophobicContact CD2-CG 3.84Å; L126-M131 HydrophobicContact CG-CG 4.11Å; L126-W134 HydrophobicContact CD1-CB 4.48Å; L126-W134 HydrophobicContact CD2-CB 3.96Å; L126-W134 HydrophobicContact CD2-CD2 4.17Å; L126-W134 HydrophobicContact CD2-CG 3.75Å; L126-F186 HydrophobicContact CD1-CD1 4.25Å; L126-F186 HydrophobicContact CD1-CD2 3.92Å; L126-F186 HydrophobicContact CD1-CE1 4.1Å; L126-F186 HydrophobicContact CD1-CE2 3.76Å; L126-F186 HydrophobicContact CD1-CG 4.16Å; L126-F186 HydrophobicContact CD1-CZ 3.85Å |
| 127 | P | 96.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 23.5 Ų | 23.5 | 19% | 0.188 | 14% | 0.14 | C | C | . | . | trans | -56.7 | 138.6 | 175.3 | -25.8 | 35 | 0 | 0 | 0 | 111.3 | D91 G129 S130 M131 T187 | D91-P127 VanDerWaalsContact OD1-CA 3.28Å; D91-P127 WeakPolarHBondContact OD1-CA 3.41Å; P127-G129 PolarHBondContact O-N 3.24Å; P127-S130 WeakPolarHBondContact O-CA 3.12Å; P127-S130 WeakPolarHBondContact O-CB 2.99Å; P127-S130 PolarHBondContact O-N 3.17Å; P127-M131 PolarHBondContact O-N 2.73Å; P127-T187 WeakPolarHBondContact CG-O 3.49Å | ||
| 128 | F | 96.1 | Very high | 97.5 | Very high | 59 Ų | 59 | 19.6 Ų | 19.6 | 26% | 0.259 | 12% | 0.118 | S | C | . | . | G | 310 helix | trans | -56.1 | -41.5 | -178 | -176.3 | -101.3 | 0 | 0 | 0 | 111.8 | Y87 D91 L126 S130 M131 T157 I162 | Y87-F128 HydrophobicContact CD2-CD2 4.13Å; Y87-F128 HydrophobicContact CD2-CE2 4.03Å; Y87-F128 HydrophobicContact CE2-CD2 4.33Å; Y87-F128 AromaticContact CE2-CE2 3.8Å; Y87-F128 HydrophobicContact CE2-CE2 3.8Å; D91-F128 PolarHBondContact OD1-N 3.12Å; L126-F128 PolarHBondContact O-N 2.86Å; F128-S130 PolarHBondContact O-N 3.11Å; F128-S130 VanDerWaalsContact O-N 3.13Å; F128-M131 HydrophobicContact CD2-CE 4.17Å; F128-M131 HydrophobicContact CD2-SD 3.63Å; F128-M131 HydrophobicContact CE2-SD 4.18Å; F128-M131 HydrophobicContact CG-SD 4.43Å; F128-M131 WeakPolarHBondContact O-CB 3.44Å; F128-M131 PolarHBondContact O-N 2.7Å; F128-M131 VanDerWaalsContact O-N 3.1Å; F128-T157 HydrophobicContact CE1-CG2 4.37Å; F128-T157 HydrophobicContact CE2-CG2 4.1Å; F128-T157 HydrophobicContact CZ-CG2 3.65Å; F128-I162 HydrophobicContact CE2-CD1 4.08Å; F128-I162 HydrophobicContact CZ-CD1 3.87Å |
| 129 | G | 96.3 | Very high | 97.4 | Very high | 68 Ų | 68 | 22.1 Ų | 22.1 | 70% | 0.701 | 13% | 0.129 | S | C | * | . | G | 310 helix | trans | -61.7 | -19.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P127 | P127-G129 PolarHBondContact O-N 3.24Š|
| 130 | S | 97.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 16% | 0.161 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -91.3 | -12.1 | 178 | -60 | 0 | 0 | 0 | 0 | 113.4 | P127 F128 R132 S133 W134 M184 | P127-S130 WeakPolarHBondContact O-CA 3.12Å; P127-S130 WeakPolarHBondContact O-CB 2.99Å; P127-S130 PolarHBondContact O-N 3.17Å; F128-S130 PolarHBondContact O-N 3.11Å; F128-S130 VanDerWaalsContact O-N 3.13Å; S130-R132 PolarHBondContact O-N 3.26Å; S130-S133 PolarHBondContact O-N 3.42Å; S130-W134 PolarHBondContact O-N 2.79Å; S130-M184 WeakPolarHBondContact O-CE 3.39Å |
| 131 | M | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -35.1 | -173 | -68.2 | 179.3 | -178.4 | 0 | 0 | 113.7 | Y87 L126 P127 F128 W134 A135 L165 | Y87-M131 VanDerWaalsContact CB-CE 3.45Å; Y87-M131 HydrophobicContact CD1-CE 4.09Å; Y87-M131 HydrophobicContact CD1-SD 3.87Å; Y87-M131 HydrophobicContact CD2-CE 4.02Å; Y87-M131 HydrophobicContact CD2-SD 3.78Å; Y87-M131 HydrophobicContact CE1-SD 4.14Å; Y87-M131 HydrophobicContact CE2-SD 4.08Å; Y87-M131 HydrophobicContact CG-CE 3.6Å; Y87-M131 HydrophobicContact CG-SD 3.7Å; L126-M131 HydrophobicContact CD2-CG 3.84Å; L126-M131 HydrophobicContact CG-CG 4.11Å; P127-M131 PolarHBondContact O-N 2.73Å; F128-M131 HydrophobicContact CD2-CE 4.17Å; F128-M131 HydrophobicContact CD2-SD 3.63Å; F128-M131 HydrophobicContact CE2-SD 4.18Å; F128-M131 HydrophobicContact CG-SD 4.43Å; F128-M131 WeakPolarHBondContact O-CB 3.44Å; F128-M131 PolarHBondContact O-N 2.7Å; F128-M131 VanDerWaalsContact O-N 3.1Å; M131-W134 WeakPolarHBondContact O-CB 3.1Å; M131-W134 PolarHBondContact O-N 3.35Å; M131-A135 WeakPolarHBondContact O-CB 3.37Å; M131-A135 PolarHBondContact O-N 3.34Å; M131-L165 HydrophobicContact CB-CD1 4.46Å |
| 132 | R | 98.3 | Very high | 97.1 | Very high | 111 Ų | 111 | 24.6 Ų | 24.6 | 42% | 0.419 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.3 | -64.5 | -179.3 | -175.3 | -94.3 | 1.7 | 111.8 | S130 W134 N136 I162 E164 | S130-R132 PolarHBondContact O-N 3.26Å; R132-W134 VanDerWaalsContact C-N 3.34Å; R132-N136 WeakPolarHBondContact O-CB 3.4Å; R132-N136 PolarHBondContact O-N 3.25Å; R132-N136 PolarHBondContact O-ND2 2.73Å; R132-I162 HydrophobicContact CG-CG2 3.88Å; R132-E164 HydrophobicContact CB-CB 4.39Å; R132-E164 HydrophobicContact CB-CG 4.16Å; R132-E164 WeakPolarHBondContact CG-OE2 3.41Å; R132-E164 IonicContact CZ-OE2 3.8Å; R132-E164 IonicContact NH1-OE1 3.96Å; R132-E164 IonicContact NH1-OE2 2.82Å; R132-E164 PolarHBondContact NH1-OE2 2.84Å |
| 133 | S | 98.3 | Very high | 97 | Very high | 57 Ų | 57 | 25.1 Ų | 25.1 | 40% | 0.399 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.1 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | S130 A135 N136 V137 | S130-S133 PolarHBondContact O-N 3.42Å; S133-A135 PolarHBondContact O-N 3.32Å; S133-N136 WeakPolarHBondContact O-CB 3.32Å; S133-N136 PolarHBondContact O-N 3.33Å; S133-V137 WeakPolarHBondContact O-CG2 3.42Å; S133-V137 PolarHBondContact O-N 3Å |
| 134 | W | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | 176.6 | 174.1 | 89.7 | 0 | 0 | 0 | 111.6 | F64 L85 W94 L126 S130 M131 R132 N136 V137 L138 L165 L168 M184 F198 | F64-W134 AromaticContact CE1-CH2 3.97Å; F64-W134 HydrophobicContact CE1-CH2 3.97Å; F64-W134 AromaticContact CE1-CZ2 3.85Å; F64-W134 HydrophobicContact CE1-CZ2 3.85Å; F64-W134 HydrophobicContact CZ-CZ2 4.2Å; L85-W134 HydrophobicContact CB-CH2 3.67Å; L85-W134 HydrophobicContact CB-CZ2 4.1Å; L85-W134 HydrophobicContact CB-CZ3 4.13Å; L85-W134 HydrophobicContact CD2-CE3 3.89Å; L85-W134 HydrophobicContact CD2-CH2 3.97Å; L85-W134 HydrophobicContact CD2-CZ3 3.5Å; L85-W134 HydrophobicContact CG-CH2 4.35Å; L85-W134 HydrophobicContact CG-CZ3 4.34Å; W94-W134 AromaticContact CD1-CZ2 3.9Å; W94-W134 AromaticContact CD1-NE1 3.9Å; W94-W134 AromaticContact CD2-CD1 3.91Å; W94-W134 AromaticContact CD2-NE1 3.19Å; W94-W134 AromaticContact CE2-NE1 3.23Å; W94-W134 AromaticContact CE3-CD1 3.71Å; W94-W134 AromaticContact CE3-NE1 3.48Å; W94-W134 HydrophobicContact CG-CZ2 4.36Å; W94-W134 AromaticContact CG-NE1 3.65Å; W94-W134 AromaticContact CH2-NE1 3.74Å; W94-W134 AromaticContact CZ2-NE1 3.53Å; W94-W134 AromaticContact CZ3-CD1 3.82Å; W94-W134 AromaticContact CZ3-NE1 3.75Å; W94-W134 AromaticContact NE1-CZ2 3.91Å; W94-W134 AromaticContact NE1-NE1 3.72Å; L126-W134 HydrophobicContact CD1-CB 4.48Å; L126-W134 HydrophobicContact CD2-CB 3.96Å; L126-W134 HydrophobicContact CD2-CD2 4.17Å; L126-W134 HydrophobicContact CD2-CG 3.75Å; S130-W134 PolarHBondContact O-N 2.79Å; M131-W134 WeakPolarHBondContact O-CB 3.1Å; M131-W134 PolarHBondContact O-N 3.35Å; R132-W134 VanDerWaalsContact C-N 3.34Å; W134-N136 VanDerWaalsContact C-N 3.3Å; W134-N136 PolarHBondContact O-N 2.91Å; W134-V137 PolarHBondContact O-N 3.09Å; W134-V137 VanDerWaalsContact O-N 3.13Å; W134-L138 HydrophobicContact CH2-CD2 3.45Å; W134-L138 VanDerWaalsContact CH2-CD2 3.45Å; W134-L138 HydrophobicContact CZ2-CD2 3.74Å; W134-L138 HydrophobicContact CZ3-CD2 4Å; W134-L138 WeakPolarHBondContact O-CB 3.44Å; W134-L138 PolarHBondContact O-N 2.8Å; W134-L165 HydrophobicContact CE3-CD2 4.09Å; W134-L165 HydrophobicContact CZ3-CD2 3.97Å; W134-L168 HydrophobicContact CZ3-CD1 3.85Å; W134-M184 WeakPolarHBondContact CA-SD 2.98Å; W134-M184 HydrophobicContact CB-CE 4.34Å; W134-M184 HydrophobicContact CB-SD 3.94Å; W134-M184 PolarHBondContact N-SD 2.97Å; W134-F198 AromaticContact CD1-CD1 3.87Å; W134-F198 AromaticContact CD1-CE1 3.89Å |
| 135 | A | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M131 S133 V137 L138 K139 E164 L165 L168 | M131-A135 WeakPolarHBondContact O-CB 3.37Å; M131-A135 PolarHBondContact O-N 3.34Å; S133-A135 PolarHBondContact O-N 3.32Å; A135-V137 VanDerWaalsContact C-N 3.33Å; A135-V137 PolarHBondContact O-N 3.47Å; A135-L138 PolarHBondContact O-N 2.84Å; A135-K139 WeakPolarHBondContact O-CB 3.42Å; A135-K139 PolarHBondContact O-N 2.79Å; A135-E164 HydrophobicContact CB-CB 3.94Å; A135-E164 WeakPolarHBondContact CB-O 3.38Å; A135-L165 HydrophobicContact CB-CD2 3.76Å; A135-L165 HydrophobicContact CB-CG 4.28Å; A135-L168 HydrophobicContact CB-CD1 3.76Å; A135-L168 HydrophobicContact CB-CG 4.36Å |
| 136 | N | 97 | Very high | 97.1 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 25% | 0.251 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.8 | -34.1 | 174.8 | -89.3 | -39.3 | 0 | 0 | 0 | 113.9 | R132 S133 W134 F140 E164 | R132-N136 WeakPolarHBondContact O-CB 3.4Å; R132-N136 PolarHBondContact O-N 3.25Å; R132-N136 PolarHBondContact O-ND2 2.73Å; S133-N136 WeakPolarHBondContact O-CB 3.32Å; S133-N136 PolarHBondContact O-N 3.33Å; W134-N136 VanDerWaalsContact C-N 3.3Å; W134-N136 PolarHBondContact O-N 2.91Å; N136-F140 WeakPolarHBondContact O-CD2 3.05Å; N136-E164 WeakPolarHBondContact ND2-CG 3.46Å |
| 137 | V | 98 | Very high | 97.2 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.2 | -46.3 | 173.8 | 179 | 0 | 0 | 0 | 0 | 110.2 | S133 W134 A135 K139 F140 R182 M184 F198 | S133-V137 WeakPolarHBondContact O-CG2 3.42Å; S133-V137 PolarHBondContact O-N 3Å; W134-V137 PolarHBondContact O-N 3.09Å; W134-V137 VanDerWaalsContact O-N 3.13Å; A135-V137 VanDerWaalsContact C-N 3.33Å; A135-V137 PolarHBondContact O-N 3.47Å; V137-K139 PolarHBondContact O-N 2.89Å; V137-F140 VanDerWaalsContact O-CB 3.29Å; V137-F140 WeakPolarHBondContact O-CB 3.09Å; V137-F140 PolarHBondContact O-N 3.44Å; V137-R182 HydrophobicContact CG2-CG 4.12Å; V137-M184 HydrophobicContact CB-SD 4.5Å; V137-M184 HydrophobicContact CG2-CB 3.85Å; V137-M184 HydrophobicContact CG2-CG 3.68Å; V137-M184 HydrophobicContact CG2-SD 3.91Å; V137-F198 HydrophobicContact CB-CD1 3.64Å; V137-F198 HydrophobicContact CB-CE1 3.54Å; V137-F198 HydrophobicContact CB-CG 4.4Å; V137-F198 HydrophobicContact CB-CZ 4.22Å; V137-F198 HydrophobicContact CG1-CD1 3.49Å; V137-F198 VanDerWaalsContact CG1-CD1 3.49Å; V137-F198 HydrophobicContact CG1-CD2 4.01Å; V137-F198 HydrophobicContact CG1-CE1 3.42Å; V137-F198 VanDerWaalsContact CG1-CE1 3.42Å; V137-F198 HydrophobicContact CG1-CE2 3.94Å; V137-F198 HydrophobicContact CG1-CG 3.79Å; V137-F198 HydrophobicContact CG1-CZ 3.66Å; V137-F198 HydrophobicContact CG2-CD1 4.39Å |
| 138 | L | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -35.1 | -180 | -172.2 | 71 | 0 | 0 | 0 | 111.8 | F64 W134 A135 F140 E141 D142 P143 L168 F198 | F64-L138 HydrophobicContact CD1-CD2 4.11Å; F64-L138 HydrophobicContact CE1-CD2 3.87Å; F64-L138 HydrophobicContact CE2-CD1 3.94Å; F64-L138 HydrophobicContact CZ-CD1 3.95Å; F64-L138 HydrophobicContact CZ-CD2 4.09Å; W134-L138 HydrophobicContact CH2-CD2 3.45Å; W134-L138 VanDerWaalsContact CH2-CD2 3.45Å; W134-L138 HydrophobicContact CZ2-CD2 3.74Å; W134-L138 HydrophobicContact CZ3-CD2 4Å; W134-L138 WeakPolarHBondContact O-CB 3.44Å; W134-L138 PolarHBondContact O-N 2.8Å; A135-L138 PolarHBondContact O-N 2.84Å; L138-F140 PolarHBondContact O-N 3.35Å; L138-F140 VanDerWaalsContact O-N 3.08Å; L138-E141 WeakPolarHBondContact O-CA 3.38Å; L138-E141 WeakPolarHBondContact O-CB 3.36Å; L138-E141 PolarHBondContact O-N 2.68Å; L138-D142 PolarHBondContact O-N 3.35Å; L138-P143 HydrophobicContact CD1-CB 4.49Å; L138-P143 HydrophobicContact CD1-CG 4.25Å; L138-P143 HydrophobicContact CD2-CG 3.9Å; L138-P143 HydrophobicContact CG-CG 3.77Å; L138-P143 WeakPolarHBondContact O-CD 3.21Å; L138-L168 HydrophobicContact CD2-CD1 4Å; L138-L168 HydrophobicContact CD2-CD2 4.41Å; L138-F198 HydrophobicContact CB-CE1 4.21Å; L138-F198 HydrophobicContact CB-CZ 4.25Å; L138-F198 HydrophobicContact CD1-CZ 4.12Å |
| 139 | K | 96 | Very high | 97.3 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.4 | -30.2 | 173 | -178.7 | 173.3 | -175.7 | 165.2 | 0 | 113.4 | A135 V137 E141 D142 D167 L168 S173 | A135-K139 WeakPolarHBondContact O-CB 3.42Å; A135-K139 PolarHBondContact O-N 2.79Å; V137-K139 PolarHBondContact O-N 2.89Å; K139-E141 PolarHBondContact O-N 2.83Å; K139-D142 PolarHBondContact O-N 3.28Å; K139-D142 VanDerWaalsContact O-N 3.1Å; K139-D167 VanDerWaalsContact CD-OD2 3.28Å; K139-D167 WeakPolarHBondContact CD-OD2 3.1Å; K139-D167 VanDerWaalsContact CE-OD2 3.27Å; K139-D167 WeakPolarHBondContact CE-OD2 3.44Å; K139-D167 IonicContact NZ-OD1 3.54Å; K139-D167 IonicContact NZ-OD2 3.75Å; K139-D167 PolarHBondContact NZ-OD2 3.1Å; K139-L168 HydrophobicContact CB-CD2 4.3Å; K139-S173 WeakPolarHBondContact CE-O 3.3Å |
| 140 | F | 96.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.5 | -24.7 | 177.4 | -79.3 | -120.5 | 0 | 0 | 0 | 112 | N136 V137 L138 D142 V175 P179 R182 K201 A202 | N136-F140 WeakPolarHBondContact O-CD2 3.05Å; V137-F140 VanDerWaalsContact O-CB 3.29Å; V137-F140 WeakPolarHBondContact O-CB 3.09Å; V137-F140 PolarHBondContact O-N 3.44Å; L138-F140 PolarHBondContact O-N 3.35Å; L138-F140 VanDerWaalsContact O-N 3.08Å; F140-D142 VanDerWaalsContact C-N 3.33Å; F140-V175 HydrophobicContact CD1-CG1 4.48Å; F140-V175 HydrophobicContact CD1-CG2 4.24Å; F140-V175 HydrophobicContact CD2-CG2 3.88Å; F140-V175 HydrophobicContact CE1-CG1 4.1Å; F140-V175 HydrophobicContact CE1-CG2 4.34Å; F140-V175 HydrophobicContact CE2-CG2 3.94Å; F140-V175 HydrophobicContact CG-CG2 4.01Å; F140-V175 HydrophobicContact CZ-CG1 4.23Å; F140-V175 HydrophobicContact CZ-CG2 4.17Å; F140-P179 WeakPolarHBondContact CE1-O 3.42Å; F140-R182 HydrophobicContact CD1-CB 3.74Å; F140-R182 HydrophobicContact CD2-CB 3.77Å; F140-R182 HydrophobicContact CE1-CB 3.61Å; F140-R182 HydrophobicContact CE2-CB 3.7Å; F140-R182 HydrophobicContact CE2-CG 4.26Å; F140-R182 VanDerWaalsContact CE2-CZ 3.47Å; F140-R182 VanDerWaalsContact CE2-NE 3.29Å; F140-R182 HydrophobicContact CG-CB 3.83Å; F140-R182 HydrophobicContact CZ-CB 3.63Å; F140-R182 HydrophobicContact CZ-CG 4.37Å; F140-K201 CarbonylContact O-C 3.49Å; F140-K201 VanDerWaalsContact O-O 3.06Å; F140-A202 WeakPolarHBondContact O-CA 3.48Å; F140-A202 PolarHBondContact O-N 2.97Å; F140-A202 VanDerWaalsContact O-N 3.11Å |
| 141 | E | 95.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -81.3 | -15 | 172 | -56.6 | -169.4 | -117.7 | 0 | 0 | 112.6 | S79 A81 L138 K139 F198 D285 P296 G298 | S79-E141 WeakPolarHBondContact CB-O 3.04Å; S79-E141 PolarHBondContact OG-O 3.38Å; A81-E141 WeakPolarHBondContact CB-OE2 3.31Å; L138-E141 WeakPolarHBondContact O-CA 3.38Å; L138-E141 WeakPolarHBondContact O-CB 3.36Å; L138-E141 PolarHBondContact O-N 2.68Å; K139-E141 PolarHBondContact O-N 2.83Å; E141-F198 WeakPolarHBondContact OE1-CE2 3.23Å; E141-F198 WeakPolarHBondContact OE1-CZ 3.43Å; E141-D285 VanDerWaalsContact OE2-OD2 3.06Å; E141-P296 WeakPolarHBondContact O-CB 3.22Å; E141-P296 WeakPolarHBondContact O-CG 3.09Å; E141-G298 VanDerWaalsContact CD-CA 3.43Å; E141-G298 VanDerWaalsContact OE2-CA 3.3Å; E141-G298 WeakPolarHBondContact OE2-CA 3.48Å; E141-G298 PolarHBondContact OE2-N 3.3Å |
| 142 | D | 95 | Very high | 97.2 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | trans | 47.3 | 58.1 | -176.6 | -169.6 | 34.6 | 0 | 0 | 0 | 112.2 | S79 L138 K139 F140 S172 | S79-D142 WeakPolarHBondContact CB-O 3.22Å; L138-D142 PolarHBondContact O-N 3.35Å; K139-D142 PolarHBondContact O-N 3.28Å; K139-D142 VanDerWaalsContact O-N 3.1Å; F140-D142 VanDerWaalsContact C-N 3.33Å; D142-S172 WeakPolarHBondContact OD1-CB 3.34Å; D142-S172 PolarHBondContact OD1-OG 3.25Å; D142-S172 PolarHBondContact OD2-OG 2.89Å | ||
| 143 | P | 96.6 | Very high | 97 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | trans | -69.3 | 156.7 | -173.5 | 36 | -43.3 | 0 | 0 | 0 | 112.2 | F64 A81 L138 I145 | F64-P143 HydrophobicContact CB-CB 4Å; F64-P143 HydrophobicContact CD2-CB 3.96Å; F64-P143 HydrophobicContact CG-CB 4.16Å; A81-P143 HydrophobicContact CB-CB 4.4Å; L138-P143 HydrophobicContact CD1-CB 4.49Å; L138-P143 HydrophobicContact CD1-CG 4.25Å; L138-P143 HydrophobicContact CD2-CG 3.9Å; L138-P143 HydrophobicContact CG-CG 3.77Å; L138-P143 WeakPolarHBondContact O-CD 3.21Å; P143-I145 HydrophobicContact CB-CD1 4.43Å; P143-I145 HydrophobicContact CG-CD1 3.85Å; P143-I145 PolarHBondContact O-N 3.18Å | ||
| 144 | V | 96.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 34 Ų | 34 | 17% | 0.17 | 18% | 0.176 | C | C | . | . | trans | -84.7 | 100.8 | 171.3 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | F64 S65 L75 Y78 Y146 | F64-V144 CarbonylContact C-O 3.59Å; F64-V144 WeakPolarHBondContact CA-O 3.06Å; F64-V144 WeakPolarHBondContact CB-O 3.48Å; S65-V144 PolarHBondContact N-O 3.47Å; L75-V144 HydrophobicContact CD1-CG1 4.03Å; L75-V144 HydrophobicContact CD1-CG2 4.03Å; Y78-V144 HydrophobicContact CD1-CG2 3.76Å; Y78-V144 HydrophobicContact CG-CG2 3.86Å; V144-Y146 PolarHBondContact O-N 2.95Å | ||
| 145 | I | 97.5 | Very high | 96.5 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 21% | 0.205 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 118.3 | 170.5 | -49.7 | -46.9 | 0 | 0 | 0 | 108.5 | I62 F64 P143 Y148 L168 | I62-I145 HydrophobicContact CG2-CD1 3.83Å; I62-I145 HydrophobicContact CG2-CG1 4.49Å; I62-I145 HydrophobicContact CG2-CG2 4.16Å; F64-I145 HydrophobicContact CB-CD1 3.6Å; F64-I145 HydrophobicContact CG-CD1 4.39Å; P143-I145 HydrophobicContact CB-CD1 4.43Å; P143-I145 HydrophobicContact CG-CD1 3.85Å; P143-I145 PolarHBondContact O-N 3.18Å; I145-Y148 HydrophobicContact CG2-CD1 4.41Å; I145-L168 HydrophobicContact CD1-CB 4.45Å; I145-L168 HydrophobicContact CG1-CB 4.46Å; I145-L168 WeakPolarHBondContact CG1-O 3.39Å |
| 146 | Y | 97.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -16.2 | 179.2 | 73.6 | -88.4 | 0 | 0 | 0 | 112.9 | A63 P68 P103 M105 V144 | A63-Y146 VanDerWaalsContact C-CE1 3.42Å; A63-Y146 HydrophobicContact CB-CD1 4.28Å; A63-Y146 HydrophobicContact CB-CE1 3.5Å; A63-Y146 HydrophobicContact CB-CE2 4.2Å; A63-Y146 VanDerWaalsContact CB-CZ 3.46Å; A63-Y146 WeakPolarHBondContact CB-OH 3.35Å; A63-Y146 VanDerWaalsContact O-CD1 3.29Å; A63-Y146 WeakPolarHBondContact O-CD1 3.49Å; A63-Y146 PolarHBondContact O-N 2.79Å; P68-Y146 HydrophobicContact CB-CD1 3.85Å; P68-Y146 HydrophobicContact CB-CD2 3.86Å; P68-Y146 HydrophobicContact CB-CE1 4.41Å; P68-Y146 HydrophobicContact CB-CE2 4.41Å; P68-Y146 HydrophobicContact CB-CG 3.54Å; P68-Y146 HydrophobicContact CG-CG 4.45Å; P103-Y146 WeakPolarHBondContact CD-OH 3.29Å; P103-Y146 PolarHBondContact O-OH 2.75Å; M105-Y146 HydrophobicContact CB-CE2 4.46Å; M105-Y146 HydrophobicContact CG-CE2 4.11Å; V144-Y146 PolarHBondContact O-N 2.95Å |
| 147 | Y | 98.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 139.8 | 176.2 | -174 | -90.6 | 0 | 0 | 0 | 110.2 | F50 V61 A63 M105 T106 Q149 | F50-Y147 AromaticContact CE2-CE1 3.98Å; F50-Y147 HydrophobicContact CE2-CE1 3.98Å; F50-Y147 AromaticContact CZ-CE1 3.58Å; F50-Y147 HydrophobicContact CZ-CE1 3.58Å; F50-Y147 AromaticContact CZ-CZ 3.79Å; F50-Y147 WeakPolarHBondContact CZ-OH 3.45Å; V61-Y147 HydrophobicContact CG1-CD1 4.39Å; A63-Y147 PolarHBondContact N-O 3.18Å; A63-Y147 PolarHBondContact O-N 3.38Å; M105-Y147 HydrophobicContact CB-CD1 3.43Å; M105-Y147 VanDerWaalsContact CB-CD1 3.43Å; M105-Y147 HydrophobicContact CB-CD2 3.98Å; M105-Y147 HydrophobicContact CB-CE1 3.9Å; M105-Y147 HydrophobicContact CB-CE2 4.4Å; M105-Y147 HydrophobicContact CB-CG 3.48Å; M105-Y147 VanDerWaalsContact CB-CG 3.48Å; M105-Y147 HydrophobicContact CG-CD1 4.04Å; M105-Y147 HydrophobicContact CG-CG 4.25Å; T106-Y147 HydrophobicContact CG2-CD2 3.91Å; T106-Y147 HydrophobicContact CG2-CE2 4.18Å; Y147-Q149 HydrophobicContact CE1-CB 4.02Å |
| 148 | Y | 97.7 | Very high | 96.3 | Very high | 113 Ų | 113 | 40.5 Ų | 40.5 | 44% | 0.443 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155 | 164.4 | 69 | -86.7 | 0 | 0 | 0 | 110.4 | V61 I145 T169 | V61-Y148 CarbonylContact O-C 3.5Å; V61-Y148 WeakPolarHBondContact O-CA 3.4Å; V61-Y148 WeakPolarHBondContact O-CB 3.49Å; I145-Y148 HydrophobicContact CG2-CD1 4.41Å; Y148-T169 HydrophobicContact CD1-CG2 4.04Å; Y148-T169 HydrophobicContact CD2-CG2 3.87Å; Y148-T169 HydrophobicContact CE2-CG2 4.39Å; Y148-T169 HydrophobicContact CG-CG2 3.68Å |
| 149 | Q | 96.6 | Very high | 96.3 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 137.7 | 173 | 179.8 | -171.6 | -77.4 | 0 | 0 | 108.3 | F50 K56 Y59 N60 V61 Y147 I159 | F50-Q149 HydrophobicContact CE2-CB 4.26Å; K56-Q149 PolarHBondContact O-NE2 2.81Å; Y59-Q149 PolarHBondContact O-NE2 2.83Å; N60-Q149 CarbonylContact C-O 3.48Å; N60-Q149 VanDerWaalsContact CA-O 3.25Å; N60-Q149 WeakPolarHBondContact CA-O 3.13Å; V61-Q149 PolarHBondContact N-O 3.46Å; V61-Q149 PolarHBondContact O-N 3.06Å; Y147-Q149 HydrophobicContact CE1-CB 4.02Å; Q149-I159 WeakPolarHBondContact O-CD1 3.38Å |
| 150 | S | 97.5 | Very high | 96.4 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | trans | -105.3 | 145.8 | 174.6 | -47.8 | 0 | 0 | 0 | 0 | 111.3 | N60 E160 | N60-S150 WeakPolarHBondContact OD1-CA 3.33Å; S150-E160 WeakPolarHBondContact CB-OE1 3.35Å; S150-E160 WeakPolarHBondContact CB-OE2 3.25Å; S150-E160 PolarHBondContact OG-OE1 2.88Å; S150-E160 PolarHBondContact OG-OE2 3.02Å; S150-E160 VanDerWaalsContact OG-OE2 3.08Å | ||
| 151 | A | 96.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | trans | -65.7 | 136.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P57 N58 Y59 N60 | P57-A151 CarbonylContact O-C 3.5Å; P57-A151 VanDerWaalsContact O-CA 3.26Å; P57-A151 WeakPolarHBondContact O-CA 3.49Å; N58-A151 WeakPolarHBondContact O-CB 3.34Å; Y59-A151 PolarHBondContact O-N 3.37Å; N60-A151 WeakPolarHBondContact ND2-CB 3.37Å; N60-A151 PolarHBondContact OD1-N 2.95Å | ||
| 152 | T | 95.7 | Very high | 96.5 | Very high | 109 Ų | 109 | 46.2 Ų | 46.2 | 67% | 0.669 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -98.8 | -16.8 | 177.9 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | P57 | P57-T152 PolarHBondContact O-N 2.86Å; P57-T152 PolarHBondContact O-OG1 2.9Å |
| 153 | T | 95.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -87 | -21.9 | -178.8 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | P57 N58 | P57-T153 HydrophobicContact CB-CG2 4.06Å; N58-T153 WeakPolarHBondContact CA-OG1 3.43Å; N58-T153 WeakPolarHBondContact OD1-CG2 3.29Å; N58-T153 PolarHBondContact OD1-OG1 3.46Å; N58-T153 VanDerWaalsContact OD1-OG1 3.05Å |
| 154 | S | 94.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | trans | -129.5 | 73.1 | -177 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | A156 T157 S158 | S154-A156 VanDerWaalsContact C-N 3.29Å; S154-A156 PolarHBondContact O-N 2.73Å; S154-T157 WeakPolarHBondContact CB-OG1 3.41Å; S154-T157 PolarHBondContact O-N 2.85Å; S154-T157 VanDerWaalsContact O-N 3.1Å; S154-T157 PolarHBondContact O-OG1 3.1Å; S154-S158 PolarHBondContact O-N 2.81Å | ||
| 155 | P | 92.7 | Very high | 96.7 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 49% | 0.494 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -55.7 | -39.8 | -174.1 | -27.3 | 35.4 | 0 | 0 | 0 | 113.6 | T157 S158 N161 | P155-T157 PolarHBondContact O-N 3.01Å; P155-T157 VanDerWaalsContact O-N 3.08Å; P155-S158 WeakPolarHBondContact O-CB 3.36Å; P155-S158 PolarHBondContact O-N 2.9Å; P155-S158 PolarHBondContact O-OG 2.88Å; P155-N161 WeakPolarHBondContact O-CB 3.2Å; P155-N161 PolarHBondContact O-ND2 2.91Å |
| 156 | A | 95.2 | Very high | 96.7 | Very high | 87 Ų | 87 | 50.3 Ų | 50.3 | 72% | 0.719 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -60.5 | -23.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | S154 | S154-A156 VanDerWaalsContact C-N 3.29Å; S154-A156 PolarHBondContact O-N 2.73Å |
| 157 | T | 96 | Very high | 96.6 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -109.6 | 3.4 | 178.3 | 65 | 0 | 0 | 0 | 0 | 112.5 | N60 Y87 T88 D89 F128 S154 P155 | N60-T157 PolarHBondContact ND2-O 2.77Å; Y87-T157 VanDerWaalsContact CE2-O 3.29Å; Y87-T157 WeakPolarHBondContact CE2-O 3.07Å; Y87-T157 PolarHBondContact OH-O 2.96Å; Y87-T157 VanDerWaalsContact OH-O 3.06Å; T88-T157 PolarHBondContact O-OG1 2.98Å; D89-T157 WeakPolarHBondContact CA-OG1 3.46Å; D89-T157 HydrophobicContact CB-CG2 4.05Å; F128-T157 HydrophobicContact CE1-CG2 4.37Å; F128-T157 HydrophobicContact CE2-CG2 4.1Å; F128-T157 HydrophobicContact CZ-CG2 3.65Å; S154-T157 WeakPolarHBondContact CB-OG1 3.41Å; S154-T157 PolarHBondContact O-N 2.85Å; S154-T157 VanDerWaalsContact O-N 3.1Å; S154-T157 PolarHBondContact O-OG1 3.1Å; P155-T157 PolarHBondContact O-N 3.01Å; P155-T157 VanDerWaalsContact O-N 3.08Å |
| 158 | S | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -65.6 | 153.3 | 179.2 | 87.9 | 0 | 0 | 0 | 0 | 111.1 | N60 S154 P155 E160 N161 I162 | N60-S158 WeakPolarHBondContact OD1-CA 3.21Å; S154-S158 PolarHBondContact O-N 2.81Å; P155-S158 WeakPolarHBondContact O-CB 3.36Å; P155-S158 PolarHBondContact O-N 2.9Å; P155-S158 PolarHBondContact O-OG 2.88Å; S158-E160 WeakPolarHBondContact CB-OE2 3.35Å; S158-E160 PolarHBondContact O-N 3.22Å; S158-E160 PolarHBondContact OG-OE2 3.34Å; S158-N161 PolarHBondContact O-N 2.98Å; S158-N161 VanDerWaalsContact O-N 3.12Å; S158-N161 PolarHBondContact OG-ND2 2.9Å; S158-I162 PolarHBondContact O-N 2.8Å |
| 159 | I | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -54.5 | -41.6 | 178.8 | -67.9 | 166.2 | 0 | 0 | 0 | 110.9 | N60 V61 I62 Y87 Q149 N161 I162 L165 N166 T169 | N60-I159 HydrophobicContact CB-CD1 4.14Å; N60-I159 HydrophobicContact CB-CG1 3.98Å; N60-I159 PolarHBondContact OD1-N 2.83Å; V61-I159 WeakPolarHBondContact O-CD1 3.36Å; I62-I159 HydrophobicContact CD1-CD1 4.12Å; I62-I159 HydrophobicContact CD1-CG1 4.33Å; I62-I159 HydrophobicContact CD1-CG2 4.25Å; I62-I159 HydrophobicContact CG1-CD1 3.58Å; I62-I159 HydrophobicContact CG1-CG1 4.31Å; Y87-I159 HydrophobicContact CE1-CG1 4.46Å; Q149-I159 WeakPolarHBondContact O-CD1 3.38Å; I159-N161 VanDerWaalsContact C-N 3.27Å; I159-N161 PolarHBondContact O-N 2.95Å; I159-I162 PolarHBondContact O-N 2.66Å; I159-I162 VanDerWaalsContact O-O 3.12Å; I159-L165 HydrophobicContact CG2-CB 4.08Å; I159-N166 WeakPolarHBondContact O-CB 3.48Å; I159-N166 PolarHBondContact O-N 2.76Å; I159-T169 HydrophobicContact CG2-CG2 3.74Å |
| 160 | E | 96.6 | Very high | 96.4 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -63.6 | -32.5 | -178.2 | -56.8 | 85.5 | -179 | 0 | 0 | 113.1 | S150 S158 N166 | S150-E160 WeakPolarHBondContact CB-OE1 3.35Å; S150-E160 WeakPolarHBondContact CB-OE2 3.25Å; S150-E160 PolarHBondContact OG-OE1 2.88Å; S150-E160 PolarHBondContact OG-OE2 3.02Å; S150-E160 VanDerWaalsContact OG-OE2 3.08Å; S158-E160 WeakPolarHBondContact CB-OE2 3.35Å; S158-E160 PolarHBondContact O-N 3.22Å; S158-E160 PolarHBondContact OG-OE2 3.34Å; E160-N166 PolarHBondContact O-ND2 2.97Å |
| 161 | N | 97 | Very high | 96.1 | Very high | 93 Ų | 93 | 56.7 Ų | 56.7 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -88.8 | -2.9 | -178.2 | -71.6 | -52.7 | 0 | 0 | 0 | 113.3 | P155 S158 I159 | P155-N161 WeakPolarHBondContact O-CB 3.2Å; P155-N161 PolarHBondContact O-ND2 2.91Å; S158-N161 PolarHBondContact O-N 2.98Å; S158-N161 VanDerWaalsContact O-N 3.12Å; S158-N161 PolarHBondContact OG-ND2 2.9Å; I159-N161 VanDerWaalsContact C-N 3.27Å; I159-N161 PolarHBondContact O-N 2.95Å |
| 162 | I | 97.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -109.1 | 94.8 | 171.5 | -60.2 | 171.9 | 0 | 0 | 0 | 107.7 | F128 R132 S158 I159 E164 L165 N166 | F128-I162 HydrophobicContact CE2-CD1 4.08Å; F128-I162 HydrophobicContact CZ-CD1 3.87Å; R132-I162 HydrophobicContact CG-CG2 3.88Å; S158-I162 PolarHBondContact O-N 2.8Å; I159-I162 PolarHBondContact O-N 2.66Å; I159-I162 VanDerWaalsContact O-O 3.12Å; I162-E164 PolarHBondContact O-N 3.16Å; I162-L165 HydrophobicContact CB-CB 4.16Å; I162-L165 HydrophobicContact CB-CD1 3.96Å; I162-L165 HydrophobicContact CB-CG 4.29Å; I162-L165 HydrophobicContact CD1-CD1 3.78Å; I162-L165 HydrophobicContact CG1-CD1 4.47Å; I162-L165 HydrophobicContact CG2-CB 4.06Å; I162-L165 HydrophobicContact CG2-CD1 3.76Å; I162-L165 HydrophobicContact CG2-CG 3.81Å; I162-L165 WeakPolarHBondContact O-CA 3.45Å; I162-L165 PolarHBondContact O-N 3.23Å; I162-N166 PolarHBondContact O-N 3.12Å |
| 163 | N | 97.3 | Very high | 95.1 | Very high | 119 Ų | 119 | 57.7 Ų | 57.7 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -44.2 | -44.5 | -174.5 | -70.2 | -7.6 | 0 | 0 | 0 | 114.2 | N166 D167 | N163-N166 PolarHBondContact O-N 2.82Å; N163-D167 VanDerWaalsContact O-CB 3.32Å; N163-D167 WeakPolarHBondContact O-CB 3.37Å; N163-D167 PolarHBondContact O-N 2.88Å |
| 164 | E | 97.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 57 Ų | 57 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -36.1 | -179.3 | -60.6 | 83.1 | 174.6 | 0 | 0 | 113.1 | R132 A135 N136 I162 | R132-E164 HydrophobicContact CB-CB 4.39Å; R132-E164 HydrophobicContact CB-CG 4.16Å; R132-E164 WeakPolarHBondContact CG-OE2 3.41Å; R132-E164 IonicContact CZ-OE2 3.8Å; R132-E164 IonicContact NH1-OE1 3.96Å; R132-E164 IonicContact NH1-OE2 2.82Å; R132-E164 PolarHBondContact NH1-OE2 2.84Å; A135-E164 HydrophobicContact CB-CB 3.94Å; A135-E164 WeakPolarHBondContact CB-O 3.38Å; N136-E164 WeakPolarHBondContact ND2-CG 3.46Å; I162-E164 PolarHBondContact O-N 3.16Å |
| 165 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76.3 | -43 | 175.3 | -69.6 | 172.9 | 0 | 0 | 0 | 110.9 | I62 L85 Y87 M131 W134 A135 I159 I162 D167 L168 | I62-L165 HydrophobicContact CD1-CB 4.2Å; I62-L165 HydrophobicContact CD1-CD2 3.88Å; L85-L165 HydrophobicContact CD2-CD2 3.67Å; Y87-L165 HydrophobicContact CE1-CD1 4.01Å; Y87-L165 VanDerWaalsContact OH-CD1 3.25Å; Y87-L165 WeakPolarHBondContact OH-CD1 3.36Å; M131-L165 HydrophobicContact CB-CD1 4.46Å; W134-L165 HydrophobicContact CE3-CD2 4.09Å; W134-L165 HydrophobicContact CZ3-CD2 3.97Å; A135-L165 HydrophobicContact CB-CD2 3.76Å; A135-L165 HydrophobicContact CB-CG 4.28Å; I159-L165 HydrophobicContact CG2-CB 4.08Å; I162-L165 HydrophobicContact CB-CB 4.16Å; I162-L165 HydrophobicContact CB-CD1 3.96Å; I162-L165 HydrophobicContact CB-CG 4.29Å; I162-L165 HydrophobicContact CD1-CD1 3.78Å; I162-L165 HydrophobicContact CG1-CD1 4.47Å; I162-L165 HydrophobicContact CG2-CB 4.06Å; I162-L165 HydrophobicContact CG2-CD1 3.76Å; I162-L165 HydrophobicContact CG2-CG 3.81Å; I162-L165 WeakPolarHBondContact O-CA 3.45Å; I162-L165 PolarHBondContact O-N 3.23Å; L165-D167 VanDerWaalsContact C-N 3.28Å; L165-D167 PolarHBondContact O-N 3.21Å; L165-L168 WeakPolarHBondContact O-CB 3.17Å; L165-L168 PolarHBondContact O-N 3.12Å; L165-L168 VanDerWaalsContact O-N 3.16Å |
| 166 | N | 97.5 | Very high | 93.8 | Very high | 39 Ų | 39 | 57 Ų | 57 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 176.3 | -171.1 | 11.7 | 0 | 0 | 0 | 111.1 | I159 E160 I162 N163 L168 T169 Q170 | I159-N166 WeakPolarHBondContact O-CB 3.48Å; I159-N166 PolarHBondContact O-N 2.76Å; E160-N166 PolarHBondContact O-ND2 2.97Å; I162-N166 PolarHBondContact O-N 3.12Å; N163-N166 PolarHBondContact O-N 2.82Å; N166-L168 PolarHBondContact O-N 3.33Å; N166-L168 VanDerWaalsContact O-N 3.14Å; N166-T169 WeakPolarHBondContact O-CA 3.48Å; N166-T169 PolarHBondContact O-N 3.29Å; N166-T169 PolarHBondContact O-OG1 2.75Å; N166-T169 PolarHBondContact OD1-OG1 2.87Å; N166-Q170 WeakPolarHBondContact O-CG 3.4Å; N166-Q170 PolarHBondContact O-N 3.03Å; N166-Q170 PolarHBondContact OD1-NE2 2.85Å |
| 167 | D | 96.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 61.5 Ų | 61.5 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.7 | -30 | 179.7 | -173.9 | 55.3 | 0 | 0 | 0 | 113.5 | K139 N163 L165 T169 | K139-D167 VanDerWaalsContact CD-OD2 3.28Å; K139-D167 WeakPolarHBondContact CD-OD2 3.1Å; K139-D167 VanDerWaalsContact CE-OD2 3.27Å; K139-D167 WeakPolarHBondContact CE-OD2 3.44Å; K139-D167 IonicContact NZ-OD1 3.54Å; K139-D167 IonicContact NZ-OD2 3.75Å; K139-D167 PolarHBondContact NZ-OD2 3.1Å; N163-D167 VanDerWaalsContact O-CB 3.32Å; N163-D167 WeakPolarHBondContact O-CB 3.37Å; N163-D167 PolarHBondContact O-N 2.88Å; L165-D167 VanDerWaalsContact C-N 3.28Å; L165-D167 PolarHBondContact O-N 3.21Å; D167-T169 VanDerWaalsContact C-N 3.32Å; D167-T169 PolarHBondContact O-N 3.12Å |
| 168 | L | 96.9 | Very high | 93.2 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 173.4 | -63 | 173.4 | 0 | 0 | 0 | 112.5 | I62 W134 A135 L138 K139 I145 L165 N166 Q170 | I62-L168 HydrophobicContact CD1-CD1 4.27Å; W134-L168 HydrophobicContact CZ3-CD1 3.85Å; A135-L168 HydrophobicContact CB-CD1 3.76Å; A135-L168 HydrophobicContact CB-CG 4.36Å; L138-L168 HydrophobicContact CD2-CD1 4Å; L138-L168 HydrophobicContact CD2-CD2 4.41Å; K139-L168 HydrophobicContact CB-CD2 4.3Å; I145-L168 HydrophobicContact CD1-CB 4.45Å; I145-L168 HydrophobicContact CG1-CB 4.46Å; I145-L168 WeakPolarHBondContact CG1-O 3.39Å; L165-L168 WeakPolarHBondContact O-CB 3.17Å; L165-L168 PolarHBondContact O-N 3.12Å; L165-L168 VanDerWaalsContact O-N 3.16Å; N166-L168 PolarHBondContact O-N 3.33Å; N166-L168 VanDerWaalsContact O-N 3.14Å; L168-Q170 VanDerWaalsContact C-N 3.33Å |
| 169 | T | 96.2 | Very high | 93 | Very high | 19 Ų | 19 | 69.2 Ų | 69.2 | 12% | 0.117 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -83.9 | -10.4 | -177.3 | 72 | 0 | 0 | 0 | 0 | 113.6 | I62 Y148 I159 N166 D167 | I62-T169 HydrophobicContact CD1-CG2 4.4Å; Y148-T169 HydrophobicContact CD1-CG2 4.04Å; Y148-T169 HydrophobicContact CD2-CG2 3.87Å; Y148-T169 HydrophobicContact CE2-CG2 4.39Å; Y148-T169 HydrophobicContact CG-CG2 3.68Å; I159-T169 HydrophobicContact CG2-CG2 3.74Å; N166-T169 WeakPolarHBondContact O-CA 3.48Å; N166-T169 PolarHBondContact O-N 3.29Å; N166-T169 PolarHBondContact O-OG1 2.75Å; N166-T169 PolarHBondContact OD1-OG1 2.87Å; D167-T169 VanDerWaalsContact C-N 3.32Å; D167-T169 PolarHBondContact O-N 3.12Å |
| 170 | Q | 94.3 | Very high | 92.9 | Very high | 111 Ų | 111 | 71.9 Ų | 71.9 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -87.2 | 178.2 | 178.2 | -59.7 | -54.8 | -37.2 | 0 | 0 | 111.4 | N166 L168 S172 | N166-Q170 WeakPolarHBondContact O-CG 3.4Å; N166-Q170 PolarHBondContact O-N 3.03Å; N166-Q170 PolarHBondContact OD1-NE2 2.85Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; Q170-S172 PolarHBondContact O-N 2.74Å |
| 171 | K | 90.3 | Very high | 93 | Very high | 191 Ų | 191 | 68.4 Ų | 68.4 | 83% | 0.83 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -54.4 | 131.4 | 172.2 | -177.4 | -178.4 | 178.2 | -179.2 | 0 | 109.8 | S173 | K171-S173 PolarHBondContact O-N 2.94Š|
| 172 | S | 86.7 | Confident | 93 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | trans | -46.5 | 129.8 | 176.4 | 167.8 | 0 | 0 | 0 | 0 | 111.9 | D142 Q170 P174 | D142-S172 WeakPolarHBondContact OD1-CB 3.34Å; D142-S172 PolarHBondContact OD1-OG 3.25Å; D142-S172 PolarHBondContact OD2-OG 2.89Å; Q170-S172 PolarHBondContact O-N 2.74Å; S172-P174 WeakPolarHBondContact OG-CD 3.49Å; S172-P174 WeakPolarHBondContact OG-CG 3.44Å | ||
| 173 | S | 85 | Confident | 93 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | trans | -126.3 | 82.9 | 172 | -173.7 | 0 | 0 | 0 | 0 | 108 | K139 K171 | K139-S173 WeakPolarHBondContact CE-O 3.3Å; K171-S173 PolarHBondContact O-N 2.94Å | ||
| 174 | P | 83.2 | Confident | 93 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | trans | -62 | 150.6 | -172.6 | -22.6 | 32.8 | 0 | 0 | 0 | 112.2 | S172 V176 | S172-P174 WeakPolarHBondContact OG-CD 3.49Å; S172-P174 WeakPolarHBondContact OG-CG 3.44Å; P174-V176 PolarHBondContact O-N 3.31Å; P174-V176 VanDerWaalsContact O-N 3.09Å | ||
| 175 | V | 86.9 | Confident | 93.1 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | trans | -66.3 | 111.9 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 110 | F140 Y177 F180 A202 | F140-V175 HydrophobicContact CD1-CG1 4.48Å; F140-V175 HydrophobicContact CD1-CG2 4.24Å; F140-V175 HydrophobicContact CD2-CG2 3.88Å; F140-V175 HydrophobicContact CE1-CG1 4.1Å; F140-V175 HydrophobicContact CE1-CG2 4.34Å; F140-V175 HydrophobicContact CE2-CG2 3.94Å; F140-V175 HydrophobicContact CG-CG2 4.01Å; F140-V175 HydrophobicContact CZ-CG1 4.23Å; F140-V175 HydrophobicContact CZ-CG2 4.17Å; V175-Y177 WeakPolarHBondContact CG1-O 3.19Å; V175-F180 HydrophobicContact CG1-CD1 4.23Å; V175-A202 HydrophobicContact CB-CB 3.92Å; V175-A202 HydrophobicContact CG1-CB 4.42Å | ||
| 176 | V | 85.9 | Confident | 93.1 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | trans | -108.6 | -9.1 | -179.3 | -66.5 | 0 | 0 | 0 | 0 | 114.2 | P174 | P174-V176 PolarHBondContact O-N 3.31Å; P174-V176 VanDerWaalsContact O-N 3.09Å | ||
| 177 | Y | 88.6 | Confident | 93 | Very high | 182 Ų | 182 | 69.9 Ų | 69.9 | 71% | 0.714 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -119.7 | 148.2 | 178.1 | -60.5 | -65.5 | 0 | 0 | 0 | 112 | V175 | V175-Y177 WeakPolarHBondContact CG1-O 3.19Š|
| 178 | P | 90.6 | Very high | 92.9 | Very high | 97 Ų | 97 | 67.3 Ų | 67.3 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -67.8 | 160.5 | 176.5 | 29.5 | -35.4 | 0 | 0 | 0 | 112.2 | F180 | P178-F180 HydrophobicContact CB-CD2 4.4Å; P178-F180 HydrophobicContact CB-CE2 4.16Å; P178-F180 HydrophobicContact CB-CZ 4.32Å |
| 179 | P | 92 | Very high | 92.6 | Very high | 88 Ų | 88 | 68.2 Ų | 68.2 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | cis | -69.4 | 140.6 | -5.7 | 29.8 | -34 | 0 | 0 | 0 | 110.5 | F140 V181 | F140-P179 WeakPolarHBondContact CE1-O 3.42Å; P179-V181 PolarHBondContact O-N 2.93Å | ||
| 180 | F | 96.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 70.1 Ų | 70.1 | 25% | 0.25 | 40% | 0.401 | C | S | . | . | trans | -87.3 | 10 | -178.6 | -58.8 | -61.3 | 0 | 0 | 0 | 113.6 | V175 P178 A202 K204 A205 | V175-F180 HydrophobicContact CG1-CD1 4.23Å; P178-F180 HydrophobicContact CB-CD2 4.4Å; P178-F180 HydrophobicContact CB-CE2 4.16Å; P178-F180 HydrophobicContact CB-CZ 4.32Å; F180-A202 HydrophobicContact CB-CB 4.4Å; F180-A202 PolarHBondContact O-N 2.83Å; F180-K204 HydrophobicContact CD1-CB 3.47Å; F180-K204 VanDerWaalsContact CD1-CB 3.47Å; F180-K204 HydrophobicContact CD1-CG 4.48Å; F180-K204 HydrophobicContact CD2-CB 4.28Å; F180-K204 WeakPolarHBondContact CD2-O 3.42Å; F180-K204 HydrophobicContact CE1-CB 3.49Å; F180-K204 VanDerWaalsContact CE1-CB 3.49Å; F180-K204 HydrophobicContact CE1-CG 4.23Å; F180-K204 HydrophobicContact CE2-CB 4.31Å; F180-K204 HydrophobicContact CG-CB 3.89Å; F180-K204 HydrophobicContact CZ-CB 3.94Å; F180-A205 HydrophobicContact CB-CB 3.64Å | ||
| 181 | V | 97.2 | Very high | 91.7 | Very high | 15 Ų | 15 | 71.7 Ų | 71.7 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.5 | 176.8 | -174 | 0 | 0 | 0 | 0 | 107.1 | P179 V199 G200 K201 A205 I207 Y213 | P179-V181 PolarHBondContact O-N 2.93Å; V181-V199 HydrophobicContact CG1-CG1 3.52Å; V181-G200 WeakPolarHBondContact CA-O 3.45Å; V181-G200 WeakPolarHBondContact CG1-O 3.24Å; V181-K201 HydrophobicContact CG2-CB 4.32Å; V181-K201 HydrophobicContact CG2-CG 4.1Å; V181-A205 HydrophobicContact CG2-CB 4.2Å; V181-I207 HydrophobicContact CG2-CD1 3.86Å; V181-Y213 HydrophobicContact CB-CD2 4.15Å; V181-Y213 HydrophobicContact CB-CE2 3.86Å; V181-Y213 HydrophobicContact CG1-CD1 3.78Å; V181-Y213 HydrophobicContact CG1-CD2 3.79Å; V181-Y213 HydrophobicContact CG1-CE1 3.56Å; V181-Y213 HydrophobicContact CG1-CE2 3.59Å; V181-Y213 HydrophobicContact CG1-CG 3.87Å; V181-Y213 VanDerWaalsContact CG1-CZ 3.46Å; V181-Y213 HydrophobicContact CG2-CD2 4.31Å; V181-Y213 HydrophobicContact CG2-CE2 4.49Å |
| 182 | R | 97.2 | Very high | 91.7 | Very high | 98 Ų | 98 | 65.8 Ų | 65.8 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 141 | 175.3 | -172.5 | 172.4 | -78.8 | -175.8 | -5.8 | 109.6 | V137 F140 V199 G200 | V137-R182 HydrophobicContact CG2-CG 4.12Å; F140-R182 HydrophobicContact CD1-CB 3.74Å; F140-R182 HydrophobicContact CD2-CB 3.77Å; F140-R182 HydrophobicContact CE1-CB 3.61Å; F140-R182 HydrophobicContact CE2-CB 3.7Å; F140-R182 HydrophobicContact CE2-CG 4.26Å; F140-R182 VanDerWaalsContact CE2-CZ 3.47Å; F140-R182 VanDerWaalsContact CE2-NE 3.29Å; F140-R182 HydrophobicContact CG-CB 3.83Å; F140-R182 HydrophobicContact CZ-CB 3.63Å; F140-R182 HydrophobicContact CZ-CG 4.37Å; R182-V199 CarbonylContact O-C 3.14Å; R182-V199 WeakPolarHBondContact O-CA 3.36Å; R182-G200 PolarHBondContact N-O 3.24Å; R182-G200 PolarHBondContact O-N 3.32Å |
| 183 | G | 97.7 | Very high | 91.9 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 156.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F198 | G183-F198 CarbonylContact C-O 3.51Å; G183-F198 VanDerWaalsContact CA-O 3.23Å; G183-F198 WeakPolarHBondContact CA-O 3.34Å |
| 184 | M | 98.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 61 Ų | 61 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 163.3 | 170.5 | 68.6 | 177.4 | -70.4 | 0 | 0 | 110.2 | S130 W134 V137 F186 T197 F198 | S130-M184 WeakPolarHBondContact O-CE 3.39Å; W134-M184 WeakPolarHBondContact CA-SD 2.98Å; W134-M184 HydrophobicContact CB-CE 4.34Å; W134-M184 HydrophobicContact CB-SD 3.94Å; W134-M184 PolarHBondContact N-SD 2.97Å; V137-M184 HydrophobicContact CB-SD 4.5Å; V137-M184 HydrophobicContact CG2-CB 3.85Å; V137-M184 HydrophobicContact CG2-CG 3.68Å; V137-M184 HydrophobicContact CG2-SD 3.91Å; M184-F186 HydrophobicContact CE-CB 4.48Å; M184-F186 HydrophobicContact CE-CD1 3.95Å; M184-T197 WeakPolarHBondContact O-CA 3.35Å; M184-F198 HydrophobicContact CG-CB 3.94Å; M184-F198 HydrophobicContact CG-CD1 4.36Å; M184-F198 PolarHBondContact N-O 3.44Å; M184-F198 PolarHBondContact O-N 3.02Å; M184-F198 HydrophobicContact SD-CD1 4.14Å |
| 185 | T | 98.4 | Very high | 93 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 55% | 0.546 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.4 | 168.6 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | T196 T197 | T185-T196 CarbonylContact C-O 3.45Å; T185-T196 WeakPolarHBondContact CA-O 3.47Å; T185-T197 HydrophobicContact CG2-CG2 4.28Å |
| 186 | F | 98 | Very high | 93.5 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 4% | 0.044 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 161.4 | 171.9 | 67 | -81.3 | 0 | 0 | 0 | 109.1 | W94 L124 S125 L126 M184 T188 T196 | W94-F186 HydrophobicContact CE3-CZ 4.19Å; W94-F186 HydrophobicContact CZ3-CE1 4.27Å; W94-F186 HydrophobicContact CZ3-CZ 4.27Å; L124-F186 HydrophobicContact CD1-CZ 4.23Å; S125-F186 WeakPolarHBondContact O-CE2 3.18Å; L126-F186 HydrophobicContact CD1-CD1 4.25Å; L126-F186 HydrophobicContact CD1-CD2 3.92Å; L126-F186 HydrophobicContact CD1-CE1 4.1Å; L126-F186 HydrophobicContact CD1-CE2 3.76Å; L126-F186 HydrophobicContact CD1-CG 4.16Å; L126-F186 HydrophobicContact CD1-CZ 3.85Å; M184-F186 HydrophobicContact CE-CB 4.48Å; M184-F186 HydrophobicContact CE-CD1 3.95Å; F186-T188 HydrophobicContact CE2-CG2 4.09Å; F186-T196 HydrophobicContact CD1-CG2 4.36Å; F186-T196 HydrophobicContact CE1-CG2 3.56Å; F186-T196 HydrophobicContact CE2-CG2 4.37Å; F186-T196 HydrophobicContact CZ-CG2 3.57Å; F186-T196 PolarHBondContact N-O 2.93Å; F186-T196 WeakPolarHBondContact O-CA 3.37Å; F186-T196 PolarHBondContact O-N 2.74Å |
| 187 | T | 96.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 57 Ų | 57 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.3 | 174.5 | -56.7 | 0 | 0 | 0 | 0 | 108.6 | P127 | P127-T187 WeakPolarHBondContact CG-O 3.49Å |
| 188 | T | 94.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | trans | -64.5 | 144.9 | 172.6 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | L124 S125 F186 G193 A194 | L124-T188 HydrophobicContact CB-CG2 4.16Å; L124-T188 HydrophobicContact CD2-CG2 4.11Å; S125-T188 WeakPolarHBondContact OG-CA 3.22Å; S125-T188 VanDerWaalsContact OG-CB 3.25Å; S125-T188 WeakPolarHBondContact OG-CB 3.28Å; F186-T188 HydrophobicContact CE2-CG2 4.09Å; T188-G193 WeakPolarHBondContact O-CA 3.12Å; T188-G193 WeakPolarHBondContact OG1-CA 3.5Å; T188-A194 PolarHBondContact N-O 3.33Å; T188-A194 VanDerWaalsContact N-O 3.12Å; T188-A194 PolarHBondContact OG1-N 3.26Å | ||
| 189 | A | 90.7 | Very high | 95 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -63.8 | 162.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L5 S125 | L5-A189 HydrophobicContact CD1-CB 4.34Å; S125-A189 PolarHBondContact OG-N 2.88Å |
| 190 | G | 86 | Confident | 95.3 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 61% | 0.608 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 97.1 | 162.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | N192 G193 | G190-N192 PolarHBondContact O-N 3.35Å; G190-N192 VanDerWaalsContact O-N 3.17Å; G190-G193 PolarHBondContact O-N 3.38Å; G190-G193 VanDerWaalsContact O-N 3.1Å |
| 191 | T | 85.4 | Confident | 95.3 | Very high | 144 Ų | 144 | 37.1 Ų | 37.1 | 88% | 0.883 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.2 | -175.5 | -51 | 0 | 0 | 0 | 0 | 113.6 | ||
| 192 | N | 89.6 | Confident | 95.3 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 33.4 | 179.9 | -58.5 | -53.3 | 0 | 0 | 0 | 111.6 | A23 A24 A25 G190 | A23-N192 HydrophobicContact CB-CB 4.2Å; A24-N192 WeakPolarHBondContact CA-ND2 3.25Å; A25-N192 WeakPolarHBondContact CA-OD1 3.47Å; A25-N192 PolarHBondContact N-OD1 3.46Å; G190-N192 PolarHBondContact O-N 3.35Å; G190-N192 VanDerWaalsContact O-N 3.17Å |
| 193 | G | 90.6 | Very high | 95.1 | Very high | 29 Ų | 29 | 34 Ų | 34 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | trans | -62.8 | 148.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T188 G190 | T188-G193 WeakPolarHBondContact O-CA 3.12Å; T188-G193 WeakPolarHBondContact OG1-CA 3.5Å; G190-G193 PolarHBondContact O-N 3.38Å; G190-G193 VanDerWaalsContact O-N 3.1Å | ||
| 194 | A | 94.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | trans | -108 | 140 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | M6 T188 T196 L302 | M6-A194 HydrophobicContact SD-CB 3.92Å; T188-A194 PolarHBondContact N-O 3.33Å; T188-A194 VanDerWaalsContact N-O 3.12Å; T188-A194 PolarHBondContact OG1-N 3.26Å; A194-T196 PolarHBondContact O-N 3.12Å; A194-T196 PolarHBondContact O-OG1 2.84Å; A194-L302 HydrophobicContact CB-CB 4.49Å; A194-L302 HydrophobicContact CB-CD2 4.35Å | ||
| 195 | L | 97.5 | Very high | 94.8 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 119.9 | 164.4 | 178.7 | 66.9 | 0 | 0 | 0 | 107.9 | Q303 | L195-Q303 HydrophobicContact CB-CB 4.18Å; L195-Q303 WeakPolarHBondContact O-CB 3.46Å; L195-Q303 PolarHBondContact O-N 2.86Å |
| 196 | T | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.2 | -175.5 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | L124 T185 F186 A194 V300 C301 L302 | L124-T196 HydrophobicContact CD1-CG2 4.04Å; T185-T196 CarbonylContact C-O 3.45Å; T185-T196 WeakPolarHBondContact CA-O 3.47Å; F186-T196 HydrophobicContact CD1-CG2 4.36Å; F186-T196 HydrophobicContact CE1-CG2 3.56Å; F186-T196 HydrophobicContact CE2-CG2 4.37Å; F186-T196 HydrophobicContact CZ-CG2 3.57Å; F186-T196 PolarHBondContact N-O 2.93Å; F186-T196 WeakPolarHBondContact O-CA 3.37Å; F186-T196 PolarHBondContact O-N 2.74Å; A194-T196 PolarHBondContact O-N 3.12Å; A194-T196 PolarHBondContact O-OG1 2.84Å; T196-V300 HydrophobicContact CG2-CG1 3.7Å; T196-C301 CarbonylContact C-O 3.56Å; T196-C301 VanDerWaalsContact CA-O 3.29Å; T196-C301 WeakPolarHBondContact CA-O 3.33Å; T196-L302 HydrophobicContact CG2-CD2 3.88Å; T196-L302 WeakPolarHBondContact OG1-CD2 3.37Å |
| 197 | T | 98.7 | Very high | 94.4 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.2 | 172.6 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | M184 T185 V199 L217 V300 C301 | M184-T197 WeakPolarHBondContact O-CA 3.35Å; T185-T197 HydrophobicContact CG2-CG2 4.28Å; T197-V199 HydrophobicContact CG2-CG2 4.06Å; T197-L217 HydrophobicContact CG2-CD2 3.89Å; T197-V300 CarbonylContact O-C 3.39Å; T197-V300 WeakPolarHBondContact O-CA 3.43Å; T197-C301 PolarHBondContact N-O 2.79Å; T197-C301 PolarHBondContact O-N 3.44Å |
| 198 | F | 98.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.9 | 173.8 | 174 | -147.6 | 0 | 0 | 0 | 109.5 | W94 W134 V137 L138 E141 G183 M184 V300 | W94-F198 HydrophobicContact CH2-CB 4.18Å; W94-F198 AromaticContact CH2-CD1 3.75Å; W94-F198 HydrophobicContact CH2-CD1 3.75Å; W94-F198 AromaticContact CH2-CD2 3.74Å; W94-F198 HydrophobicContact CH2-CD2 3.74Å; W94-F198 AromaticContact CH2-CE1 3.98Å; W94-F198 HydrophobicContact CH2-CE1 3.98Å; W94-F198 AromaticContact CH2-CE2 3.99Å; W94-F198 HydrophobicContact CH2-CE2 3.99Å; W94-F198 AromaticContact CH2-CG 3.63Å; W94-F198 HydrophobicContact CH2-CG 3.63Å; W94-F198 HydrophobicContact CH2-CZ 4.11Å; W94-F198 HydrophobicContact CZ2-CE1 4.39Å; W94-F198 HydrophobicContact CZ2-CE2 4.37Å; W94-F198 HydrophobicContact CZ2-CZ 4.29Å; W94-F198 HydrophobicContact CZ3-CB 4.25Å; W94-F198 HydrophobicContact CZ3-CD1 4.18Å; W94-F198 HydrophobicContact CZ3-CG 4.12Å; W134-F198 AromaticContact CD1-CD1 3.87Å; W134-F198 AromaticContact CD1-CE1 3.89Å; V137-F198 HydrophobicContact CB-CD1 3.64Å; V137-F198 HydrophobicContact CB-CE1 3.54Å; V137-F198 HydrophobicContact CB-CG 4.4Å; V137-F198 HydrophobicContact CB-CZ 4.22Å; V137-F198 HydrophobicContact CG1-CD1 3.49Å; V137-F198 VanDerWaalsContact CG1-CD1 3.49Å; V137-F198 HydrophobicContact CG1-CD2 4.01Å; V137-F198 HydrophobicContact CG1-CE1 3.42Å; V137-F198 VanDerWaalsContact CG1-CE1 3.42Å; V137-F198 HydrophobicContact CG1-CE2 3.94Å; V137-F198 HydrophobicContact CG1-CG 3.79Å; V137-F198 HydrophobicContact CG1-CZ 3.66Å; V137-F198 HydrophobicContact CG2-CD1 4.39Å; L138-F198 HydrophobicContact CB-CE1 4.21Å; L138-F198 HydrophobicContact CB-CZ 4.25Å; L138-F198 HydrophobicContact CD1-CZ 4.12Å; E141-F198 WeakPolarHBondContact OE1-CE2 3.23Å; E141-F198 WeakPolarHBondContact OE1-CZ 3.43Å; G183-F198 CarbonylContact C-O 3.51Å; G183-F198 VanDerWaalsContact CA-O 3.23Å; G183-F198 WeakPolarHBondContact CA-O 3.34Å; M184-F198 HydrophobicContact CG-CB 3.94Å; M184-F198 HydrophobicContact CG-CD1 4.36Å; M184-F198 PolarHBondContact N-O 3.44Å; M184-F198 PolarHBondContact O-N 3.02Å; M184-F198 HydrophobicContact SD-CD1 4.14Å; F198-V300 HydrophobicContact CD2-CG2 3.83Å; F198-V300 HydrophobicContact CE2-CG2 4.31Å |
| 199 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.4 | 177.3 | -178 | 0 | 0 | 0 | 0 | 109.8 | V181 R182 T197 I209 Y213 M214 L217 G298 V299 | V181-V199 HydrophobicContact CG1-CG1 3.52Å; R182-V199 CarbonylContact O-C 3.14Å; R182-V199 WeakPolarHBondContact O-CA 3.36Å; T197-V199 HydrophobicContact CG2-CG2 4.06Å; V199-I209 HydrophobicContact CG1-CD1 4.06Å; V199-Y213 HydrophobicContact CG1-CD1 3.73Å; V199-Y213 HydrophobicContact CG1-CE1 3.58Å; V199-Y213 HydrophobicContact CG2-CE1 4.16Å; V199-M214 HydrophobicContact CB-SD 3.77Å; V199-M214 HydrophobicContact CG1-SD 4.08Å; V199-M214 HydrophobicContact CG2-CE 3.98Å; V199-M214 HydrophobicContact CG2-SD 3.6Å; V199-M214 VanDerWaalsContact CG2-SD 3.6Å; V199-L217 HydrophobicContact CG2-CD2 3.57Å; V199-G298 CarbonylContact O-C 3.53Å; V199-G298 WeakPolarHBondContact O-CA 3.48Å; V199-V299 PolarHBondContact N-O 2.99Å; V199-V299 PolarHBondContact O-N 2.89Å |
| 200 | G | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V181 R182 | V181-G200 WeakPolarHBondContact CA-O 3.45Å; V181-G200 WeakPolarHBondContact CG1-O 3.24Å; R182-G200 PolarHBondContact N-O 3.24Å; R182-G200 PolarHBondContact O-N 3.32Å |
| 201 | K | 96.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.1 | 178.8 | 174.8 | -176.5 | 74.3 | 76.4 | 0 | 110.1 | F140 V181 A205 I207 I209 K293 M295 P296 G297 | F140-K201 CarbonylContact O-C 3.49Å; F140-K201 VanDerWaalsContact O-O 3.06Å; V181-K201 HydrophobicContact CG2-CB 4.32Å; V181-K201 HydrophobicContact CG2-CG 4.1Å; K201-A205 HydrophobicContact CD-CB 3.93Å; K201-A205 HydrophobicContact CG-CB 3.54Å; K201-I207 HydrophobicContact CD-CD1 4.25Å; K201-I207 HydrophobicContact CD-CG1 3.59Å; K201-I207 WeakPolarHBondContact CE-O 3.28Å; K201-I209 HydrophobicContact CB-CD1 3.67Å; K201-I209 HydrophobicContact CB-CG1 4.29Å; K201-I209 HydrophobicContact CD-CB 4.01Å; K201-I209 HydrophobicContact CD-CD1 4.48Å; K201-I209 HydrophobicContact CD-CG1 4.29Å; K201-K293 PolarHBondContact NZ-O 2.84Å; K201-K293 VanDerWaalsContact NZ-O 3.16Å; K201-M295 PolarHBondContact NZ-O 2.74Å; K201-P296 CarbonylContact O-C 3.54Å; K201-P296 WeakPolarHBondContact O-CA 3.35Å; K201-P296 WeakPolarHBondContact O-CB 3.25Å; K201-G297 WeakPolarHBondContact CB-O 3.45Å; K201-G297 PolarHBondContact N-O 3.35Å; K201-G297 PolarHBondContact O-N 2.85Å |
| 202 | A | 96.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | trans | -79.6 | 154.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F140 V175 F180 K204 A205 | F140-A202 WeakPolarHBondContact O-CA 3.48Å; F140-A202 PolarHBondContact O-N 2.97Å; F140-A202 VanDerWaalsContact O-N 3.11Å; V175-A202 HydrophobicContact CB-CB 3.92Å; V175-A202 HydrophobicContact CG1-CB 4.42Å; F180-A202 HydrophobicContact CB-CB 4.4Å; F180-A202 PolarHBondContact O-N 2.83Å; A202-K204 PolarHBondContact O-N 3.41Å; A202-K204 VanDerWaalsContact O-N 3.12Å; A202-A205 VanDerWaalsContact O-CB 3.3Å; A202-A205 WeakPolarHBondContact O-CB 3.32Å; A202-A205 PolarHBondContact O-N 3.29Å | ||
| 203 | S | 93.6 | Very high | 96 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 30% | 0.301 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -53.7 | -32.3 | 175.2 | 56 | 0 | 0 | 0 | 0 | 113 | A205 N294 | S203-A205 PolarHBondContact O-N 3.16Å; S203-N294 WeakPolarHBondContact CB-O 3.33Å; S203-N294 WeakPolarHBondContact O-CA 3.15Å |
| 204 | K | 94.2 | Very high | 96.3 | Very high | 103 Ų | 103 | 31.2 Ų | 31.2 | 45% | 0.448 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -70.3 | -7.9 | 178 | -66.1 | -63.5 | -173.1 | 179.5 | 0 | 115 | F180 A202 F206 | F180-K204 HydrophobicContact CD1-CB 3.47Å; F180-K204 VanDerWaalsContact CD1-CB 3.47Å; F180-K204 HydrophobicContact CD1-CG 4.48Å; F180-K204 HydrophobicContact CD2-CB 4.28Å; F180-K204 WeakPolarHBondContact CD2-O 3.42Å; F180-K204 HydrophobicContact CE1-CB 3.49Å; F180-K204 VanDerWaalsContact CE1-CB 3.49Å; F180-K204 HydrophobicContact CE1-CG 4.23Å; F180-K204 HydrophobicContact CE2-CB 4.31Å; F180-K204 HydrophobicContact CG-CB 3.89Å; F180-K204 HydrophobicContact CZ-CB 3.94Å; A202-K204 PolarHBondContact O-N 3.41Å; A202-K204 VanDerWaalsContact O-N 3.12Å; K204-F206 HydrophobicContact CD-CE2 4.41Å; K204-F206 WeakPolarHBondContact O-CD2 3.28Å |
| 205 | A | 94.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 15% | 0.149 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -72 | -30.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F180 V181 K201 A202 S203 I207 | F180-A205 HydrophobicContact CB-CB 3.64Å; V181-A205 HydrophobicContact CG2-CB 4.2Å; K201-A205 HydrophobicContact CD-CB 3.93Å; K201-A205 HydrophobicContact CG-CB 3.54Å; A202-A205 VanDerWaalsContact O-CB 3.3Å; A202-A205 WeakPolarHBondContact O-CB 3.32Å; A202-A205 PolarHBondContact O-N 3.29Å; S203-A205 PolarHBondContact O-N 3.16Å; A205-I207 HydrophobicContact CB-CD1 4.38Å; A205-I207 HydrophobicContact CB-CG1 3.94Å; A205-I207 WeakPolarHBondContact O-CG2 3.17Å; A205-I207 PolarHBondContact O-N 3.14Å; A205-I207 VanDerWaalsContact O-N 3.14Å |
| 206 | F | 94.2 | Very high | 96.3 | Very high | 121 Ų | 121 | 32.3 Ų | 32.3 | 53% | 0.531 | 16% | 0.163 | S | C | . | . | trans | 52.2 | 31.5 | -177.9 | -63.4 | -82 | 0 | 0 | 0 | 115 | K204 K293 N294 | K204-F206 HydrophobicContact CD-CE2 4.41Å; K204-F206 WeakPolarHBondContact O-CD2 3.28Å; F206-K293 CarbonylContact C-O 3.55Å; F206-K293 VanDerWaalsContact CA-O 3.22Å; F206-K293 WeakPolarHBondContact CA-O 3.29Å; F206-K293 PolarHBondContact N-O 3.03Å; F206-K293 WeakPolarHBondContact O-CE 3.41Å; F206-N294 HydrophobicContact CD1-CB 3.56Å; F206-N294 HydrophobicContact CE1-CB 3.47Å; F206-N294 VanDerWaalsContact CE1-CB 3.47Å; F206-N294 HydrophobicContact CZ-CB 4.48Å | ||
| 207 | I | 95.2 | Very high | 96.2 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -121.3 | 156.4 | -179.4 | 63.9 | 175.9 | 0 | 0 | 0 | 113 | V181 K201 A205 K212 K293 | V181-I207 HydrophobicContact CG2-CD1 3.86Å; K201-I207 HydrophobicContact CD-CD1 4.25Å; K201-I207 HydrophobicContact CD-CG1 3.59Å; K201-I207 WeakPolarHBondContact CE-O 3.28Å; A205-I207 HydrophobicContact CB-CD1 4.38Å; A205-I207 HydrophobicContact CB-CG1 3.94Å; A205-I207 WeakPolarHBondContact O-CG2 3.17Å; A205-I207 PolarHBondContact O-N 3.14Å; A205-I207 VanDerWaalsContact O-N 3.14Å; I207-K212 HydrophobicContact CB-CB 3.96Å; I207-K212 HydrophobicContact CB-CG 4.18Å; I207-K212 HydrophobicContact CD1-CB 4.19Å; I207-K212 HydrophobicContact CG2-CB 4.21Å; I207-K212 HydrophobicContact CG2-CG 4.37Å; I207-K293 PolarHBondContact N-O 3.14Å; I207-K293 WeakPolarHBondContact O-CA 3.4Å |
| 208 | D | 95 | Very high | 96.2 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 8% | 0.075 | 18% | 0.184 | C | C | . | . | trans | -77.5 | 110.9 | 159.8 | 171.7 | 32.4 | 0 | 0 | 0 | 108.6 | Y210 S211 K212 L234 R288 | D208-Y210 PolarHBondContact O-N 2.76Å; D208-Y210 WeakPolarHBondContact OD1-CD2 3.39Å; D208-S211 PolarHBondContact O-N 2.91Å; D208-S211 VanDerWaalsContact OD2-CB 3.29Å; D208-S211 WeakPolarHBondContact OD2-CB 3.44Å; D208-S211 PolarHBondContact OD2-N 2.9Å; D208-S211 PolarHBondContact OD2-OG 2.89Å; D208-K212 WeakPolarHBondContact O-CB 3.42Å; D208-K212 PolarHBondContact O-N 2.6Å; D208-L234 HydrophobicContact CB-CD1 3.89Å; D208-R288 IonicContact OD1-NE 2.99Å; D208-R288 IonicContact OD2-CZ 2.77Å; D208-R288 IonicContact OD2-NE 2.63Å; D208-R288 PolarHBondContact OD2-NE 2.91Å; D208-R288 IonicContact OD2-NH2 3.47Å; D208-R288 PolarHBondContact OD2-NH2 3.07Å | ||
| 209 | I | 96.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -33.9 | -171.6 | -160.9 | 174 | 0 | 0 | 0 | 111.8 | V199 K201 Y213 M214 A286 V299 | V199-I209 HydrophobicContact CG1-CD1 4.06Å; K201-I209 HydrophobicContact CB-CD1 3.67Å; K201-I209 HydrophobicContact CB-CG1 4.29Å; K201-I209 HydrophobicContact CD-CB 4.01Å; K201-I209 HydrophobicContact CD-CD1 4.48Å; K201-I209 HydrophobicContact CD-CG1 4.29Å; I209-Y213 WeakPolarHBondContact O-CB 3.36Å; I209-Y213 PolarHBondContact O-N 2.93Å; I209-Y213 VanDerWaalsContact O-N 3.16Å; I209-M214 HydrophobicContact CG1-CG 4.31Å; I209-M214 WeakPolarHBondContact O-CG 3.23Å; I209-M214 PolarHBondContact O-N 2.96Å; I209-A286 HydrophobicContact CG2-CB 3.73Å; I209-V299 HydrophobicContact CD1-CG2 4.07Å; I209-V299 HydrophobicContact CG2-CG2 3.81Å |
| 210 | Y | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -66 | -59.6 | -178.9 | -57.7 | -87.1 | 0 | 0 | 0 | 111.6 | D208 M214 G215 V224 A270 S284 A286 R288 V299 | D208-Y210 PolarHBondContact O-N 2.76Å; D208-Y210 WeakPolarHBondContact OD1-CD2 3.39Å; Y210-M214 PolarHBondContact O-N 2.84Å; Y210-G215 PolarHBondContact O-N 2.74Å; Y210-V224 HydrophobicContact CD1-CG1 4.32Å; Y210-V224 HydrophobicContact CD1-CG2 3.85Å; Y210-V224 HydrophobicContact CE1-CG1 3.94Å; Y210-V224 HydrophobicContact CE1-CG2 4.24Å; Y210-V224 HydrophobicContact CE2-CG1 4.44Å; Y210-V224 HydrophobicContact CG-CG2 4.23Å; Y210-A270 HydrophobicContact CD1-CB 4.06Å; Y210-A270 HydrophobicContact CE1-CB 3.88Å; Y210-S284 WeakPolarHBondContact OH-CB 3.46Å; Y210-S284 PolarHBondContact OH-OG 2.96Å; Y210-A286 HydrophobicContact CE2-CB 4.19Å; Y210-A286 WeakPolarHBondContact CE2-O 3.14Å; Y210-A286 PolarHBondContact OH-O 3.09Å; Y210-R288 HydrophobicContact CD2-CG 3.6Å; Y210-R288 HydrophobicContact CE2-CG 3.58Å; Y210-V299 HydrophobicContact CE1-CG2 4.37Å |
| 211 | S | 95.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -79.8 | -24.3 | -172.9 | 64.1 | 0 | 0 | 0 | 0 | 114.5 | D208 | D208-S211 PolarHBondContact O-N 2.91Å; D208-S211 VanDerWaalsContact OD2-CB 3.29Å; D208-S211 WeakPolarHBondContact OD2-CB 3.44Å; D208-S211 PolarHBondContact OD2-N 2.9Å; D208-S211 PolarHBondContact OD2-OG 2.89Å |
| 212 | K | 95.2 | Very high | 96.1 | Very high | 122 Ų | 122 | 44.5 Ų | 44.5 | 53% | 0.53 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -100.8 | -12.9 | -177.5 | -60 | -54.9 | -178 | -172.8 | 0 | 114.3 | I207 D208 | I207-K212 HydrophobicContact CB-CB 3.96Å; I207-K212 HydrophobicContact CB-CG 4.18Å; I207-K212 HydrophobicContact CD1-CB 4.19Å; I207-K212 HydrophobicContact CG2-CB 4.21Å; I207-K212 HydrophobicContact CG2-CG 4.37Å; D208-K212 WeakPolarHBondContact O-CB 3.42Å; D208-K212 PolarHBondContact O-N 2.6Å |
| 213 | Y | 95.9 | Very high | 96.2 | Very high | 71 Ų | 71 | 44.3 Ų | 44.3 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -134.5 | -61.8 | -178.4 | -158.8 | -94.1 | 0 | 0 | 0 | 112.1 | V181 V199 I209 G215 V216 L217 | V181-Y213 HydrophobicContact CB-CD2 4.15Å; V181-Y213 HydrophobicContact CB-CE2 3.86Å; V181-Y213 HydrophobicContact CG1-CD1 3.78Å; V181-Y213 HydrophobicContact CG1-CD2 3.79Å; V181-Y213 HydrophobicContact CG1-CE1 3.56Å; V181-Y213 HydrophobicContact CG1-CE2 3.59Å; V181-Y213 HydrophobicContact CG1-CG 3.87Å; V181-Y213 VanDerWaalsContact CG1-CZ 3.46Å; V181-Y213 HydrophobicContact CG2-CD2 4.31Å; V181-Y213 HydrophobicContact CG2-CE2 4.49Å; V199-Y213 HydrophobicContact CG1-CD1 3.73Å; V199-Y213 HydrophobicContact CG1-CE1 3.58Å; V199-Y213 HydrophobicContact CG2-CE1 4.16Å; I209-Y213 WeakPolarHBondContact O-CB 3.36Å; I209-Y213 PolarHBondContact O-N 2.93Å; I209-Y213 VanDerWaalsContact O-N 3.16Å; Y213-G215 PolarHBondContact O-N 2.95Å; Y213-V216 PolarHBondContact O-N 2.85Å; Y213-V216 VanDerWaalsContact O-N 3.12Å; Y213-L217 HydrophobicContact CD1-CB 4.47Å; Y213-L217 HydrophobicContact CD1-CD2 4.34Å; Y213-L217 HydrophobicContact CE1-CD2 3.94Å; Y213-L217 WeakPolarHBondContact O-CB 3.48Å; Y213-L217 PolarHBondContact O-N 3.42Å |
| 214 | M | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -61.7 | -46.6 | -170.2 | -63.2 | -51.2 | -60.6 | 0 | 0 | 113.5 | V199 I209 Y210 V216 L217 L218 L222 V299 | V199-M214 HydrophobicContact CB-SD 3.77Å; V199-M214 HydrophobicContact CG1-SD 4.08Å; V199-M214 HydrophobicContact CG2-CE 3.98Å; V199-M214 HydrophobicContact CG2-SD 3.6Å; V199-M214 VanDerWaalsContact CG2-SD 3.6Å; I209-M214 HydrophobicContact CG1-CG 4.31Å; I209-M214 WeakPolarHBondContact O-CG 3.23Å; I209-M214 PolarHBondContact O-N 2.96Å; Y210-M214 PolarHBondContact O-N 2.84Å; M214-V216 PolarHBondContact O-N 2.89Å; M214-L217 HydrophobicContact CE-CD2 4.26Å; M214-L217 PolarHBondContact O-N 3.47Å; M214-L217 HydrophobicContact SD-CD2 4.38Å; M214-L218 HydrophobicContact CB-CD1 4.35Å; M214-L218 HydrophobicContact CE-CD1 3.87Å; M214-L218 HydrophobicContact CE-CG 4.15Å; M214-L218 VanDerWaalsContact O-CB 3.29Å; M214-L218 WeakPolarHBondContact O-CB 3.41Å; M214-L218 VanDerWaalsContact O-CG 3.31Å; M214-L218 WeakPolarHBondContact O-CG 3.33Å; M214-L218 PolarHBondContact O-N 3.19Å; M214-L222 HydrophobicContact CB-CD1 4Å; M214-V299 HydrophobicContact CE-CB 4.24Å; M214-V299 HydrophobicContact CE-CG1 3.92Å; M214-V299 HydrophobicContact CG-CB 4.29Å; M214-V299 HydrophobicContact CG-CG1 4.32Å; M214-V299 HydrophobicContact CG-CG2 4.07Å; M214-V299 HydrophobicContact SD-CB 4.12Å; M214-V299 HydrophobicContact SD-CG1 4.37Å; M214-V299 HydrophobicContact SD-CG2 4.44Å |
| 215 | G | 96.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -34.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y210 Y213 Q219 Q220 Y242 | Y210-G215 PolarHBondContact O-N 2.74Å; Y213-G215 PolarHBondContact O-N 2.95Å; G215-Q219 CarbonylContact O-C 3.54Å; G215-Q219 VanDerWaalsContact O-CA 3.31Å; G215-Q219 WeakPolarHBondContact O-CA 3.22Å; G215-Q219 PolarHBondContact O-N 3.04Å; G215-Q220 VanDerWaalsContact CA-O 3.31Å; G215-Q220 WeakPolarHBondContact CA-O 3.44Å; G215-Q220 PolarHBondContact O-N 3.26Å; G215-Y242 WeakPolarHBondContact O-CD2 3.13Å; G215-Y242 VanDerWaalsContact O-CG 3.27Å |
| 216 | V | 95.8 | Very high | 96.5 | Very high | 91 Ų | 91 | 36.5 Ų | 36.5 | 55% | 0.552 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -75.3 | -46.8 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | Y213 M214 Q219 Y242 | Y213-V216 PolarHBondContact O-N 2.85Å; Y213-V216 VanDerWaalsContact O-N 3.12Å; M214-V216 PolarHBondContact O-N 2.89Å; V216-Q219 WeakPolarHBondContact O-CG 3.44Å; V216-Q219 PolarHBondContact O-N 2.74Å; V216-Y242 HydrophobicContact CG2-CD2 4.46Å |
| 217 | L | 96.9 | Very high | 96.2 | Very high | 80 Ų | 80 | 33.1 Ų | 33.1 | 42% | 0.419 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 179.2 | 177.8 | 67.6 | 0 | 0 | 0 | 111.5 | T197 V199 Y213 M214 Q219 | T197-L217 HydrophobicContact CG2-CD2 3.89Å; V199-L217 HydrophobicContact CG2-CD2 3.57Å; Y213-L217 HydrophobicContact CD1-CB 4.47Å; Y213-L217 HydrophobicContact CD1-CD2 4.34Å; Y213-L217 HydrophobicContact CE1-CD2 3.94Å; Y213-L217 WeakPolarHBondContact O-CB 3.48Å; Y213-L217 PolarHBondContact O-N 3.42Å; M214-L217 HydrophobicContact CE-CD2 4.26Å; M214-L217 PolarHBondContact O-N 3.47Å; M214-L217 HydrophobicContact SD-CD2 4.38Å; L217-Q219 VanDerWaalsContact C-N 3.29Å |
| 218 | L | 97.5 | Very high | 95.1 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.5 | -178.9 | -61.9 | 169.5 | 0 | 0 | 0 | 112.8 | M214 Q220 L222 V280 | M214-L218 HydrophobicContact CB-CD1 4.35Å; M214-L218 HydrophobicContact CE-CD1 3.87Å; M214-L218 HydrophobicContact CE-CG 4.15Å; M214-L218 VanDerWaalsContact O-CB 3.29Å; M214-L218 WeakPolarHBondContact O-CB 3.41Å; M214-L218 VanDerWaalsContact O-CG 3.31Å; M214-L218 WeakPolarHBondContact O-CG 3.33Å; M214-L218 PolarHBondContact O-N 3.19Å; L218-Q220 VanDerWaalsContact C-N 3.28Å; L218-Q220 HydrophobicContact CB-CB 4.32Å; L218-Q220 WeakPolarHBondContact O-CG 3.34Å; L218-Q220 PolarHBondContact O-N 3.12Å; L218-L222 HydrophobicContact CD1-CD1 4.48Å; L218-L222 HydrophobicContact CD1-CD2 4.27Å; L218-V280 HydrophobicContact CD1-CG2 3.82Å; L218-V280 HydrophobicContact CD2-CG1 4.23Å; L218-V280 HydrophobicContact CD2-CG2 4.47Å |
| 219 | Q | 97 | Very high | 94 | Very high | 135 Ų | 135 | 35.5 Ų | 35.5 | 63% | 0.631 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 40.9 | -173.3 | -60.8 | -171 | -17.2 | 0 | 0 | 113.5 | G215 V216 L217 Y242 | G215-Q219 CarbonylContact O-C 3.54Å; G215-Q219 VanDerWaalsContact O-CA 3.31Å; G215-Q219 WeakPolarHBondContact O-CA 3.22Å; G215-Q219 PolarHBondContact O-N 3.04Å; V216-Q219 WeakPolarHBondContact O-CG 3.44Å; V216-Q219 PolarHBondContact O-N 2.74Å; L217-Q219 VanDerWaalsContact C-N 3.29Å; Q219-Y242 VanDerWaalsContact C-CD1 3.41Å; Q219-Y242 HydrophobicContact CB-CE1 4.11Å; Q219-Y242 HydrophobicContact CB-CE2 4.26Å; Q219-Y242 VanDerWaalsContact CB-OH 3.31Å; Q219-Y242 WeakPolarHBondContact CB-OH 3.13Å; Q219-Y242 HydrophobicContact CG-CE2 4.42Å; Q219-Y242 WeakPolarHBondContact O-CE1 3.46Å |
| 220 | Q | 97.3 | Very high | 93 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -142.4 | 143.7 | -171.6 | -74.1 | 168.5 | 18.1 | 0 | 0 | 112.2 | G215 L218 S272 T278 | G215-Q220 VanDerWaalsContact CA-O 3.31Å; G215-Q220 WeakPolarHBondContact CA-O 3.44Å; G215-Q220 PolarHBondContact O-N 3.26Å; L218-Q220 VanDerWaalsContact C-N 3.28Å; L218-Q220 HydrophobicContact CB-CB 4.32Å; L218-Q220 WeakPolarHBondContact O-CG 3.34Å; L218-Q220 PolarHBondContact O-N 3.12Å; Q220-S272 PolarHBondContact OE1-OG 3.11Å; Q220-T278 PolarHBondContact NE2-O 3.28Å; Q220-T278 PolarHBondContact NE2-OG1 2.62Å; Q220-T278 VanDerWaalsContact NE2-OG1 3.17Å |
| 221 | S | 98.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 12% | 0.119 | 24% | 0.244 | C | C | . | . | trans | -73.4 | 141.5 | 163.8 | -61.6 | 0 | 0 | 0 | 0 | 109.6 | K243 K273 | S221-K243 CarbonylContact C-O 3.54Å; S221-K243 WeakPolarHBondContact CA-O 3.44Å; S221-K243 WeakPolarHBondContact CB-O 3.15Å; S221-K243 PolarHBondContact OG-N 2.96Å; S221-K273 WeakPolarHBondContact O-CB 2.96Å; S221-K273 PolarHBondContact O-N 2.97Å | ||
| 222 | L | 98.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.3 | -174.8 | -59 | 176.6 | 0 | 0 | 0 | 111.2 | M214 L218 V224 K243 V244 E245 V271 | M214-L222 HydrophobicContact CB-CD1 4Å; L218-L222 HydrophobicContact CD1-CD1 4.48Å; L218-L222 HydrophobicContact CD1-CD2 4.27Å; L222-V224 HydrophobicContact CB-CG2 4.46Å; L222-K243 PolarHBondContact N-O 2.98Å; L222-V244 HydrophobicContact CB-CG1 4.47Å; L222-V244 HydrophobicContact CB-CG2 4.47Å; L222-V244 CarbonylContact O-C 3.56Å; L222-V244 WeakPolarHBondContact O-CA 3.2Å; L222-E245 PolarHBondContact O-N 3.4Å; L222-V271 CarbonylContact C-O 3.49Å; L222-V271 WeakPolarHBondContact CA-O 3.33Å |
| 223 | I | 98.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.8 | 163 | -56.3 | 162 | 0 | 0 | 0 | 107.4 | E245 V247 A270 V271 K273 A315 I320 | I223-E245 CarbonylContact C-O 3.51Å; I223-E245 VanDerWaalsContact CA-O 3.29Å; I223-E245 WeakPolarHBondContact CA-O 3.04Å; I223-V247 HydrophobicContact CG2-CG2 3.71Å; I223-A270 CarbonylContact O-C 3.45Å; I223-A270 VanDerWaalsContact O-CA 3.26Å; I223-A270 WeakPolarHBondContact O-CA 3.4Å; I223-V271 HydrophobicContact CB-CG1 4Å; I223-V271 PolarHBondContact N-O 2.88Å; I223-V271 PolarHBondContact O-N 3.09Å; I223-K273 HydrophobicContact CD1-CB 4.31Å; I223-K273 HydrophobicContact CD1-CG 4.2Å; I223-K273 HydrophobicContact CG1-CB 4.17Å; I223-K273 HydrophobicContact CG1-CG 4.34Å; I223-A315 HydrophobicContact CB-CB 4.46Å; I223-A315 HydrophobicContact CG2-CB 3.78Å; I223-I320 HydrophobicContact CD1-CD1 3.85Å; I223-I320 HydrophobicContact CG1-CD1 4.33Å; I223-I320 HydrophobicContact CG2-CD1 3.92Å; I223-I320 HydrophobicContact CG2-CG1 4.27Å |
| 224 | V | 97.7 | Very high | 91 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.8 | -172.8 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | Y210 L222 V244 E245 V247 A270 R288 | Y210-V224 HydrophobicContact CD1-CG1 4.32Å; Y210-V224 HydrophobicContact CD1-CG2 3.85Å; Y210-V224 HydrophobicContact CE1-CG1 3.94Å; Y210-V224 HydrophobicContact CE1-CG2 4.24Å; Y210-V224 HydrophobicContact CE2-CG1 4.44Å; Y210-V224 HydrophobicContact CG-CG2 4.23Å; L222-V224 HydrophobicContact CB-CG2 4.46Å; V224-V244 HydrophobicContact CG2-CG1 3.46Å; V224-V244 VanDerWaalsContact CG2-CG1 3.46Å; V224-E245 PolarHBondContact N-O 2.9Å; V224-V247 PolarHBondContact O-N 2.85Å; V224-A270 HydrophobicContact CG2-CB 3.95Å; V224-R288 HydrophobicContact CG1-CG 4.12Å |
| 225 | W | 96.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.3 | 162.6 | 177.8 | -117 | 0 | 0 | 0 | 108.3 | V247 I253 R262 D265 N268 W269 | W225-V247 HydrophobicContact CE3-CB 3.77Å; W225-V247 HydrophobicContact CE3-CG1 3.52Å; W225-V247 HydrophobicContact CZ3-CB 4.39Å; W225-V247 HydrophobicContact CZ3-CG1 3.72Å; W225-I253 HydrophobicContact CD2-CD1 4.39Å; W225-I253 HydrophobicContact CD2-CG2 4.17Å; W225-I253 HydrophobicContact CE3-CG2 4.03Å; W225-I253 HydrophobicContact CH2-CG1 4.5Å; W225-I253 HydrophobicContact CH2-CG2 3.88Å; W225-I253 HydrophobicContact CZ2-CD1 3.96Å; W225-I253 HydrophobicContact CZ2-CG1 3.99Å; W225-I253 HydrophobicContact CZ2-CG2 4.06Å; W225-I253 HydrophobicContact CZ3-CG2 3.89Å; W225-R262 HydrophobicContact CH2-CB 3.65Å; W225-R262 HydrophobicContact CH2-CG 4.21Å; W225-R262 HydrophobicContact CZ2-CB 3.97Å; W225-R262 HydrophobicContact CZ2-CG 4.37Å; W225-R262 HydrophobicContact CZ3-CB 4.49Å; W225-D265 PolarHBondContact NE1-OD2 3.09Å; W225-N268 CarbonylContact O-C 3.56Å; W225-N268 VanDerWaalsContact O-CA 3.27Å; W225-N268 WeakPolarHBondContact O-CA 2.91Å; W225-W269 HydrophobicContact CB-CD2 3.65Å; W225-W269 HydrophobicContact CB-CE3 3.96Å; W225-W269 HydrophobicContact CB-CG 4.28Å; W225-W269 HydrophobicContact CB-CH2 3.77Å; W225-W269 HydrophobicContact CB-CZ2 3.45Å; W225-W269 VanDerWaalsContact CB-CZ2 3.45Å; W225-W269 HydrophobicContact CB-CZ3 4.02Å; W225-W269 AromaticContact CD1-CD1 3.7Å; W225-W269 AromaticContact CD1-CE2 3.54Å; W225-W269 AromaticContact CD1-CZ2 3.96Å; W225-W269 AromaticContact CD1-NE1 3.13Å; W225-W269 HydrophobicContact CG-CD2 4.36Å; W225-W269 AromaticContact CG-CE2 3.69Å; W225-W269 HydrophobicContact CG-CH2 4.5Å; W225-W269 AromaticContact CG-CZ2 3.77Å; W225-W269 HydrophobicContact CG-CZ2 3.77Å; W225-W269 AromaticContact CG-NE1 3.78Å; W225-W269 PolarHBondContact N-O 2.76Å; W225-W269 AromaticContact NE1-NE1 3.95Å; W225-W269 PolarHBondContact O-N 3.5Å; W225-W269 VanDerWaalsContact O-O 3.13Å |
| 226 | S | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -143.2 | 154.1 | -177.8 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | Q228 N268 I287 R288 | S226-Q228 PolarHBondContact O-N 2.89Å; S226-N268 WeakPolarHBondContact CA-OD1 3.48Å; S226-N268 WeakPolarHBondContact CB-OD1 3.49Å; S226-N268 PolarHBondContact OG-OD1 3.34Å; S226-I287 WeakPolarHBondContact OG-CA 3.48Å; S226-R288 PolarHBondContact OG-N 3.47Å | ||
| 227 | D | 87.8 | Confident | 90.7 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 27% | 0.267 | 25% | 0.248 | S | C | . | . | trans | -56.7 | 128.7 | 169.1 | -176.1 | 14 | 0 | 0 | 0 | 110 | S229 N268 I287 | D227-S229 WeakPolarHBondContact OD1-CB 3.33Å; D227-S229 PolarHBondContact OD1-N 3.48Å; D227-S229 PolarHBondContact OD1-OG 3.15Å; D227-S229 PolarHBondContact OD2-OG 3.07Å; D227-N268 PolarHBondContact N-OD1 3.28Å; D227-I287 HydrophobicContact CB-CD1 4.33Å; D227-I287 HydrophobicContact CB-CG2 3.96Å; D227-I287 WeakPolarHBondContact O-CG2 3.46Å | ||
| 228 | Q | 71.8 | Confident | 90.7 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | trans | -133.7 | 34.7 | 174 | -53.7 | -179.2 | 25.8 | 0 | 0 | 110.4 | S226 S230 K233 P249 | S226-Q228 PolarHBondContact O-N 2.89Å; Q228-S230 PolarHBondContact O-N 2.87Å; Q228-K233 HydrophobicContact CB-CD 3.84Å; Q228-K233 HydrophobicContact CB-CG 4.04Å; Q228-K233 WeakPolarHBondContact O-CE 3.42Å; Q228-K233 PolarHBondContact O-NZ 2.83Å; Q228-P249 HydrophobicContact CB-CB 3.85Å; Q228-P249 HydrophobicContact CB-CG 4.12Å; Q228-P249 HydrophobicContact CG-CB 4.32Å | ||
| 229 | S | 72.1 | Confident | 90.3 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 69% | 0.692 | 27% | 0.271 | S | S | * | . | trans | -59.2 | -29.4 | 174.6 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | D227 | D227-S229 WeakPolarHBondContact OD1-CB 3.33Å; D227-S229 PolarHBondContact OD1-N 3.48Å; D227-S229 PolarHBondContact OD1-OG 3.15Å; D227-S229 PolarHBondContact OD2-OG 3.07Å | ||
| 230 | S | 74.6 | Confident | 90 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -71.3 | 145.2 | 176.5 | 131.8 | 0 | 0 | 0 | 0 | 112.6 | Q228 A232 K233 | Q228-S230 PolarHBondContact O-N 2.87Å; S230-A232 PolarHBondContact O-N 3.31Å; S230-A232 PolarHBondContact OG-N 2.95Å; S230-A232 VanDerWaalsContact OG-N 3.09Å; S230-K233 WeakPolarHBondContact O-CE 3.47Å; S230-K233 WeakPolarHBondContact O-CG 3.42Å |
| 231 | K | 72.5 | Confident | 89.9 | Confident | 215 Ų | 215 | 51.9 Ų | 51.9 | 94% | 0.935 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -65.4 | -25.3 | 174.6 | -65.6 | -171.1 | 179.8 | -176.8 | 0 | 112.7 | K233 | K231-K233 VanDerWaalsContact C-N 3.35Å; K231-K233 PolarHBondContact O-N 3.31Å |
| 232 | A | 87.1 | Confident | 89.8 | Confident | 41 Ų | 41 | 53 Ų | 53 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -95.1 | 56.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S230 T289 K290 | S230-A232 PolarHBondContact O-N 3.31Å; S230-A232 PolarHBondContact OG-N 2.95Å; S230-A232 VanDerWaalsContact OG-N 3.09Å; A232-T289 WeakPolarHBondContact O-CB 3.31Å; A232-K290 HydrophobicContact CB-CB 4.19Å; A232-K290 HydrophobicContact CB-CD 4.24Å; A232-K290 HydrophobicContact CB-CG 4.38Å; A232-K290 PolarHBondContact O-N 2.57Å |
| 233 | K | 88.8 | Confident | 89.8 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -66.3 | 150.4 | -179.5 | -49.8 | 178.5 | -170.9 | -146 | 0 | 111.1 | Q228 S230 K231 | Q228-K233 HydrophobicContact CB-CD 3.84Å; Q228-K233 HydrophobicContact CB-CG 4.04Å; Q228-K233 WeakPolarHBondContact O-CE 3.42Å; Q228-K233 PolarHBondContact O-NZ 2.83Å; S230-K233 WeakPolarHBondContact O-CE 3.47Å; S230-K233 WeakPolarHBondContact O-CG 3.42Å; K231-K233 VanDerWaalsContact C-N 3.35Å; K231-K233 PolarHBondContact O-N 3.31Å |
| 234 | L | 93 | Very high | 89.8 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.131 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 123.7 | 166.4 | -68.9 | 172.9 | 0 | 0 | 0 | 108.5 | D208 N246 R288 K290 | D208-L234 HydrophobicContact CB-CD1 3.89Å; L234-N246 PolarHBondContact O-ND2 2.83Å; L234-R288 PolarHBondContact N-O 3.04Å; L234-R288 VanDerWaalsContact N-O 3.14Å; L234-K290 HydrophobicContact CD2-CG 3.88Å |
| 235 | P | 93.1 | Very high | 89.7 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 168.6 | 173.1 | 31.5 | -35.9 | 0 | 0 | 0 | 110.1 | S237 E321 | P235-S237 PolarHBondContact O-N 2.87Å; P235-E321 WeakPolarHBondContact CB-OE1 3.34Å |
| 236 | S | 95.7 | Very high | 89.7 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 134.1 | 172.6 | -68.4 | 0 | 0 | 0 | 0 | 110.5 | C238 V244 E245 N246 E321 | S236-C238 PolarHBondContact O-N 2.86Å; S236-V244 CarbonylContact C-O 3.47Å; S236-V244 VanDerWaalsContact CA-O 3.27Å; S236-V244 WeakPolarHBondContact CA-O 3.13Å; S236-E245 WeakPolarHBondContact OG-CA 3.29Å; S236-N246 PolarHBondContact N-ND2 2.92Å; S236-N246 PolarHBondContact OG-N 2.99Å; S236-E321 WeakPolarHBondContact CB-O 3.4Å; S236-E321 WeakPolarHBondContact CB-OE2 2.99Å; S236-E321 VanDerWaalsContact N-CD 3.31Å; S236-E321 PolarHBondContact N-OE1 3.01Å; S236-E321 PolarHBondContact N-OE2 3.22Å; S236-E321 WeakPolarHBondContact OG-CB 3.26Å; S236-E321 PolarHBondContact OG-O 3.18Å; S236-E321 PolarHBondContact OG-OE2 3.08Å |
| 237 | S | 95.7 | Very high | 89.7 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -87.1 | 100 | -179.3 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | P235 K243 V244 | P235-S237 PolarHBondContact O-N 2.87Å; S237-K243 WeakPolarHBondContact O-CA 3.14Å; S237-V244 PolarHBondContact N-O 3.25Å; S237-V244 PolarHBondContact O-N 3.12Å |
| 238 | C | 95.8 | Very high | 89.9 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -102.1 | 7.1 | -173.5 | -56 | 0 | 0 | 0 | 0 | 114.1 | S236 C323 | S236-C238 PolarHBondContact O-N 2.86Å; C238-C323 WeakPolarHBondContact CA-SG 3.39Å; C238-C323 HydrophobicContact CB-CB 3.55Å; C238-C323 WeakPolarHBondContact CB-SG 3.36Å; C238-C323 WeakPolarHBondContact SG-CA 3.04Å; C238-C323 WeakPolarHBondContact SG-CB 3.3Å; C238-C323 CovalentContact SG-SG 2.03Å; C238-C323 PolarHBondContact SG-SG 2.84Å | ||
| 239 | T | 90.9 | Very high | 90.1 | Very high | 104 Ų | 104 | 58.2 Ų | 58.2 | 64% | 0.638 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -103 | 141.8 | -178.9 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 240 | G | 90 | Very high | 90.7 | Very high | 67 Ų | 67 | 58 Ų | 58 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 89.5 | -178.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 241 | K | 94.7 | Very high | 91.4 | Very high | 165 Ų | 165 | 58.2 Ų | 58.2 | 72% | 0.717 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -68.2 | -41.8 | -174.4 | -175.7 | 177.7 | 177.2 | -169.1 | 0 | 112.9 | ||
| 242 | Y | 97.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -109.1 | 116.5 | -176.5 | -54 | -59.6 | 0 | 0 | 0 | 109.5 | G215 V216 Q219 | G215-Y242 WeakPolarHBondContact O-CD2 3.13Å; G215-Y242 VanDerWaalsContact O-CG 3.27Å; V216-Y242 HydrophobicContact CG2-CD2 4.46Å; Q219-Y242 VanDerWaalsContact C-CD1 3.41Å; Q219-Y242 HydrophobicContact CB-CE1 4.11Å; Q219-Y242 HydrophobicContact CB-CE2 4.26Å; Q219-Y242 VanDerWaalsContact CB-OH 3.31Å; Q219-Y242 WeakPolarHBondContact CB-OH 3.13Å; Q219-Y242 HydrophobicContact CG-CE2 4.42Å; Q219-Y242 WeakPolarHBondContact O-CE1 3.46Å |
| 243 | K | 97.4 | Very high | 92.8 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | trans | -89.7 | 151.5 | -176.1 | -62 | 177.5 | 176.6 | -178.3 | 0 | 110.4 | S221 L222 S237 C323 L324 | S221-K243 CarbonylContact C-O 3.54Å; S221-K243 WeakPolarHBondContact CA-O 3.44Å; S221-K243 WeakPolarHBondContact CB-O 3.15Å; S221-K243 PolarHBondContact OG-N 2.96Å; L222-K243 PolarHBondContact N-O 2.98Å; S237-K243 WeakPolarHBondContact O-CA 3.14Å; K243-C323 HydrophobicContact CD-CB 3.76Å; K243-L324 PolarHBondContact NZ-O 3.3Å | ||
| 244 | V | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 104.1 | 172.3 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | L222 V224 S236 S237 R288 | L222-V244 HydrophobicContact CB-CG1 4.47Å; L222-V244 HydrophobicContact CB-CG2 4.47Å; L222-V244 CarbonylContact O-C 3.56Å; L222-V244 WeakPolarHBondContact O-CA 3.2Å; V224-V244 HydrophobicContact CG2-CG1 3.46Å; V224-V244 VanDerWaalsContact CG2-CG1 3.46Å; S236-V244 CarbonylContact C-O 3.47Å; S236-V244 VanDerWaalsContact CA-O 3.27Å; S236-V244 WeakPolarHBondContact CA-O 3.13Å; S237-V244 PolarHBondContact N-O 3.25Å; S237-V244 PolarHBondContact O-N 3.12Å; V244-R288 VanDerWaalsContact CG1-NH1 3.26Å; V244-R288 PolarHBondContact O-NH1 3.06Å |
| 245 | E | 97.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 139.8 | -177 | -64.6 | 177.8 | 155.7 | 0 | 0 | 110.8 | L222 I223 V224 S236 K273 I320 C323 | L222-E245 PolarHBondContact O-N 3.4Å; I223-E245 CarbonylContact C-O 3.51Å; I223-E245 VanDerWaalsContact CA-O 3.29Å; I223-E245 WeakPolarHBondContact CA-O 3.04Å; V224-E245 PolarHBondContact N-O 2.9Å; S236-E245 WeakPolarHBondContact OG-CA 3.29Å; E245-K273 IonicContact OE1-NZ 2.76Å; E245-K273 PolarHBondContact OE1-NZ 3.38Å; E245-K273 WeakPolarHBondContact OE2-CD 3.15Å; E245-K273 WeakPolarHBondContact OE2-CE 3.27Å; E245-K273 IonicContact OE2-NZ 2.7Å; E245-K273 PolarHBondContact OE2-NZ 2.79Å; E245-I320 HydrophobicContact CB-CG2 3.73Å; E245-C323 HydrophobicContact CG-CB 4.38Å; E245-C323 WeakPolarHBondContact OE1-CB 3.35Å; E245-C323 PolarHBondContact OE1-N 3.2Å |
| 246 | N | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.7 | 178.9 | -65.8 | -44.4 | 0 | 0 | 0 | 110.3 | L234 S236 K248 R288 I320 E321 | L234-N246 PolarHBondContact O-ND2 2.83Å; S236-N246 PolarHBondContact N-ND2 2.92Å; S236-N246 PolarHBondContact OG-N 2.99Å; N246-K248 PolarHBondContact O-N 3.41Å; N246-R288 WeakPolarHBondContact OD1-CD 3.18Å; N246-R288 PolarHBondContact OD1-NH1 3.27Å; N246-I320 CarbonylContact O-C 3.56Å; N246-I320 WeakPolarHBondContact O-CA 3.13Å; N246-I320 WeakPolarHBondContact O-CG2 3.46Å; N246-E321 HydrophobicContact CB-CB 4.39Å; N246-E321 PolarHBondContact ND2-OE2 3.1Å; N246-E321 PolarHBondContact O-N 3.19Å |
| 247 | V | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 132 | 155.7 | 179 | 0 | 0 | 0 | 0 | 107.5 | I223 V224 W225 I253 A315 A318 I320 | I223-V247 HydrophobicContact CG2-CG2 3.71Å; V224-V247 PolarHBondContact O-N 2.85Å; W225-V247 HydrophobicContact CE3-CB 3.77Å; W225-V247 HydrophobicContact CE3-CG1 3.52Å; W225-V247 HydrophobicContact CZ3-CB 4.39Å; W225-V247 HydrophobicContact CZ3-CG1 3.72Å; V247-I253 HydrophobicContact CG1-CG2 4.34Å; V247-A315 HydrophobicContact CG2-CB 3.93Å; V247-A318 HydrophobicContact CG1-CB 3.78Å; V247-I320 HydrophobicContact CG2-CG1 4.41Å |
| 248 | K | 91.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 49.2 Ų | 49.2 | 35% | 0.348 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -66 | 134.5 | -175.7 | -68.2 | -174.9 | -167.2 | 171.2 | 0 | 110 | N246 A250 Q251 E319 E321 | N246-K248 PolarHBondContact O-N 3.41Å; K248-A250 VanDerWaalsContact C-N 3.31Å; K248-A250 PolarHBondContact O-N 3.33Å; K248-Q251 HydrophobicContact CB-CG 3.78Å; K248-Q251 VanDerWaalsContact O-CB 3.26Å; K248-Q251 WeakPolarHBondContact O-CB 3.3Å; K248-Q251 VanDerWaalsContact O-CG 3.32Å; K248-Q251 WeakPolarHBondContact O-CG 3.31Å; K248-Q251 PolarHBondContact O-N 2.86Å; K248-Q251 VanDerWaalsContact O-N 3.13Å; K248-E319 HydrophobicContact CB-CB 4.43Å; K248-E319 WeakPolarHBondContact CB-O 3.31Å; K248-E319 HydrophobicContact CD-CB 3.78Å; K248-E319 WeakPolarHBondContact CD-OE2 3.48Å; K248-E319 WeakPolarHBondContact CE-OE2 3.47Å; K248-E319 HydrophobicContact CG-CB 4.25Å; K248-E319 WeakPolarHBondContact CG-O 3.25Å; K248-E319 PolarHBondContact N-O 3.26Å; K248-E319 IonicContact NZ-OE2 3.39Å; K248-E319 PolarHBondContact NZ-OE2 3.31Å; K248-E321 HydrophobicContact CG-CB 4.39Å |
| 249 | P | 76.2 | Confident | 93.7 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17.7 | -169.5 | 27.9 | -36.5 | 0 | 0 | 0 | 115.2 | Q228 Q251 R262 | Q228-P249 HydrophobicContact CB-CB 3.85Å; Q228-P249 HydrophobicContact CB-CG 4.12Å; Q228-P249 HydrophobicContact CG-CB 4.32Å; P249-Q251 PolarHBondContact O-N 3.25Å; P249-R262 WeakPolarHBondContact O-CB 3.49Å |
| 250 | A | 84.8 | Confident | 94 | Very high | 95 Ų | 95 | 44.7 Ų | 44.7 | 79% | 0.785 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K248 | K248-A250 VanDerWaalsContact C-N 3.31Å; K248-A250 PolarHBondContact O-N 3.33Å |
| 251 | Q | 87.8 | Confident | 94.2 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 152.2 | -174.4 | -62.2 | -66.7 | -41.3 | 0 | 0 | 111.7 | K248 P249 A318 E319 | K248-Q251 HydrophobicContact CB-CG 3.78Å; K248-Q251 VanDerWaalsContact O-CB 3.26Å; K248-Q251 WeakPolarHBondContact O-CB 3.3Å; K248-Q251 VanDerWaalsContact O-CG 3.32Å; K248-Q251 WeakPolarHBondContact O-CG 3.31Å; K248-Q251 PolarHBondContact O-N 2.86Å; K248-Q251 VanDerWaalsContact O-N 3.13Å; P249-Q251 PolarHBondContact O-N 3.25Å; Q251-A318 HydrophobicContact CB-CB 4.11Å; Q251-E319 HydrophobicContact CG-CB 3.81Å; Q251-E319 HydrophobicContact CG-CG 4.41Å; Q251-E319 PolarHBondContact NE2-OE1 3.2Å; Q251-E319 PolarHBondContact NE2-OE2 2.53Å |
| 252 | T | 94.3 | Very high | 94.1 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 36% | 0.356 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.7 | 164.6 | -60.6 | 0 | 0 | 0 | 0 | 106.9 | A259 I260 | T252-A259 HydrophobicContact CG2-CB 3.78Å; T252-I260 WeakPolarHBondContact CA-O 3.47Å |
| 253 | I | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 151.2 | 170.4 | 60.5 | 167 | 0 | 0 | 0 | 108.8 | Y10 W225 V247 V255 A259 I260 W269 I314 A318 | Y10-I253 WeakPolarHBondContact OH-CD1 3.4Å; W225-I253 HydrophobicContact CD2-CD1 4.39Å; W225-I253 HydrophobicContact CD2-CG2 4.17Å; W225-I253 HydrophobicContact CE3-CG2 4.03Å; W225-I253 HydrophobicContact CH2-CG1 4.5Å; W225-I253 HydrophobicContact CH2-CG2 3.88Å; W225-I253 HydrophobicContact CZ2-CD1 3.96Å; W225-I253 HydrophobicContact CZ2-CG1 3.99Å; W225-I253 HydrophobicContact CZ2-CG2 4.06Å; W225-I253 HydrophobicContact CZ3-CG2 3.89Å; V247-I253 HydrophobicContact CG1-CG2 4.34Å; I253-V255 HydrophobicContact CD1-CG2 3.84Å; I253-V255 HydrophobicContact CG1-CG2 4.31Å; I253-A259 WeakPolarHBondContact O-CA 3.4Å; I253-I260 HydrophobicContact CG1-CB 4.09Å; I253-I260 PolarHBondContact N-O 2.94Å; I253-I260 PolarHBondContact O-N 3.11Å; I253-W269 HydrophobicContact CD1-CZ2 4.28Å; I253-I314 HydrophobicContact CB-CG2 3.77Å; I253-I314 HydrophobicContact CD1-CG2 4.18Å; I253-I314 HydrophobicContact CG1-CG2 4.47Å; I253-I314 HydrophobicContact CG2-CG2 4.24Å; I253-A318 HydrophobicContact CG2-CB 4.1Å |
| 254 | T | 97.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 39% | 0.387 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 105.8 | 173.4 | -58.7 | 0 | 0 | 0 | 0 | 109 | V258 I314 | T254-V258 CarbonylContact C-O 3.58Å; T254-V258 WeakPolarHBondContact CA-O 3.28Å; T254-I314 WeakPolarHBondContact O-CG1 3.37Å |
| 255 | V | 97.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 99.1 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | Y10 R19 W29 I253 S257 V258 I260 I314 | Y10-V255 HydrophobicContact CD1-CG1 4.44Å; Y10-V255 HydrophobicContact CD1-CG2 4.26Å; Y10-V255 HydrophobicContact CD2-CB 4.5Å; Y10-V255 HydrophobicContact CD2-CG1 3.8Å; Y10-V255 HydrophobicContact CD2-CG2 3.96Å; Y10-V255 HydrophobicContact CE1-CG2 4.14Å; Y10-V255 HydrophobicContact CE2-CG1 4.48Å; Y10-V255 HydrophobicContact CE2-CG2 3.81Å; Y10-V255 HydrophobicContact CG-CB 4.43Å; Y10-V255 HydrophobicContact CG-CG1 3.77Å; Y10-V255 HydrophobicContact CG-CG2 4.17Å; R19-V255 HydrophobicContact CB-CG1 4.45Å; W29-V255 HydrophobicContact CH2-CG1 3.46Å; W29-V255 VanDerWaalsContact CH2-CG1 3.46Å; W29-V255 HydrophobicContact CZ2-CG1 3.85Å; W29-V255 HydrophobicContact CZ3-CG1 4.04Å; I253-V255 HydrophobicContact CD1-CG2 3.84Å; I253-V255 HydrophobicContact CG1-CG2 4.31Å; V255-S257 PolarHBondContact O-N 3.46Å; V255-V258 PolarHBondContact N-O 2.85Å; V255-V258 VanDerWaalsContact O-CB 3.31Å; V255-V258 WeakPolarHBondContact O-CB 3.19Å; V255-V258 PolarHBondContact O-N 2.85Å; V255-I260 HydrophobicContact CB-CD1 4.11Å; V255-I260 HydrophobicContact CG2-CD1 3.82Å; V255-I314 HydrophobicContact CB-CD1 4.37Å; V255-I314 HydrophobicContact CG1-CD1 4.17Å; V255-I314 HydrophobicContact CG2-CD1 4.13Å; V255-I314 HydrophobicContact CG2-CG2 4.44Å |
| 256 | D | 95.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 59.6 | 172.6 | -170.6 | 24.7 | 0 | 0 | 0 | 113.4 | R19 W29 V258 | R19-D256 HydrophobicContact CB-CB 4.14Å; R19-D256 HydrophobicContact CG-CB 4.12Å; R19-D256 IonicContact CZ-OD2 3.44Å; R19-D256 PolarHBondContact NE-O 2.88Å; R19-D256 IonicContact NE-OD2 2.84Å; R19-D256 PolarHBondContact NE-OD2 3.01Å; R19-D256 VanDerWaalsContact NH2-CG 3.26Å; R19-D256 IonicContact NH2-OD1 2.61Å; R19-D256 PolarHBondContact NH2-OD1 2.91Å; R19-D256 IonicContact NH2-OD2 2.89Å; R19-D256 PolarHBondContact NH2-OD2 3.34Å; W29-D256 HydrophobicContact CB-CB 4.27Å; W29-D256 VanDerWaalsContact CB-CG 3.43Å; W29-D256 WeakPolarHBondContact CB-OD2 3.16Å; W29-D256 HydrophobicContact CD2-CB 3.5Å; W29-D256 HydrophobicContact CE3-CB 3.92Å; W29-D256 HydrophobicContact CG-CB 3.64Å; W29-D256 VanDerWaalsContact CG-OD2 3.31Å; W29-D256 HydrophobicContact CZ2-CB 4.44Å; D256-V258 PolarHBondContact O-N 2.91Å |
| 257 | S | 95.2 | Very high | 93.6 | Very high | 113 Ų | 113 | 46.1 Ų | 46.1 | 79% | 0.79 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | -3.2 | -174.8 | -44.5 | 0 | 0 | 0 | 0 | 116.3 | V255 | V255-S257 PolarHBondContact O-N 3.46Š|
| 258 | V | 97.6 | Very high | 93.7 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.7 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | V12 R19 T254 V255 D256 I260 | V12-V258 HydrophobicContact CG1-CG1 4.15Å; V12-V258 HydrophobicContact CG2-CG2 4.32Å; R19-V258 HydrophobicContact CG-CG2 3.84Å; T254-V258 CarbonylContact C-O 3.58Å; T254-V258 WeakPolarHBondContact CA-O 3.28Å; V255-V258 PolarHBondContact N-O 2.85Å; V255-V258 VanDerWaalsContact O-CB 3.31Å; V255-V258 WeakPolarHBondContact O-CB 3.19Å; V255-V258 PolarHBondContact O-N 2.85Å; D256-V258 PolarHBondContact O-N 2.91Å; V258-I260 HydrophobicContact CG1-CD1 4.21Å; V258-I260 HydrophobicContact CG1-CG1 3.84Å |
| 259 | A | 97.1 | Very high | 94 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 54% | 0.537 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T252 I253 | T252-A259 HydrophobicContact CG2-CB 3.78Å; I253-A259 WeakPolarHBondContact O-CA 3.4Å |
| 260 | I | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121.6 | -175.4 | -56.7 | 177.6 | 0 | 0 | 0 | 109.4 | Y10 P13 A118 T252 I253 V255 V258 D265 | Y10-I260 HydrophobicContact CD1-CD1 3.84Å; Y10-I260 HydrophobicContact CE1-CD1 3.66Å; P13-I260 HydrophobicContact CG-CG1 4.09Å; P13-I260 HydrophobicContact CG-CG2 4.45Å; A118-I260 HydrophobicContact CB-CD1 3.96Å; A118-I260 HydrophobicContact CB-CG2 3.88Å; T252-I260 WeakPolarHBondContact CA-O 3.47Å; I253-I260 HydrophobicContact CG1-CB 4.09Å; I253-I260 PolarHBondContact N-O 2.94Å; I253-I260 PolarHBondContact O-N 3.11Å; V255-I260 HydrophobicContact CB-CD1 4.11Å; V255-I260 HydrophobicContact CG2-CD1 3.82Å; V258-I260 HydrophobicContact CG1-CD1 4.21Å; V258-I260 HydrophobicContact CG1-CG1 3.84Å; I260-D265 HydrophobicContact CG2-CB 3.66Å |
| 261 | K | 94.4 | Very high | 95.7 | Very high | 108 Ų | 108 | 36.6 Ų | 36.6 | 47% | 0.47 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 151.7 | 172.4 | -63.9 | 171.7 | -173.5 | 163.1 | 0 | 109.9 | S263 E264 | K261-S263 PolarHBondContact O-N 3.48Å; K261-S263 VanDerWaalsContact O-N 3.14Å; K261-E264 HydrophobicContact CB-CG 4.32Å; K261-E264 WeakPolarHBondContact CB-OE2 3.11Å; K261-E264 PolarHBondContact N-OE2 3.3Å; K261-E264 PolarHBondContact O-N 3.23Å |
| 262 | R | 92.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -53.3 | -38 | 175.2 | -174.6 | 64.5 | -77.4 | -176.8 | 1.3 | 113.2 | W225 P249 E264 D265 S267 | W225-R262 HydrophobicContact CH2-CB 3.65Å; W225-R262 HydrophobicContact CH2-CG 4.21Å; W225-R262 HydrophobicContact CZ2-CB 3.97Å; W225-R262 HydrophobicContact CZ2-CG 4.37Å; W225-R262 HydrophobicContact CZ3-CB 4.49Å; P249-R262 WeakPolarHBondContact O-CB 3.49Å; R262-E264 PolarHBondContact O-N 3.39Å; R262-D265 IonicContact CZ-OD2 3.18Å; R262-D265 PolarHBondContact NH2-O 3.48Å; R262-D265 IonicContact NH2-OD1 3.86Å; R262-D265 PolarHBondContact NH2-OD1 3.24Å; R262-D265 IonicContact NH2-OD2 2.96Å; R262-D265 PolarHBondContact NH2-OD2 3.43Å; R262-D265 PolarHBondContact O-N 2.88Å; R262-S267 VanDerWaalsContact CZ-O 3.31Å; R262-S267 PolarHBondContact NH1-O 2.88Å; R262-S267 PolarHBondContact NH2-O 3.13Å |
| 263 | S | 92.6 | Very high | 96.4 | Very high | 97 Ų | 97 | 34.8 Ų | 34.8 | 68% | 0.678 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -67.8 | -17.9 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | K261 | K261-S263 PolarHBondContact O-N 3.48Å; K261-S263 VanDerWaalsContact O-N 3.14Å |
| 264 | E | 94.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 40 Ų | 40 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -103.1 | 5.8 | -178.2 | -63.8 | 164.2 | 164.9 | 0 | 0 | 111.2 | N117 A118 K261 R262 | N117-E264 CarbonylContact C-O 3.57Å; N117-E264 WeakPolarHBondContact CA-O 3.5Å; N117-E264 VanDerWaalsContact CB-O 3.27Å; N117-E264 WeakPolarHBondContact CB-O 3.38Å; A118-E264 WeakPolarHBondContact CB-O 3.35Å; A118-E264 PolarHBondContact N-O 3.13Å; K261-E264 HydrophobicContact CB-CG 4.32Å; K261-E264 WeakPolarHBondContact CB-OE2 3.11Å; K261-E264 PolarHBondContact N-OE2 3.3Å; K261-E264 PolarHBondContact O-N 3.23Å; R262-E264 PolarHBondContact O-N 3.39Å |
| 265 | D | 95.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -130.3 | 127.3 | -171.4 | -177 | 0.7 | 0 | 0 | 0 | 110.5 | Y10 A118 W225 I260 R262 S267 | Y10-D265 PolarHBondContact OH-OD2 2.7Å; A118-D265 HydrophobicContact CB-CB 4.15Å; A118-D265 WeakPolarHBondContact O-CA 3.44Å; W225-D265 PolarHBondContact NE1-OD2 3.09Å; I260-D265 HydrophobicContact CG2-CB 3.66Å; R262-D265 IonicContact CZ-OD2 3.18Å; R262-D265 PolarHBondContact NH2-O 3.48Å; R262-D265 IonicContact NH2-OD1 3.86Å; R262-D265 PolarHBondContact NH2-OD1 3.24Å; R262-D265 IonicContact NH2-OD2 2.96Å; R262-D265 PolarHBondContact NH2-OD2 3.43Å; R262-D265 PolarHBondContact O-N 2.88Å; D265-S267 VanDerWaalsContact CG-OG 3.31Å; D265-S267 VanDerWaalsContact OD1-CB 3.29Å; D265-S267 WeakPolarHBondContact OD1-CB 3.39Å; D265-S267 PolarHBondContact OD1-N 2.91Å; D265-S267 PolarHBondContact OD1-OG 3.41Å; D265-S267 PolarHBondContact OD2-OG 3.23Å |
| 266 | T | 95.9 | Very high | 96.2 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | trans | -94.5 | -6.9 | 178.4 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | S98 N117 A118 | S98-T266 WeakPolarHBondContact CB-O 3.41Å; S98-T266 WeakPolarHBondContact CB-OG1 3.45Å; S98-T266 WeakPolarHBondContact O-CB 3.49Å; S98-T266 PolarHBondContact O-OG1 2.82Å; S98-T266 PolarHBondContact OG-OG1 3.49Å; N117-T266 HydrophobicContact CB-CG2 3.93Å; A118-T266 PolarHBondContact O-N 3.19Å; A118-T266 PolarHBondContact O-OG1 3.1Å | ||
| 267 | S | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -80.4 | 149 | -174.2 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | Y10 S98 R262 D265 | Y10-S267 PolarHBondContact OH-OG 3.02Å; S98-S267 WeakPolarHBondContact OG-CA 3.19Å; S98-S267 PolarHBondContact OG-N 3.1Å; R262-S267 VanDerWaalsContact CZ-O 3.31Å; R262-S267 PolarHBondContact NH1-O 2.88Å; R262-S267 PolarHBondContact NH2-O 3.13Å; D265-S267 VanDerWaalsContact CG-OG 3.31Å; D265-S267 VanDerWaalsContact OD1-CB 3.29Å; D265-S267 WeakPolarHBondContact OD1-CB 3.39Å; D265-S267 PolarHBondContact OD1-N 2.91Å; D265-S267 PolarHBondContact OD1-OG 3.41Å; D265-S267 PolarHBondContact OD2-OG 3.23Å | ||
| 268 | N | 97 | Very high | 96.2 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.053 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.3 | 160.4 | -45.6 | -98.9 | 0 | 0 | 0 | 108 | W225 S226 D227 S284 | W225-N268 CarbonylContact O-C 3.56Å; W225-N268 VanDerWaalsContact O-CA 3.27Å; W225-N268 WeakPolarHBondContact O-CA 2.91Å; S226-N268 WeakPolarHBondContact CA-OD1 3.48Å; S226-N268 WeakPolarHBondContact CB-OD1 3.49Å; S226-N268 PolarHBondContact OG-OD1 3.34Å; D227-N268 PolarHBondContact N-OD1 3.28Å; N268-S284 WeakPolarHBondContact CB-O 3.38Å; N268-S284 PolarHBondContact O-N 3.2Å; N268-S284 VanDerWaalsContact O-O 3.07Å |
| 269 | W | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.7 | 177.5 | 52.2 | -103.1 | 0 | 0 | 0 | 111 | Y10 W225 I253 V271 F281 C282 F311 I314 A315 | Y10-W269 AromaticContact CE2-NE1 3.66Å; Y10-W269 AromaticContact CZ-NE1 3.95Å; Y10-W269 PolarHBondContact OH-NE1 2.73Å; W225-W269 HydrophobicContact CB-CD2 3.65Å; W225-W269 HydrophobicContact CB-CE3 3.96Å; W225-W269 HydrophobicContact CB-CG 4.28Å; W225-W269 HydrophobicContact CB-CH2 3.77Å; W225-W269 HydrophobicContact CB-CZ2 3.45Å; W225-W269 VanDerWaalsContact CB-CZ2 3.45Å; W225-W269 HydrophobicContact CB-CZ3 4.02Å; W225-W269 AromaticContact CD1-CD1 3.7Å; W225-W269 AromaticContact CD1-CE2 3.54Å; W225-W269 AromaticContact CD1-CZ2 3.96Å; W225-W269 AromaticContact CD1-NE1 3.13Å; W225-W269 HydrophobicContact CG-CD2 4.36Å; W225-W269 AromaticContact CG-CE2 3.69Å; W225-W269 HydrophobicContact CG-CH2 4.5Å; W225-W269 AromaticContact CG-CZ2 3.77Å; W225-W269 HydrophobicContact CG-CZ2 3.77Å; W225-W269 AromaticContact CG-NE1 3.78Å; W225-W269 PolarHBondContact N-O 2.76Å; W225-W269 AromaticContact NE1-NE1 3.95Å; W225-W269 PolarHBondContact O-N 3.5Å; W225-W269 VanDerWaalsContact O-O 3.13Å; I253-W269 HydrophobicContact CD1-CZ2 4.28Å; W269-V271 HydrophobicContact CZ3-CB 4.49Å; W269-V271 HydrophobicContact CZ3-CG1 4.04Å; W269-F281 HydrophobicContact CB-CE2 3.76Å; W269-F281 HydrophobicContact CB-CZ 4.19Å; W269-F281 HydrophobicContact CD2-CE2 4.37Å; W269-F281 HydrophobicContact CG-CE2 4.08Å; W269-C282 CarbonylContact C-O 3.19Å; W269-C282 WeakPolarHBondContact CA-O 3.37Å; W269-C282 WeakPolarHBondContact CB-O 3.45Å; W269-F311 AromaticContact CD2-CD1 3.9Å; W269-F311 HydrophobicContact CD2-CD1 3.9Å; W269-F311 HydrophobicContact CD2-CE1 4.3Å; W269-F311 AromaticContact CE2-CD1 3.93Å; W269-F311 HydrophobicContact CE3-CD1 4.09Å; W269-F311 HydrophobicContact CG-CD1 4.39Å; W269-F311 HydrophobicContact CG-CE1 4.38Å; W269-F311 HydrophobicContact CH2-CD1 4.41Å; W269-F311 HydrophobicContact CZ2-CD1 4.21Å; W269-F311 HydrophobicContact CZ3-CD1 4.34Å; W269-I314 HydrophobicContact CH2-CB 4.49Å; W269-I314 HydrophobicContact CH2-CG2 4.19Å; W269-I314 HydrophobicContact CZ2-CG2 3.96Å; W269-A315 HydrophobicContact CH2-CB 3.93Å; W269-A315 HydrophobicContact CZ3-CB 4.14Å |
| 270 | A | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y210 I223 V224 C282 | Y210-A270 HydrophobicContact CD1-CB 4.06Å; Y210-A270 HydrophobicContact CE1-CB 3.88Å; I223-A270 CarbonylContact O-C 3.45Å; I223-A270 VanDerWaalsContact O-CA 3.26Å; I223-A270 WeakPolarHBondContact O-CA 3.4Å; V224-A270 HydrophobicContact CG2-CB 3.95Å; A270-C282 HydrophobicContact CB-CB 4.27Å; A270-C282 PolarHBondContact N-O 3.04Å; A270-C282 PolarHBondContact O-N 2.86Å |
| 271 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.4 | 179.1 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | L222 I223 W269 K273 V280 Q308 F311 N312 A315 | L222-V271 CarbonylContact C-O 3.49Å; L222-V271 WeakPolarHBondContact CA-O 3.33Å; I223-V271 HydrophobicContact CB-CG1 4Å; I223-V271 PolarHBondContact N-O 2.88Å; I223-V271 PolarHBondContact O-N 3.09Å; W269-V271 HydrophobicContact CZ3-CB 4.49Å; W269-V271 HydrophobicContact CZ3-CG1 4.04Å; V271-K273 PolarHBondContact O-N 2.79Å; V271-V280 WeakPolarHBondContact CA-O 3.37Å; V271-Q308 HydrophobicContact CG2-CB 4.29Å; V271-Q308 HydrophobicContact CG2-CG 3.63Å; V271-Q308 VanDerWaalsContact CG2-O 3.31Å; V271-Q308 WeakPolarHBondContact CG2-O 3.42Å; V271-F311 HydrophobicContact CB-CB 4.35Å; V271-F311 HydrophobicContact CG2-CB 4.08Å; V271-N312 HydrophobicContact CG1-CB 4.43Å; V271-N312 HydrophobicContact CG2-CB 4.04Å; V271-A315 HydrophobicContact CG1-CB 4.39Å |
| 272 | S | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 135.7 | 171.1 | -47.3 | 0 | 0 | 0 | 0 | 109.6 | Q220 D274 V280 Q308 N312 | Q220-S272 PolarHBondContact OE1-OG 3.11Å; S272-D274 WeakPolarHBondContact CB-O 3.39Å; S272-V280 PolarHBondContact N-O 3.16Å; S272-V280 WeakPolarHBondContact OG-CG2 3.37Å; S272-V280 PolarHBondContact OG-N 2.89Å; S272-V280 PolarHBondContact OG-O 2.94Å; S272-Q308 PolarHBondContact O-NE2 3.33Å; S272-N312 PolarHBondContact O-ND2 3.03Å |
| 273 | K | 97.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 34 Ų | 34 | 27% | 0.274 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -65.6 | -47.8 | 176.1 | 179.4 | 170.1 | -179.4 | 163.5 | 0 | 110.7 | S221 I223 E245 V271 N312 | S221-K273 WeakPolarHBondContact O-CB 2.96Å; S221-K273 PolarHBondContact O-N 2.97Å; I223-K273 HydrophobicContact CD1-CB 4.31Å; I223-K273 HydrophobicContact CD1-CG 4.2Å; I223-K273 HydrophobicContact CG1-CB 4.17Å; I223-K273 HydrophobicContact CG1-CG 4.34Å; E245-K273 IonicContact OE1-NZ 2.76Å; E245-K273 PolarHBondContact OE1-NZ 3.38Å; E245-K273 WeakPolarHBondContact OE2-CD 3.15Å; E245-K273 WeakPolarHBondContact OE2-CE 3.27Å; E245-K273 IonicContact OE2-NZ 2.7Å; E245-K273 PolarHBondContact OE2-NZ 2.79Å; V271-K273 PolarHBondContact O-N 2.79Å; K273-N312 PolarHBondContact O-ND2 2.97Å |
| 274 | D | 96.4 | Very high | 97.1 | Very high | 108 Ų | 108 | 29.8 Ų | 29.8 | 58% | 0.578 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -96 | 138.9 | -178.1 | -52.6 | -52.1 | 0 | 0 | 0 | 110.1 | S272 | S272-D274 WeakPolarHBondContact CB-O 3.39Š|
| 275 | A | 95.5 | Very high | 97.1 | Very high | 68 Ų | 68 | 27.7 Ų | 27.7 | 56% | 0.562 | 17% | 0.171 | S | C | * | . | trans | -72.5 | 154.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 276 | G | 94.5 | Very high | 97.1 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 26% | 0.258 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 166.4 | 171.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T278 A279 | G276-T278 PolarHBondContact O-N 3.34Å; G276-A279 WeakPolarHBondContact O-CB 3.26Å; G276-A279 PolarHBondContact O-N 3.33Å; G276-A279 VanDerWaalsContact O-N 3.08Å |
| 277 | T | 94 | Very high | 97 | Very high | 119 Ų | 119 | 26.2 Ų | 26.2 | 73% | 0.73 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.3 | -178.2 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | Q303 | T277-Q303 PolarHBondContact O-NE2 3.5Å; T277-Q303 VanDerWaalsContact O-NE2 3.12Å |
| 278 | T | 96.5 | Very high | 96.8 | Very high | 78 Ų | 78 | 26.3 Ų | 26.3 | 48% | 0.479 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -0.3 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | Q220 G276 V280 | Q220-T278 PolarHBondContact NE2-O 3.28Å; Q220-T278 PolarHBondContact NE2-OG1 2.62Å; Q220-T278 VanDerWaalsContact NE2-OG1 3.17Å; G276-T278 PolarHBondContact O-N 3.34Å; T278-V280 WeakPolarHBondContact O-CG1 3.45Å |
| 279 | A | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | trans | -65.9 | 144.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G276 Q304 Q308 | G276-A279 WeakPolarHBondContact O-CB 3.26Å; G276-A279 PolarHBondContact O-N 3.33Å; G276-A279 VanDerWaalsContact O-N 3.08Å; A279-Q304 PolarHBondContact O-N 2.89Å; A279-Q308 HydrophobicContact CB-CB 4.22Å; A279-Q308 HydrophobicContact CB-CG 3.67Å | ||
| 280 | V | 98.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.3 | -170.6 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | L218 V271 S272 T278 C282 C301 L302 Q303 Q308 | L218-V280 HydrophobicContact CD1-CG2 3.82Å; L218-V280 HydrophobicContact CD2-CG1 4.23Å; L218-V280 HydrophobicContact CD2-CG2 4.47Å; V271-V280 WeakPolarHBondContact CA-O 3.37Å; S272-V280 PolarHBondContact N-O 3.16Å; S272-V280 WeakPolarHBondContact OG-CG2 3.37Å; S272-V280 PolarHBondContact OG-N 2.89Å; S272-V280 PolarHBondContact OG-O 2.94Å; T278-V280 WeakPolarHBondContact O-CG1 3.45Å; V280-C282 VanDerWaalsContact CG2-SG 3.55Å; V280-C301 HydrophobicContact CB-CB 4.14Å; V280-C301 HydrophobicContact CG1-CB 4.42Å; V280-C301 HydrophobicContact CG2-CB 4.2Å; V280-L302 VanDerWaalsContact CA-O 3.22Å; V280-L302 WeakPolarHBondContact CA-O 3.42Å; V280-L302 WeakPolarHBondContact CB-O 3.41Å; V280-Q303 HydrophobicContact CG1-CB 4.13Å; V280-Q303 HydrophobicContact CG1-CG 4.44Å; V280-Q308 WeakPolarHBondContact O-CG 3.28Å |
| 281 | F | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137 | 157.3 | 164 | -105.5 | 0 | 0 | 0 | 108.5 | V8 L120 W269 C301 L302 L307 F311 | V8-F281 HydrophobicContact CG1-CE1 3.87Å; V8-F281 HydrophobicContact CG1-CZ 4.23Å; V8-F281 HydrophobicContact CG2-CD1 4.45Å; V8-F281 HydrophobicContact CG2-CE1 4.08Å; L120-F281 HydrophobicContact CD2-CE1 4.28Å; L120-F281 HydrophobicContact CD2-CZ 3.67Å; W269-F281 HydrophobicContact CB-CE2 3.76Å; W269-F281 HydrophobicContact CB-CZ 4.19Å; W269-F281 HydrophobicContact CD2-CE2 4.37Å; W269-F281 HydrophobicContact CG-CE2 4.08Å; F281-C301 CarbonylContact O-C 3.58Å; F281-C301 WeakPolarHBondContact O-CA 3.48Å; F281-L302 PolarHBondContact N-O 3Å; F281-L302 PolarHBondContact O-N 2.9Å; F281-L307 HydrophobicContact CB-CD2 3.96Å; F281-L307 HydrophobicContact CB-CG 3.73Å; F281-L307 HydrophobicContact CD1-CD1 4.3Å; F281-L307 HydrophobicContact CD1-CD2 3.69Å; F281-L307 HydrophobicContact CD1-CG 3.93Å; F281-L307 HydrophobicContact CG-CD2 4.17Å; F281-L307 HydrophobicContact CG-CG 3.99Å; F281-F311 HydrophobicContact CD1-CE2 4.47Å; F281-F311 HydrophobicContact CD2-CB 3.73Å; F281-F311 AromaticContact CD2-CD1 3.72Å; F281-F311 HydrophobicContact CD2-CD1 3.72Å; F281-F311 AromaticContact CD2-CD2 3.56Å; F281-F311 HydrophobicContact CD2-CD2 3.56Å; F281-F311 HydrophobicContact CD2-CE1 4.16Å; F281-F311 HydrophobicContact CD2-CE2 4.05Å; F281-F311 AromaticContact CD2-CG 3.37Å; F281-F311 HydrophobicContact CD2-CG 3.37Å; F281-F311 HydrophobicContact CD2-CZ 4.32Å; F281-F311 HydrophobicContact CE1-CE2 4.16Å; F281-F311 HydrophobicContact CE1-CZ 4.21Å; F281-F311 HydrophobicContact CE2-CB 4.15Å; F281-F311 AromaticContact CE2-CD1 3.21Å; F281-F311 HydrophobicContact CE2-CD1 3.21Å; F281-F311 AromaticContact CE2-CD2 3.64Å; F281-F311 HydrophobicContact CE2-CD2 3.64Å; F281-F311 AromaticContact CE2-CE1 3.28Å; F281-F311 HydrophobicContact CE2-CE1 3.28Å; F281-F311 AromaticContact CE2-CE2 3.73Å; F281-F311 HydrophobicContact CE2-CE2 3.73Å; F281-F311 AromaticContact CE2-CG 3.38Å; F281-F311 HydrophobicContact CE2-CG 3.38Å; F281-F311 AromaticContact CE2-CZ 3.55Å; F281-F311 HydrophobicContact CE2-CZ 3.55Å; F281-F311 HydrophobicContact CG-CD2 4.02Å; F281-F311 HydrophobicContact CG-CE2 4.39Å; F281-F311 HydrophobicContact CG-CG 4.26Å; F281-F311 HydrophobicContact CZ-CD1 4.01Å; F281-F311 HydrophobicContact CZ-CD2 4.14Å; F281-F311 AromaticContact CZ-CE1 3.59Å; F281-F311 HydrophobicContact CZ-CE1 3.59Å; F281-F311 AromaticContact CZ-CE2 3.75Å; F281-F311 HydrophobicContact CZ-CE2 3.75Å; F281-F311 HydrophobicContact CZ-CG 4.25Å; F281-F311 AromaticContact CZ-CZ 3.45Å; F281-F311 HydrophobicContact CZ-CZ 3.45Å; F281-F311 VanDerWaalsContact CZ-CZ 3.45Å |
| 282 | C | 98.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.8 | -179.4 | -44.2 | 0 | 0 | 0 | 0 | 112.2 | W269 A270 V280 V299 V300 C301 | W269-C282 CarbonylContact C-O 3.19Å; W269-C282 WeakPolarHBondContact CA-O 3.37Å; W269-C282 WeakPolarHBondContact CB-O 3.45Å; A270-C282 HydrophobicContact CB-CB 4.27Å; A270-C282 PolarHBondContact N-O 3.04Å; A270-C282 PolarHBondContact O-N 2.86Å; V280-C282 VanDerWaalsContact CG2-SG 3.55Å; C282-V299 HydrophobicContact CB-CG1 3.69Å; C282-V300 CarbonylContact C-O 3.5Å; C282-V300 WeakPolarHBondContact CA-O 3.35Å; C282-V300 WeakPolarHBondContact CB-O 3.42Å; C282-C301 HydrophobicContact CB-CB 3.98Å; C282-C301 WeakPolarHBondContact CB-SG 3.17Å; C282-C301 WeakPolarHBondContact SG-CB 3.46Å; C282-C301 CovalentContact SG-SG 2.03Å; C282-C301 PolarHBondContact SG-SG 3.37Å |
| 283 | V | 98.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 146.5 | 161.6 | 56.9 | 0 | 0 | 0 | 0 | 109.4 | T96 L120 V122 V299 V300 | T96-V283 HydrophobicContact CG2-CG1 3.71Å; L120-V283 HydrophobicContact CD2-CB 3.75Å; L120-V283 HydrophobicContact CD2-CG2 3.69Å; V122-V283 HydrophobicContact CB-CG1 4.32Å; V122-V283 HydrophobicContact CG2-CB 4.09Å; V122-V283 HydrophobicContact CG2-CG1 3.88Å; V283-V299 WeakPolarHBondContact O-CA 3.35Å; V283-V300 HydrophobicContact CG1-CB 3.81Å; V283-V300 HydrophobicContact CG1-CG2 4.31Å; V283-V300 PolarHBondContact N-O 3.1Å; V283-V300 PolarHBondContact O-N 3.28Å |
| 284 | S | 97.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 147.7 | 178.1 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | Y210 N268 A286 G298 V299 | Y210-S284 WeakPolarHBondContact OH-CB 3.46Å; Y210-S284 PolarHBondContact OH-OG 2.96Å; N268-S284 WeakPolarHBondContact CB-O 3.38Å; N268-S284 PolarHBondContact O-N 3.2Å; N268-S284 VanDerWaalsContact O-O 3.07Å; S284-A286 WeakPolarHBondContact OG-CB 3.46Å; S284-A286 PolarHBondContact OG-N 3.08Å; S284-G298 WeakPolarHBondContact CA-O 3.43Å; S284-G298 WeakPolarHBondContact CB-O 3.38Å; S284-G298 PolarHBondContact OG-O 2.9Å; S284-V299 WeakPolarHBondContact OG-CG2 3.43Å |
| 285 | D | 96.1 | Very high | 95 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | trans | -98.1 | -7.4 | 166.8 | 58.4 | 65 | 0 | 0 | 0 | 111.8 | P80 E141 G297 G298 | P80-D285 HydrophobicContact CB-CB 4.02Å; P80-D285 HydrophobicContact CG-CB 3.69Å; P80-D285 WeakPolarHBondContact CG-O 3.46Å; P80-D285 WeakPolarHBondContact CG-OD1 3.34Å; E141-D285 VanDerWaalsContact OE2-OD2 3.06Å; D285-G297 WeakPolarHBondContact OD1-CA 3.29Å; D285-G298 VanDerWaalsContact CG-N 3.33Å; D285-G298 PolarHBondContact N-O 3.27Å; D285-G298 PolarHBondContact OD1-N 2.63Å; D285-G298 WeakPolarHBondContact OD2-CA 3.31Å; D285-G298 PolarHBondContact OD2-N 2.59Å | ||
| 286 | A | 94.4 | Very high | 95 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | trans | -79.7 | 128.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I209 Y210 S284 | I209-A286 HydrophobicContact CG2-CB 3.73Å; Y210-A286 HydrophobicContact CE2-CB 4.19Å; Y210-A286 WeakPolarHBondContact CE2-O 3.14Å; Y210-A286 PolarHBondContact OH-O 3.09Å; S284-A286 WeakPolarHBondContact OG-CB 3.46Å; S284-A286 PolarHBondContact OG-N 3.08Å | ||
| 287 | I | 93.8 | Very high | 95 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | trans | -100.3 | 138.5 | -175.9 | -56.9 | 178.1 | 0 | 0 | 0 | 111.4 | S226 D227 T289 W292 | S226-I287 WeakPolarHBondContact OG-CA 3.48Å; D227-I287 HydrophobicContact CB-CD1 4.33Å; D227-I287 HydrophobicContact CB-CG2 3.96Å; D227-I287 WeakPolarHBondContact O-CG2 3.46Å; I287-T289 VanDerWaalsContact C-N 3.31Å; I287-T289 HydrophobicContact CG2-CG2 4.11Å; I287-T289 PolarHBondContact O-N 3.38Å; I287-W292 HydrophobicContact CB-CB 4.36Å; I287-W292 HydrophobicContact CB-CD2 3.7Å; I287-W292 HydrophobicContact CB-CE3 4.31Å; I287-W292 HydrophobicContact CB-CG 3.71Å; I287-W292 HydrophobicContact CD1-CD2 4.16Å; I287-W292 VanDerWaalsContact CD1-CE2 3.48Å; I287-W292 HydrophobicContact CD1-CH2 4.21Å; I287-W292 HydrophobicContact CD1-CZ2 3.48Å; I287-W292 VanDerWaalsContact CD1-CZ2 3.48Å; I287-W292 HydrophobicContact CG1-CD2 4.07Å; I287-W292 HydrophobicContact CG1-CE3 4.43Å; I287-W292 HydrophobicContact CG1-CZ2 4.17Å; I287-W292 HydrophobicContact CG2-CG 4.43Å; I287-W292 WeakPolarHBondContact O-CB 3.4Å | ||
| 288 | R | 93.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -83.4 | 64.4 | -178.3 | -65.3 | -152.8 | 74.1 | -153.6 | 2.9 | 114.1 | D208 Y210 V224 S226 L234 V244 N246 | D208-R288 IonicContact OD1-NE 2.99Å; D208-R288 IonicContact OD2-CZ 2.77Å; D208-R288 IonicContact OD2-NE 2.63Å; D208-R288 PolarHBondContact OD2-NE 2.91Å; D208-R288 IonicContact OD2-NH2 3.47Å; D208-R288 PolarHBondContact OD2-NH2 3.07Å; Y210-R288 HydrophobicContact CD2-CG 3.6Å; Y210-R288 HydrophobicContact CE2-CG 3.58Å; V224-R288 HydrophobicContact CG1-CG 4.12Å; S226-R288 PolarHBondContact OG-N 3.47Å; L234-R288 PolarHBondContact N-O 3.04Å; L234-R288 VanDerWaalsContact N-O 3.14Å; V244-R288 VanDerWaalsContact CG1-NH1 3.26Å; V244-R288 PolarHBondContact O-NH1 3.06Å; N246-R288 WeakPolarHBondContact OD1-CD 3.18Å; N246-R288 PolarHBondContact OD1-NH1 3.27Å |
| 289 | T | 93.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -131.2 | 162.6 | 169.9 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | A232 I287 A291 W292 | A232-T289 WeakPolarHBondContact O-CB 3.31Å; I287-T289 VanDerWaalsContact C-N 3.31Å; I287-T289 HydrophobicContact CG2-CG2 4.11Å; I287-T289 PolarHBondContact O-N 3.38Å; T289-A291 VanDerWaalsContact C-N 3.28Å; T289-A291 PolarHBondContact O-N 2.92Å; T289-W292 PolarHBondContact O-N 2.96Å; T289-W292 VanDerWaalsContact O-N 3.1Å |
| 290 | K | 92.8 | Very high | 95.3 | Very high | 131 Ų | 131 | 25.6 Ų | 25.6 | 57% | 0.57 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -58.2 | -39.7 | -177.9 | -68.7 | -176.3 | -176.1 | 177.2 | 0 | 112.6 | A232 L234 W292 K293 | A232-K290 HydrophobicContact CB-CB 4.19Å; A232-K290 HydrophobicContact CB-CD 4.24Å; A232-K290 HydrophobicContact CB-CG 4.38Å; A232-K290 PolarHBondContact O-N 2.57Å; L234-K290 HydrophobicContact CD2-CG 3.88Å; K290-W292 PolarHBondContact O-N 3.18Å; K290-K293 PolarHBondContact O-N 3.01Å |
| 291 | A | 90.2 | Very high | 95.3 | Very high | 60 Ų | 60 | 25.4 Ų | 25.4 | 50% | 0.496 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -70.4 | -15.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T289 N294 | T289-A291 VanDerWaalsContact C-N 3.28Å; T289-A291 PolarHBondContact O-N 2.92Å; A291-N294 PolarHBondContact O-OD1 3.14Å |
| 292 | W | 92.2 | Very high | 95.3 | Very high | 55 Ų | 55 | 25.5 Ų | 25.5 | 21% | 0.208 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -92.4 | -6.5 | -179.8 | -85.1 | 80.4 | 0 | 0 | 0 | 113.3 | P80 I287 T289 K290 N294 M295 | P80-W292 HydrophobicContact CB-CH2 3.69Å; P80-W292 HydrophobicContact CB-CZ3 4.09Å; P80-W292 HydrophobicContact CG-CH2 3.55Å; P80-W292 HydrophobicContact CG-CZ3 3.4Å; I287-W292 HydrophobicContact CB-CB 4.36Å; I287-W292 HydrophobicContact CB-CD2 3.7Å; I287-W292 HydrophobicContact CB-CE3 4.31Å; I287-W292 HydrophobicContact CB-CG 3.71Å; I287-W292 HydrophobicContact CD1-CD2 4.16Å; I287-W292 VanDerWaalsContact CD1-CE2 3.48Å; I287-W292 HydrophobicContact CD1-CH2 4.21Å; I287-W292 HydrophobicContact CD1-CZ2 3.48Å; I287-W292 VanDerWaalsContact CD1-CZ2 3.48Å; I287-W292 HydrophobicContact CG1-CD2 4.07Å; I287-W292 HydrophobicContact CG1-CE3 4.43Å; I287-W292 HydrophobicContact CG1-CZ2 4.17Å; I287-W292 HydrophobicContact CG2-CG 4.43Å; I287-W292 WeakPolarHBondContact O-CB 3.4Å; T289-W292 PolarHBondContact O-N 2.96Å; T289-W292 VanDerWaalsContact O-N 3.1Å; K290-W292 PolarHBondContact O-N 3.18Å; W292-N294 PolarHBondContact O-N 3.31Å; W292-M295 HydrophobicContact CD2-CB 4.06Å; W292-M295 HydrophobicContact CD2-CG 4.1Å; W292-M295 HydrophobicContact CE3-CB 3.45Å; W292-M295 VanDerWaalsContact CE3-CB 3.45Å; W292-M295 HydrophobicContact CE3-CG 3.94Å; W292-M295 HydrophobicContact CG-CG 4.5Å; W292-M295 HydrophobicContact CH2-CE 4.23Å; W292-M295 HydrophobicContact CZ3-CB 3.7Å; W292-M295 HydrophobicContact CZ3-CE 4.35Å; W292-M295 HydrophobicContact CZ3-CG 4.17Å; W292-M295 PolarHBondContact O-N 3.38Å |
| 293 | K | 93.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 28.9 Ų | 28.9 | 37% | 0.365 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -37.3 | 171.5 | -68.4 | -178.2 | 62.6 | -175.7 | 0 | 111.9 | K201 F206 I207 K290 | K201-K293 PolarHBondContact NZ-O 2.84Å; K201-K293 VanDerWaalsContact NZ-O 3.16Å; F206-K293 CarbonylContact C-O 3.55Å; F206-K293 VanDerWaalsContact CA-O 3.22Å; F206-K293 WeakPolarHBondContact CA-O 3.29Å; F206-K293 PolarHBondContact N-O 3.03Å; F206-K293 WeakPolarHBondContact O-CE 3.41Å; I207-K293 PolarHBondContact N-O 3.14Å; I207-K293 WeakPolarHBondContact O-CA 3.4Å; K290-K293 PolarHBondContact O-N 3.01Å |
| 294 | N | 92.4 | Very high | 95.1 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 41% | 0.406 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 12.1 | 179.7 | 62.9 | -58.5 | 0 | 0 | 0 | 114 | S203 F206 A291 W292 | S203-N294 WeakPolarHBondContact CB-O 3.33Å; S203-N294 WeakPolarHBondContact O-CA 3.15Å; F206-N294 HydrophobicContact CD1-CB 3.56Å; F206-N294 HydrophobicContact CE1-CB 3.47Å; F206-N294 VanDerWaalsContact CE1-CB 3.47Å; F206-N294 HydrophobicContact CZ-CB 4.48Å; A291-N294 PolarHBondContact O-OD1 3.14Å; W292-N294 PolarHBondContact O-N 3.31Å |
| 295 | M | 93 | Very high | 95.1 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 14% | 0.138 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -97 | 152.2 | 168.1 | -72.7 | -63.3 | -72.2 | 0 | 0 | 109.8 | S76 Y78 K201 W292 | S76-M295 WeakPolarHBondContact O-CE 3.5Å; Y78-M295 WeakPolarHBondContact O-CE 3.44Å; K201-M295 PolarHBondContact NZ-O 2.74Å; W292-M295 HydrophobicContact CD2-CB 4.06Å; W292-M295 HydrophobicContact CD2-CG 4.1Å; W292-M295 HydrophobicContact CE3-CB 3.45Å; W292-M295 VanDerWaalsContact CE3-CB 3.45Å; W292-M295 HydrophobicContact CE3-CG 3.94Å; W292-M295 HydrophobicContact CG-CG 4.5Å; W292-M295 HydrophobicContact CH2-CE 4.23Å; W292-M295 HydrophobicContact CZ3-CB 3.7Å; W292-M295 HydrophobicContact CZ3-CE 4.35Å; W292-M295 HydrophobicContact CZ3-CG 4.17Å; W292-M295 PolarHBondContact O-N 3.38Å |
| 296 | P | 94.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 7% | 0.071 | 18% | 0.176 | C | C | . | . | trans | -68.2 | 162.1 | 166.3 | 24.9 | -21.9 | 0 | 0 | 0 | 111.1 | E141 K201 | E141-P296 WeakPolarHBondContact O-CB 3.22Å; E141-P296 WeakPolarHBondContact O-CG 3.09Å; K201-P296 CarbonylContact O-C 3.54Å; K201-P296 WeakPolarHBondContact O-CA 3.35Å; K201-P296 WeakPolarHBondContact O-CB 3.25Å | ||
| 297 | G | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | 168.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114 | K201 D285 | K201-G297 WeakPolarHBondContact CB-O 3.45Å; K201-G297 PolarHBondContact N-O 3.35Å; K201-G297 PolarHBondContact O-N 2.85Å; D285-G297 WeakPolarHBondContact OD1-CA 3.29Å |
| 298 | G | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 161.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E141 V199 S284 D285 | E141-G298 VanDerWaalsContact CD-CA 3.43Å; E141-G298 VanDerWaalsContact OE2-CA 3.3Å; E141-G298 WeakPolarHBondContact OE2-CA 3.48Å; E141-G298 PolarHBondContact OE2-N 3.3Å; V199-G298 CarbonylContact O-C 3.53Å; V199-G298 WeakPolarHBondContact O-CA 3.48Å; S284-G298 WeakPolarHBondContact CA-O 3.43Å; S284-G298 WeakPolarHBondContact CB-O 3.38Å; S284-G298 PolarHBondContact OG-O 2.9Å; D285-G298 VanDerWaalsContact CG-N 3.33Å; D285-G298 PolarHBondContact N-O 3.27Å; D285-G298 PolarHBondContact OD1-N 2.63Å; D285-G298 WeakPolarHBondContact OD2-CA 3.31Å; D285-G298 PolarHBondContact OD2-N 2.59Å |
| 299 | V | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 129.8 | 174.3 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | V199 I209 Y210 M214 C282 V283 S284 C301 | V199-V299 PolarHBondContact N-O 2.99Å; V199-V299 PolarHBondContact O-N 2.89Å; I209-V299 HydrophobicContact CD1-CG2 4.07Å; I209-V299 HydrophobicContact CG2-CG2 3.81Å; Y210-V299 HydrophobicContact CE1-CG2 4.37Å; M214-V299 HydrophobicContact CE-CB 4.24Å; M214-V299 HydrophobicContact CE-CG1 3.92Å; M214-V299 HydrophobicContact CG-CB 4.29Å; M214-V299 HydrophobicContact CG-CG1 4.32Å; M214-V299 HydrophobicContact CG-CG2 4.07Å; M214-V299 HydrophobicContact SD-CB 4.12Å; M214-V299 HydrophobicContact SD-CG1 4.37Å; M214-V299 HydrophobicContact SD-CG2 4.44Å; C282-V299 HydrophobicContact CB-CG1 3.69Å; V283-V299 WeakPolarHBondContact O-CA 3.35Å; S284-V299 WeakPolarHBondContact OG-CG2 3.43Å; V299-C301 VanDerWaalsContact CG1-SG 3.58Å |
| 300 | V | 98.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.5 | 174.6 | -169 | 0 | 0 | 0 | 0 | 108.3 | W94 T96 L124 T196 T197 F198 C282 V283 | W94-V300 HydrophobicContact CH2-CB 4.31Å; W94-V300 HydrophobicContact CH2-CG1 4.01Å; W94-V300 HydrophobicContact CH2-CG2 3.31Å; W94-V300 HydrophobicContact CZ2-CG2 3.86Å; W94-V300 HydrophobicContact CZ3-CG1 3.93Å; W94-V300 HydrophobicContact CZ3-CG2 4.11Å; T96-V300 HydrophobicContact CG2-CG2 4.36Å; L124-V300 HydrophobicContact CD1-CG1 3.93Å; T196-V300 HydrophobicContact CG2-CG1 3.7Å; T197-V300 CarbonylContact O-C 3.39Å; T197-V300 WeakPolarHBondContact O-CA 3.43Å; F198-V300 HydrophobicContact CD2-CG2 3.83Å; F198-V300 HydrophobicContact CE2-CG2 4.31Å; C282-V300 CarbonylContact C-O 3.5Å; C282-V300 WeakPolarHBondContact CA-O 3.35Å; C282-V300 WeakPolarHBondContact CB-O 3.42Å; V283-V300 HydrophobicContact CG1-CB 3.81Å; V283-V300 HydrophobicContact CG1-CG2 4.31Å; V283-V300 PolarHBondContact N-O 3.1Å; V283-V300 PolarHBondContact O-N 3.28Å |
| 301 | C | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.5 | -177.5 | -64 | 0 | 0 | 0 | 0 | 111.4 | T196 T197 V280 F281 C282 V299 | T196-C301 CarbonylContact C-O 3.56Å; T196-C301 VanDerWaalsContact CA-O 3.29Å; T196-C301 WeakPolarHBondContact CA-O 3.33Å; T197-C301 PolarHBondContact N-O 2.79Å; T197-C301 PolarHBondContact O-N 3.44Å; V280-C301 HydrophobicContact CB-CB 4.14Å; V280-C301 HydrophobicContact CG1-CB 4.42Å; V280-C301 HydrophobicContact CG2-CB 4.2Å; F281-C301 CarbonylContact O-C 3.58Å; F281-C301 WeakPolarHBondContact O-CA 3.48Å; C282-C301 HydrophobicContact CB-CB 3.98Å; C282-C301 WeakPolarHBondContact CB-SG 3.17Å; C282-C301 WeakPolarHBondContact SG-CB 3.46Å; C282-C301 CovalentContact SG-SG 2.03Å; C282-C301 PolarHBondContact SG-SG 3.37Å; V299-C301 VanDerWaalsContact CG1-SG 3.58Å |
| 302 | L | 97.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.8 | 173.2 | -59.6 | 173.8 | 0 | 0 | 0 | 109 | V8 V122 L124 A194 T196 V280 F281 Q304 L307 | V8-L302 HydrophobicContact CG2-CD1 4.15Å; V122-L302 HydrophobicContact CG1-CD1 4.25Å; L124-L302 HydrophobicContact CD1-CD2 4.43Å; L124-L302 HydrophobicContact CD2-CD1 4.19Å; L124-L302 HydrophobicContact CD2-CD2 3.62Å; L124-L302 HydrophobicContact CD2-CG 4.48Å; A194-L302 HydrophobicContact CB-CB 4.49Å; A194-L302 HydrophobicContact CB-CD2 4.35Å; T196-L302 HydrophobicContact CG2-CD2 3.88Å; T196-L302 WeakPolarHBondContact OG1-CD2 3.37Å; V280-L302 VanDerWaalsContact CA-O 3.22Å; V280-L302 WeakPolarHBondContact CA-O 3.42Å; V280-L302 WeakPolarHBondContact CB-O 3.41Å; F281-L302 PolarHBondContact N-O 3Å; F281-L302 PolarHBondContact O-N 2.9Å; L302-Q304 PolarHBondContact O-N 2.91Å; L302-Q304 VanDerWaalsContact O-N 3.1Å; L302-L307 HydrophobicContact CB-CD2 4.17Å; L302-L307 HydrophobicContact CD1-CD2 3.81Å |
| 303 | Q | 97.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 31.6 Ų | 31.6 | 33% | 0.332 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 92.6 | 171.9 | -171.2 | -179.4 | -54.7 | 0 | 0 | 109.7 | L195 T277 V280 | L195-Q303 HydrophobicContact CB-CB 4.18Å; L195-Q303 WeakPolarHBondContact O-CB 3.46Å; L195-Q303 PolarHBondContact O-N 2.86Å; T277-Q303 PolarHBondContact O-NE2 3.5Å; T277-Q303 VanDerWaalsContact O-NE2 3.12Å; V280-Q303 HydrophobicContact CG1-CB 4.13Å; V280-Q303 HydrophobicContact CG1-CG 4.44Å |
| 304 | Q | 95.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | trans | -151.2 | 113 | -178.9 | -151.9 | -52.1 | -39.2 | 0 | 0 | 108.5 | P27 A279 L302 L307 Q308 | P27-Q304 VanDerWaalsContact CD-NE2 3.3Å; P27-Q304 HydrophobicContact CG-CG 4.16Å; A279-Q304 PolarHBondContact O-N 2.89Å; L302-Q304 PolarHBondContact O-N 2.91Å; L302-Q304 VanDerWaalsContact O-N 3.1Å; Q304-L307 HydrophobicContact CB-CB 3.98Å; Q304-L307 HydrophobicContact CB-CD2 4.44Å; Q304-L307 HydrophobicContact CG-CB 4.37Å; Q304-L307 PolarHBondContact O-N 3.3Å; Q304-Q308 WeakPolarHBondContact O-CB 3.35Å; Q304-Q308 PolarHBondContact O-N 2.84Å | ||
| 305 | Q | 96.2 | Very high | 97 | Very high | 80 Ų | 80 | 24.3 Ų | 24.3 | 37% | 0.374 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.6 | -43.1 | -170.4 | -176.5 | 178.4 | 2.3 | 0 | 0 | 114.1 | Q308 T309 | Q305-Q308 WeakPolarHBondContact O-CB 3.49Å; Q305-Q308 PolarHBondContact O-N 3.23Å; Q305-Q308 PolarHBondContact O-OE1 2.96Å; Q305-T309 WeakPolarHBondContact O-CB 3.37Å; Q305-T309 PolarHBondContact O-N 3.06Å; Q305-T309 PolarHBondContact O-OG1 2.86Å |
| 306 | Q | 96.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 26.1 Ų | 26.1 | 31% | 0.308 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.7 | -42 | 178.6 | -68.1 | 77.4 | 0.8 | 0 | 0 | 111.3 | A26 P27 Q308 T309 L310 | A26-Q306 HydrophobicContact CB-CG 4.17Å; P27-Q306 WeakPolarHBondContact O-CB 3.34Å; Q306-Q308 VanDerWaalsContact C-N 3.32Å; Q306-Q308 PolarHBondContact O-N 3.14Å; Q306-T309 WeakPolarHBondContact O-CA 3.29Å; Q306-T309 WeakPolarHBondContact O-CB 3.37Å; Q306-T309 PolarHBondContact O-N 3.16Å; Q306-L310 VanDerWaalsContact O-CG 3.31Å; Q306-L310 WeakPolarHBondContact O-CG 3.45Å; Q306-L310 PolarHBondContact O-N 3.33Å |
| 307 | L | 96.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 173.7 | -178.6 | 60.4 | 0 | 0 | 0 | 110.9 | V8 I21 F281 L302 Q304 T309 L310 F311 | V8-L307 HydrophobicContact CB-CD1 4.48Å; V8-L307 HydrophobicContact CG2-CD1 4.19Å; V8-L307 HydrophobicContact CG2-CD2 4.06Å; I21-L307 HydrophobicContact CB-CD1 4.43Å; I21-L307 HydrophobicContact CD1-CD1 3.57Å; I21-L307 HydrophobicContact CG2-CD1 4.18Å; F281-L307 HydrophobicContact CB-CD2 3.96Å; F281-L307 HydrophobicContact CB-CG 3.73Å; F281-L307 HydrophobicContact CD1-CD1 4.3Å; F281-L307 HydrophobicContact CD1-CD2 3.69Å; F281-L307 HydrophobicContact CD1-CG 3.93Å; F281-L307 HydrophobicContact CG-CD2 4.17Å; F281-L307 HydrophobicContact CG-CG 3.99Å; L302-L307 HydrophobicContact CB-CD2 4.17Å; L302-L307 HydrophobicContact CD1-CD2 3.81Å; Q304-L307 HydrophobicContact CB-CB 3.98Å; Q304-L307 HydrophobicContact CB-CD2 4.44Å; Q304-L307 HydrophobicContact CG-CB 4.37Å; Q304-L307 PolarHBondContact O-N 3.3Å; L307-T309 VanDerWaalsContact C-N 3.32Å; L307-T309 PolarHBondContact O-N 2.78Å; L307-L310 PolarHBondContact O-N 3.36Å; L307-F311 HydrophobicContact CD1-CD2 3.89Å; L307-F311 HydrophobicContact CD1-CE2 3.76Å; L307-F311 PolarHBondContact O-N 2.96Å; L307-F311 VanDerWaalsContact O-N 3.15Å |
| 308 | Q | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 171.2 | 179.3 | -81.7 | -30.7 | 0 | 0 | 111 | V271 S272 A279 V280 Q304 Q305 Q306 L310 F311 N312 | V271-Q308 HydrophobicContact CG2-CB 4.29Å; V271-Q308 HydrophobicContact CG2-CG 3.63Å; V271-Q308 VanDerWaalsContact CG2-O 3.31Å; V271-Q308 WeakPolarHBondContact CG2-O 3.42Å; S272-Q308 PolarHBondContact O-NE2 3.33Å; A279-Q308 HydrophobicContact CB-CB 4.22Å; A279-Q308 HydrophobicContact CB-CG 3.67Å; V280-Q308 WeakPolarHBondContact O-CG 3.28Å; Q304-Q308 WeakPolarHBondContact O-CB 3.35Å; Q304-Q308 PolarHBondContact O-N 2.84Å; Q305-Q308 WeakPolarHBondContact O-CB 3.49Å; Q305-Q308 PolarHBondContact O-N 3.23Å; Q305-Q308 PolarHBondContact O-OE1 2.96Å; Q306-Q308 VanDerWaalsContact C-N 3.32Å; Q306-Q308 PolarHBondContact O-N 3.14Å; Q308-L310 PolarHBondContact O-N 2.87Å; Q308-F311 PolarHBondContact O-N 2.64Å; Q308-N312 PolarHBondContact NE2-ND2 3.29Å; Q308-N312 WeakPolarHBondContact O-CB 3.25Å; Q308-N312 PolarHBondContact O-N 3.16Å |
| 309 | T | 98.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 35.2 Ų | 35.2 | 38% | 0.38 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 179.7 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | Q305 Q306 L307 N312 T313 | Q305-T309 WeakPolarHBondContact O-CB 3.37Å; Q305-T309 PolarHBondContact O-N 3.06Å; Q305-T309 PolarHBondContact O-OG1 2.86Å; Q306-T309 WeakPolarHBondContact O-CA 3.29Å; Q306-T309 WeakPolarHBondContact O-CB 3.37Å; Q306-T309 PolarHBondContact O-N 3.16Å; L307-T309 VanDerWaalsContact C-N 3.32Å; L307-T309 PolarHBondContact O-N 2.78Å; T309-N312 PolarHBondContact O-N 3.47Å; T309-T313 WeakPolarHBondContact O-CB 3.48Å; T309-T313 PolarHBondContact O-N 3.11Å; T309-T313 PolarHBondContact O-OG1 3.12Å |
| 310 | L | 98.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 35.5 Ų | 35.5 | 20% | 0.199 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 178.4 | -66 | 170.6 | 0 | 0 | 0 | 111.2 | I21 Q306 L307 Q308 T313 I314 | I21-L310 HydrophobicContact CD1-CB 4.42Å; I21-L310 HydrophobicContact CD1-CD1 3.53Å; I21-L310 HydrophobicContact CG1-CD1 4.06Å; Q306-L310 VanDerWaalsContact O-CG 3.31Å; Q306-L310 WeakPolarHBondContact O-CG 3.45Å; Q306-L310 PolarHBondContact O-N 3.33Å; L307-L310 PolarHBondContact O-N 3.36Å; Q308-L310 PolarHBondContact O-N 2.87Å; L310-T313 WeakPolarHBondContact O-CB 3.32Å; L310-T313 PolarHBondContact O-N 2.83Å; L310-I314 WeakPolarHBondContact O-CG1 3.28Å; L310-I314 PolarHBondContact O-N 3.08Å |
| 311 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73 | -30.5 | 179 | -83.9 | -93 | 0 | 0 | 0 | 113.7 | V8 Y10 I21 W29 L120 W269 V271 F281 L307 Q308 T313 I314 A315 | V8-F311 HydrophobicContact CG1-CE2 4.02Å; V8-F311 HydrophobicContact CG1-CZ 3.91Å; Y10-F311 HydrophobicContact CD2-CE1 4.05Å; Y10-F311 HydrophobicContact CD2-CZ 4.16Å; Y10-F311 AromaticContact CE2-CE1 3.98Å; Y10-F311 HydrophobicContact CE2-CE1 3.98Å; I21-F311 HydrophobicContact CD1-CE2 4.04Å; W29-F311 HydrophobicContact CH2-CE2 4.21Å; W29-F311 HydrophobicContact CH2-CZ 4.17Å; W29-F311 HydrophobicContact CZ2-CE2 4.32Å; L120-F311 HydrophobicContact CD1-CZ 4.35Å; W269-F311 AromaticContact CD2-CD1 3.9Å; W269-F311 HydrophobicContact CD2-CD1 3.9Å; W269-F311 HydrophobicContact CD2-CE1 4.3Å; W269-F311 AromaticContact CE2-CD1 3.93Å; W269-F311 HydrophobicContact CE3-CD1 4.09Å; W269-F311 HydrophobicContact CG-CD1 4.39Å; W269-F311 HydrophobicContact CG-CE1 4.38Å; W269-F311 HydrophobicContact CH2-CD1 4.41Å; W269-F311 HydrophobicContact CZ2-CD1 4.21Å; W269-F311 HydrophobicContact CZ3-CD1 4.34Å; V271-F311 HydrophobicContact CB-CB 4.35Å; V271-F311 HydrophobicContact CG2-CB 4.08Å; F281-F311 HydrophobicContact CD1-CE2 4.47Å; F281-F311 HydrophobicContact CD2-CB 3.73Å; F281-F311 AromaticContact CD2-CD1 3.72Å; F281-F311 HydrophobicContact CD2-CD1 3.72Å; F281-F311 AromaticContact CD2-CD2 3.56Å; F281-F311 HydrophobicContact CD2-CD2 3.56Å; F281-F311 HydrophobicContact CD2-CE1 4.16Å; F281-F311 HydrophobicContact CD2-CE2 4.05Å; F281-F311 AromaticContact CD2-CG 3.37Å; F281-F311 HydrophobicContact CD2-CG 3.37Å; F281-F311 HydrophobicContact CD2-CZ 4.32Å; F281-F311 HydrophobicContact CE1-CE2 4.16Å; F281-F311 HydrophobicContact CE1-CZ 4.21Å; F281-F311 HydrophobicContact CE2-CB 4.15Å; F281-F311 AromaticContact CE2-CD1 3.21Å; F281-F311 HydrophobicContact CE2-CD1 3.21Å; F281-F311 AromaticContact CE2-CD2 3.64Å; F281-F311 HydrophobicContact CE2-CD2 3.64Å; F281-F311 AromaticContact CE2-CE1 3.28Å; F281-F311 HydrophobicContact CE2-CE1 3.28Å; F281-F311 AromaticContact CE2-CE2 3.73Å; F281-F311 HydrophobicContact CE2-CE2 3.73Å; F281-F311 AromaticContact CE2-CG 3.38Å; F281-F311 HydrophobicContact CE2-CG 3.38Å; F281-F311 AromaticContact CE2-CZ 3.55Å; F281-F311 HydrophobicContact CE2-CZ 3.55Å; F281-F311 HydrophobicContact CG-CD2 4.02Å; F281-F311 HydrophobicContact CG-CE2 4.39Å; F281-F311 HydrophobicContact CG-CG 4.26Å; F281-F311 HydrophobicContact CZ-CD1 4.01Å; F281-F311 HydrophobicContact CZ-CD2 4.14Å; F281-F311 AromaticContact CZ-CE1 3.59Å; F281-F311 HydrophobicContact CZ-CE1 3.59Å; F281-F311 AromaticContact CZ-CE2 3.75Å; F281-F311 HydrophobicContact CZ-CE2 3.75Å; F281-F311 HydrophobicContact CZ-CG 4.25Å; F281-F311 AromaticContact CZ-CZ 3.45Å; F281-F311 HydrophobicContact CZ-CZ 3.45Å; F281-F311 VanDerWaalsContact CZ-CZ 3.45Å; L307-F311 HydrophobicContact CD1-CD2 3.89Å; L307-F311 HydrophobicContact CD1-CE2 3.76Å; L307-F311 PolarHBondContact O-N 2.96Å; L307-F311 VanDerWaalsContact O-N 3.15Å; Q308-F311 PolarHBondContact O-N 2.64Å; F311-T313 VanDerWaalsContact C-N 3.3Å; F311-I314 HydrophobicContact CD1-CD1 4.09Å; F311-I314 HydrophobicContact CE1-CD1 4.35Å; F311-I314 HydrophobicContact CG-CD1 4.37Å; F311-I314 WeakPolarHBondContact O-CB 3.27Å; F311-I314 PolarHBondContact O-N 3.33Å; F311-A315 PolarHBondContact O-N 3.46Å |
| 312 | N | 97.3 | Very high | 96 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -36.1 | 172.9 | -173.7 | -82.5 | 0 | 0 | 0 | 111 | V271 S272 K273 Q308 T309 A315 N316 | V271-N312 HydrophobicContact CG1-CB 4.43Å; V271-N312 HydrophobicContact CG2-CB 4.04Å; S272-N312 PolarHBondContact O-ND2 3.03Å; K273-N312 PolarHBondContact O-ND2 2.97Å; Q308-N312 PolarHBondContact NE2-ND2 3.29Å; Q308-N312 WeakPolarHBondContact O-CB 3.25Å; Q308-N312 PolarHBondContact O-N 3.16Å; T309-N312 PolarHBondContact O-N 3.47Å; N312-A315 PolarHBondContact O-N 2.82Å; N312-N316 WeakPolarHBondContact O-CB 3.41Å; N312-N316 PolarHBondContact O-N 2.71Å; N312-N316 PolarHBondContact O-ND2 3.35Å; N312-N316 PolarHBondContact OD1-ND2 3.05Å |
| 313 | T | 97.4 | Very high | 95.8 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 47% | 0.466 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 172.2 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | T309 L310 F311 A315 N316 T317 | T309-T313 WeakPolarHBondContact O-CB 3.48Å; T309-T313 PolarHBondContact O-N 3.11Å; T309-T313 PolarHBondContact O-OG1 3.12Å; L310-T313 WeakPolarHBondContact O-CB 3.32Å; L310-T313 PolarHBondContact O-N 2.83Å; F311-T313 VanDerWaalsContact C-N 3.3Å; T313-A315 VanDerWaalsContact C-N 3.33Å; T313-A315 PolarHBondContact O-N 3.07Å; T313-N316 PolarHBondContact O-N 2.9Å; T313-T317 WeakPolarHBondContact O-CB 3.26Å; T313-T317 PolarHBondContact O-N 2.83Å; T313-T317 PolarHBondContact O-OG1 3.48Å |
| 314 | I | 97.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 174.4 | -63.6 | 170.8 | 0 | 0 | 0 | 110.2 | W29 I253 T254 V255 W269 L310 F311 A318 | W29-I314 HydrophobicContact CZ2-CD1 3.76Å; I253-I314 HydrophobicContact CB-CG2 3.77Å; I253-I314 HydrophobicContact CD1-CG2 4.18Å; I253-I314 HydrophobicContact CG1-CG2 4.47Å; I253-I314 HydrophobicContact CG2-CG2 4.24Å; T254-I314 WeakPolarHBondContact O-CG1 3.37Å; V255-I314 HydrophobicContact CB-CD1 4.37Å; V255-I314 HydrophobicContact CG1-CD1 4.17Å; V255-I314 HydrophobicContact CG2-CD1 4.13Å; V255-I314 HydrophobicContact CG2-CG2 4.44Å; W269-I314 HydrophobicContact CH2-CB 4.49Å; W269-I314 HydrophobicContact CH2-CG2 4.19Å; W269-I314 HydrophobicContact CZ2-CG2 3.96Å; L310-I314 WeakPolarHBondContact O-CG1 3.28Å; L310-I314 PolarHBondContact O-N 3.08Å; F311-I314 HydrophobicContact CD1-CD1 4.09Å; F311-I314 HydrophobicContact CE1-CD1 4.35Å; F311-I314 HydrophobicContact CG-CD1 4.37Å; F311-I314 WeakPolarHBondContact O-CB 3.27Å; F311-I314 PolarHBondContact O-N 3.33Å; I314-A318 PolarHBondContact O-N 3.08Å |
| 315 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I223 V247 W269 V271 F311 N312 T313 A318 I320 | I223-A315 HydrophobicContact CB-CB 4.46Å; I223-A315 HydrophobicContact CG2-CB 3.78Å; V247-A315 HydrophobicContact CG2-CB 3.93Å; W269-A315 HydrophobicContact CH2-CB 3.93Å; W269-A315 HydrophobicContact CZ3-CB 4.14Å; V271-A315 HydrophobicContact CG1-CB 4.39Å; F311-A315 PolarHBondContact O-N 3.46Å; N312-A315 PolarHBondContact O-N 2.82Å; T313-A315 VanDerWaalsContact C-N 3.33Å; T313-A315 PolarHBondContact O-N 3.07Å; A315-A318 PolarHBondContact O-N 2.76Å; A315-A318 VanDerWaalsContact O-O 3.11Å; A315-I320 WeakPolarHBondContact O-CG1 3.41Å |
| 316 | N | 94.8 | Very high | 92.4 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -79 | -23.5 | -176.7 | -81.9 | -64.3 | 0 | 0 | 0 | 114.2 | N312 T313 A318 I320 | N312-N316 WeakPolarHBondContact O-CB 3.41Å; N312-N316 PolarHBondContact O-N 2.71Å; N312-N316 PolarHBondContact O-ND2 3.35Å; N312-N316 PolarHBondContact OD1-ND2 3.05Å; T313-N316 PolarHBondContact O-N 2.9Å; N316-A318 VanDerWaalsContact C-N 3.28Å; N316-A318 CarbonylContact C-O 3.47Å; N316-I320 WeakPolarHBondContact OD1-CD1 3.12Å |
| 317 | T | 93.9 | Very high | 89.6 | Confident | 103 Ų | 103 | 60.4 Ų | 60.4 | 63% | 0.632 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.4 | -30.2 | 171.9 | -55 | 0 | 0 | 0 | 0 | 110.7 | T313 | T313-T317 WeakPolarHBondContact O-CB 3.26Å; T313-T317 PolarHBondContact O-N 2.83Å; T313-T317 PolarHBondContact O-OG1 3.48Å |
| 318 | A | 92.5 | Very high | 89.2 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -79.5 | 163.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V247 Q251 I253 I314 A315 N316 | V247-A318 HydrophobicContact CG1-CB 3.78Å; Q251-A318 HydrophobicContact CB-CB 4.11Å; I253-A318 HydrophobicContact CG2-CB 4.1Å; I314-A318 PolarHBondContact O-N 3.08Å; A315-A318 PolarHBondContact O-N 2.76Å; A315-A318 VanDerWaalsContact O-O 3.11Å; N316-A318 VanDerWaalsContact C-N 3.28Å; N316-A318 CarbonylContact C-O 3.47Å |
| 319 | E | 90.3 | Very high | 88.8 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | trans | -75 | 133.2 | 171.9 | -65.1 | 178.9 | -147.7 | 0 | 0 | 112.2 | K248 Q251 | K248-E319 HydrophobicContact CB-CB 4.43Å; K248-E319 WeakPolarHBondContact CB-O 3.31Å; K248-E319 HydrophobicContact CD-CB 3.78Å; K248-E319 WeakPolarHBondContact CD-OE2 3.48Å; K248-E319 WeakPolarHBondContact CE-OE2 3.47Å; K248-E319 HydrophobicContact CG-CB 4.25Å; K248-E319 WeakPolarHBondContact CG-O 3.25Å; K248-E319 PolarHBondContact N-O 3.26Å; K248-E319 IonicContact NZ-OE2 3.39Å; K248-E319 PolarHBondContact NZ-OE2 3.31Å; Q251-E319 HydrophobicContact CG-CB 3.81Å; Q251-E319 HydrophobicContact CG-CG 4.41Å; Q251-E319 PolarHBondContact NE2-OE1 3.2Å; Q251-E319 PolarHBondContact NE2-OE2 2.53Å | ||
| 320 | I | 94.4 | Very high | 88.3 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.3 | 175.6 | -60.9 | 170.8 | 0 | 0 | 0 | 109.6 | I223 E245 N246 V247 A315 N316 R322 | I223-I320 HydrophobicContact CD1-CD1 3.85Å; I223-I320 HydrophobicContact CG1-CD1 4.33Å; I223-I320 HydrophobicContact CG2-CD1 3.92Å; I223-I320 HydrophobicContact CG2-CG1 4.27Å; E245-I320 HydrophobicContact CB-CG2 3.73Å; N246-I320 CarbonylContact O-C 3.56Å; N246-I320 WeakPolarHBondContact O-CA 3.13Å; N246-I320 WeakPolarHBondContact O-CG2 3.46Å; V247-I320 HydrophobicContact CG2-CG1 4.41Å; A315-I320 WeakPolarHBondContact O-CG1 3.41Å; N316-I320 WeakPolarHBondContact OD1-CD1 3.12Å; I320-R322 HydrophobicContact CB-CG 3.96Å; I320-R322 HydrophobicContact CG2-CG 3.8Å; I320-R322 PolarHBondContact O-N 3.37Å |
| 321 | E | 94.4 | Very high | 87.7 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 33% | 0.332 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 79.7 | 163.1 | -175.3 | -161.9 | -173.2 | 0 | 0 | 108.4 | P235 S236 N246 K248 | P235-E321 WeakPolarHBondContact CB-OE1 3.34Å; S236-E321 WeakPolarHBondContact CB-O 3.4Å; S236-E321 WeakPolarHBondContact CB-OE2 2.99Å; S236-E321 VanDerWaalsContact N-CD 3.31Å; S236-E321 PolarHBondContact N-OE1 3.01Å; S236-E321 PolarHBondContact N-OE2 3.22Å; S236-E321 WeakPolarHBondContact OG-CB 3.26Å; S236-E321 PolarHBondContact OG-O 3.18Å; S236-E321 PolarHBondContact OG-OE2 3.08Å; N246-E321 HydrophobicContact CB-CB 4.39Å; N246-E321 PolarHBondContact ND2-OE2 3.1Å; N246-E321 PolarHBondContact O-N 3.19Å; K248-E321 HydrophobicContact CG-CB 4.39Å |
| 322 | R | 95 | Very high | 87 | Confident | 143 Ų | 143 | 72.8 Ų | 72.8 | 54% | 0.54 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 142.1 | -174.4 | -67.2 | -173.8 | 175.9 | 102.4 | 2.4 | 111.3 | I320 | I320-R322 HydrophobicContact CB-CG 3.96Å; I320-R322 HydrophobicContact CG2-CG 3.8Å; I320-R322 PolarHBondContact O-N 3.37Å |
| 323 | C | 94.3 | Very high | 86.4 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 7% | 0.074 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 141.1 | 164.4 | -66.4 | 0 | 0 | 0 | 0 | 109.5 | C238 K243 E245 S325 | C238-C323 WeakPolarHBondContact CA-SG 3.39Å; C238-C323 HydrophobicContact CB-CB 3.55Å; C238-C323 WeakPolarHBondContact CB-SG 3.36Å; C238-C323 WeakPolarHBondContact SG-CA 3.04Å; C238-C323 WeakPolarHBondContact SG-CB 3.3Å; C238-C323 CovalentContact SG-SG 2.03Å; C238-C323 PolarHBondContact SG-SG 2.84Å; K243-C323 HydrophobicContact CD-CB 3.76Å; E245-C323 HydrophobicContact CG-CB 4.38Å; E245-C323 WeakPolarHBondContact OE1-CB 3.35Å; E245-C323 PolarHBondContact OE1-N 3.2Å; C323-S325 PolarHBondContact O-N 2.72Å |
| 324 | L | 85.3 | Confident | 85.6 | Confident | 150 Ų | 150 | 75.8 Ų | 75.8 | 79% | 0.785 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 134.9 | 174.1 | -61.8 | 175 | 0 | 0 | 0 | 109.7 | K243 N326 | K243-L324 PolarHBondContact NZ-O 3.3Å; L324-N326 PolarHBondContact O-N 3.12Å |
| 325 | S | 71.4 | Confident | 84.7 | Confident | 105 Ų | 105 | 81.1 Ų | 81.1 | 73% | 0.734 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 116 | 161.5 | 48.5 | 0 | 0 | 0 | 0 | 106.3 | C323 G327 | C323-S325 PolarHBondContact O-N 2.72Å; S325-G327 PolarHBondContact O-N 2.96Å; S325-G327 VanDerWaalsContact O-N 3.13Å |
| 326 | N | 60.8 | Low | 83.7 | Confident | 151 Ų | 151 | 87.8 Ų | 87.8 | 81% | 0.807 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -63 | 117 | 158.1 | -68.5 | -6.9 | 0 | 0 | 0 | 104.4 | L324 | L324-N326 PolarHBondContact O-N 3.12Š|
| 327 | G | 37.5 | Very low | 82.7 | Confident | 147 Ų | 147 | 89.8 Ų | 89.8 | 100% | 1.515 | 54% | 0.54 | S | S | * | . | trans | -58.9 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S325 | S325-G327 PolarHBondContact O-N 2.96Å; S325-G327 VanDerWaalsContact O-N 3.13Å |
Retrieved 327 of 327 residues in 295.4 ms
(Link to these results)