| 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 | 52.9 | Low | 88.8 | Confident | 245 Ų | 245 | 80.5 Ų | 80.5 | 100% | 1.207 | 45% | 0.452 | S | S | * | . | 0 | 128.7 | 0 | -64.7 | 177.8 | -144.3 | 0 | 0 | 107 | |||||
| 2 | S | 62 | Low | 88.8 | Confident | 96 Ų | 96 | 84.4 Ų | 84.4 | 67% | 0.671 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 138.8 | 172.6 | 43.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 3 | S | 89.2 | Confident | 88.4 | Confident | 102 Ų | 102 | 86 Ų | 86 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 145.7 | 173 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | K5 | S3-K5 PolarHBondContact O-N 3.21Š|
| 4 | V | 97.3 | Very high | 89 | Confident | 63 Ų | 63 | 80.4 Ų | 80.4 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 128.7 | 173.1 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | I6 V238 I284 T285 L287 | V4-I6 HydrophobicContact CG1-CG1 4.48Å; V4-V238 HydrophobicContact CG1-CG1 3.99Å; V4-I284 HydrophobicContact CG1-CG2 3.71Å; V4-T285 VanDerWaalsContact CA-O 3.31Å; V4-T285 WeakPolarHBondContact CA-O 3.29Å; V4-L287 HydrophobicContact CG2-CD2 4.3Å |
| 5 | K | 98.4 | Very high | 89.5 | Confident | 130 Ų | 130 | 81.7 Ų | 81.7 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.6 | 175.7 | -178.7 | -175.4 | 177.7 | -171.4 | 0 | 110 | S3 I284 T285 | S3-K5 PolarHBondContact O-N 3.21Å; K5-I284 WeakPolarHBondContact O-CA 3.25Å; K5-T285 PolarHBondContact N-O 3.12Å; K5-T285 PolarHBondContact O-N 3.1Å; K5-T285 PolarHBondContact O-OG1 3.11Å |
| 6 | I | 98.6 | Very high | 90 | Very high | 56 Ų | 56 | 77.8 Ų | 77.8 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.6 | -179.9 | -54 | 176.2 | 0 | 0 | 0 | 108.7 | V4 V238 K239 F282 K283 I284 | V4-I6 HydrophobicContact CG1-CG1 4.48Å; I6-V238 HydrophobicContact CD1-CG1 3.91Å; I6-K239 WeakPolarHBondContact CD1-O 3.27Å; I6-F282 HydrophobicContact CG2-CB 4.32Å; I6-F282 HydrophobicContact CG2-CD1 3.99Å; I6-K283 WeakPolarHBondContact CA-O 3.34Å; I6-I284 HydrophobicContact CG1-CG1 4.28Å; I6-I284 HydrophobicContact CG1-CG2 4.36Å |
| 7 | E | 98.2 | Very high | 90.5 | Very high | 81 Ų | 81 | 73.3 Ų | 73.3 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.1 | -179.8 | 179.9 | -175.5 | -177.4 | 0 | 0 | 109.1 | V9 F282 K283 | E7-V9 HydrophobicContact CB-CG1 4.43Å; E7-V9 HydrophobicContact CG-CG1 4.02Å; E7-V9 PolarHBondContact O-N 3.21Å; E7-F282 CarbonylContact O-C 3.57Å; E7-F282 VanDerWaalsContact O-CA 3.3Å; E7-F282 WeakPolarHBondContact O-CA 3.47Å; E7-K283 PolarHBondContact N-O 3.36Å; E7-K283 PolarHBondContact O-N 2.97Å; E7-K283 WeakPolarHBondContact OE2-CE 3.36Å; E7-K283 IonicContact OE2-NZ 3.44Å; E7-K283 PolarHBondContact OE2-NZ 2.78Å; E7-K283 VanDerWaalsContact OE2-NZ 3.1Å |
| 8 | C | 98 | Very high | 91 | Very high | 28 Ų | 28 | 69.4 Ų | 69.4 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.5 | 167.5 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | A10 Q277 F282 | C8-A10 PolarHBondContact SG-O 3.09Å; C8-Q277 HydrophobicContact CB-CG 4.42Å; C8-F282 HydrophobicContact CB-CD1 3.94Å; C8-F282 HydrophobicContact CB-CE1 3.73Å; C8-F282 HydrophobicContact CB-CZ 4.41Å |
| 9 | V | 98 | Very high | 91.4 | Very high | 23 Ų | 23 | 66 Ų | 66 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -19.1 | -171.7 | -65.8 | 0 | 0 | 0 | 0 | 113.9 | E7 W42 Y259 V281 K283 | E7-V9 HydrophobicContact CB-CG1 4.43Å; E7-V9 HydrophobicContact CG-CG1 4.02Å; E7-V9 PolarHBondContact O-N 3.21Å; V9-W42 HydrophobicContact CB-CH2 3.92Å; V9-W42 HydrophobicContact CB-CZ2 3.63Å; V9-W42 HydrophobicContact CG1-CH2 4.24Å; V9-W42 HydrophobicContact CG1-CZ2 4.26Å; V9-W42 HydrophobicContact CG2-CH2 4.09Å; V9-W42 HydrophobicContact CG2-CZ2 4.12Å; V9-W42 HydrophobicContact CG2-CZ3 4.34Å; V9-W42 PolarHBondContact O-NE1 3.06Å; V9-W42 VanDerWaalsContact O-NE1 3.17Å; V9-Y259 HydrophobicContact CG2-CD1 4.32Å; V9-Y259 HydrophobicContact CG2-CE1 4.3Å; V9-V281 HydrophobicContact CG2-CB 4.35Å; V9-V281 HydrophobicContact CG2-CG1 4.1Å; V9-V281 WeakPolarHBondContact CG2-O 3.35Å; V9-V281 PolarHBondContact N-O 3.21Å; V9-K283 HydrophobicContact CG1-CB 3.61Å; V9-K283 HydrophobicContact CG1-CD 4.36Å; V9-K283 HydrophobicContact CG2-CB 4.33Å |
| 10 | A | 95.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 133.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | C8 W42 V49 G280 V281 | C8-A10 PolarHBondContact SG-O 3.09Å; A10-W42 HydrophobicContact CB-CG 4.46Å; A10-V49 HydrophobicContact CB-CG2 4.11Å; A10-G280 CarbonylContact O-C 3.57Å; A10-G280 WeakPolarHBondContact O-CA 3.35Å; A10-V281 HydrophobicContact CB-CB 4.19Å; A10-V281 HydrophobicContact CB-CG2 4.36Å; A10-V281 PolarHBondContact N-O 3.32Å; A10-V281 PolarHBondContact O-N 3.39Å |
| 11 | S | 88.9 | Confident | 92.1 | Very high | 54 Ų | 54 | 61 Ų | 61 | 38% | 0.378 | 33% | 0.33 | S | S | . | . | trans | -143 | 60.5 | -172.2 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | N13 | S11-N13 PolarHBondContact O-N 3.33Š| ||
| 12 | E | 88.2 | Confident | 94.3 | Very high | 128 Ų | 128 | 49.6 Ų | 49.6 | 60% | 0.598 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -90.4 | 19.1 | 178 | -56.2 | -67.5 | 152 | 0 | 0 | 112.4 | Y14 V49 | E12-Y14 HydrophobicContact CB-CD1 4.39Å; E12-Y14 HydrophobicContact CB-CE1 3.66Å; E12-Y14 HydrophobicContact CB-CE2 4.31Å; E12-Y14 WeakPolarHBondContact CB-OH 3.37Å; E12-Y14 HydrophobicContact CG-CE1 4.25Å; E12-Y14 WeakPolarHBondContact CG-OH 3.38Å; E12-V49 HydrophobicContact CG-CG2 4.47Å |
| 13 | N | 84.4 | Confident | 96 | Very high | 105 Ų | 105 | 45.7 Ų | 45.7 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | trans | 51.2 | 55.7 | -175.5 | -62.1 | -30 | 0 | 0 | 0 | 112.7 | S11 K15 | S11-N13 PolarHBondContact O-N 3.33Å; N13-K15 PolarHBondContact O-N 3.17Å | ||
| 14 | Y | 95.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | trans | -59.5 | 136.6 | 177.2 | -55.7 | -60.1 | 0 | 0 | 0 | 109.8 | E12 Y31 D33 S264 G279 V281 | E12-Y14 HydrophobicContact CB-CD1 4.39Å; E12-Y14 HydrophobicContact CB-CE1 3.66Å; E12-Y14 HydrophobicContact CB-CE2 4.31Å; E12-Y14 WeakPolarHBondContact CB-OH 3.37Å; E12-Y14 HydrophobicContact CG-CE1 4.25Å; E12-Y14 WeakPolarHBondContact CG-OH 3.38Å; Y14-Y31 HydrophobicContact CD1-CE2 4.39Å; Y14-Y31 HydrophobicContact CD2-CE2 4.01Å; Y14-Y31 AromaticContact CE1-CE2 3.86Å; Y14-Y31 HydrophobicContact CE1-CE2 3.86Å; Y14-Y31 AromaticContact CE2-CE2 3.47Å; Y14-Y31 HydrophobicContact CE2-CE2 3.47Å; Y14-Y31 VanDerWaalsContact CE2-CE2 3.47Å; Y14-Y31 AromaticContact CE2-CZ 3.96Å; Y14-Y31 HydrophobicContact CG-CE2 4.49Å; Y14-Y31 AromaticContact CZ-CE2 3.4Å; Y14-Y31 VanDerWaalsContact CZ-CE2 3.4Å; Y14-Y31 AromaticContact CZ-CZ 3.79Å; Y14-Y31 VanDerWaalsContact CZ-OH 3.31Å; Y14-Y31 PolarHBondContact OH-OH 3.43Å; Y14-D33 HydrophobicContact CD1-CB 3.99Å; Y14-S264 PolarHBondContact O-N 3.33Å; Y14-S264 PolarHBondContact O-OG 2.69Å; Y14-G279 VanDerWaalsContact CB-O 3.31Å; Y14-G279 WeakPolarHBondContact CB-O 3.21Å; Y14-G279 WeakPolarHBondContact CD2-O 3.23Å; Y14-G279 PolarHBondContact N-O 2.97Å; Y14-G279 VanDerWaalsContact O-CA 3.24Å; Y14-G279 WeakPolarHBondContact O-CA 3.24Å; Y14-V281 HydrophobicContact CD2-CG2 4.26Å; Y14-V281 HydrophobicContact CE2-CG2 3.97Å | ||
| 15 | K | 96.6 | Very high | 96.4 | Very high | 100 Ų | 100 | 51.3 Ų | 51.3 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -65.9 | -53.9 | 177.5 | -69 | -172.9 | 172.6 | -170.4 | 0 | 109.5 | N13 D33 T35 A263 S264 E265 | N13-K15 PolarHBondContact O-N 3.17Å; K15-D33 WeakPolarHBondContact CB-OD1 3.32Å; K15-D33 PolarHBondContact N-OD1 3.1Å; K15-D33 PolarHBondContact N-OD2 2.71Å; K15-T35 VanDerWaalsContact CB-OG1 3.25Å; K15-T35 WeakPolarHBondContact CB-OG1 3.45Å; K15-T35 WeakPolarHBondContact CD-OG1 3.29Å; K15-A263 CarbonylContact O-C 3.56Å; K15-A263 WeakPolarHBondContact O-CA 3.2Å; K15-A263 VanDerWaalsContact O-CB 3.29Å; K15-A263 WeakPolarHBondContact O-CB 3.42Å; K15-S264 PolarHBondContact O-N 2.95Å; K15-E265 HydrophobicContact CB-CB 4.28Å; K15-E265 WeakPolarHBondContact O-CB 3.4Å; K15-E265 PolarHBondContact O-N 3.32Å |
| 16 | I | 98.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -138.5 | 88.8 | 173.2 | -53.7 | -178.1 | 0 | 0 | 0 | 107.6 | E18 D33 I34 T35 T246 A263 E265 | I16-E18 HydrophobicContact CG2-CG 4.09Å; I16-D33 PolarHBondContact N-OD1 3.37Å; I16-D33 VanDerWaalsContact O-CA 3.31Å; I16-D33 WeakPolarHBondContact O-CA 3.38Å; I16-I34 HydrophobicContact CB-CB 4.15Å; I16-I34 HydrophobicContact CB-CG1 4.33Å; I16-I34 HydrophobicContact CG2-CB 4.38Å; I16-I34 HydrophobicContact CG2-CD1 4.01Å; I16-I34 HydrophobicContact CG2-CG1 4.09Å; I16-I34 PolarHBondContact O-N 2.98Å; I16-T35 HydrophobicContact CD1-CG2 3.99Å; I16-T246 HydrophobicContact CG2-CG2 4.42Å; I16-A263 HydrophobicContact CB-CB 4.43Å; I16-A263 HydrophobicContact CG1-CB 4.31Å; I16-A263 HydrophobicContact CG2-CB 4.41Å; I16-E265 HydrophobicContact CG1-CB 4.01Å |
| 17 | G | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 129.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V32 T246 T261 S262 | G17-V32 CarbonylContact C-O 3.54Å; G17-V32 VanDerWaalsContact CA-O 3.28Å; G17-V32 WeakPolarHBondContact CA-O 3.31Å; G17-T246 WeakPolarHBondContact O-CB 3.44Å; G17-T246 PolarHBondContact O-OG1 2.73Å; G17-T261 WeakPolarHBondContact O-CB 3.19Å; G17-T261 PolarHBondContact O-OG1 2.9Å; G17-S262 WeakPolarHBondContact CA-O 3.45Å; G17-S262 PolarHBondContact N-O 2.64Å |
| 18 | E | 98.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 173.5 | -174.2 | -104.3 | -61.6 | 166.4 | 0 | 0 | 113.1 | I16 Y31 V32 I34 T246 S247 | I16-E18 HydrophobicContact CG2-CG 4.09Å; E18-Y31 CarbonylContact O-C 3.45Å; E18-Y31 WeakPolarHBondContact O-CA 3.49Å; E18-Y31 VanDerWaalsContact O-CB 3.24Å; E18-Y31 WeakPolarHBondContact O-CB 3.37Å; E18-V32 HydrophobicContact CB-CG2 3.68Å; E18-V32 PolarHBondContact N-O 3.24Å; E18-V32 PolarHBondContact O-N 3.31Å; E18-I34 HydrophobicContact CB-CD1 3.78Å; E18-I34 HydrophobicContact CB-CG1 3.91Å; E18-I34 HydrophobicContact CG-CD1 3.74Å; E18-I34 HydrophobicContact CG-CG1 4.33Å; E18-T246 VanDerWaalsContact OE1-C 3.32Å; E18-T246 VanDerWaalsContact OE1-CB 3.26Å; E18-T246 WeakPolarHBondContact OE1-CB 3.36Å; E18-S247 WeakPolarHBondContact OE2-CB 3.34Å |
| 19 | S | 98.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.7 | 54.3 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 113.8 | V21 Y31 S60 V61 | S19-V21 PolarHBondContact O-N 3.45Å; S19-Y31 WeakPolarHBondContact O-CA 3.39Å; S19-S60 WeakPolarHBondContact OG-CA 3.49Å; S19-S60 WeakPolarHBondContact OG-CB 3.48Å; S19-V61 PolarHBondContact OG-N 3.45Å; S19-V61 PolarHBondContact OG-O 3.49Å |
| 20 | P | 98.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 126.4 | 175.9 | 28.8 | -33.7 | 0 | 0 | 0 | 110.9 | L29 L30 S247 C249 T261 | P20-L29 HydrophobicContact CB-CD1 4.16Å; P20-L30 CarbonylContact C-O 3.52Å; P20-L30 WeakPolarHBondContact CA-O 3.46Å; P20-S247 WeakPolarHBondContact CD-OG 3.46Å; P20-C249 HydrophobicContact CB-CB 4.19Å; P20-C249 HydrophobicContact CG-CB 4.11Å; P20-C249 WeakPolarHBondContact O-CB 3.36Å; P20-C249 PolarHBondContact O-SG 3.36Å; P20-T261 HydrophobicContact CB-CG2 4Å; P20-T261 HydrophobicContact CG-CG2 4.11Å |
| 21 | V | 98.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 125.4 | 177.9 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | S19 L30 V61 L63 P294 | S19-V21 PolarHBondContact O-N 3.45Å; V21-L30 HydrophobicContact CB-CB 4.3Å; V21-L30 PolarHBondContact N-O 3.49Å; V21-L30 PolarHBondContact O-N 2.79Å; V21-V61 VanDerWaalsContact CG2-O 3.26Å; V21-V61 WeakPolarHBondContact CG2-O 3.47Å; V21-L63 HydrophobicContact CG1-CG 4.15Å; V21-P294 HydrophobicContact CG1-CB 4.05Å; V21-P294 HydrophobicContact CG1-CG 3.92Å |
| 22 | W | 98.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.6 | 177.4 | -175.7 | -108.8 | 0 | 0 | 0 | 112.1 | N27 L29 S44 F250 Y255 Y259 P294 | W22-N27 HydrophobicContact CZ2-CB 4.47Å; W22-L29 HydrophobicContact CE3-CB 4.22Å; W22-L29 HydrophobicContact CE3-CD1 4.35Å; W22-L29 HydrophobicContact CZ3-CB 4.37Å; W22-S44 WeakPolarHBondContact CH2-OG 3.44Å; W22-F250 WeakPolarHBondContact CB-O 3.38Å; W22-Y255 HydrophobicContact CB-CE1 4.25Å; W22-Y255 AromaticContact CD1-CE1 3.51Å; W22-Y255 AromaticContact CD1-CZ 3.87Å; W22-Y255 HydrophobicContact CG-CE1 4.23Å; W22-Y259 HydrophobicContact CD2-CE2 4.5Å; W22-Y259 HydrophobicContact CE3-CD2 4.4Å; W22-Y259 AromaticContact CE3-CE2 3.72Å; W22-Y259 HydrophobicContact CE3-CE2 3.72Å; W22-Y259 AromaticContact CZ3-CE2 3.78Å; W22-Y259 HydrophobicContact CZ3-CE2 3.78Å; W22-Y259 AromaticContact CZ3-CZ 3.82Å; W22-Y259 WeakPolarHBondContact CZ3-OH 3.27Å; W22-P294 VanDerWaalsContact O-CG 3.31Å; W22-P294 WeakPolarHBondContact O-CG 3.34Å |
| 23 | D | 98.3 | Very high | 97.4 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.08 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 99 | 167.4 | -171.5 | -15.7 | 0 | 0 | 0 | 109.5 | K25 E26 N27 S28 L30 L63 | D23-K25 VanDerWaalsContact C-N 3.26Å; D23-K25 PolarHBondContact O-N 3.13Å; D23-K25 WeakPolarHBondContact OD1-CB 3.29Å; D23-K25 PolarHBondContact OD1-N 3.41Å; D23-E26 HydrophobicContact CB-CB 4.44Å; D23-E26 PolarHBondContact O-N 3.03Å; D23-E26 PolarHBondContact OD1-N 2.86Å; D23-N27 WeakPolarHBondContact O-CA 3.33Å; D23-N27 PolarHBondContact O-N 3.42Å; D23-S28 PolarHBondContact N-O 2.72Å; D23-S28 PolarHBondContact O-N 2.82Å; D23-L30 HydrophobicContact CB-CD1 4.46Å; D23-L63 HydrophobicContact CB-CD2 4.07Å |
| 24 | E | 97.5 | Very high | 98.1 | Very high | 105 Ų | 105 | 30.7 Ų | 30.7 | 49% | 0.491 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -27.2 | -179.9 | 64.9 | 176.6 | 162.7 | 0 | 0 | 113.3 | E26 N27 | E24-E26 VanDerWaalsContact C-N 3.32Å; E24-E26 PolarHBondContact O-N 2.7Å; E24-N27 PolarHBondContact O-N 2.92Å |
| 25 | K | 96.1 | Very high | 98.2 | Very high | 178 Ų | 178 | 32.1 Ų | 32.1 | 77% | 0.774 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -38.9 | -179.2 | -63.8 | 178.2 | -179.7 | 173.9 | 0 | 110.6 | D23 | D23-K25 VanDerWaalsContact C-N 3.26Å; D23-K25 PolarHBondContact O-N 3.13Å; D23-K25 WeakPolarHBondContact OD1-CB 3.29Å; D23-K25 PolarHBondContact OD1-N 3.41Å |
| 26 | E | 96 | Very high | 98.2 | Very high | 104 Ų | 104 | 28.4 Ų | 28.4 | 49% | 0.486 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -0.6 | -178.7 | -63.6 | -68.2 | 156.1 | 0 | 0 | 112.8 | D23 E24 S28 N43 | D23-E26 HydrophobicContact CB-CB 4.44Å; D23-E26 PolarHBondContact O-N 3.03Å; D23-E26 PolarHBondContact OD1-N 2.86Å; E24-E26 VanDerWaalsContact C-N 3.32Å; E24-E26 PolarHBondContact O-N 2.7Å; E26-S28 PolarHBondContact O-N 2.75Å; E26-S28 PolarHBondContact O-OG 3.44Å; E26-N43 PolarHBondContact O-ND2 3.34Å; E26-N43 VanDerWaalsContact O-ND2 3.13Å |
| 27 | N | 97.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 31.5 Ų | 31.5 | 34% | 0.337 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 42.8 | -171.5 | -71 | -90.3 | 0 | 0 | 0 | 112.2 | W22 D23 E24 S44 L45 | W22-N27 HydrophobicContact CZ2-CB 4.47Å; D23-N27 WeakPolarHBondContact O-CA 3.33Å; D23-N27 PolarHBondContact O-N 3.42Å; E24-N27 PolarHBondContact O-N 2.92Å; N27-S44 VanDerWaalsContact O-CB 3.31Å; N27-S44 WeakPolarHBondContact O-CB 3.39Å; N27-S44 PolarHBondContact O-N 3.32Å; N27-S44 PolarHBondContact O-OG 3.02Å; N27-L45 HydrophobicContact CB-CD1 4.16Å; N27-L45 HydrophobicContact CB-CG 4.12Å |
| 28 | S | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.5 | -168.7 | -64 | 0 | 0 | 0 | 0 | 111.5 | D23 E26 W42 N43 | D23-S28 PolarHBondContact N-O 2.72Å; D23-S28 PolarHBondContact O-N 2.82Å; E26-S28 PolarHBondContact O-N 2.75Å; E26-S28 PolarHBondContact O-OG 3.44Å; S28-W42 CarbonylContact C-O 3.53Å; S28-W42 WeakPolarHBondContact CA-O 3.17Å; S28-W42 WeakPolarHBondContact CB-O 3.45Å; S28-N43 PolarHBondContact OG-ND2 3.37Å |
| 29 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.2 | 169.9 | -173.3 | 74.2 | 0 | 0 | 0 | 108.8 | P20 W22 Y31 K41 W42 Y259 V281 | P20-L29 HydrophobicContact CB-CD1 4.16Å; W22-L29 HydrophobicContact CE3-CB 4.22Å; W22-L29 HydrophobicContact CE3-CD1 4.35Å; W22-L29 HydrophobicContact CZ3-CB 4.37Å; L29-Y31 HydrophobicContact CD2-CD1 4.06Å; L29-Y31 HydrophobicContact CD2-CE1 4.47Å; L29-Y31 HydrophobicContact CG-CD1 4.09Å; L29-K41 CarbonylContact O-C 3.46Å; L29-K41 WeakPolarHBondContact O-CA 3.42Å; L29-W42 HydrophobicContact CB-CE3 3.91Å; L29-W42 PolarHBondContact N-O 2.9Å; L29-W42 PolarHBondContact O-N 2.92Å; L29-Y259 HydrophobicContact CD1-CD2 3.92Å; L29-Y259 HydrophobicContact CD1-CG 3.89Å; L29-Y259 HydrophobicContact CD2-CD1 3.85Å; L29-Y259 HydrophobicContact CD2-CG 3.85Å; L29-Y259 HydrophobicContact CG-CG 4.45Å; L29-V281 HydrophobicContact CD2-CG1 3.6Å |
| 30 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 146.1 | 165.1 | -66.1 | 159.5 | 0 | 0 | 0 | 109.1 | P20 V21 D23 C40 K41 V61 L63 Y69 W82 | P20-L30 CarbonylContact C-O 3.52Å; P20-L30 WeakPolarHBondContact CA-O 3.46Å; V21-L30 HydrophobicContact CB-CB 4.3Å; V21-L30 PolarHBondContact N-O 3.49Å; V21-L30 PolarHBondContact O-N 2.79Å; D23-L30 HydrophobicContact CB-CD1 4.46Å; L30-C40 WeakPolarHBondContact CA-O 3.31Å; L30-K41 HydrophobicContact CD2-CB 3.92Å; L30-K41 HydrophobicContact CD2-CD 4.09Å; L30-K41 HydrophobicContact CD2-CG 3.9Å; L30-V61 HydrophobicContact CB-CG1 4.02Å; L30-L63 HydrophobicContact CD1-CD2 3.59Å; L30-Y69 HydrophobicContact CD1-CD1 3.68Å; L30-Y69 HydrophobicContact CD1-CE1 3.29Å; L30-Y69 HydrophobicContact CD2-CE1 4.06Å; L30-Y69 HydrophobicContact CD2-CE2 4.09Å; L30-Y69 HydrophobicContact CG-CE1 4.28Å; L30-W82 HydrophobicContact CD2-CZ3 4.48Å |
| 31 | Y | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 173.6 | 173.3 | 54.4 | -81.1 | 0 | 0 | 0 | 108.3 | Y14 E18 S19 L29 C40 W42 V281 | Y14-Y31 HydrophobicContact CD1-CE2 4.39Å; Y14-Y31 HydrophobicContact CD2-CE2 4.01Å; Y14-Y31 AromaticContact CE1-CE2 3.86Å; Y14-Y31 HydrophobicContact CE1-CE2 3.86Å; Y14-Y31 AromaticContact CE2-CE2 3.47Å; Y14-Y31 HydrophobicContact CE2-CE2 3.47Å; Y14-Y31 VanDerWaalsContact CE2-CE2 3.47Å; Y14-Y31 AromaticContact CE2-CZ 3.96Å; Y14-Y31 HydrophobicContact CG-CE2 4.49Å; Y14-Y31 AromaticContact CZ-CE2 3.4Å; Y14-Y31 VanDerWaalsContact CZ-CE2 3.4Å; Y14-Y31 AromaticContact CZ-CZ 3.79Å; Y14-Y31 VanDerWaalsContact CZ-OH 3.31Å; Y14-Y31 PolarHBondContact OH-OH 3.43Å; E18-Y31 CarbonylContact O-C 3.45Å; E18-Y31 WeakPolarHBondContact O-CA 3.49Å; E18-Y31 VanDerWaalsContact O-CB 3.24Å; E18-Y31 WeakPolarHBondContact O-CB 3.37Å; S19-Y31 WeakPolarHBondContact O-CA 3.39Å; L29-Y31 HydrophobicContact CD2-CD1 4.06Å; L29-Y31 HydrophobicContact CD2-CE1 4.47Å; L29-Y31 HydrophobicContact CG-CD1 4.09Å; Y31-C40 HydrophobicContact CD1-CB 4.2Å; Y31-C40 HydrophobicContact CD2-CB 3.63Å; Y31-C40 HydrophobicContact CE1-CB 3.87Å; Y31-C40 HydrophobicContact CE2-CB 3.27Å; Y31-C40 HydrophobicContact CG-CB 4.08Å; Y31-C40 VanDerWaalsContact CZ-CB 3.4Å; Y31-C40 PolarHBondContact N-O 3.41Å; Y31-C40 VanDerWaalsContact N-O 3.09Å; Y31-C40 PolarHBondContact O-N 3.43Å; Y31-W42 HydrophobicContact CE1-CB 3.86Å; Y31-V281 HydrophobicContact CD2-CG2 4.32Å; Y31-V281 HydrophobicContact CE1-CG2 4.46Å; Y31-V281 HydrophobicContact CE2-CG2 4.06Å |
| 32 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 158.9 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | G17 E18 I34 K38 V39 V58 S59 V61 | G17-V32 CarbonylContact C-O 3.54Å; G17-V32 VanDerWaalsContact CA-O 3.28Å; G17-V32 WeakPolarHBondContact CA-O 3.31Å; E18-V32 HydrophobicContact CB-CG2 3.68Å; E18-V32 PolarHBondContact N-O 3.24Å; E18-V32 PolarHBondContact O-N 3.31Å; V32-I34 HydrophobicContact CG2-CG1 3.94Å; V32-K38 CarbonylContact C-O 3.58Å; V32-K38 VanDerWaalsContact CA-O 3.29Å; V32-K38 WeakPolarHBondContact CA-O 3.4Å; V32-V39 HydrophobicContact CG1-CG2 4.44Å; V32-V58 HydrophobicContact CB-CG1 4.26Å; V32-V58 WeakPolarHBondContact CB-O 3.49Å; V32-V58 HydrophobicContact CG1-CG1 4.35Å; V32-V58 HydrophobicContact CG1-CG2 3.97Å; V32-V58 WeakPolarHBondContact CG2-O 3.45Å; V32-S59 WeakPolarHBondContact CG2-O 3.37Å; V32-V61 HydrophobicContact CG1-CB 4.14Å; V32-V61 HydrophobicContact CG1-CG1 3.97Å |
| 33 | D | 98.7 | Very high | 98.2 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 104.1 | 158.5 | -177.4 | 1.6 | 0 | 0 | 0 | 107.3 | Y14 K15 I16 G36 K37 K38 | Y14-D33 HydrophobicContact CD1-CB 3.99Å; K15-D33 WeakPolarHBondContact CB-OD1 3.32Å; K15-D33 PolarHBondContact N-OD1 3.1Å; K15-D33 PolarHBondContact N-OD2 2.71Å; I16-D33 PolarHBondContact N-OD1 3.37Å; I16-D33 VanDerWaalsContact O-CA 3.31Å; I16-D33 WeakPolarHBondContact O-CA 3.38Å; D33-G36 CarbonylContact O-C 3.57Å; D33-G36 PolarHBondContact O-N 3.28Å; D33-G36 PolarHBondContact OD1-N 2.93Å; D33-K37 PolarHBondContact O-N 2.93Å; D33-K38 HydrophobicContact CB-CB 4.34Å; D33-K38 PolarHBondContact N-O 3.04Å; D33-K38 PolarHBondContact O-N 3.13Å; D33-K38 VanDerWaalsContact O-N 3.15Å |
| 34 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -65.1 | -164.2 | -56.6 | -168.8 | 0 | 0 | 0 | 111.2 | I16 E18 V32 G36 K37 P57 V58 | I16-I34 HydrophobicContact CB-CB 4.15Å; I16-I34 HydrophobicContact CB-CG1 4.33Å; I16-I34 HydrophobicContact CG2-CB 4.38Å; I16-I34 HydrophobicContact CG2-CD1 4.01Å; I16-I34 HydrophobicContact CG2-CG1 4.09Å; I16-I34 PolarHBondContact O-N 2.98Å; E18-I34 HydrophobicContact CB-CD1 3.78Å; E18-I34 HydrophobicContact CB-CG1 3.91Å; E18-I34 HydrophobicContact CG-CD1 3.74Å; E18-I34 HydrophobicContact CG-CG1 4.33Å; V32-I34 HydrophobicContact CG2-CG1 3.94Å; I34-G36 VanDerWaalsContact C-N 3.28Å; I34-G36 PolarHBondContact O-N 2.81Å; I34-K37 PolarHBondContact O-N 3.21Å; I34-K37 VanDerWaalsContact O-N 3.14Å; I34-P57 HydrophobicContact CG2-CB 3.96Å; I34-P57 VanDerWaalsContact O-CA 3.28Å; I34-P57 WeakPolarHBondContact O-CA 3.36Å; I34-V58 WeakPolarHBondContact CA-O 3.37Å |
| 35 | T | 97.1 | Very high | 98.1 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -13.7 | -179.6 | 61 | 0 | 0 | 0 | 0 | 112.2 | K15 I16 E265 | K15-T35 VanDerWaalsContact CB-OG1 3.25Å; K15-T35 WeakPolarHBondContact CB-OG1 3.45Å; K15-T35 WeakPolarHBondContact CD-OG1 3.29Å; I16-T35 HydrophobicContact CD1-CG2 3.99Å; T35-E265 WeakPolarHBondContact CB-OE1 3.38Å; T35-E265 PolarHBondContact OG1-OE1 2.81Å |
| 36 | G | 97.8 | Very high | 98.2 | Very high | 22 Ų | 22 | 33 Ų | 33 | 23% | 0.227 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -12.4 | 165 | 0 | 0 | 0 | 0 | 0 | 114.1 | D33 I34 | D33-G36 CarbonylContact O-C 3.57Å; D33-G36 PolarHBondContact O-N 3.28Å; D33-G36 PolarHBondContact OD1-N 2.93Å; I34-G36 VanDerWaalsContact C-N 3.28Å; I34-G36 PolarHBondContact O-N 2.81Å |
| 37 | K | 98.5 | Very high | 98.2 | Very high | 84 Ų | 84 | 33.7 Ų | 33.7 | 37% | 0.365 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 48.4 | 179.1 | -53.1 | -175 | 178 | -172.1 | 0 | 113.1 | D33 I34 S53 V54 D55 | D33-K37 PolarHBondContact O-N 2.93Å; I34-K37 PolarHBondContact O-N 3.21Å; I34-K37 VanDerWaalsContact O-N 3.14Å; K37-S53 WeakPolarHBondContact O-CA 3.45Å; K37-V54 HydrophobicContact CB-CG2 4.21Å; K37-V54 WeakPolarHBondContact O-CG2 3.5Å; K37-V54 PolarHBondContact O-N 2.78Å; K37-D55 PolarHBondContact NZ-O 2.88Å; K37-D55 VanDerWaalsContact NZ-O 3.08Å |
| 38 | K | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 36% | 0.357 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.7 | -179.1 | -68.1 | 170.7 | -174.3 | 175 | 0 | 112.2 | V32 D33 A51 I52 V58 | V32-K38 CarbonylContact C-O 3.58Å; V32-K38 VanDerWaalsContact CA-O 3.29Å; V32-K38 WeakPolarHBondContact CA-O 3.4Å; D33-K38 HydrophobicContact CB-CB 4.34Å; D33-K38 PolarHBondContact N-O 3.04Å; D33-K38 PolarHBondContact O-N 3.13Å; D33-K38 VanDerWaalsContact O-N 3.15Å; K38-A51 HydrophobicContact CB-CB 4.47Å; K38-A51 HydrophobicContact CD-CB 4.28Å; K38-I52 VanDerWaalsContact CA-O 3.3Å; K38-I52 WeakPolarHBondContact CA-O 3.4Å; K38-V58 WeakPolarHBondContact O-CG1 3.3Å |
| 39 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.6 | 159.5 | -171.4 | 0 | 0 | 0 | 0 | 107.5 | V32 A51 I52 V58 V61 I71 L80 W82 | V32-V39 HydrophobicContact CG1-CG2 4.44Å; V39-A51 CarbonylContact O-C 3.53Å; V39-A51 VanDerWaalsContact O-CA 3.28Å; V39-A51 WeakPolarHBondContact O-CA 3.47Å; V39-I52 PolarHBondContact N-O 2.95Å; V39-I52 PolarHBondContact O-N 2.55Å; V39-V58 HydrophobicContact CG2-CB 4.47Å; V39-V58 HydrophobicContact CG2-CG1 4.07Å; V39-V58 HydrophobicContact CG2-CG2 3.74Å; V39-V61 HydrophobicContact CG1-CB 4.18Å; V39-V61 HydrophobicContact CG1-CG1 4.41Å; V39-V61 HydrophobicContact CG1-CG2 3.94Å; V39-I71 HydrophobicContact CG2-CG2 4.22Å; V39-L80 HydrophobicContact CB-CD2 3.99Å; V39-L80 HydrophobicContact CG1-CD2 3.98Å; V39-L80 HydrophobicContact CG2-CD2 3.92Å; V39-W82 HydrophobicContact CB-CZ3 4.33Å; V39-W82 HydrophobicContact CG1-CZ3 3.97Å |
| 40 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 150.1 | -173.5 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | L30 Y31 Q50 | L30-C40 WeakPolarHBondContact CA-O 3.31Å; Y31-C40 HydrophobicContact CD1-CB 4.2Å; Y31-C40 HydrophobicContact CD2-CB 3.63Å; Y31-C40 HydrophobicContact CE1-CB 3.87Å; Y31-C40 HydrophobicContact CE2-CB 3.27Å; Y31-C40 HydrophobicContact CG-CB 4.08Å; Y31-C40 VanDerWaalsContact CZ-CB 3.4Å; Y31-C40 PolarHBondContact N-O 3.41Å; Y31-C40 VanDerWaalsContact N-O 3.09Å; Y31-C40 PolarHBondContact O-N 3.43Å; C40-Q50 CarbonylContact C-O 3.55Å; C40-Q50 WeakPolarHBondContact CA-O 3.49Å |
| 41 | K | 98.4 | Very high | 98.1 | Very high | 25 Ų | 25 | 46 Ų | 46 | 11% | 0.109 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 110.9 | 173.3 | -171.4 | 175.9 | 68 | 174.5 | 0 | 109.1 | L29 L30 Q50 W82 | L29-K41 CarbonylContact O-C 3.46Å; L29-K41 WeakPolarHBondContact O-CA 3.42Å; L30-K41 HydrophobicContact CD2-CB 3.92Å; L30-K41 HydrophobicContact CD2-CD 4.09Å; L30-K41 HydrophobicContact CD2-CG 3.9Å; K41-Q50 PolarHBondContact N-O 3.47Å; K41-Q50 PolarHBondContact O-N 3.3Å; K41-W82 HydrophobicContact CB-CH2 3.48Å; K41-W82 VanDerWaalsContact CB-CH2 3.48Å; K41-W82 HydrophobicContact CB-CZ2 3.5Å; K41-W82 VanDerWaalsContact CB-CZ2 3.5Å; K41-W82 HydrophobicContact CB-CZ3 4.36Å; K41-W82 HydrophobicContact CD-CZ2 4.19Å; K41-W82 HydrophobicContact CG-CZ2 4.46Å |
| 42 | W | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120.9 | 174 | 172.1 | 78.2 | 0 | 0 | 0 | 109.8 | V9 A10 S28 L29 Y31 K47 V49 Y259 | V9-W42 HydrophobicContact CB-CH2 3.92Å; V9-W42 HydrophobicContact CB-CZ2 3.63Å; V9-W42 HydrophobicContact CG1-CH2 4.24Å; V9-W42 HydrophobicContact CG1-CZ2 4.26Å; V9-W42 HydrophobicContact CG2-CH2 4.09Å; V9-W42 HydrophobicContact CG2-CZ2 4.12Å; V9-W42 HydrophobicContact CG2-CZ3 4.34Å; V9-W42 PolarHBondContact O-NE1 3.06Å; V9-W42 VanDerWaalsContact O-NE1 3.17Å; A10-W42 HydrophobicContact CB-CG 4.46Å; S28-W42 CarbonylContact C-O 3.53Å; S28-W42 WeakPolarHBondContact CA-O 3.17Å; S28-W42 WeakPolarHBondContact CB-O 3.45Å; L29-W42 HydrophobicContact CB-CE3 3.91Å; L29-W42 PolarHBondContact N-O 2.9Å; L29-W42 PolarHBondContact O-N 2.92Å; Y31-W42 HydrophobicContact CE1-CB 3.86Å; W42-K47 HydrophobicContact CZ2-CD 4.05Å; W42-V49 HydrophobicContact CB-CG2 4.22Å; W42-V49 HydrophobicContact CG-CG2 4.39Å; W42-Y259 HydrophobicContact CE3-CE1 4.35Å; W42-Y259 HydrophobicContact CH2-CE1 4.08Å; W42-Y259 HydrophobicContact CZ3-CD1 4.47Å; W42-Y259 AromaticContact CZ3-CE1 3.5Å; W42-Y259 HydrophobicContact CZ3-CE1 3.5Å; W42-Y259 VanDerWaalsContact CZ3-CE1 3.5Å; W42-Y259 AromaticContact CZ3-CZ 3.85Å |
| 43 | N | 98.3 | Very high | 98 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.7 | 176.7 | -175.4 | -76.6 | 0 | 0 | 0 | 110.4 | E26 S28 L45 T46 K47 Q48 | E26-N43 PolarHBondContact O-ND2 3.34Å; E26-N43 VanDerWaalsContact O-ND2 3.13Å; S28-N43 PolarHBondContact OG-ND2 3.37Å; N43-L45 VanDerWaalsContact C-N 3.25Å; N43-L45 PolarHBondContact O-N 2.93Å; N43-L45 WeakPolarHBondContact OD1-CA 3.36Å; N43-L45 WeakPolarHBondContact OD1-CB 3.39Å; N43-L45 PolarHBondContact OD1-N 3.17Å; N43-T46 WeakPolarHBondContact CB-OG1 3.47Å; N43-T46 PolarHBondContact OD1-N 3.27Å; N43-T46 PolarHBondContact OD1-OG1 2.69Å; N43-K47 WeakPolarHBondContact O-CA 3.3Å; N43-K47 PolarHBondContact O-N 2.77Å; N43-Q48 PolarHBondContact N-O 3.2Å |
| 44 | S | 97.6 | Very high | 98 | Very high | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -17.1 | -174 | 71.1 | 0 | 0 | 0 | 0 | 113.9 | W22 N27 K47 | W22-S44 WeakPolarHBondContact CH2-OG 3.44Å; N27-S44 VanDerWaalsContact O-CB 3.31Å; N27-S44 WeakPolarHBondContact O-CB 3.39Å; N27-S44 PolarHBondContact O-N 3.32Å; N27-S44 PolarHBondContact O-OG 3.02Å; S44-K47 WeakPolarHBondContact O-CD 3.2Å; S44-K47 WeakPolarHBondContact O-CE 3.46Å; S44-K47 PolarHBondContact O-NZ 2.88Å |
| 45 | L | 96.8 | Very high | 98 | Very high | 126 Ų | 126 | 56 Ų | 56 | 66% | 0.66 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -51.4 | 178.8 | -55.8 | 179.4 | 0 | 0 | 0 | 111 | N27 N43 | N27-L45 HydrophobicContact CB-CD1 4.16Å; N27-L45 HydrophobicContact CB-CG 4.12Å; N43-L45 VanDerWaalsContact C-N 3.25Å; N43-L45 PolarHBondContact O-N 2.93Å; N43-L45 WeakPolarHBondContact OD1-CA 3.36Å; N43-L45 WeakPolarHBondContact OD1-CB 3.39Å; N43-L45 PolarHBondContact OD1-N 3.17Å |
| 46 | T | 97.4 | Very high | 98 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -14.7 | -178.2 | 68.6 | 0 | 0 | 0 | 0 | 113.3 | N43 Q48 | N43-T46 WeakPolarHBondContact CB-OG1 3.47Å; N43-T46 PolarHBondContact OD1-N 3.27Å; N43-T46 PolarHBondContact OD1-OG1 2.69Å; T46-Q48 PolarHBondContact O-N 3.13Å; T46-Q48 PolarHBondContact OG1-N 3.1Å |
| 47 | K | 97 | Very high | 98 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 52% | 0.517 | 30% | 0.298 | S | S | . | . | trans | 62.5 | 13.5 | -175 | -45.8 | -58.2 | -178.6 | -178.5 | 0 | 114.1 | W42 N43 S44 | W42-K47 HydrophobicContact CZ2-CD 4.05Å; N43-K47 WeakPolarHBondContact O-CA 3.3Å; N43-K47 PolarHBondContact O-N 2.77Å; S44-K47 WeakPolarHBondContact O-CD 3.2Å; S44-K47 WeakPolarHBondContact O-CE 3.46Å; S44-K47 PolarHBondContact O-NZ 2.88Å | ||
| 48 | Q | 97.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 51.3 Ų | 51.3 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | trans | -88.1 | 142.1 | -179.7 | -64 | -61.5 | -43.1 | 0 | 0 | 111.1 | N43 T46 | N43-Q48 PolarHBondContact N-O 3.2Å; T46-Q48 PolarHBondContact O-N 3.13Å; T46-Q48 PolarHBondContact OG1-N 3.1Å | ||
| 49 | V | 98 | Very high | 98.1 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.3 | 169.9 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | A10 E12 W42 | A10-V49 HydrophobicContact CB-CG2 4.11Å; E12-V49 HydrophobicContact CG-CG2 4.47Å; W42-V49 HydrophobicContact CB-CG2 4.22Å; W42-V49 HydrophobicContact CG-CG2 4.39Å |
| 50 | Q | 97.6 | Very high | 98.1 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.6 | 164.8 | -67.4 | 177.5 | -15.9 | 0 | 0 | 108.6 | C40 K41 W82 | C40-Q50 CarbonylContact C-O 3.55Å; C40-Q50 WeakPolarHBondContact CA-O 3.49Å; K41-Q50 PolarHBondContact N-O 3.47Å; K41-Q50 PolarHBondContact O-N 3.3Å; Q50-W82 HydrophobicContact CB-CZ2 3.82Å |
| 51 | A | 97.9 | Very high | 98.1 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 144.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K38 V39 | K38-A51 HydrophobicContact CB-CB 4.47Å; K38-A51 HydrophobicContact CD-CB 4.28Å; V39-A51 CarbonylContact O-C 3.53Å; V39-A51 VanDerWaalsContact O-CA 3.28Å; V39-A51 WeakPolarHBondContact O-CA 3.47Å |
| 52 | I | 98.3 | Very high | 98.1 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.7 | 171.8 | -61.4 | 176.8 | 0 | 0 | 0 | 107.6 | K38 V39 L80 W82 Q85 | K38-I52 VanDerWaalsContact CA-O 3.3Å; K38-I52 WeakPolarHBondContact CA-O 3.4Å; V39-I52 PolarHBondContact N-O 2.95Å; V39-I52 PolarHBondContact O-N 2.55Å; I52-L80 HydrophobicContact CD1-CD1 4.14Å; I52-L80 HydrophobicContact CG2-CD1 4.37Å; I52-W82 HydrophobicContact CD1-CD2 3.61Å; I52-W82 HydrophobicContact CD1-CE3 3.41Å; I52-W82 VanDerWaalsContact CD1-CE3 3.41Å; I52-W82 HydrophobicContact CD1-CG 4.14Å; I52-W82 HydrophobicContact CD1-CH2 4.27Å; I52-W82 HydrophobicContact CD1-CZ2 4.42Å; I52-W82 HydrophobicContact CD1-CZ3 3.78Å; I52-W82 WeakPolarHBondContact CD1-O 3.44Å; I52-W82 HydrophobicContact CG1-CD2 4.46Å; I52-W82 HydrophobicContact CG1-CE3 4.22Å; I52-W82 HydrophobicContact CG1-CH2 4.2Å; I52-W82 HydrophobicContact CG1-CZ2 4.43Å; I52-W82 HydrophobicContact CG1-CZ3 4.1Å; I52-Q85 HydrophobicContact CD1-CB 4.39Å; I52-Q85 HydrophobicContact CD1-CG 4Å; I52-Q85 HydrophobicContact CG1-CG 4.11Å; I52-Q85 HydrophobicContact CG2-CB 4.14Å; I52-Q85 HydrophobicContact CG2-CG 4.47Å |
| 53 | S | 98.3 | Very high | 98.1 | Very high | 90 Ų | 90 | 47.7 Ų | 47.7 | 63% | 0.629 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 141.3 | 172.8 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | K37 | K37-S53 WeakPolarHBondContact O-CA 3.45Å |
| 54 | V | 98.5 | Very high | 98.1 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | trans | -126 | 169.6 | 178.3 | -65 | 0 | 0 | 0 | 0 | 111 | K37 A56 V58 L73 V87 | K37-V54 HydrophobicContact CB-CG2 4.21Å; K37-V54 WeakPolarHBondContact O-CG2 3.5Å; K37-V54 PolarHBondContact O-N 2.78Å; V54-A56 WeakPolarHBondContact CG2-O 3.31Å; V54-V58 HydrophobicContact CG2-CB 3.86Å; V54-V58 HydrophobicContact CG2-CG1 3.62Å; V54-L73 HydrophobicContact CB-CD1 3.98Å; V54-L73 HydrophobicContact CB-CD2 4.31Å; V54-L73 HydrophobicContact CG2-CD1 3.64Å; V54-V87 HydrophobicContact CG1-CG2 3.89Å | ||
| 55 | D | 97.9 | Very high | 98.1 | Very high | 107 Ų | 107 | 54.5 Ų | 54.5 | 57% | 0.572 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -82.8 | -21.8 | -169.3 | 58.3 | 3.5 | 0 | 0 | 0 | 114.5 | K37 L73 R76 | K37-D55 PolarHBondContact NZ-O 2.88Å; K37-D55 VanDerWaalsContact NZ-O 3.08Å; D55-L73 WeakPolarHBondContact OD1-CD2 3.21Å; D55-R76 IonicContact OD1-CZ 3.82Å; D55-R76 IonicContact OD1-NH2 2.71Å; D55-R76 PolarHBondContact OD1-NH2 2.59Å; D55-R76 IonicContact OD2-CZ 2.7Å; D55-R76 IonicContact OD2-NH2 3.14Å; D55-R76 PolarHBondContact OD2-NH2 2.8Å |
| 56 | A | 97.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -131.7 | 170.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V54 V58 L73 | V54-A56 WeakPolarHBondContact CG2-O 3.31Å; A56-V58 PolarHBondContact O-N 2.99Å; A56-L73 HydrophobicContact CB-CD1 3.71Å; A56-L73 HydrophobicContact CB-CG 4.13Å; A56-L73 WeakPolarHBondContact O-CD1 3.5Å |
| 57 | P | 98.5 | Very high | 97.6 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 14% | 0.143 | 28% | 0.281 | C | S | . | . | trans | -55.7 | 127.9 | 171.1 | -26.2 | 36.7 | 0 | 0 | 0 | 111.5 | I34 L73 G74 | I34-P57 HydrophobicContact CG2-CB 3.96Å; I34-P57 VanDerWaalsContact O-CA 3.28Å; I34-P57 WeakPolarHBondContact O-CA 3.36Å; P57-L73 CarbonylContact O-C 3.5Å; P57-L73 WeakPolarHBondContact O-CA 3.35Å; P57-G74 PolarHBondContact O-N 2.84Å | ||
| 58 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.2 | 178.4 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | V32 I34 K38 V39 V54 A56 I71 T72 L73 | V32-V58 HydrophobicContact CB-CG1 4.26Å; V32-V58 WeakPolarHBondContact CB-O 3.49Å; V32-V58 HydrophobicContact CG1-CG1 4.35Å; V32-V58 HydrophobicContact CG1-CG2 3.97Å; V32-V58 WeakPolarHBondContact CG2-O 3.45Å; I34-V58 WeakPolarHBondContact CA-O 3.37Å; K38-V58 WeakPolarHBondContact O-CG1 3.3Å; V39-V58 HydrophobicContact CG2-CB 4.47Å; V39-V58 HydrophobicContact CG2-CG1 4.07Å; V39-V58 HydrophobicContact CG2-CG2 3.74Å; V54-V58 HydrophobicContact CG2-CB 3.86Å; V54-V58 HydrophobicContact CG2-CG1 3.62Å; A56-V58 PolarHBondContact O-N 2.99Å; V58-I71 HydrophobicContact CG2-CB 4.09Å; V58-I71 HydrophobicContact CG2-CD1 4.13Å; V58-I71 HydrophobicContact CG2-CG2 4.48Å; V58-T72 CarbonylContact C-O 3.52Å; V58-T72 WeakPolarHBondContact CA-O 3.44Å; V58-T72 WeakPolarHBondContact CG2-O 3.26Å; V58-L73 HydrophobicContact CB-CD1 4.01Å |
| 59 | S | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -25.4 | -163.5 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | V32 T72 F102 N103 | V32-S59 WeakPolarHBondContact CG2-O 3.37Å; S59-T72 PolarHBondContact N-O 3.06Å; S59-T72 PolarHBondContact OG-OG1 3.26Å; S59-F102 VanDerWaalsContact CB-O 3.27Å; S59-F102 WeakPolarHBondContact CB-O 3.3Å; S59-F102 VanDerWaalsContact OG-CB 3.31Å; S59-F102 WeakPolarHBondContact OG-CB 3.25Å; S59-F102 PolarHBondContact OG-O 2.93Å; S59-N103 CarbonylContact C-O 3.57Å; S59-N103 WeakPolarHBondContact CB-O 3.33Å; S59-N103 PolarHBondContact OG-N 3.48Å; S59-N103 PolarHBondContact OG-O 3.49Å |
| 60 | S | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 156.8 | 172.6 | 70.8 | 0 | 0 | 0 | 0 | 112.5 | S19 I71 T72 Y113 | S19-S60 WeakPolarHBondContact OG-CA 3.49Å; S19-S60 WeakPolarHBondContact OG-CB 3.48Å; S60-I71 VanDerWaalsContact O-CA 3.27Å; S60-I71 WeakPolarHBondContact O-CA 3.35Å; S60-I71 WeakPolarHBondContact O-CB 3.49Å; S60-T72 PolarHBondContact N-OG1 2.88Å; S60-T72 PolarHBondContact O-N 3.42Å; S60-T72 PolarHBondContact OG-OG1 2.76Å; S60-Y113 PolarHBondContact O-OH 3.43Å; S60-Y113 PolarHBondContact OG-OH 3.48Å |
| 61 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.1 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | S19 V21 L30 V32 V39 Y69 V70 I71 | S19-V61 PolarHBondContact OG-N 3.45Å; S19-V61 PolarHBondContact OG-O 3.49Å; V21-V61 VanDerWaalsContact CG2-O 3.26Å; V21-V61 WeakPolarHBondContact CG2-O 3.47Å; L30-V61 HydrophobicContact CB-CG1 4.02Å; V32-V61 HydrophobicContact CG1-CB 4.14Å; V32-V61 HydrophobicContact CG1-CG1 3.97Å; V39-V61 HydrophobicContact CG1-CB 4.18Å; V39-V61 HydrophobicContact CG1-CG1 4.41Å; V39-V61 HydrophobicContact CG1-CG2 3.94Å; V61-Y69 HydrophobicContact CG2-CG 4.27Å; V61-V70 WeakPolarHBondContact CA-O 3.49Å; V61-I71 HydrophobicContact CB-CG2 4.01Å; V61-I71 HydrophobicContact CG2-CG2 3.86Å |
| 62 | A | 98.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 155 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y69 V70 V107 Y113 | A62-Y69 WeakPolarHBondContact O-CA 3.43Å; A62-Y69 WeakPolarHBondContact O-CB 3.47Å; A62-V70 HydrophobicContact CB-CG1 3.92Å; A62-V70 PolarHBondContact N-O 2.74Å; A62-V70 PolarHBondContact O-N 2.83Å; A62-V107 HydrophobicContact CB-CG2 3.55Å; A62-Y113 HydrophobicContact CB-CE1 4.46Å; A62-Y113 HydrophobicContact CB-CE2 4.07Å |
| 63 | L | 98.8 | Very high | 97.8 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 148.6 | 173.1 | -56.8 | -178.1 | 0 | 0 | 0 | 110.3 | V21 D23 L30 Y69 P294 P296 F297 | V21-L63 HydrophobicContact CG1-CG 4.15Å; D23-L63 HydrophobicContact CB-CD2 4.07Å; L30-L63 HydrophobicContact CD1-CD2 3.59Å; L63-Y69 HydrophobicContact CD2-CD1 4.08Å; L63-Y69 HydrophobicContact CD2-CE1 3.86Å; L63-P294 HydrophobicContact CD1-CG 3.95Å; L63-P296 HydrophobicContact CB-CB 3.99Å; L63-P296 CarbonylContact O-C 3.56Å; L63-P296 WeakPolarHBondContact O-CA 3.47Å; L63-F297 PolarHBondContact O-N 3.18Å |
| 64 | R | 98.3 | Very high | 97.8 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 24% | 0.242 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -119.1 | 135.6 | 173.7 | -171.1 | 179.6 | -175.7 | -152.9 | 0.9 | 110.9 | S66 G67 D68 F297 G299 | R64-S66 VanDerWaalsContact C-N 3.27Å; R64-S66 WeakPolarHBondContact CD-OG 3.46Å; R64-S66 WeakPolarHBondContact CG-OG 3.27Å; R64-S66 PolarHBondContact NE-OG 2.91Å; R64-S66 PolarHBondContact O-N 2.98Å; R64-G67 WeakPolarHBondContact CB-O 3.48Å; R64-G67 PolarHBondContact O-N 2.83Å; R64-D68 PolarHBondContact N-O 3.37Å; R64-F297 HydrophobicContact CG-CD1 4.22Å; R64-G299 WeakPolarHBondContact CG-O 3.5Å; R64-G299 PolarHBondContact NE-O 2.93Å; R64-G299 PolarHBondContact NH2-O 3.18Å; R64-G299 PolarHBondContact NH2-OXT 2.89Å |
| 65 | K | 96.6 | Very high | 97.8 | Very high | 129 Ų | 129 | 29.7 Ų | 29.7 | 56% | 0.561 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -36.1 | -176.3 | -78.9 | -170.5 | -172.4 | 172.7 | 0 | 112.8 | G67 P296 F297 A298 | K65-G67 PolarHBondContact O-N 3.15Å; K65-G67 VanDerWaalsContact O-N 3.15Å; K65-P296 HydrophobicContact CD-CG 4.35Å; K65-P296 HydrophobicContact CG-CB 3.74Å; K65-P296 HydrophobicContact CG-CG 3.52Å; K65-F297 WeakPolarHBondContact CB-O 3.39Å; K65-F297 WeakPolarHBondContact CG-O 3.41Å; K65-F297 PolarHBondContact N-O 3.29Å; K65-A298 HydrophobicContact CD-CB 4.12Å |
| 66 | S | 93.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 26.4 Ų | 26.4 | 61% | 0.608 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -1.8 | 176.9 | 63.2 | 0 | 0 | 0 | 0 | 114 | R64 | R64-S66 VanDerWaalsContact C-N 3.27Å; R64-S66 WeakPolarHBondContact CD-OG 3.46Å; R64-S66 WeakPolarHBondContact CG-OG 3.27Å; R64-S66 PolarHBondContact NE-OG 2.91Å; R64-S66 PolarHBondContact O-N 2.98Å |
| 67 | G | 92 | Very high | 97.9 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 36% | 0.361 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 93.5 | 167.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R64 K65 | R64-G67 WeakPolarHBondContact CB-O 3.48Å; R64-G67 PolarHBondContact O-N 2.83Å; K65-G67 PolarHBondContact O-N 3.15Å; K65-G67 VanDerWaalsContact O-N 3.15Å |
| 68 | D | 94.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 24.3 Ų | 24.3 | 34% | 0.342 | 14% | 0.135 | S | C | . | . | S | Bend | trans | 61.2 | -155 | -173.7 | -73.8 | -49 | 0 | 0 | 0 | 112.5 | R64 L80 W82 | R64-D68 PolarHBondContact N-O 3.37Å; D68-L80 WeakPolarHBondContact CB-O 3.33Å; D68-W82 PolarHBondContact OD1-N 2.8Å |
| 69 | Y | 98.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 6% | 0.059 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 160.5 | -171.3 | -47.5 | -62.9 | 0 | 0 | 0 | 112.3 | L30 V61 A62 L63 L80 W82 | L30-Y69 HydrophobicContact CD1-CD1 3.68Å; L30-Y69 HydrophobicContact CD1-CE1 3.29Å; L30-Y69 HydrophobicContact CD2-CE1 4.06Å; L30-Y69 HydrophobicContact CD2-CE2 4.09Å; L30-Y69 HydrophobicContact CG-CE1 4.28Å; V61-Y69 HydrophobicContact CG2-CG 4.27Å; A62-Y69 WeakPolarHBondContact O-CA 3.43Å; A62-Y69 WeakPolarHBondContact O-CB 3.47Å; L63-Y69 HydrophobicContact CD2-CD1 4.08Å; L63-Y69 HydrophobicContact CD2-CE1 3.86Å; Y69-L80 HydrophobicContact CD2-CD2 4.24Å; Y69-L80 HydrophobicContact CD2-CG 4.47Å; Y69-L80 PolarHBondContact N-O 3.34Å; Y69-L80 VanDerWaalsContact N-O 3.17Å; Y69-L80 PolarHBondContact O-N 2.74Å; Y69-W82 HydrophobicContact CD2-CB 4.17Å; Y69-W82 HydrophobicContact CD2-CD2 4.46Å; Y69-W82 AromaticContact CD2-CE3 3.81Å; Y69-W82 HydrophobicContact CD2-CE3 3.81Å; Y69-W82 HydrophobicContact CE2-CB 3.66Å; Y69-W82 AromaticContact CE2-CD2 3.71Å; Y69-W82 HydrophobicContact CE2-CD2 3.71Å; Y69-W82 AromaticContact CE2-CE3 3.39Å; Y69-W82 HydrophobicContact CE2-CE3 3.39Å; Y69-W82 AromaticContact CE2-CG 3.85Å; Y69-W82 HydrophobicContact CE2-CG 3.85Å; Y69-W82 HydrophobicContact CE2-CZ3 4.28Å |
| 70 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.6 | 164.5 | 63.6 | 0 | 0 | 0 | 0 | 108 | V61 A62 A78 I90 Y113 L137 F297 | V61-V70 WeakPolarHBondContact CA-O 3.49Å; A62-V70 HydrophobicContact CB-CG1 3.92Å; A62-V70 PolarHBondContact N-O 2.74Å; A62-V70 PolarHBondContact O-N 2.83Å; V70-A78 CarbonylContact C-O 3.49Å; V70-A78 WeakPolarHBondContact CA-O 3.31Å; V70-A78 WeakPolarHBondContact CG2-O 3.48Å; V70-I90 HydrophobicContact CG2-CD1 4.03Å; V70-Y113 HydrophobicContact CB-CD1 4.12Å; V70-Y113 HydrophobicContact CB-CE1 4.07Å; V70-Y113 HydrophobicContact CG1-CD1 3.44Å; V70-Y113 VanDerWaalsContact CG1-CD1 3.44Å; V70-Y113 HydrophobicContact CG1-CE1 3.49Å; V70-Y113 VanDerWaalsContact CG1-CE1 3.49Å; V70-Y113 HydrophobicContact CG1-CG 4.27Å; V70-Y113 HydrophobicContact CG2-CD1 3.59Å; V70-Y113 HydrophobicContact CG2-CE1 3.72Å; V70-L137 HydrophobicContact CG2-CD2 4.42Å; V70-F297 HydrophobicContact CB-CD1 4.2Å; V70-F297 HydrophobicContact CG1-CB 3.66Å; V70-F297 HydrophobicContact CG1-CD1 4.07Å; V70-F297 HydrophobicContact CG1-CG 4.03Å; V70-F297 HydrophobicContact CG2-CD1 4.3Å |
| 71 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 159.9 | -175.4 | 63.5 | 172.7 | 0 | 0 | 0 | 111.1 | V39 V58 S60 V61 L73 A78 L80 V87 | V39-I71 HydrophobicContact CG2-CG2 4.22Å; V58-I71 HydrophobicContact CG2-CB 4.09Å; V58-I71 HydrophobicContact CG2-CD1 4.13Å; V58-I71 HydrophobicContact CG2-CG2 4.48Å; S60-I71 VanDerWaalsContact O-CA 3.27Å; S60-I71 WeakPolarHBondContact O-CA 3.35Å; S60-I71 WeakPolarHBondContact O-CB 3.49Å; V61-I71 HydrophobicContact CB-CG2 4.01Å; V61-I71 HydrophobicContact CG2-CG2 3.86Å; I71-L73 HydrophobicContact CD1-CB 4.19Å; I71-L73 HydrophobicContact CD1-CD2 4.17Å; I71-L73 HydrophobicContact CG1-CB 4.48Å; I71-A78 HydrophobicContact CD1-CB 4.45Å; I71-A78 HydrophobicContact CG1-CB 3.95Å; I71-A78 PolarHBondContact N-O 2.92Å; I71-A78 PolarHBondContact O-N 2.93Å; I71-L80 HydrophobicContact CD1-CB 4.33Å; I71-L80 HydrophobicContact CG2-CB 4.18Å; I71-L80 HydrophobicContact CG2-CD2 4.18Å; I71-V87 HydrophobicContact CD1-CG1 4.3Å; I71-V87 HydrophobicContact CD1-CG2 4.38Å |
| 72 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.5 | 164.3 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | V58 S59 S60 R76 F77 F102 Y113 A115 | V58-T72 CarbonylContact C-O 3.52Å; V58-T72 WeakPolarHBondContact CA-O 3.44Å; V58-T72 WeakPolarHBondContact CG2-O 3.26Å; S59-T72 PolarHBondContact N-O 3.06Å; S59-T72 PolarHBondContact OG-OG1 3.26Å; S60-T72 PolarHBondContact N-OG1 2.88Å; S60-T72 PolarHBondContact O-N 3.42Å; S60-T72 PolarHBondContact OG-OG1 2.76Å; T72-R76 WeakPolarHBondContact CA-O 3.43Å; T72-F77 HydrophobicContact CG2-CD1 3.81Å; T72-F77 HydrophobicContact CG2-CE1 3.73Å; T72-F102 HydrophobicContact CG2-CB 4.12Å; T72-F102 HydrophobicContact CG2-CD1 4.12Å; T72-F102 HydrophobicContact CG2-CD2 3.89Å; T72-F102 HydrophobicContact CG2-CE2 4.3Å; T72-F102 HydrophobicContact CG2-CG 3.8Å; T72-Y113 HydrophobicContact CG2-CE1 4.29Å; T72-A115 HydrophobicContact CG2-CB 3.62Å |
| 73 | L | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 108.6 | -169.8 | 177.2 | 60.3 | 0 | 0 | 0 | 109.8 | V54 D55 A56 P57 V58 I71 T75 R76 V87 | V54-L73 HydrophobicContact CB-CD1 3.98Å; V54-L73 HydrophobicContact CB-CD2 4.31Å; V54-L73 HydrophobicContact CG2-CD1 3.64Å; D55-L73 WeakPolarHBondContact OD1-CD2 3.21Å; A56-L73 HydrophobicContact CB-CD1 3.71Å; A56-L73 HydrophobicContact CB-CG 4.13Å; A56-L73 WeakPolarHBondContact O-CD1 3.5Å; P57-L73 CarbonylContact O-C 3.5Å; P57-L73 WeakPolarHBondContact O-CA 3.35Å; V58-L73 HydrophobicContact CB-CD1 4.01Å; I71-L73 HydrophobicContact CD1-CB 4.19Å; I71-L73 HydrophobicContact CD1-CD2 4.17Å; I71-L73 HydrophobicContact CG1-CB 4.48Å; L73-T75 PolarHBondContact O-N 2.76Å; L73-R76 HydrophobicContact CB-CG 4.22Å; L73-R76 PolarHBondContact N-O 3.07Å; L73-R76 WeakPolarHBondContact O-CG 3.43Å; L73-R76 PolarHBondContact O-N 3.01Å; L73-R76 VanDerWaalsContact O-N 3.09Å; L73-V87 HydrophobicContact CD2-CG1 3.73Å |
| 74 | G | 98.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -124.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P57 F102 | P57-G74 PolarHBondContact O-N 2.84Å; G74-F102 WeakPolarHBondContact O-CB 3.41Å; G74-F102 WeakPolarHBondContact O-CD2 3.38Å; G74-F102 PolarHBondContact O-N 2.79Å |
| 75 | T | 98.6 | Very high | 97.5 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 17% | 0.172 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 21.7 | 174.5 | 57 | 0 | 0 | 0 | 0 | 114.1 | L73 H92 V93 D94 N100 | L73-T75 PolarHBondContact O-N 2.76Å; T75-H92 WeakPolarHBondContact O-CA 3.45Å; T75-V93 WeakPolarHBondContact CB-O 3.2Å; T75-V93 PolarHBondContact O-N 3.39Å; T75-D94 HydrophobicContact CG2-CB 4.2Å; T75-N100 HydrophobicContact CG2-CB 4.02Å; T75-N100 WeakPolarHBondContact CG2-O 3.47Å |
| 76 | R | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.6 | 175.7 | 51.8 | 169.7 | 179.4 | -171.4 | -3.6 | 112.7 | D55 T72 L73 T89 T91 | D55-R76 IonicContact OD1-CZ 3.82Å; D55-R76 IonicContact OD1-NH2 2.71Å; D55-R76 PolarHBondContact OD1-NH2 2.59Å; D55-R76 IonicContact OD2-CZ 2.7Å; D55-R76 IonicContact OD2-NH2 3.14Å; D55-R76 PolarHBondContact OD2-NH2 2.8Å; T72-R76 WeakPolarHBondContact CA-O 3.43Å; L73-R76 HydrophobicContact CB-CG 4.22Å; L73-R76 PolarHBondContact N-O 3.07Å; L73-R76 WeakPolarHBondContact O-CG 3.43Å; L73-R76 PolarHBondContact O-N 3.01Å; L73-R76 VanDerWaalsContact O-N 3.09Å; R76-T89 HydrophobicContact CB-CG2 4.1Å; R76-T89 WeakPolarHBondContact CD-OG1 3.27Å; R76-T89 PolarHBondContact NH1-OG1 3.19Å; R76-T91 WeakPolarHBondContact CA-O 3.49Å; R76-T91 VanDerWaalsContact CB-O 3.27Å; R76-T91 WeakPolarHBondContact CB-O 3.19Å |
| 77 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 136.8 | 154.2 | -70.2 | -77.5 | 0 | 0 | 0 | 108.3 | T72 I90 T91 V93 F102 Y113 A115 L137 V143 | T72-F77 HydrophobicContact CG2-CD1 3.81Å; T72-F77 HydrophobicContact CG2-CE1 3.73Å; F77-I90 HydrophobicContact CB-CB 4.39Å; F77-I90 WeakPolarHBondContact O-CB 3.33Å; F77-I90 PolarHBondContact O-N 2.93Å; F77-T91 HydrophobicContact CB-CG2 4.28Å; F77-T91 HydrophobicContact CD2-CG2 4.07Å; F77-T91 PolarHBondContact N-O 2.94Å; F77-T91 PolarHBondContact O-N 2.9Å; F77-V93 HydrophobicContact CE2-CG1 4.42Å; F77-F102 HydrophobicContact CD2-CE2 4.18Å; F77-F102 AromaticContact CD2-CZ 3.85Å; F77-F102 HydrophobicContact CD2-CZ 3.85Å; F77-F102 HydrophobicContact CE1-CZ 4.31Å; F77-F102 HydrophobicContact CE2-CE1 4.09Å; F77-F102 HydrophobicContact CE2-CE2 4.18Å; F77-F102 AromaticContact CE2-CZ 3.41Å; F77-F102 HydrophobicContact CE2-CZ 3.41Å; F77-F102 VanDerWaalsContact CE2-CZ 3.41Å; F77-F102 HydrophobicContact CG-CE2 4.5Å; F77-F102 HydrophobicContact CG-CZ 4.47Å; F77-F102 AromaticContact CZ-CE1 3.93Å; F77-F102 HydrophobicContact CZ-CE1 3.93Å; F77-F102 HydrophobicContact CZ-CE2 4.49Å; F77-F102 AromaticContact CZ-CZ 3.67Å; F77-F102 HydrophobicContact CZ-CZ 3.67Å; F77-Y113 AromaticContact CD1-CD1 3.76Å; F77-Y113 HydrophobicContact CD1-CD1 3.76Å; F77-Y113 HydrophobicContact CD1-CE1 4.08Å; F77-Y113 HydrophobicContact CD1-CG 4.43Å; F77-Y113 AromaticContact CE1-CD1 3.81Å; F77-Y113 HydrophobicContact CE1-CD1 3.81Å; F77-Y113 HydrophobicContact CE1-CE1 4.23Å; F77-Y113 HydrophobicContact CE1-CG 4.05Å; F77-A115 HydrophobicContact CE1-CB 3.83Å; F77-A115 HydrophobicContact CZ-CB 3.93Å; F77-L137 HydrophobicContact CB-CD2 3.93Å; F77-L137 HydrophobicContact CD1-CB 4.11Å; F77-L137 HydrophobicContact CD1-CD2 4.13Å; F77-L137 HydrophobicContact CD2-CB 4.08Å; F77-L137 HydrophobicContact CD2-CD1 4.35Å; F77-L137 HydrophobicContact CE1-CB 4.07Å; F77-L137 HydrophobicContact CE2-CB 4.04Å; F77-L137 HydrophobicContact CG-CB 4.11Å; F77-L137 HydrophobicContact CG-CD1 4.48Å; F77-L137 HydrophobicContact CG-CD2 3.99Å; F77-L137 HydrophobicContact CG-CG 4.44Å; F77-L137 HydrophobicContact CZ-CB 4.04Å; F77-V143 HydrophobicContact CD2-CG2 4.41Å; F77-V143 HydrophobicContact CE2-CG2 4.48Å |
| 78 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V70 I71 V87 T88 | V70-A78 CarbonylContact C-O 3.49Å; V70-A78 WeakPolarHBondContact CA-O 3.31Å; V70-A78 WeakPolarHBondContact CG2-O 3.48Å; I71-A78 HydrophobicContact CD1-CB 4.45Å; I71-A78 HydrophobicContact CG1-CB 3.95Å; I71-A78 PolarHBondContact N-O 2.92Å; I71-A78 PolarHBondContact O-N 2.93Å; A78-V87 HydrophobicContact CB-CG1 3.77Å; A78-T88 CarbonylContact C-O 3.58Å; A78-T88 VanDerWaalsContact CA-O 3.24Å; A78-T88 WeakPolarHBondContact CA-O 3.47Å; A78-T88 WeakPolarHBondContact CB-O 3.45Å |
| 79 | A | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 138.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | V87 T88 I90 | A79-V87 WeakPolarHBondContact O-CA 3.4Å; A79-T88 PolarHBondContact N-O 2.83Å; A79-T88 PolarHBondContact O-N 2.8Å; A79-I90 HydrophobicContact CB-CD1 4.31Å |
| 80 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 110.7 | 175.9 | 168.4 | 63.5 | 0 | 0 | 0 | 109.3 | V39 I52 D68 Y69 I71 W82 V87 | V39-L80 HydrophobicContact CB-CD2 3.99Å; V39-L80 HydrophobicContact CG1-CD2 3.98Å; V39-L80 HydrophobicContact CG2-CD2 3.92Å; I52-L80 HydrophobicContact CD1-CD1 4.14Å; I52-L80 HydrophobicContact CG2-CD1 4.37Å; D68-L80 WeakPolarHBondContact CB-O 3.33Å; Y69-L80 HydrophobicContact CD2-CD2 4.24Å; Y69-L80 HydrophobicContact CD2-CG 4.47Å; Y69-L80 PolarHBondContact N-O 3.34Å; Y69-L80 VanDerWaalsContact N-O 3.17Å; Y69-L80 PolarHBondContact O-N 2.74Å; I71-L80 HydrophobicContact CD1-CB 4.33Å; I71-L80 HydrophobicContact CG2-CB 4.18Å; I71-L80 HydrophobicContact CG2-CD2 4.18Å; L80-W82 HydrophobicContact CD2-CE3 4.2Å; L80-W82 HydrophobicContact CD2-CZ3 4.48Å; L80-V87 HydrophobicContact CD1-CG2 3.81Å |
| 81 | K | 98.1 | Very high | 98.3 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.6 | 168.7 | -63.5 | -169.9 | 178.8 | -177.1 | 0 | 110 | D84 Q85 L86 | K81-D84 HydrophobicContact CB-CB 4.25Å; K81-Q85 WeakPolarHBondContact O-CA 3.21Å; K81-Q85 PolarHBondContact O-N 2.78Å; K81-L86 HydrophobicContact CB-CB 4.34Å; K81-L86 PolarHBondContact N-O 2.92Å; K81-L86 PolarHBondContact O-N 3.07Å |
| 82 | W | 97.4 | Very high | 98.2 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 10% | 0.095 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -47.2 | -168.4 | -173.6 | -92.6 | 0 | 0 | 0 | 112.8 | L30 V39 K41 Q50 I52 D68 Y69 L80 D84 Q85 | L30-W82 HydrophobicContact CD2-CZ3 4.48Å; V39-W82 HydrophobicContact CB-CZ3 4.33Å; V39-W82 HydrophobicContact CG1-CZ3 3.97Å; K41-W82 HydrophobicContact CB-CH2 3.48Å; K41-W82 VanDerWaalsContact CB-CH2 3.48Å; K41-W82 HydrophobicContact CB-CZ2 3.5Å; K41-W82 VanDerWaalsContact CB-CZ2 3.5Å; K41-W82 HydrophobicContact CB-CZ3 4.36Å; K41-W82 HydrophobicContact CD-CZ2 4.19Å; K41-W82 HydrophobicContact CG-CZ2 4.46Å; Q50-W82 HydrophobicContact CB-CZ2 3.82Å; I52-W82 HydrophobicContact CD1-CD2 3.61Å; I52-W82 HydrophobicContact CD1-CE3 3.41Å; I52-W82 VanDerWaalsContact CD1-CE3 3.41Å; I52-W82 HydrophobicContact CD1-CG 4.14Å; I52-W82 HydrophobicContact CD1-CH2 4.27Å; I52-W82 HydrophobicContact CD1-CZ2 4.42Å; I52-W82 HydrophobicContact CD1-CZ3 3.78Å; I52-W82 WeakPolarHBondContact CD1-O 3.44Å; I52-W82 HydrophobicContact CG1-CD2 4.46Å; I52-W82 HydrophobicContact CG1-CE3 4.22Å; I52-W82 HydrophobicContact CG1-CH2 4.2Å; I52-W82 HydrophobicContact CG1-CZ2 4.43Å; I52-W82 HydrophobicContact CG1-CZ3 4.1Å; D68-W82 PolarHBondContact OD1-N 2.8Å; Y69-W82 HydrophobicContact CD2-CB 4.17Å; Y69-W82 HydrophobicContact CD2-CD2 4.46Å; Y69-W82 AromaticContact CD2-CE3 3.81Å; Y69-W82 HydrophobicContact CD2-CE3 3.81Å; Y69-W82 HydrophobicContact CE2-CB 3.66Å; Y69-W82 AromaticContact CE2-CD2 3.71Å; Y69-W82 HydrophobicContact CE2-CD2 3.71Å; Y69-W82 AromaticContact CE2-CE3 3.39Å; Y69-W82 HydrophobicContact CE2-CE3 3.39Å; Y69-W82 AromaticContact CE2-CG 3.85Å; Y69-W82 HydrophobicContact CE2-CG 3.85Å; Y69-W82 HydrophobicContact CE2-CZ3 4.28Å; L80-W82 HydrophobicContact CD2-CE3 4.2Å; L80-W82 HydrophobicContact CD2-CZ3 4.48Å; W82-D84 VanDerWaalsContact C-N 3.33Å; W82-D84 PolarHBondContact O-N 2.77Å; W82-Q85 PolarHBondContact O-N 2.98Å |
| 83 | K | 96.4 | Very high | 98.2 | Very high | 191 Ų | 191 | 50.8 Ų | 50.8 | 83% | 0.83 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -38.8 | -176.6 | -68.9 | -176.8 | 179.4 | 176.7 | 0 | 112.2 | Q85 | K83-Q85 VanDerWaalsContact C-N 3.33Š|
| 84 | D | 97.1 | Very high | 98.2 | Very high | 111 Ų | 111 | 51.2 Ų | 51.2 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.7 | -178.2 | -56.2 | -24.3 | 0 | 0 | 0 | 112.4 | K81 W82 L86 | K81-D84 HydrophobicContact CB-CB 4.25Å; W82-D84 VanDerWaalsContact C-N 3.33Å; W82-D84 PolarHBondContact O-N 2.77Å; D84-L86 HydrophobicContact CB-CB 4.07Å; D84-L86 PolarHBondContact O-N 2.83Å |
| 85 | Q | 97.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 58.7 Ų | 58.7 | 62% | 0.617 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 34 | -171.1 | -52.5 | -176.5 | 28.4 | 0 | 0 | 112.8 | I52 K81 W82 K83 | I52-Q85 HydrophobicContact CD1-CB 4.39Å; I52-Q85 HydrophobicContact CD1-CG 4Å; I52-Q85 HydrophobicContact CG1-CG 4.11Å; I52-Q85 HydrophobicContact CG2-CB 4.14Å; I52-Q85 HydrophobicContact CG2-CG 4.47Å; K81-Q85 WeakPolarHBondContact O-CA 3.21Å; K81-Q85 PolarHBondContact O-N 2.78Å; W82-Q85 PolarHBondContact O-N 2.98Å; K83-Q85 VanDerWaalsContact C-N 3.33Å |
| 86 | L | 97.9 | Very high | 98 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.1 | -174.3 | 179.6 | 65.7 | 0 | 0 | 0 | 110.5 | K81 D84 | K81-L86 HydrophobicContact CB-CB 4.34Å; K81-L86 PolarHBondContact N-O 2.92Å; K81-L86 PolarHBondContact O-N 3.07Å; D84-L86 HydrophobicContact CB-CB 4.07Å; D84-L86 PolarHBondContact O-N 2.83Å |
| 87 | V | 98.5 | Very high | 98 | Very high | 39 Ų | 39 | 63.4 Ų | 63.4 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.1 | 171.3 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | V54 I71 L73 A78 A79 L80 | V54-V87 HydrophobicContact CG1-CG2 3.89Å; I71-V87 HydrophobicContact CD1-CG1 4.3Å; I71-V87 HydrophobicContact CD1-CG2 4.38Å; L73-V87 HydrophobicContact CD2-CG1 3.73Å; A78-V87 HydrophobicContact CB-CG1 3.77Å; A79-V87 WeakPolarHBondContact O-CA 3.4Å; L80-V87 HydrophobicContact CD1-CG2 3.81Å |
| 88 | T | 98.3 | Very high | 97.7 | Very high | 72 Ų | 72 | 69.7 Ų | 69.7 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.3 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 109.7 | A78 A79 I90 | A78-T88 CarbonylContact C-O 3.58Å; A78-T88 VanDerWaalsContact CA-O 3.24Å; A78-T88 WeakPolarHBondContact CA-O 3.47Å; A78-T88 WeakPolarHBondContact CB-O 3.45Å; A79-T88 PolarHBondContact N-O 2.83Å; A79-T88 PolarHBondContact O-N 2.8Å; T88-I90 PolarHBondContact O-N 3.38Å |
| 89 | T | 98.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 74.1 Ų | 74.1 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 130.7 | 172.8 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | R76 H92 | R76-T89 HydrophobicContact CB-CG2 4.1Å; R76-T89 WeakPolarHBondContact CD-OG1 3.27Å; R76-T89 PolarHBondContact NH1-OG1 3.19Å; T89-H92 WeakPolarHBondContact CG2-NE2 3.19Å |
| 90 | I | 98.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 74.1 Ų | 74.1 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -56.7 | 169.8 | -64.6 | 169.5 | 0 | 0 | 0 | 108.8 | V70 F77 A79 T88 L137 L141 | V70-I90 HydrophobicContact CG2-CD1 4.03Å; F77-I90 HydrophobicContact CB-CB 4.39Å; F77-I90 WeakPolarHBondContact O-CB 3.33Å; F77-I90 PolarHBondContact O-N 2.93Å; A79-I90 HydrophobicContact CB-CD1 4.31Å; T88-I90 PolarHBondContact O-N 3.38Å; I90-L137 HydrophobicContact CD1-CD2 4.04Å; I90-L137 HydrophobicContact CG2-CD1 4.02Å; I90-L137 HydrophobicContact CG2-CD2 4.33Å; I90-L141 HydrophobicContact CD1-CD2 4.45Å; I90-L141 HydrophobicContact CG2-CB 3.79Å; I90-L141 HydrophobicContact CG2-CD1 4.19Å; I90-L141 HydrophobicContact CG2-CD2 3.88Å; I90-L141 HydrophobicContact CG2-CG 4.16Å |
| 91 | T | 98.4 | Very high | 97.5 | Very high | 38 Ų | 38 | 74.3 Ų | 74.3 | 23% | 0.233 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 162.9 | -176.7 | -171 | 0 | 0 | 0 | 0 | 111.1 | R76 F77 L137 V143 | R76-T91 WeakPolarHBondContact CA-O 3.49Å; R76-T91 VanDerWaalsContact CB-O 3.27Å; R76-T91 WeakPolarHBondContact CB-O 3.19Å; F77-T91 HydrophobicContact CB-CG2 4.28Å; F77-T91 HydrophobicContact CD2-CG2 4.07Å; F77-T91 PolarHBondContact N-O 2.94Å; F77-T91 PolarHBondContact O-N 2.9Å; T91-L137 HydrophobicContact CG2-CD1 3.9Å; T91-V143 HydrophobicContact CG2-CG2 3.37Å |
| 92 | H | 98.3 | Very high | 97.6 | Very high | 85 Ų | 85 | 70 Ų | 70 | 39% | 0.394 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.3 | 179.1 | -72.5 | -99 | 0 | 0 | 0 | 110.7 | T75 T89 K95 | T75-H92 WeakPolarHBondContact O-CA 3.45Å; T89-H92 WeakPolarHBondContact CG2-NE2 3.19Å; H92-K95 HydrophobicContact CB-CG 4.17Å |
| 93 | V | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | trans | -109.2 | 174.1 | 166.3 | -56.1 | 0 | 0 | 0 | 0 | 110 | T75 F77 K95 F102 T117 Y135 V143 | T75-V93 WeakPolarHBondContact CB-O 3.2Å; T75-V93 PolarHBondContact O-N 3.39Å; F77-V93 HydrophobicContact CE2-CG1 4.42Å; V93-K95 PolarHBondContact O-N 2.73Å; V93-F102 HydrophobicContact CB-CZ 4.32Å; V93-F102 HydrophobicContact CG1-CZ 4.04Å; V93-F102 HydrophobicContact CG2-CE1 3.98Å; V93-F102 HydrophobicContact CG2-CE2 3.65Å; V93-F102 HydrophobicContact CG2-CZ 3.3Å; V93-T117 HydrophobicContact CG2-CG2 3.82Å; V93-Y135 HydrophobicContact CB-CD1 4.36Å; V93-Y135 HydrophobicContact CB-CD2 4.21Å; V93-Y135 HydrophobicContact CB-CE1 4.11Å; V93-Y135 HydrophobicContact CB-CE2 3.95Å; V93-Y135 HydrophobicContact CB-CG 4.41Å; V93-Y135 HydrophobicContact CG1-CD1 3.91Å; V93-Y135 HydrophobicContact CG1-CD2 4.23Å; V93-Y135 HydrophobicContact CG1-CE1 4.11Å; V93-Y135 HydrophobicContact CG1-CE2 4.41Å; V93-Y135 HydrophobicContact CG1-CG 3.97Å; V93-Y135 HydrophobicContact CG2-CD2 4.05Å; V93-Y135 HydrophobicContact CG2-CE2 3.89Å; V93-V143 HydrophobicContact CG1-CG1 3.95Å | ||
| 94 | D | 97.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | trans | 49.8 | 38.8 | 171.7 | -76.2 | -0.1 | 0 | 0 | 0 | 114.1 | T75 D96 K97 N100 T117 Y135 | T75-D94 HydrophobicContact CG2-CB 4.2Å; D94-D96 PolarHBondContact O-N 2.79Å; D94-D96 VanDerWaalsContact O-N 3.12Å; D94-K97 HydrophobicContact CB-CB 4.22Å; D94-K97 PolarHBondContact O-N 3.48Å; D94-N100 HydrophobicContact CB-CB 4.29Å; D94-N100 PolarHBondContact OD2-ND2 3.27Å; D94-T117 WeakPolarHBondContact OD2-CB 3.27Å; D94-T117 WeakPolarHBondContact OD2-CG2 3.34Å; D94-T117 PolarHBondContact OD2-OG1 2.93Å; D94-Y135 PolarHBondContact OD1-OH 2.89Å | ||
| 95 | K | 96.9 | Very high | 97.8 | Very high | 171 Ų | 171 | 55.4 Ų | 55.4 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23 | -176.2 | -65.6 | 179.7 | -179 | 175.4 | 0 | 113.2 | H92 V93 | H92-K95 HydrophobicContact CB-CG 4.17Å; V93-K95 PolarHBondContact O-N 2.73Å |
| 96 | D | 97.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 51.4 Ų | 51.4 | 68% | 0.684 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6.1 | 176.2 | 59.3 | -48.5 | 0 | 0 | 0 | 113.5 | D94 P98 | D94-D96 PolarHBondContact O-N 2.79Å; D94-D96 VanDerWaalsContact O-N 3.12Å; D96-P98 WeakPolarHBondContact O-CD 3.23Å |
| 97 | K | 97.2 | Very high | 98 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | trans | -119.8 | 83.1 | -177.6 | -59.8 | -178.7 | 177.5 | 174.7 | 0 | 110.6 | D94 N99 N100 Q131 | D94-K97 HydrophobicContact CB-CB 4.22Å; D94-K97 PolarHBondContact O-N 3.48Å; K97-N99 PolarHBondContact O-N 2.82Å; K97-N99 VanDerWaalsContact O-N 3.11Å; K97-N100 HydrophobicContact CB-CB 3.94Å; K97-N100 VanDerWaalsContact CD-ND2 3.3Å; K97-N100 WeakPolarHBondContact CD-ND2 3.43Å; K97-N100 PolarHBondContact O-N 2.98Å; K97-N100 VanDerWaalsContact O-N 3.08Å; K97-Q131 WeakPolarHBondContact CD-O 3.18Å; K97-Q131 PolarHBondContact NZ-O 3.44Å | ||
| 98 | P | 92.1 | Very high | 98 | Very high | 131 Ų | 131 | 45.8 Ų | 45.8 | 85% | 0.851 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.7 | -172.9 | 27.4 | -35.9 | 0 | 0 | 0 | 114.2 | D96 | D96-P98 WeakPolarHBondContact O-CD 3.23Š|
| 99 | N | 96.1 | Very high | 98 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 17.5 | 177.4 | -161.2 | 54.9 | 0 | 0 | 0 | 112.8 | K97 E120 | K97-N99 PolarHBondContact O-N 2.82Å; K97-N99 VanDerWaalsContact O-N 3.11Å; N99-E120 WeakPolarHBondContact O-CB 3.37Å; N99-E120 PolarHBondContact O-N 2.91Å |
| 100 | N | 98.6 | Very high | 98 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 157.4 | 171.3 | -86.2 | 24.1 | 0 | 0 | 0 | 111.5 | T75 D94 K97 M118 A119 Q131 | T75-N100 HydrophobicContact CG2-CB 4.02Å; T75-N100 WeakPolarHBondContact CG2-O 3.47Å; D94-N100 HydrophobicContact CB-CB 4.29Å; D94-N100 PolarHBondContact OD2-ND2 3.27Å; K97-N100 HydrophobicContact CB-CB 3.94Å; K97-N100 VanDerWaalsContact CD-ND2 3.3Å; K97-N100 WeakPolarHBondContact CD-ND2 3.43Å; K97-N100 PolarHBondContact O-N 2.98Å; K97-N100 VanDerWaalsContact O-N 3.08Å; N100-M118 CarbonylContact C-O 3.56Å; N100-M118 WeakPolarHBondContact CA-O 3.26Å; N100-M118 WeakPolarHBondContact CB-O 3.3Å; N100-A119 WeakPolarHBondContact OD1-CA 3.36Å; N100-Q131 PolarHBondContact ND2-O 3.2Å |
| 101 | R | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 161.3 | 162.8 | 60.1 | 163.3 | 176.9 | 87.9 | -1.6 | 110.1 | N103 T117 M118 E120 E121 | R101-N103 PolarHBondContact NH1-OD1 2.93Å; R101-T117 CarbonylContact O-C 3.31Å; R101-T117 WeakPolarHBondContact O-CA 3.35Å; R101-T117 WeakPolarHBondContact O-CB 3.49Å; R101-M118 HydrophobicContact CG-CG 4.26Å; R101-M118 VanDerWaalsContact CZ-SD 3.56Å; R101-M118 PolarHBondContact N-O 2.83Å; R101-M118 PolarHBondContact NH2-SD 2.97Å; R101-M118 VanDerWaalsContact NH2-SD 3.37Å; R101-M118 PolarHBondContact O-N 3.47Å; R101-E120 HydrophobicContact CB-CG 4.44Å; R101-E120 VanDerWaalsContact CD-CD 3.4Å; R101-E120 WeakPolarHBondContact CD-OE1 3.35Å; R101-E120 VanDerWaalsContact CD-OE2 3.23Å; R101-E120 WeakPolarHBondContact CD-OE2 3.12Å; R101-E120 HydrophobicContact CG-CG 4.06Å; R101-E120 IonicContact NE-OE2 2.71Å; R101-E120 PolarHBondContact NE-OE2 2.85Å; R101-E121 IonicContact NH2-OE2 3.32Å; R101-E121 PolarHBondContact NH2-OE2 2.83Å |
| 102 | F | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 157.7 | 159.8 | -80.5 | -68.4 | 0 | 0 | 0 | 110.8 | S59 T72 G74 F77 V93 A115 G116 T117 Y135 | S59-F102 VanDerWaalsContact CB-O 3.27Å; S59-F102 WeakPolarHBondContact CB-O 3.3Å; S59-F102 VanDerWaalsContact OG-CB 3.31Å; S59-F102 WeakPolarHBondContact OG-CB 3.25Å; S59-F102 PolarHBondContact OG-O 2.93Å; T72-F102 HydrophobicContact CG2-CB 4.12Å; T72-F102 HydrophobicContact CG2-CD1 4.12Å; T72-F102 HydrophobicContact CG2-CD2 3.89Å; T72-F102 HydrophobicContact CG2-CE2 4.3Å; T72-F102 HydrophobicContact CG2-CG 3.8Å; G74-F102 WeakPolarHBondContact O-CB 3.41Å; G74-F102 WeakPolarHBondContact O-CD2 3.38Å; G74-F102 PolarHBondContact O-N 2.79Å; F77-F102 HydrophobicContact CD2-CE2 4.18Å; F77-F102 AromaticContact CD2-CZ 3.85Å; F77-F102 HydrophobicContact CD2-CZ 3.85Å; F77-F102 HydrophobicContact CE1-CZ 4.31Å; F77-F102 HydrophobicContact CE2-CE1 4.09Å; F77-F102 HydrophobicContact CE2-CE2 4.18Å; F77-F102 AromaticContact CE2-CZ 3.41Å; F77-F102 HydrophobicContact CE2-CZ 3.41Å; F77-F102 VanDerWaalsContact CE2-CZ 3.41Å; F77-F102 HydrophobicContact CG-CE2 4.5Å; F77-F102 HydrophobicContact CG-CZ 4.47Å; F77-F102 AromaticContact CZ-CE1 3.93Å; F77-F102 HydrophobicContact CZ-CE1 3.93Å; F77-F102 HydrophobicContact CZ-CE2 4.49Å; F77-F102 AromaticContact CZ-CZ 3.67Å; F77-F102 HydrophobicContact CZ-CZ 3.67Å; V93-F102 HydrophobicContact CB-CZ 4.32Å; V93-F102 HydrophobicContact CG1-CZ 4.04Å; V93-F102 HydrophobicContact CG2-CE1 3.98Å; V93-F102 HydrophobicContact CG2-CE2 3.65Å; V93-F102 HydrophobicContact CG2-CZ 3.3Å; F102-A115 HydrophobicContact CD1-CB 3.7Å; F102-A115 HydrophobicContact CE1-CB 3.8Å; F102-G116 WeakPolarHBondContact CA-O 3.29Å; F102-G116 WeakPolarHBondContact CD1-O 3.1Å; F102-T117 HydrophobicContact CD1-CG2 3.66Å; F102-T117 HydrophobicContact CE1-CG2 3.81Å; F102-T117 HydrophobicContact CG-CG2 4.11Å; F102-T117 HydrophobicContact CZ-CG2 4.38Å; F102-Y135 HydrophobicContact CE1-CD2 4.18Å |
| 103 | N | 98.9 | Very high | 98.1 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | -115.4 | 170.6 | -165.6 | 58.2 | 0 | 0 | 0 | 109.4 | S59 R101 G116 M118 S153 N154 | S59-N103 CarbonylContact C-O 3.57Å; S59-N103 WeakPolarHBondContact CB-O 3.33Å; S59-N103 PolarHBondContact OG-N 3.48Å; S59-N103 PolarHBondContact OG-O 3.49Å; R101-N103 PolarHBondContact NH1-OD1 2.93Å; N103-G116 PolarHBondContact N-O 2.73Å; N103-M118 HydrophobicContact CB-CG 4.08Å; N103-M118 HydrophobicContact CB-SD 3.64Å; N103-M118 VanDerWaalsContact CG-SD 3.57Å; N103-S153 WeakPolarHBondContact CB-O 3.43Å; N103-S153 PolarHBondContact ND2-O 2.82Å; N103-N154 PolarHBondContact ND2-ND2 3.5Å |
| 104 | D | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 155.3 | -179.2 | -159.6 | 11.2 | 0 | 0 | 0 | 112.7 | A115 G116 S153 G155 L156 | D104-A115 WeakPolarHBondContact O-CA 3.5Å; D104-G116 PolarHBondContact O-N 2.74Å; D104-S153 PolarHBondContact N-O 3.46Å; D104-G155 VanDerWaalsContact OD2-CA 3.29Å; D104-G155 WeakPolarHBondContact OD2-CA 3.21Å; D104-G155 PolarHBondContact OD2-N 2.8Å; D104-L156 HydrophobicContact CB-CD2 4.43Å; D104-L156 WeakPolarHBondContact OD2-CD2 3.35Å |
| 105 | G | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 143 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F114 | G105-F114 CarbonylContact C-O 3.58Å; G105-F114 WeakPolarHBondContact CA-O 3.17Å |
| 106 | K | 98.9 | Very high | 98.3 | Very high | 49 Ų | 49 | 27.4 Ų | 27.4 | 21% | 0.213 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.3 | -179.9 | -167.4 | 177.7 | -74.1 | 167.4 | 0 | 110.7 | F114 L156 D157 W158 M206 | K106-F114 PolarHBondContact N-O 2.94Å; K106-F114 PolarHBondContact O-N 2.8Å; K106-L156 HydrophobicContact CB-CD1 4.35Å; K106-L156 HydrophobicContact CB-CD2 3.66Å; K106-L156 HydrophobicContact CB-CG 3.86Å; K106-L156 WeakPolarHBondContact CD-O 3.47Å; K106-L156 WeakPolarHBondContact CE-O 3.28Å; K106-L156 PolarHBondContact NZ-O 2.73Å; K106-D157 IonicContact NZ-OD2 3.7Å; K106-D157 PolarHBondContact NZ-OD2 3.24Å; K106-W158 HydrophobicContact CB-CH2 4.44Å; K106-W158 HydrophobicContact CB-CZ3 4.08Å; K106-W158 HydrophobicContact CD-CZ3 4.11Å; K106-W158 HydrophobicContact CG-CZ3 4.02Å; K106-M206 PolarHBondContact NZ-O 2.79Å |
| 107 | V | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131.4 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | A62 R112 Y113 W158 Y295 F297 | A62-V107 HydrophobicContact CB-CG2 3.55Å; V107-R112 CarbonylContact C-O 3.52Å; V107-R112 VanDerWaalsContact CA-O 3.27Å; V107-R112 WeakPolarHBondContact CA-O 3.43Å; V107-Y113 HydrophobicContact CG2-CD2 4Å; V107-Y113 HydrophobicContact CG2-CG 4.2Å; V107-W158 WeakPolarHBondContact O-CZ3 3.38Å; V107-Y295 WeakPolarHBondContact CB-O 3.4Å; V107-Y295 WeakPolarHBondContact CG1-O 3.3Å; V107-F297 HydrophobicContact CG2-CB 3.99Å |
| 108 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -73.2 | 168.9 | 178.3 | 86.5 | -7.1 | 0 | 0 | 0 | 112.5 | A110 G111 R112 F114 W158 Y180 Y295 | D108-A110 PolarHBondContact O-N 2.86Å; D108-A110 WeakPolarHBondContact OD1-CA 3.46Å; D108-A110 WeakPolarHBondContact OD1-CB 3.47Å; D108-A110 PolarHBondContact OD1-N 3.17Å; D108-G111 PolarHBondContact O-N 3.2Å; D108-G111 PolarHBondContact OD1-N 3.07Å; D108-R112 PolarHBondContact N-O 2.76Å; D108-R112 WeakPolarHBondContact OD1-CB 3.46Å; D108-R112 WeakPolarHBondContact OD1-CG 3.21Å; D108-R112 PolarHBondContact OD1-N 3.45Å; D108-R112 WeakPolarHBondContact OD2-CD 3.46Å; D108-R112 IonicContact OD2-CZ 2.78Å; D108-R112 IonicContact OD2-NE 2.74Å; D108-R112 IonicContact OD2-NH1 3.77Å; D108-R112 PolarHBondContact OD2-NH1 2.77Å; D108-F114 HydrophobicContact CB-CD2 3.96Å; D108-F114 HydrophobicContact CB-CE2 3.82Å; D108-F114 WeakPolarHBondContact OD2-CE2 3.22Å; D108-W158 HydrophobicContact CB-CD2 4.05Å; D108-W158 VanDerWaalsContact CB-CE2 3.46Å; D108-W158 HydrophobicContact CB-CE3 4.38Å; D108-W158 HydrophobicContact CB-CH2 3.71Å; D108-W158 HydrophobicContact CB-CZ2 3.3Å; D108-W158 HydrophobicContact CB-CZ3 4.22Å; D108-Y180 VanDerWaalsContact CG-OH 3.24Å; D108-Y180 PolarHBondContact OD2-OH 2.77Å; D108-Y295 VanDerWaalsContact O-CB 3.26Å; D108-Y295 WeakPolarHBondContact O-CB 3Å | ||
| 109 | P | 98.9 | Very high | 98.7 | Very high | 21 Ų | 21 | 13.3 Ų | 13.3 | 14% | 0.136 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.5 | -179.8 | -23.4 | 33.4 | 0 | 0 | 0 | 115.7 | W158 H162 L182 Y295 | P109-W158 HydrophobicContact CG-CB 3.96Å; P109-W158 HydrophobicContact CG-CG 4.1Å; P109-H162 VanDerWaalsContact CG-CD2 3.49Å; P109-H162 WeakPolarHBondContact CG-CD2 3.17Å; P109-L182 HydrophobicContact CB-CD1 3.82Å; P109-Y295 HydrophobicContact CB-CD1 4.44Å; P109-Y295 HydrophobicContact CB-CD2 4.3Å; P109-Y295 HydrophobicContact CB-CE1 3.94Å; P109-Y295 HydrophobicContact CB-CE2 3.81Å; P109-Y295 HydrophobicContact CG-CD2 4.26Å; P109-Y295 HydrophobicContact CG-CE2 3.7Å |
| 110 | A | 98.8 | Very high | 98.8 | Very high | 39 Ų | 39 | 11.4 Ų | 11.4 | 32% | 0.322 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | D108 R112 L182 | D108-A110 PolarHBondContact O-N 2.86Å; D108-A110 WeakPolarHBondContact OD1-CA 3.46Å; D108-A110 WeakPolarHBondContact OD1-CB 3.47Å; D108-A110 PolarHBondContact OD1-N 3.17Å; A110-R112 HydrophobicContact CB-CG 4.42Å; A110-R112 VanDerWaalsContact CB-NH1 3.27Å; A110-L182 HydrophobicContact CB-CD1 3.95Å |
| 111 | G | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 85 | 25.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D108 F297 A298 | D108-G111 PolarHBondContact O-N 3.2Å; D108-G111 PolarHBondContact OD1-N 3.07Å; G111-F297 WeakPolarHBondContact O-CD2 3.46Å; G111-A298 WeakPolarHBondContact O-CB 3.44Å; G111-A298 PolarHBondContact O-N 3.44Å |
| 112 | R | 98.9 | Very high | 98.3 | Very high | 30 Ų | 30 | 20.7 Ų | 20.7 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | trans | -95.3 | 137.2 | 173.4 | -46.1 | 177.9 | -176.1 | 96.5 | 1.4 | 109.9 | V107 D108 A110 F114 T136 L137 L138 Y180 L182 H183 | V107-R112 CarbonylContact C-O 3.52Å; V107-R112 VanDerWaalsContact CA-O 3.27Å; V107-R112 WeakPolarHBondContact CA-O 3.43Å; D108-R112 PolarHBondContact N-O 2.76Å; D108-R112 WeakPolarHBondContact OD1-CB 3.46Å; D108-R112 WeakPolarHBondContact OD1-CG 3.21Å; D108-R112 PolarHBondContact OD1-N 3.45Å; D108-R112 WeakPolarHBondContact OD2-CD 3.46Å; D108-R112 IonicContact OD2-CZ 2.78Å; D108-R112 IonicContact OD2-NE 2.74Å; D108-R112 IonicContact OD2-NH1 3.77Å; D108-R112 PolarHBondContact OD2-NH1 2.77Å; A110-R112 HydrophobicContact CB-CG 4.42Å; A110-R112 VanDerWaalsContact CB-NH1 3.27Å; R112-F114 HydrophobicContact CB-CD2 4.48Å; R112-F114 HydrophobicContact CB-CE2 4.23Å; R112-F114 PolarHBondContact O-N 2.9Å; R112-T136 HydrophobicContact CB-CG2 3.44Å; R112-T136 VanDerWaalsContact CB-CG2 3.44Å; R112-T136 HydrophobicContact CG-CG2 4.4Å; R112-L137 WeakPolarHBondContact CA-O 3.32Å; R112-L138 HydrophobicContact CB-CD2 4.41Å; R112-L138 HydrophobicContact CG-CD2 4.07Å; R112-Y180 PolarHBondContact NH1-OH 2.88Å; R112-Y180 VanDerWaalsContact NH1-OH 3.07Å; R112-L182 PolarHBondContact NH1-O 2.83Å; R112-L182 PolarHBondContact NH2-O 2.71Å; R112-H183 VanDerWaalsContact NH2-C 3.27Å; R112-H183 PolarHBondContact NH2-O 3.27Å | ||
| 113 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 102.9 | -176.4 | -170 | -171.1 | 0 | 0 | 0 | 110.8 | S60 A62 V70 T72 F77 V107 T136 L137 | S60-Y113 PolarHBondContact O-OH 3.43Å; S60-Y113 PolarHBondContact OG-OH 3.48Å; A62-Y113 HydrophobicContact CB-CE1 4.46Å; A62-Y113 HydrophobicContact CB-CE2 4.07Å; V70-Y113 HydrophobicContact CB-CD1 4.12Å; V70-Y113 HydrophobicContact CB-CE1 4.07Å; V70-Y113 HydrophobicContact CG1-CD1 3.44Å; V70-Y113 VanDerWaalsContact CG1-CD1 3.44Å; V70-Y113 HydrophobicContact CG1-CE1 3.49Å; V70-Y113 VanDerWaalsContact CG1-CE1 3.49Å; V70-Y113 HydrophobicContact CG1-CG 4.27Å; V70-Y113 HydrophobicContact CG2-CD1 3.59Å; V70-Y113 HydrophobicContact CG2-CE1 3.72Å; T72-Y113 HydrophobicContact CG2-CE1 4.29Å; F77-Y113 AromaticContact CD1-CD1 3.76Å; F77-Y113 HydrophobicContact CD1-CD1 3.76Å; F77-Y113 HydrophobicContact CD1-CE1 4.08Å; F77-Y113 HydrophobicContact CD1-CG 4.43Å; F77-Y113 AromaticContact CE1-CD1 3.81Å; F77-Y113 HydrophobicContact CE1-CD1 3.81Å; F77-Y113 HydrophobicContact CE1-CE1 4.23Å; F77-Y113 HydrophobicContact CE1-CG 4.05Å; V107-Y113 HydrophobicContact CG2-CD2 4Å; V107-Y113 HydrophobicContact CG2-CG 4.2Å; Y113-T136 CarbonylContact O-C 3.48Å; Y113-T136 WeakPolarHBondContact O-CA 3.39Å; Y113-L137 PolarHBondContact N-O 2.96Å; Y113-L137 PolarHBondContact O-N 2.84Å |
| 114 | F | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 135 | 172.8 | -77.6 | -119 | 0 | 0 | 0 | 109.4 | G105 K106 D108 R112 L134 Y135 T136 H146 L156 W158 F165 Y180 | G105-F114 CarbonylContact C-O 3.58Å; G105-F114 WeakPolarHBondContact CA-O 3.17Å; K106-F114 PolarHBondContact N-O 2.94Å; K106-F114 PolarHBondContact O-N 2.8Å; D108-F114 HydrophobicContact CB-CD2 3.96Å; D108-F114 HydrophobicContact CB-CE2 3.82Å; D108-F114 WeakPolarHBondContact OD2-CE2 3.22Å; R112-F114 HydrophobicContact CB-CD2 4.48Å; R112-F114 HydrophobicContact CB-CE2 4.23Å; R112-F114 PolarHBondContact O-N 2.9Å; F114-L134 HydrophobicContact CD1-CD2 4.39Å; F114-Y135 VanDerWaalsContact CA-O 3.3Å; F114-Y135 WeakPolarHBondContact CA-O 3.24Å; F114-T136 WeakPolarHBondContact CD1-OG1 3.31Å; F114-T136 HydrophobicContact CD2-CG2 3.5Å; F114-T136 VanDerWaalsContact CD2-OG1 3.32Å; F114-T136 WeakPolarHBondContact CD2-OG1 3.44Å; F114-T136 WeakPolarHBondContact CE1-OG1 3.46Å; F114-T136 HydrophobicContact CE2-CG2 3.4Å; F114-T136 VanDerWaalsContact CE2-CG2 3.4Å; F114-T136 VanDerWaalsContact CE2-OG1 3.23Å; F114-T136 WeakPolarHBondContact CE2-OG1 3.43Å; F114-T136 HydrophobicContact CG-CG2 4.21Å; F114-T136 VanDerWaalsContact CG-OG1 3.28Å; F114-T136 WeakPolarHBondContact CG-OG1 3.29Å; F114-T136 HydrophobicContact CZ-CG2 4.05Å; F114-T136 WeakPolarHBondContact CZ-OG1 3.46Å; F114-H146 AromaticContact CE1-CD2 3.86Å; F114-H146 AromaticContact CE1-NE2 3.31Å; F114-H146 VanDerWaalsContact CE1-NE2 3.31Å; F114-H146 WeakPolarHBondContact CE1-NE2 3.4Å; F114-H146 AromaticContact CZ-NE2 3.67Å; F114-L156 HydrophobicContact CB-CD1 3.77Å; F114-W158 HydrophobicContact CB-CH2 4.06Å; F114-W158 HydrophobicContact CB-CZ2 4.21Å; F114-W158 HydrophobicContact CD1-CZ2 4.15Å; F114-W158 HydrophobicContact CD2-CH2 4.04Å; F114-W158 AromaticContact CD2-CZ2 3.61Å; F114-W158 HydrophobicContact CD2-CZ2 3.61Å; F114-W158 HydrophobicContact CE1-CZ2 4.43Å; F114-W158 AromaticContact CE2-CZ2 3.95Å; F114-W158 HydrophobicContact CE2-CZ2 3.95Å; F114-W158 HydrophobicContact CG-CH2 4.07Å; F114-W158 AromaticContact CG-CZ2 3.73Å; F114-W158 HydrophobicContact CG-CZ2 3.73Å; F114-W158 HydrophobicContact CZ-CZ2 4.35Å; F114-F165 HydrophobicContact CD1-CE2 4.39Å; F114-F165 HydrophobicContact CD1-CZ 4.27Å; F114-Y180 HydrophobicContact CZ-CE2 4.24Å |
| 115 | A | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 146 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | T72 F77 F102 D104 Y135 | T72-A115 HydrophobicContact CG2-CB 3.62Å; F77-A115 HydrophobicContact CE1-CB 3.83Å; F77-A115 HydrophobicContact CZ-CB 3.93Å; F102-A115 HydrophobicContact CD1-CB 3.7Å; F102-A115 HydrophobicContact CE1-CB 3.8Å; D104-A115 WeakPolarHBondContact O-CA 3.5Å; A115-Y135 PolarHBondContact N-O 2.83Å; A115-Y135 CarbonylContact O-C 3.57Å; A115-Y135 WeakPolarHBondContact O-CA 3.41Å; A115-Y135 WeakPolarHBondContact O-CB 3.49Å; A115-Y135 PolarHBondContact O-N 2.96Å; A115-Y135 VanDerWaalsContact O-O 3.05Å |
| 116 | G | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 163.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F102 N103 D104 A133 S153 | F102-G116 WeakPolarHBondContact CA-O 3.29Å; F102-G116 WeakPolarHBondContact CD1-O 3.1Å; N103-G116 PolarHBondContact N-O 2.73Å; D104-G116 PolarHBondContact O-N 2.74Å; G116-A133 CarbonylContact C-O 3.46Å; G116-A133 WeakPolarHBondContact CA-O 3.45Å; G116-S153 VanDerWaalsContact CA-CB 3.47Å; G116-S153 WeakPolarHBondContact CA-OG 3.38Å; G116-S153 PolarHBondContact N-OG 2.89Å |
| 117 | T | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 168.5 | -173.2 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | V93 D94 R101 F102 G132 A133 Y135 S153 | V93-T117 HydrophobicContact CG2-CG2 3.82Å; D94-T117 WeakPolarHBondContact OD2-CB 3.27Å; D94-T117 WeakPolarHBondContact OD2-CG2 3.34Å; D94-T117 PolarHBondContact OD2-OG1 2.93Å; R101-T117 CarbonylContact O-C 3.31Å; R101-T117 WeakPolarHBondContact O-CA 3.35Å; R101-T117 WeakPolarHBondContact O-CB 3.49Å; F102-T117 HydrophobicContact CD1-CG2 3.66Å; F102-T117 HydrophobicContact CE1-CG2 3.81Å; F102-T117 HydrophobicContact CG-CG2 4.11Å; F102-T117 HydrophobicContact CZ-CG2 4.38Å; T117-G132 WeakPolarHBondContact O-CA 3.48Å; T117-G132 WeakPolarHBondContact OG1-CA 3.21Å; T117-A133 PolarHBondContact N-O 2.93Å; T117-A133 PolarHBondContact OG1-N 2.76Å; T117-A133 PolarHBondContact OG1-O 3.43Å; T117-Y135 HydrophobicContact CG2-CD2 4.2Å; T117-Y135 HydrophobicContact CG2-CE2 3.98Å; T117-S153 WeakPolarHBondContact O-CB 3.19Å |
| 118 | M | 98.9 | Very high | 97 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 162.5 | 173 | 61.7 | -177.1 | -74.6 | 0 | 0 | 109 | N100 R101 N103 E121 L127 D151 I152 | N100-M118 CarbonylContact C-O 3.56Å; N100-M118 WeakPolarHBondContact CA-O 3.26Å; N100-M118 WeakPolarHBondContact CB-O 3.3Å; R101-M118 HydrophobicContact CG-CG 4.26Å; R101-M118 VanDerWaalsContact CZ-SD 3.56Å; R101-M118 PolarHBondContact N-O 2.83Å; R101-M118 PolarHBondContact NH2-SD 2.97Å; R101-M118 VanDerWaalsContact NH2-SD 3.37Å; R101-M118 PolarHBondContact O-N 3.47Å; N103-M118 HydrophobicContact CB-CG 4.08Å; N103-M118 HydrophobicContact CB-SD 3.64Å; N103-M118 VanDerWaalsContact CG-SD 3.57Å; M118-E121 HydrophobicContact CE-CG 3.63Å; M118-L127 HydrophobicContact CB-CD1 4.47Å; M118-L127 HydrophobicContact CE-CD1 4.36Å; M118-L127 HydrophobicContact CE-CD2 4.17Å; M118-D151 VanDerWaalsContact CB-O 3.27Å; M118-D151 WeakPolarHBondContact CB-O 3.31Å; M118-I152 HydrophobicContact CE-CB 4.44Å; M118-I152 HydrophobicContact CE-CD1 4.18Å; M118-I152 HydrophobicContact CE-CG1 3.83Å; M118-I152 HydrophobicContact CE-CG2 4.13Å; M118-I152 HydrophobicContact SD-CB 4.46Å; M118-I152 HydrophobicContact SD-CG1 4.47Å; M118-I152 HydrophobicContact SD-CG2 3.8Å |
| 119 | A | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 145.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110 | N100 L127 E128 Q131 | N100-A119 WeakPolarHBondContact OD1-CA 3.36Å; A119-L127 HydrophobicContact CB-CB 4.23Å; A119-L127 HydrophobicContact CB-CD1 3.96Å; A119-E128 HydrophobicContact CB-CB 4.1Å; A119-Q131 HydrophobicContact CB-CB 3.85Å; A119-Q131 HydrophobicContact CB-CG 3.99Å |
| 120 | E | 97.1 | Very high | 97 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 142 | 171.4 | -75.8 | -80.6 | -156.6 | 0 | 0 | 110.7 | N99 R101 | N99-E120 WeakPolarHBondContact O-CB 3.37Å; N99-E120 PolarHBondContact O-N 2.91Å; R101-E120 HydrophobicContact CB-CG 4.44Å; R101-E120 VanDerWaalsContact CD-CD 3.4Å; R101-E120 WeakPolarHBondContact CD-OE1 3.35Å; R101-E120 VanDerWaalsContact CD-OE2 3.23Å; R101-E120 WeakPolarHBondContact CD-OE2 3.12Å; R101-E120 HydrophobicContact CG-CG 4.06Å; R101-E120 IonicContact NE-OE2 2.71Å; R101-E120 PolarHBondContact NE-OE2 2.85Å |
| 121 | E | 95.1 | Very high | 97 | Very high | 59 Ų | 59 | 46.7 Ų | 46.7 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -84 | 144.3 | -173.9 | -70.8 | 167.9 | 113.6 | 0 | 0 | 112 | R101 M118 P124 A125 L127 | R101-E121 IonicContact NH2-OE2 3.32Å; R101-E121 PolarHBondContact NH2-OE2 2.83Å; M118-E121 HydrophobicContact CE-CG 3.63Å; E121-P124 WeakPolarHBondContact OE1-CA 3.41Å; E121-A125 PolarHBondContact OE1-N 2.7Å; E121-L127 HydrophobicContact CG-CB 4.3Å; E121-L127 HydrophobicContact CG-CD2 4.09Å |
| 122 | I | 93 | Very high | 97 | Very high | 154 Ų | 154 | 46.6 Ų | 46.6 | 79% | 0.79 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -80.6 | -37.8 | 166 | -60.7 | 170.2 | 0 | 0 | 0 | 109.6 | V126 | I122-V126 PolarHBondContact N-O 2.69Š|
| 123 | R | 90.2 | Very high | 97 | Very high | 167 Ų | 167 | 45.2 Ų | 45.2 | 63% | 0.63 | 21% | 0.214 | S | C | * | . | B | Isolated β-bridge | trans | -156.7 | 165.2 | 172.4 | 63 | -179.8 | 177.7 | 109.8 | -0.2 | 107.7 | A125 V126 | R123-A125 PolarHBondContact O-N 3.23Å; R123-V126 HydrophobicContact CG-CB 3.67Å; R123-V126 HydrophobicContact CG-CG1 4.35Å; R123-V126 HydrophobicContact CG-CG2 3.73Å; R123-V126 PolarHBondContact O-N 3.48Å |
| 124 | P | 90.3 | Very high | 97 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 128.8 | -173.8 | -31 | 36.5 | 0 | 0 | 0 | 113.6 | E121 V126 Y219 | E121-P124 WeakPolarHBondContact OE1-CA 3.41Å; P124-V126 PolarHBondContact O-N 2.69Å; P124-Y219 HydrophobicContact CB-CE1 4.3Å; P124-Y219 WeakPolarHBondContact CB-OH 3.33Å |
| 125 | A | 91.7 | Very high | 97 | Very high | 29 Ų | 29 | 46 Ų | 46 | 24% | 0.24 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 17.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E121 R123 L171 I202 | E121-A125 PolarHBondContact OE1-N 2.7Å; R123-A125 PolarHBondContact O-N 3.23Å; A125-L171 HydrophobicContact CB-CD2 4.09Å; A125-I202 HydrophobicContact CB-CD1 3.84Å |
| 126 | V | 97.1 | Very high | 97 | Very high | 53 Ų | 53 | 46 Ų | 46 | 32% | 0.321 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -119.9 | 100.7 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | I122 R123 P124 | I122-V126 PolarHBondContact N-O 2.69Å; R123-V126 HydrophobicContact CG-CB 3.67Å; R123-V126 HydrophobicContact CG-CG1 4.35Å; R123-V126 HydrophobicContact CG-CG2 3.73Å; R123-V126 PolarHBondContact O-N 3.48Å; P124-V126 PolarHBondContact O-N 2.69Å |
| 127 | L | 98.1 | Very high | 97 | Very high | 20 Ų | 20 | 46 Ų | 46 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -145.4 | 173.5 | -176.5 | 60.7 | 138.5 | 0 | 0 | 0 | 110.9 | M118 A119 E121 R129 D151 I152 L171 | M118-L127 HydrophobicContact CB-CD1 4.47Å; M118-L127 HydrophobicContact CE-CD1 4.36Å; M118-L127 HydrophobicContact CE-CD2 4.17Å; A119-L127 HydrophobicContact CB-CB 4.23Å; A119-L127 HydrophobicContact CB-CD1 3.96Å; E121-L127 HydrophobicContact CG-CB 4.3Å; E121-L127 HydrophobicContact CG-CD2 4.09Å; L127-R129 PolarHBondContact O-N 3.37Å; L127-D151 WeakPolarHBondContact CD1-O 3.44Å; L127-I152 HydrophobicContact CD1-CG1 4.26Å; L127-I152 HydrophobicContact CD2-CD1 3.6Å; L127-I152 HydrophobicContact CD2-CG1 3.63Å; L127-L171 HydrophobicContact CD2-CD1 4.37Å |
| 128 | E | 98.3 | Very high | 97 | Very high | 122 Ų | 122 | 47.9 Ų | 47.9 | 57% | 0.57 | 23% | 0.228 | S | C | * | . | trans | -67.6 | 124.3 | 168.3 | -172.2 | 179 | 177.5 | 0 | 0 | 110.4 | A119 Q131 | A119-E128 HydrophobicContact CB-CB 4.1Å; E128-Q131 HydrophobicContact CB-CG 3.85Å; E128-Q131 HydrophobicContact CG-CG 3.63Å; E128-Q131 WeakPolarHBondContact O-CG 3.35Å; E128-Q131 PolarHBondContact OE1-NE2 3.17Å | ||
| 129 | R | 98.4 | Very high | 96.9 | Very high | 129 Ų | 129 | 50.4 Ų | 50.4 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 149.6 | -172.5 | -60.3 | -68.4 | -63.8 | -100.4 | 2.6 | 112.4 | L127 Q131 D151 | L127-R129 PolarHBondContact O-N 3.37Å; R129-Q131 PolarHBondContact O-N 2.85Å; R129-Q131 PolarHBondContact O-NE2 2.93Å; R129-D151 WeakPolarHBondContact CA-OD1 3.28Å; R129-D151 WeakPolarHBondContact CB-OD1 3.36Å; R129-D151 VanDerWaalsContact CD-OD1 3.29Å; R129-D151 WeakPolarHBondContact CD-OD1 3.36Å; R129-D151 IonicContact CZ-OD1 3.79Å; R129-D151 IonicContact CZ-OD2 3.22Å; R129-D151 VanDerWaalsContact CZ-OD2 3.22Å; R129-D151 IonicContact NE-OD1 2.78Å; R129-D151 PolarHBondContact NE-OD1 2.83Å; R129-D151 IonicContact NE-OD2 2.97Å; R129-D151 PolarHBondContact NE-OD2 2.88Å; R129-D151 IonicContact NH2-OD1 3.95Å; R129-D151 IonicContact NH2-OD2 2.71Å; R129-D151 PolarHBondContact NH2-OD2 3.39Å |
| 130 | H | 98.5 | Very high | 96.9 | Very high | 78 Ų | 78 | 56 Ų | 56 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 25.6 | 170.6 | -47 | 131.6 | 0 | 0 | 0 | 115.2 | Q149 V150 D151 | H130-Q149 HydrophobicContact CB-CB 4.19Å; H130-V150 CarbonylContact C-O 3.55Å; H130-V150 VanDerWaalsContact C-O 3.31Å; H130-V150 VanDerWaalsContact CA-O 3.29Å; H130-V150 WeakPolarHBondContact CA-O 3.26Å; H130-D151 IonicContact CD2-OD1 2.71Å; H130-D151 PolarHBondContact CD2-OD1 3.25Å; H130-D151 IonicContact CD2-OD2 3.53Å; H130-D151 IonicContact CG-OD1 3.85Å; H130-D151 PolarHBondContact N-OD1 2.74Å; H130-D151 IonicContact NE2-OD1 3.86Å; H130-D151 IonicContact NE2-OD2 3.73Å |
| 131 | Q | 98.8 | Very high | 96.9 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | trans | -84.7 | -15.5 | 179.8 | -62.7 | -52.1 | -48.2 | 0 | 0 | 113.6 | K97 N100 A119 E128 R129 V150 | K97-Q131 WeakPolarHBondContact CD-O 3.18Å; K97-Q131 PolarHBondContact NZ-O 3.44Å; N100-Q131 PolarHBondContact ND2-O 3.2Å; A119-Q131 HydrophobicContact CB-CB 3.85Å; A119-Q131 HydrophobicContact CB-CG 3.99Å; E128-Q131 HydrophobicContact CB-CG 3.85Å; E128-Q131 HydrophobicContact CG-CG 3.63Å; E128-Q131 WeakPolarHBondContact O-CG 3.35Å; E128-Q131 PolarHBondContact OE1-NE2 3.17Å; R129-Q131 PolarHBondContact O-N 2.85Å; R129-Q131 PolarHBondContact O-NE2 2.93Å; Q131-V150 PolarHBondContact N-O 2.89Å | ||
| 132 | G | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 165.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T117 D148 Q149 V150 | T117-G132 WeakPolarHBondContact O-CA 3.48Å; T117-G132 WeakPolarHBondContact OG1-CA 3.21Å; G132-D148 WeakPolarHBondContact O-CA 3.13Å; G132-Q149 PolarHBondContact O-N 2.91Å; G132-V150 VanDerWaalsContact CA-O 3.31Å; G132-V150 WeakPolarHBondContact CA-O 3.24Å; G132-V150 PolarHBondContact N-O 3.45Å; G132-V150 PolarHBondContact O-N 3.31Å; G132-V150 VanDerWaalsContact O-N 3.11Å |
| 133 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 154.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | G116 T117 Y135 K145 F147 D148 | G116-A133 CarbonylContact C-O 3.46Å; G116-A133 WeakPolarHBondContact CA-O 3.45Å; T117-A133 PolarHBondContact N-O 2.93Å; T117-A133 PolarHBondContact OG1-N 2.76Å; T117-A133 PolarHBondContact OG1-O 3.43Å; A133-Y135 HydrophobicContact CB-CD2 4.35Å; A133-Y135 HydrophobicContact CB-CE2 3.55Å; A133-Y135 WeakPolarHBondContact O-CD2 3.32Å; A133-K145 HydrophobicContact CB-CD 4.42Å; A133-K145 HydrophobicContact CB-CG 4.39Å; A133-F147 VanDerWaalsContact CA-O 3.26Å; A133-F147 WeakPolarHBondContact CA-O 3.47Å; A133-F147 VanDerWaalsContact CB-O 3.24Å; A133-F147 WeakPolarHBondContact CB-O 3.35Å; A133-D148 HydrophobicContact CB-CB 3.95Å |
| 134 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.1 | 173.5 | -178.7 | 64 | 0 | 0 | 0 | 110.3 | F114 H146 F147 F165 Y167 I187 | F114-L134 HydrophobicContact CD1-CD2 4.39Å; L134-H146 PolarHBondContact O-N 3.37Å; L134-F147 HydrophobicContact CB-CD2 4.35Å; L134-F147 HydrophobicContact CB-CE1 4.21Å; L134-F147 HydrophobicContact CB-CE2 3.87Å; L134-F147 HydrophobicContact CB-CZ 3.8Å; L134-F147 HydrophobicContact CD2-CE1 3.71Å; L134-F147 HydrophobicContact CD2-CZ 3.61Å; L134-F147 HydrophobicContact CG-CZ 4.36Å; L134-F147 PolarHBondContact N-O 2.83Å; L134-F165 HydrophobicContact CD2-CE1 3.63Å; L134-F165 HydrophobicContact CD2-CZ 3.83Å; L134-Y167 HydrophobicContact CD1-CD2 4.48Å; L134-Y167 HydrophobicContact CD1-CE2 3.93Å; L134-Y167 HydrophobicContact CD2-CD2 4.27Å; L134-Y167 HydrophobicContact CD2-CE2 4.23Å; L134-I187 HydrophobicContact CD2-CD1 4Å |
| 135 | Y | 98.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 49 Ų | 49 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 161.1 | -179.7 | -62.2 | -83.3 | 0 | 0 | 0 | 112 | V93 D94 F102 F114 A115 T117 A133 V143 V144 K145 | V93-Y135 HydrophobicContact CB-CD1 4.36Å; V93-Y135 HydrophobicContact CB-CD2 4.21Å; V93-Y135 HydrophobicContact CB-CE1 4.11Å; V93-Y135 HydrophobicContact CB-CE2 3.95Å; V93-Y135 HydrophobicContact CB-CG 4.41Å; V93-Y135 HydrophobicContact CG1-CD1 3.91Å; V93-Y135 HydrophobicContact CG1-CD2 4.23Å; V93-Y135 HydrophobicContact CG1-CE1 4.11Å; V93-Y135 HydrophobicContact CG1-CE2 4.41Å; V93-Y135 HydrophobicContact CG1-CG 3.97Å; V93-Y135 HydrophobicContact CG2-CD2 4.05Å; V93-Y135 HydrophobicContact CG2-CE2 3.89Å; D94-Y135 PolarHBondContact OD1-OH 2.89Å; F102-Y135 HydrophobicContact CE1-CD2 4.18Å; F114-Y135 VanDerWaalsContact CA-O 3.3Å; F114-Y135 WeakPolarHBondContact CA-O 3.24Å; A115-Y135 PolarHBondContact N-O 2.83Å; A115-Y135 CarbonylContact O-C 3.57Å; A115-Y135 WeakPolarHBondContact O-CA 3.41Å; A115-Y135 WeakPolarHBondContact O-CB 3.49Å; A115-Y135 PolarHBondContact O-N 2.96Å; A115-Y135 VanDerWaalsContact O-O 3.05Å; T117-Y135 HydrophobicContact CG2-CD2 4.2Å; T117-Y135 HydrophobicContact CG2-CE2 3.98Å; A133-Y135 HydrophobicContact CB-CD2 4.35Å; A133-Y135 HydrophobicContact CB-CE2 3.55Å; A133-Y135 WeakPolarHBondContact O-CD2 3.32Å; Y135-V143 HydrophobicContact CD1-CG1 3.8Å; Y135-V143 HydrophobicContact CG-CG1 4.33Å; Y135-V144 CarbonylContact C-O 3.52Å; Y135-V144 VanDerWaalsContact CA-O 3.24Å; Y135-V144 WeakPolarHBondContact CA-O 3.33Å; Y135-K145 HydrophobicContact CD1-CB 3.76Å; Y135-K145 HydrophobicContact CD1-CG 3.98Å; Y135-K145 HydrophobicContact CE1-CB 3.55Å; Y135-K145 HydrophobicContact CE1-CD 3.82Å; Y135-K145 HydrophobicContact CE1-CG 3.48Å; Y135-K145 VanDerWaalsContact CE1-CG 3.48Å |
| 136 | T | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127.5 | 167.8 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | R112 Y113 F114 L138 V143 V144 H146 | R112-T136 HydrophobicContact CB-CG2 3.44Å; R112-T136 VanDerWaalsContact CB-CG2 3.44Å; R112-T136 HydrophobicContact CG-CG2 4.4Å; Y113-T136 CarbonylContact O-C 3.48Å; Y113-T136 WeakPolarHBondContact O-CA 3.39Å; F114-T136 WeakPolarHBondContact CD1-OG1 3.31Å; F114-T136 HydrophobicContact CD2-CG2 3.5Å; F114-T136 VanDerWaalsContact CD2-OG1 3.32Å; F114-T136 WeakPolarHBondContact CD2-OG1 3.44Å; F114-T136 WeakPolarHBondContact CE1-OG1 3.46Å; F114-T136 HydrophobicContact CE2-CG2 3.4Å; F114-T136 VanDerWaalsContact CE2-CG2 3.4Å; F114-T136 VanDerWaalsContact CE2-OG1 3.23Å; F114-T136 WeakPolarHBondContact CE2-OG1 3.43Å; F114-T136 HydrophobicContact CG-CG2 4.21Å; F114-T136 VanDerWaalsContact CG-OG1 3.28Å; F114-T136 WeakPolarHBondContact CG-OG1 3.29Å; F114-T136 HydrophobicContact CZ-CG2 4.05Å; F114-T136 WeakPolarHBondContact CZ-OG1 3.46Å; T136-L138 HydrophobicContact CG2-CD2 4.03Å; T136-V143 WeakPolarHBondContact O-CA 3.48Å; T136-V144 PolarHBondContact N-O 2.82Å; T136-V144 PolarHBondContact O-N 2.64Å; T136-H146 PolarHBondContact OG1-CD2 3.33Å; T136-H146 PolarHBondContact OG1-NE2 3.09Å |
| 137 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.6 | 164.7 | -176.8 | 72.1 | 0 | 0 | 0 | 109.6 | V70 F77 I90 T91 R112 Y113 L141 V143 F297 | V70-L137 HydrophobicContact CG2-CD2 4.42Å; F77-L137 HydrophobicContact CB-CD2 3.93Å; F77-L137 HydrophobicContact CD1-CB 4.11Å; F77-L137 HydrophobicContact CD1-CD2 4.13Å; F77-L137 HydrophobicContact CD2-CB 4.08Å; F77-L137 HydrophobicContact CD2-CD1 4.35Å; F77-L137 HydrophobicContact CE1-CB 4.07Å; F77-L137 HydrophobicContact CE2-CB 4.04Å; F77-L137 HydrophobicContact CG-CB 4.11Å; F77-L137 HydrophobicContact CG-CD1 4.48Å; F77-L137 HydrophobicContact CG-CD2 3.99Å; F77-L137 HydrophobicContact CG-CG 4.44Å; F77-L137 HydrophobicContact CZ-CB 4.04Å; I90-L137 HydrophobicContact CD1-CD2 4.04Å; I90-L137 HydrophobicContact CG2-CD1 4.02Å; I90-L137 HydrophobicContact CG2-CD2 4.33Å; T91-L137 HydrophobicContact CG2-CD1 3.9Å; R112-L137 WeakPolarHBondContact CA-O 3.32Å; Y113-L137 PolarHBondContact N-O 2.96Å; Y113-L137 PolarHBondContact O-N 2.84Å; L137-L141 WeakPolarHBondContact CD1-O 3.2Å; L137-V143 HydrophobicContact CD1-CG2 3.92Å; L137-F297 HydrophobicContact CB-CE2 4.48Å; L137-F297 HydrophobicContact CD2-CE1 3.97Å; L137-F297 HydrophobicContact CD2-CE2 4.02Å; L137-F297 HydrophobicContact CD2-CZ 3.53Å; L137-F297 HydrophobicContact CG-CE2 4.06Å; L137-F297 HydrophobicContact CG-CZ 3.82Å |
| 138 | L | 98.8 | Very high | 98.6 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | trans | -83.8 | 165.6 | 176.7 | -58.4 | -169.9 | 0 | 0 | 0 | 111.4 | R112 T136 D140 L141 S142 V144 F297 | R112-L138 HydrophobicContact CB-CD2 4.41Å; R112-L138 HydrophobicContact CG-CD2 4.07Å; T136-L138 HydrophobicContact CG2-CD2 4.03Å; L138-D140 WeakPolarHBondContact CB-OD1 3.33Å; L138-D140 PolarHBondContact O-N 2.88Å; L138-L141 WeakPolarHBondContact O-CA 3.44Å; L138-L141 PolarHBondContact O-N 3.47Å; L138-S142 WeakPolarHBondContact CD1-OG 3.06Å; L138-S142 PolarHBondContact N-O 2.81Å; L138-V144 HydrophobicContact CD1-CG2 3.94Å; L138-V144 HydrophobicContact CD2-CG2 4.41Å; L138-V144 HydrophobicContact CG-CG2 4.21Å; L138-F297 WeakPolarHBondContact O-CZ 3.45Å | ||
| 139 | A | 97.8 | Very high | 98.6 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 45% | 0.446 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L141 A298 G299 | A139-L141 PolarHBondContact O-N 2.79Å; A139-A298 HydrophobicContact CB-CB 4.02Å; A139-G299 WeakPolarHBondContact O-CA 3.49Å |
| 140 | D | 97.9 | Very high | 98.7 | Very high | 117 Ų | 117 | 45.2 Ų | 45.2 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 10.3 | 173.3 | 69.2 | -5.4 | 0 | 0 | 0 | 113.2 | L138 S142 | L138-D140 WeakPolarHBondContact CB-OD1 3.33Å; L138-D140 PolarHBondContact O-N 2.88Å; D140-S142 PolarHBondContact O-N 3.32Å; D140-S142 VanDerWaalsContact OD1-CB 3.28Å; D140-S142 WeakPolarHBondContact OD1-CB 3.29Å; D140-S142 PolarHBondContact OD1-N 3.32Å; D140-S142 PolarHBondContact OD1-OG 2.78Å; D140-S142 PolarHBondContact OD2-OG 3.09Å |
| 141 | L | 98.4 | Very high | 98.7 | Very high | 72 Ų | 72 | 41.8 Ų | 41.8 | 38% | 0.377 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 68.2 | 7.5 | -179.4 | -46.1 | 178.1 | 0 | 0 | 0 | 115 | I90 L137 L138 A139 F297 | I90-L141 HydrophobicContact CD1-CD2 4.45Å; I90-L141 HydrophobicContact CG2-CB 3.79Å; I90-L141 HydrophobicContact CG2-CD1 4.19Å; I90-L141 HydrophobicContact CG2-CD2 3.88Å; I90-L141 HydrophobicContact CG2-CG 4.16Å; L137-L141 WeakPolarHBondContact CD1-O 3.2Å; L138-L141 WeakPolarHBondContact O-CA 3.44Å; L138-L141 PolarHBondContact O-N 3.47Å; A139-L141 PolarHBondContact O-N 2.79Å; L141-F297 HydrophobicContact CD2-CE1 4.17Å; L141-F297 HydrophobicContact CD2-CZ 4.09Å |
| 142 | S | 98.4 | Very high | 98.7 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | trans | -74.7 | 157.7 | 168.6 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | L138 D140 | L138-S142 WeakPolarHBondContact CD1-OG 3.06Å; L138-S142 PolarHBondContact N-O 2.81Å; D140-S142 PolarHBondContact O-N 3.32Å; D140-S142 VanDerWaalsContact OD1-CB 3.28Å; D140-S142 WeakPolarHBondContact OD1-CB 3.29Å; D140-S142 PolarHBondContact OD1-N 3.32Å; D140-S142 PolarHBondContact OD1-OG 2.78Å; D140-S142 PolarHBondContact OD2-OG 3.09Å | ||
| 143 | V | 98.8 | Very high | 98.7 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 30% | 0.303 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.5 | -177.6 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | F77 T91 V93 Y135 T136 L137 | F77-V143 HydrophobicContact CD2-CG2 4.41Å; F77-V143 HydrophobicContact CE2-CG2 4.48Å; T91-V143 HydrophobicContact CG2-CG2 3.37Å; V93-V143 HydrophobicContact CG1-CG1 3.95Å; Y135-V143 HydrophobicContact CD1-CG1 3.8Å; Y135-V143 HydrophobicContact CG-CG1 4.33Å; T136-V143 WeakPolarHBondContact O-CA 3.48Å; L137-V143 HydrophobicContact CD1-CG2 3.92Å |
| 144 | V | 98.6 | Very high | 98.7 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 35% | 0.345 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.2 | 169.7 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | Y135 T136 L138 | Y135-V144 CarbonylContact C-O 3.52Å; Y135-V144 VanDerWaalsContact CA-O 3.24Å; Y135-V144 WeakPolarHBondContact CA-O 3.33Å; T136-V144 PolarHBondContact N-O 2.82Å; T136-V144 PolarHBondContact O-N 2.64Å; L138-V144 HydrophobicContact CD1-CG2 3.94Å; L138-V144 HydrophobicContact CD2-CG2 4.41Å; L138-V144 HydrophobicContact CG-CG2 4.21Å |
| 145 | K | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 40.4 Ų | 40.4 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 126.9 | 166.3 | -173.9 | -179.7 | 175.8 | -169 | 0 | 108.2 | A133 Y135 D148 | A133-K145 HydrophobicContact CB-CD 4.42Å; A133-K145 HydrophobicContact CB-CG 4.39Å; Y135-K145 HydrophobicContact CD1-CB 3.76Å; Y135-K145 HydrophobicContact CD1-CG 3.98Å; Y135-K145 HydrophobicContact CE1-CB 3.55Å; Y135-K145 HydrophobicContact CE1-CD 3.82Å; Y135-K145 HydrophobicContact CE1-CG 3.48Å; Y135-K145 VanDerWaalsContact CE1-CG 3.48Å; K145-D148 IonicContact NZ-OD2 3.9Å; K145-D148 PolarHBondContact NZ-OD2 2.79Å |
| 146 | H | 98.7 | Very high | 98.7 | Very high | 48 Ų | 48 | 39.6 Ų | 39.6 | 22% | 0.222 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -53.2 | -179.8 | -69.1 | -74.5 | 0 | 0 | 0 | 112.4 | F114 L134 T136 G185 I187 | F114-H146 AromaticContact CE1-CD2 3.86Å; F114-H146 AromaticContact CE1-NE2 3.31Å; F114-H146 VanDerWaalsContact CE1-NE2 3.31Å; F114-H146 WeakPolarHBondContact CE1-NE2 3.4Å; F114-H146 AromaticContact CZ-NE2 3.67Å; L134-H146 PolarHBondContact O-N 3.37Å; T136-H146 PolarHBondContact OG1-CD2 3.33Å; T136-H146 PolarHBondContact OG1-NE2 3.09Å; H146-G185 PolarHBondContact CE1-O 3.09Å; H146-G185 VanDerWaalsContact CE1-O 3.31Å; H146-I187 HydrophobicContact CB-CD1 3.87Å; H146-I187 HydrophobicContact CB-CG1 4.23Å |
| 147 | F | 98.8 | Very high | 98.7 | Very high | 40 Ų | 40 | 40 Ų | 40 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 164.1 | 178.3 | 53.3 | -101 | 0 | 0 | 0 | 110.3 | A133 L134 V150 Y167 F178 I187 | A133-F147 VanDerWaalsContact CA-O 3.26Å; A133-F147 WeakPolarHBondContact CA-O 3.47Å; A133-F147 VanDerWaalsContact CB-O 3.24Å; A133-F147 WeakPolarHBondContact CB-O 3.35Å; L134-F147 HydrophobicContact CB-CD2 4.35Å; L134-F147 HydrophobicContact CB-CE1 4.21Å; L134-F147 HydrophobicContact CB-CE2 3.87Å; L134-F147 HydrophobicContact CB-CZ 3.8Å; L134-F147 HydrophobicContact CD2-CE1 3.71Å; L134-F147 HydrophobicContact CD2-CZ 3.61Å; L134-F147 HydrophobicContact CG-CZ 4.36Å; L134-F147 PolarHBondContact N-O 2.83Å; F147-V150 HydrophobicContact CD2-CG2 3.87Å; F147-V150 HydrophobicContact CE2-CG2 3.63Å; F147-Y167 AromaticContact CE2-CE1 3.92Å; F147-Y167 HydrophobicContact CE2-CE1 3.92Å; F147-Y167 AromaticContact CZ-CD1 4Å; F147-Y167 HydrophobicContact CZ-CD1 4Å; F147-Y167 AromaticContact CZ-CE1 3.79Å; F147-Y167 HydrophobicContact CZ-CE1 3.79Å; F147-F178 HydrophobicContact CD1-CE1 4.26Å; F147-F178 HydrophobicContact CD1-CZ 4.42Å; F147-F178 AromaticContact CE1-CE1 3.72Å; F147-F178 HydrophobicContact CE1-CE1 3.72Å; F147-F178 HydrophobicContact CE1-CE2 4.44Å; F147-F178 AromaticContact CE1-CZ 3.54Å; F147-F178 HydrophobicContact CE1-CZ 3.54Å; F147-F178 HydrophobicContact CZ-CE1 4.47Å; F147-F178 AromaticContact CZ-CZ 3.85Å; F147-F178 HydrophobicContact CZ-CZ 3.85Å; F147-I187 HydrophobicContact CD1-CD1 4.15Å; F147-I187 HydrophobicContact CE1-CD1 3.65Å |
| 148 | D | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -160.5 | 172.6 | 52.8 | 31.1 | 0 | 0 | 0 | 111.5 | G132 A133 K145 V150 | G132-D148 WeakPolarHBondContact O-CA 3.13Å; A133-D148 HydrophobicContact CB-CB 3.95Å; K145-D148 IonicContact NZ-OD2 3.9Å; K145-D148 PolarHBondContact NZ-OD2 2.79Å; D148-V150 VanDerWaalsContact C-N 3.26Å; D148-V150 PolarHBondContact O-N 2.92Å |
| 149 | Q | 98.6 | Very high | 98.7 | Very high | 116 Ų | 116 | 39 Ų | 39 | 54% | 0.542 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 62 | 33.2 | -171.5 | -51 | -58.3 | -62.9 | 0 | 0 | 113.1 | H130 G132 | H130-Q149 HydrophobicContact CB-CB 4.19Å; G132-Q149 PolarHBondContact O-N 2.91Å |
| 150 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 137.1 | 173.5 | 178.7 | 0 | 0 | 0 | 0 | 109 | H130 Q131 G132 F147 D148 S153 Y167 D169 | H130-V150 CarbonylContact C-O 3.55Å; H130-V150 VanDerWaalsContact C-O 3.31Å; H130-V150 VanDerWaalsContact CA-O 3.29Å; H130-V150 WeakPolarHBondContact CA-O 3.26Å; Q131-V150 PolarHBondContact N-O 2.89Å; G132-V150 VanDerWaalsContact CA-O 3.31Å; G132-V150 WeakPolarHBondContact CA-O 3.24Å; G132-V150 PolarHBondContact N-O 3.45Å; G132-V150 PolarHBondContact O-N 3.31Å; G132-V150 VanDerWaalsContact O-N 3.11Å; F147-V150 HydrophobicContact CD2-CG2 3.87Å; F147-V150 HydrophobicContact CE2-CG2 3.63Å; D148-V150 VanDerWaalsContact C-N 3.26Å; D148-V150 PolarHBondContact O-N 2.92Å; V150-S153 VanDerWaalsContact CG1-N 3.34Å; V150-Y167 WeakPolarHBondContact CG1-OH 3.27Å; V150-D169 WeakPolarHBondContact CA-OD2 3.36Å; V150-D169 HydrophobicContact CG1-CB 4.33Å |
| 151 | D | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -79.8 | -66.1 | 169.6 | -75.6 | -48.5 | 0 | 0 | 0 | 110.7 | M118 L127 R129 H130 D169 L171 | M118-D151 VanDerWaalsContact CB-O 3.27Å; M118-D151 WeakPolarHBondContact CB-O 3.31Å; L127-D151 WeakPolarHBondContact CD1-O 3.44Å; R129-D151 WeakPolarHBondContact CA-OD1 3.28Å; R129-D151 WeakPolarHBondContact CB-OD1 3.36Å; R129-D151 VanDerWaalsContact CD-OD1 3.29Å; R129-D151 WeakPolarHBondContact CD-OD1 3.36Å; R129-D151 IonicContact CZ-OD1 3.79Å; R129-D151 IonicContact CZ-OD2 3.22Å; R129-D151 VanDerWaalsContact CZ-OD2 3.22Å; R129-D151 IonicContact NE-OD1 2.78Å; R129-D151 PolarHBondContact NE-OD1 2.83Å; R129-D151 IonicContact NE-OD2 2.97Å; R129-D151 PolarHBondContact NE-OD2 2.88Å; R129-D151 IonicContact NH2-OD1 3.95Å; R129-D151 IonicContact NH2-OD2 2.71Å; R129-D151 PolarHBondContact NH2-OD2 3.39Å; H130-D151 IonicContact CD2-OD1 2.71Å; H130-D151 PolarHBondContact CD2-OD1 3.25Å; H130-D151 IonicContact CD2-OD2 3.53Å; H130-D151 IonicContact CG-OD1 3.85Å; H130-D151 PolarHBondContact N-OD1 2.74Å; H130-D151 IonicContact NE2-OD1 3.86Å; H130-D151 IonicContact NE2-OD2 3.73Å; D151-D169 WeakPolarHBondContact CB-OD1 3.34Å; D151-D169 PolarHBondContact N-OD1 2.98Å; D151-D169 PolarHBondContact N-OD2 2.6Å; D151-L171 HydrophobicContact CB-CB 3.74Å; D151-L171 HydrophobicContact CB-CD1 3.8Å; D151-L171 HydrophobicContact CB-CG 3.85Å |
| 152 | I | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -131.2 | 100 | 179.9 | -57.9 | 179.8 | 0 | 0 | 0 | 108.1 | M118 L127 N154 D169 S170 L171 | M118-I152 HydrophobicContact CE-CB 4.44Å; M118-I152 HydrophobicContact CE-CD1 4.18Å; M118-I152 HydrophobicContact CE-CG1 3.83Å; M118-I152 HydrophobicContact CE-CG2 4.13Å; M118-I152 HydrophobicContact SD-CB 4.46Å; M118-I152 HydrophobicContact SD-CG1 4.47Å; M118-I152 HydrophobicContact SD-CG2 3.8Å; L127-I152 HydrophobicContact CD1-CG1 4.26Å; L127-I152 HydrophobicContact CD2-CD1 3.6Å; L127-I152 HydrophobicContact CD2-CG1 3.63Å; I152-N154 PolarHBondContact O-N 2.84Å; I152-D169 PolarHBondContact N-OD1 2.88Å; I152-D169 WeakPolarHBondContact O-CA 3.48Å; I152-S170 PolarHBondContact O-N 2.95Å; I152-L171 HydrophobicContact CD1-CD1 4.32Å; I152-L171 HydrophobicContact CD1-CD2 3.92Å; I152-L171 HydrophobicContact CD1-CG 3.92Å; I152-L171 HydrophobicContact CG1-CD1 4.45Å; I152-L171 HydrophobicContact CG1-CG 4.1Å |
| 153 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 121.7 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | N103 D104 G116 T117 V150 Y167 | N103-S153 WeakPolarHBondContact CB-O 3.43Å; N103-S153 PolarHBondContact ND2-O 2.82Å; D104-S153 PolarHBondContact N-O 3.46Å; G116-S153 VanDerWaalsContact CA-CB 3.47Å; G116-S153 WeakPolarHBondContact CA-OG 3.38Å; G116-S153 PolarHBondContact N-OG 2.89Å; T117-S153 WeakPolarHBondContact O-CB 3.19Å; V150-S153 VanDerWaalsContact CG1-N 3.34Å; S153-Y167 VanDerWaalsContact CA-OH 3.31Å; S153-Y167 WeakPolarHBondContact CA-OH 3.5Å; S153-Y167 VanDerWaalsContact CB-OH 3.29Å; S153-Y167 WeakPolarHBondContact CB-OH 3.3Å; S153-Y167 PolarHBondContact OG-OH 3.43Å; S153-Y167 VanDerWaalsContact OG-OH 3.05Å |
| 154 | N | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | -152.7 | -170.9 | -139.6 | -44 | 0 | 0 | 0 | 112.7 | N103 I152 L156 I168 S170 D204 G205 | N103-N154 PolarHBondContact ND2-ND2 3.5Å; I152-N154 PolarHBondContact O-N 2.84Å; N154-L156 PolarHBondContact O-N 3.5Å; N154-I168 CarbonylContact C-O 3.57Å; N154-I168 WeakPolarHBondContact CA-O 3.39Å; N154-I168 HydrophobicContact CB-CB 4.32Å; N154-I168 HydrophobicContact CB-CG2 4.02Å; N154-I168 PolarHBondContact N-O 3.33Å; N154-S170 VanDerWaalsContact CB-OG 3.27Å; N154-S170 WeakPolarHBondContact CB-OG 3.02Å; N154-S170 PolarHBondContact ND2-OG 3.5Å; N154-D204 PolarHBondContact ND2-OD1 2.92Å; N154-D204 PolarHBondContact OD1-O 3.24Å; N154-D204 PolarHBondContact OD1-OD1 3.06Å; N154-G205 PolarHBondContact OD1-N 3.12Å |
| 155 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -34.6 | 130.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D104 Y167 I168 D204 M206 | D104-G155 VanDerWaalsContact OD2-CA 3.29Å; D104-G155 WeakPolarHBondContact OD2-CA 3.21Å; D104-G155 PolarHBondContact OD2-N 2.8Å; G155-Y167 CarbonylContact O-C 3.51Å; G155-Y167 WeakPolarHBondContact O-CA 3.44Å; G155-I168 WeakPolarHBondContact O-CB 3.36Å; G155-I168 PolarHBondContact O-N 2.91Å; G155-D204 WeakPolarHBondContact CA-O 3.47Å; G155-D204 PolarHBondContact N-O 2.75Å; G155-D204 VanDerWaalsContact N-O 3.09Å; G155-M206 WeakPolarHBondContact O-CE 3.25Å |
| 156 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 143.9 | -175.2 | 74.9 | 179.3 | 0 | 0 | 0 | 112.3 | D104 K106 F114 N154 F165 F166 Y167 | D104-L156 HydrophobicContact CB-CD2 4.43Å; D104-L156 WeakPolarHBondContact OD2-CD2 3.35Å; K106-L156 HydrophobicContact CB-CD1 4.35Å; K106-L156 HydrophobicContact CB-CD2 3.66Å; K106-L156 HydrophobicContact CB-CG 3.86Å; K106-L156 WeakPolarHBondContact CD-O 3.47Å; K106-L156 WeakPolarHBondContact CE-O 3.28Å; K106-L156 PolarHBondContact NZ-O 2.73Å; F114-L156 HydrophobicContact CB-CD1 3.77Å; N154-L156 PolarHBondContact O-N 3.5Å; L156-F165 HydrophobicContact CB-CE2 3.81Å; L156-F165 HydrophobicContact CB-CZ 4.07Å; L156-F165 HydrophobicContact CD1-CE2 4.26Å; L156-F165 HydrophobicContact CD1-CZ 4.39Å; L156-F165 HydrophobicContact CG-CE2 4.42Å; L156-F166 VanDerWaalsContact CA-O 3.24Å; L156-F166 WeakPolarHBondContact CA-O 3.34Å; L156-Y167 HydrophobicContact CB-CD2 4.3Å |
| 157 | D | 98.9 | Very high | 98.9 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 177.2 | 173.7 | -139 | -43.7 | 0 | 0 | 0 | 111.9 | K106 F165 F166 C207 I208 | K106-D157 IonicContact NZ-OD2 3.7Å; K106-D157 PolarHBondContact NZ-OD2 3.24Å; D157-F165 WeakPolarHBondContact O-CD2 3.43Å; D157-F166 PolarHBondContact N-O 2.78Å; D157-F166 VanDerWaalsContact N-O 3.09Å; D157-F166 PolarHBondContact O-N 2.83Å; D157-C207 WeakPolarHBondContact OD2-CA 3.45Å; D157-I208 HydrophobicContact CB-CB 4.37Å; D157-I208 PolarHBondContact OD2-N 2.92Å |
| 158 | W | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.1 | 179.4 | -66.5 | -96.6 | 0 | 0 | 0 | 111.8 | K106 V107 D108 P109 F114 T164 F165 Y180 I208 | K106-W158 HydrophobicContact CB-CH2 4.44Å; K106-W158 HydrophobicContact CB-CZ3 4.08Å; K106-W158 HydrophobicContact CD-CZ3 4.11Å; K106-W158 HydrophobicContact CG-CZ3 4.02Å; V107-W158 WeakPolarHBondContact O-CZ3 3.38Å; D108-W158 HydrophobicContact CB-CD2 4.05Å; D108-W158 VanDerWaalsContact CB-CE2 3.46Å; D108-W158 HydrophobicContact CB-CE3 4.38Å; D108-W158 HydrophobicContact CB-CH2 3.71Å; D108-W158 HydrophobicContact CB-CZ2 3.3Å; D108-W158 HydrophobicContact CB-CZ3 4.22Å; P109-W158 HydrophobicContact CG-CB 3.96Å; P109-W158 HydrophobicContact CG-CG 4.1Å; F114-W158 HydrophobicContact CB-CH2 4.06Å; F114-W158 HydrophobicContact CB-CZ2 4.21Å; F114-W158 HydrophobicContact CD1-CZ2 4.15Å; F114-W158 HydrophobicContact CD2-CH2 4.04Å; F114-W158 AromaticContact CD2-CZ2 3.61Å; F114-W158 HydrophobicContact CD2-CZ2 3.61Å; F114-W158 HydrophobicContact CE1-CZ2 4.43Å; F114-W158 AromaticContact CE2-CZ2 3.95Å; F114-W158 HydrophobicContact CE2-CZ2 3.95Å; F114-W158 HydrophobicContact CG-CH2 4.07Å; F114-W158 AromaticContact CG-CZ2 3.73Å; F114-W158 HydrophobicContact CG-CZ2 3.73Å; F114-W158 HydrophobicContact CZ-CZ2 4.35Å; W158-T164 CarbonylContact C-O 3.59Å; W158-T164 WeakPolarHBondContact CA-O 3.32Å; W158-F165 HydrophobicContact CD2-CD2 4.19Å; W158-F165 AromaticContact CE2-CD2 3.55Å; W158-F165 HydrophobicContact CG-CD2 4.48Å; W158-F165 HydrophobicContact CH2-CE2 4.32Å; W158-F165 AromaticContact CZ2-CD2 3.78Å; W158-F165 HydrophobicContact CZ2-CD2 3.78Å; W158-F165 AromaticContact CZ2-CE2 3.78Å; W158-F165 HydrophobicContact CZ2-CE2 3.78Å; W158-F165 AromaticContact NE1-CD2 3.51Å; W158-Y180 AromaticContact CD1-CD1 3.72Å; W158-Y180 AromaticContact CD1-CD2 3.93Å; W158-Y180 AromaticContact CD1-CE1 3.75Å; W158-Y180 AromaticContact CD1-CE2 3.96Å; W158-Y180 AromaticContact CD1-CG 3.82Å; W158-Y180 AromaticContact CD1-CZ 3.88Å; W158-Y180 AromaticContact NE1-CD2 3.61Å; W158-Y180 AromaticContact NE1-CE2 3.42Å; W158-Y180 AromaticContact NE1-CG 3.99Å; W158-Y180 AromaticContact NE1-CZ 3.68Å; W158-I208 VanDerWaalsContact O-CD1 3.29Å; W158-I208 WeakPolarHBondContact O-CD1 3.42Å |
| 159 | S | 98.9 | Very high | 98.9 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | trans | -62.3 | 153.8 | 171.6 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | D161 H162 K163 T164 | S159-D161 WeakPolarHBondContact CB-OD1 3.4Å; S159-D161 PolarHBondContact O-N 2.97Å; S159-D161 PolarHBondContact OG-OD1 3.1Å; S159-H162 WeakPolarHBondContact O-CA 3.23Å; S159-H162 PolarHBondContact O-CD2 2.87Å; S159-H162 PolarHBondContact O-N 3.3Å; S159-K163 PolarHBondContact OG-N 3.03Å; S159-T164 PolarHBondContact N-O 2.98Å; S159-T164 WeakPolarHBondContact OG-CB 3.39Å; S159-T164 PolarHBondContact OG-N 2.92Å; S159-T164 PolarHBondContact OG-O 2.81Å | ||
| 160 | L | 98.8 | Very high | 98.9 | Very high | 74 Ų | 74 | 21 Ų | 21 | 39% | 0.387 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23 | -177.3 | -56.9 | -179.1 | 0 | 0 | 0 | 113.6 | H162 I208 T210 I292 | L160-H162 VanDerWaalsContact C-N 3.31Å; L160-I208 HydrophobicContact CD2-CD1 4.42Å; L160-I208 HydrophobicContact CD2-CG2 4.32Å; L160-I208 HydrophobicContact CG-CD1 4.37Å; L160-T210 WeakPolarHBondContact CD1-O 3.45Å; L160-I292 HydrophobicContact CD2-CD1 4.03Å; L160-I292 HydrophobicContact CD2-CG2 4.1Å |
| 161 | D | 98.8 | Very high | 98.9 | Very high | 92 Ų | 92 | 22 Ų | 22 | 49% | 0.492 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 1.9 | 174.3 | 74.2 | -19 | 0 | 0 | 0 | 113.5 | S159 K163 | S159-D161 WeakPolarHBondContact CB-OD1 3.4Å; S159-D161 PolarHBondContact O-N 2.97Å; S159-D161 PolarHBondContact OG-OD1 3.1Å; D161-K163 VanDerWaalsContact C-N 3.27Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-K163 PolarHBondContact OD1-N 2.85Å; D161-K163 WeakPolarHBondContact OD2-CD 3.12Å |
| 162 | H | 98.8 | Very high | 98.9 | Very high | 49 Ų | 49 | 24.1 Ų | 24.1 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 56.8 | 34.2 | 179 | -49.9 | 157.9 | 0 | 0 | 0 | 114 | P109 S159 L160 Y180 L182 Y295 | P109-H162 VanDerWaalsContact CG-CD2 3.49Å; P109-H162 WeakPolarHBondContact CG-CD2 3.17Å; S159-H162 WeakPolarHBondContact O-CA 3.23Å; S159-H162 PolarHBondContact O-CD2 2.87Å; S159-H162 PolarHBondContact O-N 3.3Å; L160-H162 VanDerWaalsContact C-N 3.31Å; H162-Y180 VanDerWaalsContact O-CD1 3.31Å; H162-Y180 WeakPolarHBondContact O-CD1 3.1Å; H162-L182 HydrophobicContact CB-CB 4.32Å; H162-L182 HydrophobicContact CB-CD1 4.23Å; H162-L182 HydrophobicContact CB-CD2 4.05Å; H162-L182 HydrophobicContact CB-CG 4.43Å; H162-Y295 PolarHBondContact NE2-OH 3.27Å; H162-Y295 VanDerWaalsContact NE2-OH 3.1Å |
| 163 | K | 98.9 | Very high | 98.9 | Very high | 135 Ų | 135 | 28.9 Ų | 28.9 | 59% | 0.587 | 14% | 0.144 | S | C | * | . | trans | -113.5 | -10.7 | 177.5 | -66 | -179.1 | -169.2 | 165.2 | 0 | 114.4 | S159 D161 Y180 | S159-K163 PolarHBondContact OG-N 3.03Å; D161-K163 VanDerWaalsContact C-N 3.27Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-K163 PolarHBondContact OD1-N 2.85Å; D161-K163 WeakPolarHBondContact OD2-CD 3.12Å; K163-Y180 WeakPolarHBondContact CA-O 3.35Å; K163-Y180 PolarHBondContact O-N 2.97Å | ||
| 164 | T | 98.9 | Very high | 98.9 | Very high | 24 Ų | 24 | 29.2 Ų | 29.2 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.7 | 179.7 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | W158 S159 F166 A177 F178 | W158-T164 CarbonylContact C-O 3.59Å; W158-T164 WeakPolarHBondContact CA-O 3.32Å; S159-T164 PolarHBondContact N-O 2.98Å; S159-T164 WeakPolarHBondContact OG-CB 3.39Å; S159-T164 PolarHBondContact OG-N 2.92Å; S159-T164 PolarHBondContact OG-O 2.81Å; T164-F166 HydrophobicContact CG2-CD1 4Å; T164-F166 HydrophobicContact CG2-CE1 3.51Å; T164-F166 HydrophobicContact CG2-CE2 4.19Å; T164-F166 HydrophobicContact CG2-CZ 3.62Å; T164-A177 HydrophobicContact CG2-CB 3.79Å; T164-F178 CarbonylContact C-O 3.49Å; T164-F178 VanDerWaalsContact CA-O 3.27Å; T164-F178 WeakPolarHBondContact CA-O 3.47Å; T164-F178 WeakPolarHBondContact CG2-O 3.42Å |
| 165 | F | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.2 | 167.2 | 167.7 | -117.7 | 0 | 0 | 0 | 108.7 | F114 L134 L156 D157 W158 Y167 A177 F178 Y180 I187 | F114-F165 HydrophobicContact CD1-CE2 4.39Å; F114-F165 HydrophobicContact CD1-CZ 4.27Å; L134-F165 HydrophobicContact CD2-CE1 3.63Å; L134-F165 HydrophobicContact CD2-CZ 3.83Å; L156-F165 HydrophobicContact CB-CE2 3.81Å; L156-F165 HydrophobicContact CB-CZ 4.07Å; L156-F165 HydrophobicContact CD1-CE2 4.26Å; L156-F165 HydrophobicContact CD1-CZ 4.39Å; L156-F165 HydrophobicContact CG-CE2 4.42Å; D157-F165 WeakPolarHBondContact O-CD2 3.43Å; W158-F165 HydrophobicContact CD2-CD2 4.19Å; W158-F165 AromaticContact CE2-CD2 3.55Å; W158-F165 HydrophobicContact CG-CD2 4.48Å; W158-F165 HydrophobicContact CH2-CE2 4.32Å; W158-F165 AromaticContact CZ2-CD2 3.78Å; W158-F165 HydrophobicContact CZ2-CD2 3.78Å; W158-F165 AromaticContact CZ2-CE2 3.78Å; W158-F165 HydrophobicContact CZ2-CE2 3.78Å; W158-F165 AromaticContact NE1-CD2 3.51Å; F165-Y167 HydrophobicContact CE1-CD2 4.19Å; F165-Y167 HydrophobicContact CE1-CG 4.13Å; F165-Y167 AromaticContact CZ-CD2 3.86Å; F165-Y167 HydrophobicContact CZ-CD2 3.86Å; F165-Y167 HydrophobicContact CZ-CG 4.2Å; F165-A177 CarbonylContact O-C 3.56Å; F165-A177 WeakPolarHBondContact O-CA 3.28Å; F165-F178 HydrophobicContact CB-CB 4.32Å; F165-F178 HydrophobicContact CD1-CB 4.24Å; F165-F178 AromaticContact CD1-CD2 3.79Å; F165-F178 HydrophobicContact CD1-CD2 3.79Å; F165-F178 HydrophobicContact CD1-CE2 4.42Å; F165-F178 HydrophobicContact CD1-CG 4.16Å; F165-F178 HydrophobicContact CE1-CD2 4.29Å; F165-F178 HydrophobicContact CE1-CE2 4.49Å; F165-F178 PolarHBondContact N-O 2.82Å; F165-F178 PolarHBondContact O-N 3.1Å; F165-Y180 HydrophobicContact CB-CD2 4.27Å; F165-Y180 HydrophobicContact CB-CG 4.28Å; F165-I187 HydrophobicContact CB-CG2 3.96Å; F165-I187 HydrophobicContact CD1-CD1 3.96Å; F165-I187 HydrophobicContact CD1-CG2 3.83Å; F165-I187 HydrophobicContact CE1-CD1 3.98Å; F165-I187 HydrophobicContact CG-CG2 4.14Å |
| 166 | F | 99 | Very high | 98.9 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 4% | 0.039 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.6 | 176.5 | -55.8 | -73.5 | 0 | 0 | 0 | 109.9 | L156 D157 T164 D176 A177 I193 M206 I208 L214 P229 | L156-F166 VanDerWaalsContact CA-O 3.24Å; L156-F166 WeakPolarHBondContact CA-O 3.34Å; D157-F166 PolarHBondContact N-O 2.78Å; D157-F166 VanDerWaalsContact N-O 3.09Å; D157-F166 PolarHBondContact O-N 2.83Å; T164-F166 HydrophobicContact CG2-CD1 4Å; T164-F166 HydrophobicContact CG2-CE1 3.51Å; T164-F166 HydrophobicContact CG2-CE2 4.19Å; T164-F166 HydrophobicContact CG2-CZ 3.62Å; F166-D176 CarbonylContact C-O 3.48Å; F166-D176 VanDerWaalsContact CA-O 3.29Å; F166-D176 WeakPolarHBondContact CA-O 3.18Å; F166-A177 HydrophobicContact CD1-CB 3.9Å; F166-A177 HydrophobicContact CE1-CB 4.01Å; F166-I193 HydrophobicContact CD1-CD1 3.67Å; F166-I193 HydrophobicContact CE1-CD1 3.8Å; F166-M206 HydrophobicContact CB-CE 3.59Å; F166-M206 HydrophobicContact CB-SD 4.47Å; F166-I208 HydrophobicContact CE2-CD1 4.17Å; F166-L214 HydrophobicContact CB-CD1 4.24Å; F166-L214 HydrophobicContact CB-CD2 4.37Å; F166-L214 HydrophobicContact CD1-CD1 3.75Å; F166-L214 HydrophobicContact CD2-CD1 4.25Å; F166-L214 HydrophobicContact CD2-CD2 3.65Å; F166-L214 HydrophobicContact CD2-CG 4.49Å; F166-L214 HydrophobicContact CE1-CD1 4.1Å; F166-L214 HydrophobicContact CE2-CD2 4.01Å; F166-L214 HydrophobicContact CG-CD1 3.82Å; F166-L214 HydrophobicContact CG-CD2 3.98Å; F166-L214 HydrophobicContact CZ-CD1 4.48Å; F166-P229 HydrophobicContact CE1-CB 3.65Å; F166-P229 HydrophobicContact CE1-CG 4.31Å; F166-P229 HydrophobicContact CZ-CB 3.92Å; F166-P229 HydrophobicContact CZ-CG 4.07Å |
| 167 | Y | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 144.9 | -172.8 | 179.7 | -105.7 | 0 | 0 | 0 | 112 | L134 F147 V150 S153 G155 L156 F165 D169 D176 F178 | L134-Y167 HydrophobicContact CD1-CD2 4.48Å; L134-Y167 HydrophobicContact CD1-CE2 3.93Å; L134-Y167 HydrophobicContact CD2-CD2 4.27Å; L134-Y167 HydrophobicContact CD2-CE2 4.23Å; F147-Y167 AromaticContact CE2-CE1 3.92Å; F147-Y167 HydrophobicContact CE2-CE1 3.92Å; F147-Y167 AromaticContact CZ-CD1 4Å; F147-Y167 HydrophobicContact CZ-CD1 4Å; F147-Y167 AromaticContact CZ-CE1 3.79Å; F147-Y167 HydrophobicContact CZ-CE1 3.79Å; V150-Y167 WeakPolarHBondContact CG1-OH 3.27Å; S153-Y167 VanDerWaalsContact CA-OH 3.31Å; S153-Y167 WeakPolarHBondContact CA-OH 3.5Å; S153-Y167 VanDerWaalsContact CB-OH 3.29Å; S153-Y167 WeakPolarHBondContact CB-OH 3.3Å; S153-Y167 PolarHBondContact OG-OH 3.43Å; S153-Y167 VanDerWaalsContact OG-OH 3.05Å; G155-Y167 CarbonylContact O-C 3.51Å; G155-Y167 WeakPolarHBondContact O-CA 3.44Å; L156-Y167 HydrophobicContact CB-CD2 4.3Å; F165-Y167 HydrophobicContact CE1-CD2 4.19Å; F165-Y167 HydrophobicContact CE1-CG 4.13Å; F165-Y167 AromaticContact CZ-CD2 3.86Å; F165-Y167 HydrophobicContact CZ-CD2 3.86Å; F165-Y167 HydrophobicContact CZ-CG 4.2Å; Y167-D169 HydrophobicContact CE1-CB 4.18Å; Y167-D176 PolarHBondContact N-O 2.91Å; Y167-D176 PolarHBondContact O-N 2.9Å; Y167-F178 HydrophobicContact CD1-CE2 4.4Å |
| 168 | I | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124 | 175.2 | -67 | 164.5 | 0 | 0 | 0 | 108.3 | N154 G155 V175 P203 D204 M206 V216 | N154-I168 CarbonylContact C-O 3.57Å; N154-I168 WeakPolarHBondContact CA-O 3.39Å; N154-I168 HydrophobicContact CB-CB 4.32Å; N154-I168 HydrophobicContact CB-CG2 4.02Å; N154-I168 PolarHBondContact N-O 3.33Å; G155-I168 WeakPolarHBondContact O-CB 3.36Å; G155-I168 PolarHBondContact O-N 2.91Å; I168-V175 HydrophobicContact CD1-CG2 4.12Å; I168-V175 HydrophobicContact CG1-CB 4.42Å; I168-V175 HydrophobicContact CG1-CG1 4.34Å; I168-V175 HydrophobicContact CG1-CG2 4.04Å; I168-P203 HydrophobicContact CD1-CB 4.18Å; I168-P203 HydrophobicContact CG2-CB 3.8Å; I168-P203 HydrophobicContact CG2-CG 3.83Å; I168-P203 WeakPolarHBondContact CG2-O 3.03Å; I168-D204 WeakPolarHBondContact CD1-O 3.41Å; I168-M206 HydrophobicContact CD1-CB 3.85Å; I168-M206 HydrophobicContact CD1-CE 3.99Å; I168-M206 HydrophobicContact CD1-SD 4.05Å; I168-M206 HydrophobicContact CG1-CE 4.11Å; I168-V216 HydrophobicContact CD1-CG1 3.91Å; I168-V216 HydrophobicContact CD1-CG2 4.31Å |
| 169 | D | 98.9 | Very high | 98.9 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.2 | 150.6 | 179.5 | -12.8 | 0 | 0 | 0 | 106.7 | V150 D151 I152 Y167 L171 S172 | V150-D169 WeakPolarHBondContact CA-OD2 3.36Å; V150-D169 HydrophobicContact CG1-CB 4.33Å; D151-D169 WeakPolarHBondContact CB-OD1 3.34Å; D151-D169 PolarHBondContact N-OD1 2.98Å; D151-D169 PolarHBondContact N-OD2 2.6Å; I152-D169 PolarHBondContact N-OD1 2.88Å; I152-D169 WeakPolarHBondContact O-CA 3.48Å; Y167-D169 HydrophobicContact CE1-CB 4.18Å; D169-L171 PolarHBondContact O-N 3.25Å; D169-L171 VanDerWaalsContact O-N 3.14Å; D169-L171 PolarHBondContact OD1-N 3.48Å; D169-S172 VanDerWaalsContact O-CB 3.3Å; D169-S172 WeakPolarHBondContact O-CB 3.48Å; D169-S172 PolarHBondContact O-N 2.93Å; D169-S172 PolarHBondContact O-OG 2.82Å |
| 170 | S | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -57.6 | -36.4 | -168.1 | -62.9 | 0 | 0 | 0 | 0 | 113 | I152 N154 S172 Y173 P203 | I152-S170 PolarHBondContact O-N 2.95Å; N154-S170 VanDerWaalsContact CB-OG 3.27Å; N154-S170 WeakPolarHBondContact CB-OG 3.02Å; N154-S170 PolarHBondContact ND2-OG 3.5Å; S170-S172 VanDerWaalsContact C-N 3.27Å; S170-S172 PolarHBondContact O-N 2.84Å; S170-Y173 PolarHBondContact O-N 3.03Å; S170-P203 WeakPolarHBondContact CA-O 3.19Å; S170-P203 VanDerWaalsContact CB-O 3.23Å; S170-P203 WeakPolarHBondContact CB-O 3.08Å; S170-P203 WeakPolarHBondContact O-CD 3.28Å; S170-P203 PolarHBondContact OG-O 3.27Å |
| 171 | L | 98.7 | Very high | 98.9 | Very high | 22 Ų | 22 | 32.2 Ų | 32.2 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -83.7 | -1.7 | -178.8 | -55 | -165.8 | 0 | 0 | 0 | 113.7 | A125 L127 D151 I152 D169 Y173 | A125-L171 HydrophobicContact CB-CD2 4.09Å; L127-L171 HydrophobicContact CD2-CD1 4.37Å; D151-L171 HydrophobicContact CB-CB 3.74Å; D151-L171 HydrophobicContact CB-CD1 3.8Å; D151-L171 HydrophobicContact CB-CG 3.85Å; I152-L171 HydrophobicContact CD1-CD1 4.32Å; I152-L171 HydrophobicContact CD1-CD2 3.92Å; I152-L171 HydrophobicContact CD1-CG 3.92Å; I152-L171 HydrophobicContact CG1-CD1 4.45Å; I152-L171 HydrophobicContact CG1-CG 4.1Å; D169-L171 PolarHBondContact O-N 3.25Å; D169-L171 VanDerWaalsContact O-N 3.14Å; D169-L171 PolarHBondContact OD1-N 3.48Å; L171-Y173 VanDerWaalsContact C-N 3.29Å; L171-Y173 WeakPolarHBondContact O-CD2 3.29Å |
| 172 | S | 98.6 | Very high | 98.9 | Very high | 49 Ų | 49 | 30.3 Ų | 30.3 | 34% | 0.343 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -78.4 | -15.6 | 165.7 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | D169 S170 S174 | D169-S172 VanDerWaalsContact O-CB 3.3Å; D169-S172 WeakPolarHBondContact O-CB 3.48Å; D169-S172 PolarHBondContact O-N 2.93Å; D169-S172 PolarHBondContact O-OG 2.82Å; S170-S172 VanDerWaalsContact C-N 3.27Å; S170-S172 PolarHBondContact O-N 2.84Å; S172-S174 PolarHBondContact O-N 2.87Å; S172-S174 PolarHBondContact OG-N 2.89Å |
| 173 | Y | 98.8 | Very high | 98.8 | Very high | 111 Ų | 111 | 35.9 Ų | 35.9 | 44% | 0.435 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 38 | -174.7 | -64.7 | -93.5 | 0 | 0 | 0 | 112.6 | S170 L171 M196 S201 I202 | S170-Y173 PolarHBondContact O-N 3.03Å; L171-Y173 VanDerWaalsContact C-N 3.29Å; L171-Y173 WeakPolarHBondContact O-CD2 3.29Å; Y173-M196 WeakPolarHBondContact O-CG 3.34Å; Y173-M196 PolarHBondContact O-N 3.03Å; Y173-S201 WeakPolarHBondContact CD1-O 3.39Å; Y173-I202 HydrophobicContact CE1-CG1 3.77Å |
| 174 | S | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.3 | -177.7 | -162.7 | 0 | 0 | 0 | 0 | 111.8 | S172 D176 S192 Y194 | S172-S174 PolarHBondContact O-N 2.87Å; S172-S174 PolarHBondContact OG-N 2.89Å; S174-D176 PolarHBondContact OG-OD1 2.78Å; S174-S192 PolarHBondContact OG-OG 3.3Å; S174-Y194 CarbonylContact C-O 3.47Å; S174-Y194 WeakPolarHBondContact CA-O 3.28Å; S174-Y194 WeakPolarHBondContact CB-O 3.43Å; S174-Y194 PolarHBondContact OG-O 2.99Å |
| 175 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.1 | 158.7 | -171.7 | 0 | 0 | 0 | 0 | 107.4 | I168 I193 Y194 M206 L214 V216 L227 | I168-V175 HydrophobicContact CD1-CG2 4.12Å; I168-V175 HydrophobicContact CG1-CB 4.42Å; I168-V175 HydrophobicContact CG1-CG1 4.34Å; I168-V175 HydrophobicContact CG1-CG2 4.04Å; V175-I193 HydrophobicContact CB-CD1 4.39Å; V175-I193 HydrophobicContact CB-CG1 4.1Å; V175-I193 HydrophobicContact CG1-CD1 3.86Å; V175-I193 HydrophobicContact CG1-CG1 4.01Å; V175-I193 WeakPolarHBondContact O-CG1 3.23Å; V175-I193 PolarHBondContact O-N 3.33Å; V175-Y194 PolarHBondContact N-O 3.46Å; V175-Y194 PolarHBondContact O-N 3.18Å; V175-M206 HydrophobicContact CG1-CE 3.95Å; V175-M206 HydrophobicContact CG1-SD 3.76Å; V175-L214 HydrophobicContact CG1-CD1 4.04Å; V175-V216 HydrophobicContact CG2-CG2 4.03Å; V175-L227 HydrophobicContact CG2-CD1 3.87Å |
| 176 | D | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 155.1 | 176.1 | -70.4 | -21.9 | 0 | 0 | 0 | 111 | F166 Y167 S174 F178 R190 R191 S192 | F166-D176 CarbonylContact C-O 3.48Å; F166-D176 VanDerWaalsContact CA-O 3.29Å; F166-D176 WeakPolarHBondContact CA-O 3.18Å; Y167-D176 PolarHBondContact N-O 2.91Å; Y167-D176 PolarHBondContact O-N 2.9Å; S174-D176 PolarHBondContact OG-OD1 2.78Å; D176-F178 HydrophobicContact CB-CE2 4.27Å; D176-R190 HydrophobicContact CB-CG 4.37Å; D176-R190 IonicContact OD2-CZ 3.17Å; D176-R190 IonicContact OD2-NE 2.83Å; D176-R190 PolarHBondContact OD2-NE 3.07Å; D176-R190 IonicContact OD2-NH2 3.35Å; D176-R190 PolarHBondContact OD2-NH2 3.44Å; D176-R191 CarbonylContact C-O 3.19Å; D176-R191 VanDerWaalsContact CA-O 3.31Å; D176-R191 WeakPolarHBondContact CA-O 3.36Å; D176-S192 WeakPolarHBondContact OD1-CA 3.21Å; D176-S192 WeakPolarHBondContact OD1-CB 3.45Å; D176-S192 PolarHBondContact OD1-N 2.56Å |
| 177 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T164 F165 F166 R190 R191 I193 | T164-A177 HydrophobicContact CG2-CB 3.79Å; F165-A177 CarbonylContact O-C 3.56Å; F165-A177 WeakPolarHBondContact O-CA 3.28Å; F166-A177 HydrophobicContact CD1-CB 3.9Å; F166-A177 HydrophobicContact CE1-CB 4.01Å; A177-R190 CarbonylContact O-C 3.39Å; A177-R190 WeakPolarHBondContact O-CA 3.46Å; A177-R191 HydrophobicContact CB-CG 4.2Å; A177-R191 PolarHBondContact N-O 2.85Å; A177-R191 PolarHBondContact O-N 2.83Å; A177-I193 HydrophobicContact CB-CG2 3.54Å |
| 178 | F | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.7 | 174.2 | -64.4 | -107.4 | 0 | 0 | 0 | 108.7 | F147 T164 F165 Y167 D176 Y180 I187 G188 R190 | F147-F178 HydrophobicContact CD1-CE1 4.26Å; F147-F178 HydrophobicContact CD1-CZ 4.42Å; F147-F178 AromaticContact CE1-CE1 3.72Å; F147-F178 HydrophobicContact CE1-CE1 3.72Å; F147-F178 HydrophobicContact CE1-CE2 4.44Å; F147-F178 AromaticContact CE1-CZ 3.54Å; F147-F178 HydrophobicContact CE1-CZ 3.54Å; F147-F178 HydrophobicContact CZ-CE1 4.47Å; F147-F178 AromaticContact CZ-CZ 3.85Å; F147-F178 HydrophobicContact CZ-CZ 3.85Å; T164-F178 CarbonylContact C-O 3.49Å; T164-F178 VanDerWaalsContact CA-O 3.27Å; T164-F178 WeakPolarHBondContact CA-O 3.47Å; T164-F178 WeakPolarHBondContact CG2-O 3.42Å; F165-F178 HydrophobicContact CB-CB 4.32Å; F165-F178 HydrophobicContact CD1-CB 4.24Å; F165-F178 AromaticContact CD1-CD2 3.79Å; F165-F178 HydrophobicContact CD1-CD2 3.79Å; F165-F178 HydrophobicContact CD1-CE2 4.42Å; F165-F178 HydrophobicContact CD1-CG 4.16Å; F165-F178 HydrophobicContact CE1-CD2 4.29Å; F165-F178 HydrophobicContact CE1-CE2 4.49Å; F165-F178 PolarHBondContact N-O 2.82Å; F165-F178 PolarHBondContact O-N 3.1Å; Y167-F178 HydrophobicContact CD1-CE2 4.4Å; D176-F178 HydrophobicContact CB-CE2 4.27Å; F178-Y180 PolarHBondContact O-N 2.98Å; F178-I187 HydrophobicContact CB-CB 3.94Å; F178-I187 HydrophobicContact CB-CG2 4.36Å; F178-I187 HydrophobicContact CD1-CB 4.1Å; F178-I187 HydrophobicContact CD1-CD1 4.15Å; F178-I187 HydrophobicContact CD1-CG1 4.25Å; F178-I187 HydrophobicContact CE1-CD1 4.28Å; F178-I187 HydrophobicContact CG-CB 4.24Å; F178-I187 HydrophobicContact CG-CD1 4.46Å; F178-G188 CarbonylContact C-O 3.54Å; F178-G188 VanDerWaalsContact CA-O 3.28Å; F178-G188 WeakPolarHBondContact CA-O 2.97Å; F178-G188 WeakPolarHBondContact CB-O 3.31Å; F178-R190 HydrophobicContact CD1-CB 3.86Å; F178-R190 HydrophobicContact CD1-CG 4.33Å; F178-R190 HydrophobicContact CE1-CB 3.44Å; F178-R190 VanDerWaalsContact CE1-CB 3.44Å; F178-R190 HydrophobicContact CE1-CG 3.64Å; F178-R190 HydrophobicContact CE2-CB 4.48Å; F178-R190 HydrophobicContact CE2-CG 3.91Å; F178-R190 HydrophobicContact CZ-CB 3.8Å; F178-R190 VanDerWaalsContact CZ-CD 3.43Å; F178-R190 HydrophobicContact CZ-CG 3.39Å |
| 179 | D | 98.9 | Very high | 98.7 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134 | 162.2 | -60.3 | -10.6 | 0 | 0 | 0 | 107.6 | I187 G188 N189 R191 | D179-I187 CarbonylContact O-C 3.47Å; D179-I187 WeakPolarHBondContact O-CA 3.34Å; D179-G188 PolarHBondContact N-O 2.94Å; D179-G188 PolarHBondContact O-N 2.72Å; D179-N189 WeakPolarHBondContact OD2-CB 3.37Å; D179-N189 PolarHBondContact OD2-ND2 3.14Å; D179-R191 IonicContact OD1-CZ 2.64Å; D179-R191 IonicContact OD1-NH1 2.96Å; D179-R191 PolarHBondContact OD1-NH1 2.67Å; D179-R191 IonicContact OD1-NH2 2.8Å; D179-R191 PolarHBondContact OD1-NH2 3.46Å |
| 180 | Y | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.9 | -175.8 | 169.8 | -96.8 | 0 | 0 | 0 | 110.3 | D108 R112 F114 W158 H162 K163 F165 F178 L182 K186 I187 | D108-Y180 VanDerWaalsContact CG-OH 3.24Å; D108-Y180 PolarHBondContact OD2-OH 2.77Å; R112-Y180 PolarHBondContact NH1-OH 2.88Å; R112-Y180 VanDerWaalsContact NH1-OH 3.07Å; F114-Y180 HydrophobicContact CZ-CE2 4.24Å; W158-Y180 AromaticContact CD1-CD1 3.72Å; W158-Y180 AromaticContact CD1-CD2 3.93Å; W158-Y180 AromaticContact CD1-CE1 3.75Å; W158-Y180 AromaticContact CD1-CE2 3.96Å; W158-Y180 AromaticContact CD1-CG 3.82Å; W158-Y180 AromaticContact CD1-CZ 3.88Å; W158-Y180 AromaticContact NE1-CD2 3.61Å; W158-Y180 AromaticContact NE1-CE2 3.42Å; W158-Y180 AromaticContact NE1-CG 3.99Å; W158-Y180 AromaticContact NE1-CZ 3.68Å; H162-Y180 VanDerWaalsContact O-CD1 3.31Å; H162-Y180 WeakPolarHBondContact O-CD1 3.1Å; K163-Y180 WeakPolarHBondContact CA-O 3.35Å; K163-Y180 PolarHBondContact O-N 2.97Å; F165-Y180 HydrophobicContact CB-CD2 4.27Å; F165-Y180 HydrophobicContact CB-CG 4.28Å; F178-Y180 PolarHBondContact O-N 2.98Å; Y180-L182 HydrophobicContact CE1-CB 4.05Å; Y180-L182 HydrophobicContact CE1-CD1 3.99Å; Y180-K186 WeakPolarHBondContact CA-O 3.27Å; Y180-I187 HydrophobicContact CD2-CG2 3.8Å |
| 181 | D | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -99.9 | 111.1 | 174.5 | -179.7 | -76.9 | 0 | 0 | 0 | 109.8 | H183 T184 G185 K186 | D181-H183 VanDerWaalsContact C-N 3.27Å; D181-H183 PolarHBondContact O-N 2.71Å; D181-H183 PolarHBondContact OD1-N 2.84Å; D181-T184 WeakPolarHBondContact CB-OG1 3.48Å; D181-T184 VanDerWaalsContact CG-OG1 3.28Å; D181-T184 PolarHBondContact O-N 3.28Å; D181-T184 WeakPolarHBondContact OD1-CB 3.26Å; D181-T184 WeakPolarHBondContact OD1-CG2 3.4Å; D181-T184 PolarHBondContact OD1-N 2.76Å; D181-T184 PolarHBondContact OD1-OG1 3.02Å; D181-G185 VanDerWaalsContact O-CA 3.27Å; D181-G185 WeakPolarHBondContact O-CA 3.06Å; D181-G185 PolarHBondContact O-N 2.92Å; D181-K186 PolarHBondContact N-O 3.44Å | ||
| 182 | L | 98.8 | Very high | 98.6 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -36.3 | -178.2 | -179.4 | 63.5 | 0 | 0 | 0 | 113.2 | P109 A110 R112 H162 Y180 | P109-L182 HydrophobicContact CB-CD1 3.82Å; A110-L182 HydrophobicContact CB-CD1 3.95Å; R112-L182 PolarHBondContact NH1-O 2.83Å; R112-L182 PolarHBondContact NH2-O 2.71Å; H162-L182 HydrophobicContact CB-CB 4.32Å; H162-L182 HydrophobicContact CB-CD1 4.23Å; H162-L182 HydrophobicContact CB-CD2 4.05Å; H162-L182 HydrophobicContact CB-CG 4.43Å; Y180-L182 HydrophobicContact CE1-CB 4.05Å; Y180-L182 HydrophobicContact CE1-CD1 3.99Å |
| 183 | H | 98.3 | Very high | 98.7 | Very high | 167 Ų | 167 | 57.5 Ų | 57.5 | 77% | 0.773 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -36.2 | -173.9 | -63.9 | -60.5 | 0 | 0 | 0 | 112.5 | R112 D181 | R112-H183 VanDerWaalsContact NH2-C 3.27Å; R112-H183 PolarHBondContact NH2-O 3.27Å; D181-H183 VanDerWaalsContact C-N 3.27Å; D181-H183 PolarHBondContact O-N 2.71Å; D181-H183 PolarHBondContact OD1-N 2.84Å |
| 184 | T | 98.1 | Very high | 98.7 | Very high | 77 Ų | 77 | 53 Ų | 53 | 47% | 0.472 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -19.2 | -175.7 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | D181 K186 | D181-T184 WeakPolarHBondContact CB-OG1 3.48Å; D181-T184 VanDerWaalsContact CG-OG1 3.28Å; D181-T184 PolarHBondContact O-N 3.28Å; D181-T184 WeakPolarHBondContact OD1-CB 3.26Å; D181-T184 WeakPolarHBondContact OD1-CG2 3.4Å; D181-T184 PolarHBondContact OD1-N 2.76Å; D181-T184 PolarHBondContact OD1-OG1 3.02Å; T184-K186 PolarHBondContact O-N 3.27Å; T184-K186 WeakPolarHBondContact OG1-CB 3.48Å; T184-K186 WeakPolarHBondContact OG1-CG 3.34Å; T184-K186 PolarHBondContact OG1-N 2.66Å |
| 185 | G | 98.3 | Very high | 98.7 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | trans | 72.2 | 12.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H146 D181 | H146-G185 PolarHBondContact CE1-O 3.09Å; H146-G185 VanDerWaalsContact CE1-O 3.31Å; D181-G185 VanDerWaalsContact O-CA 3.27Å; D181-G185 WeakPolarHBondContact O-CA 3.06Å; D181-G185 PolarHBondContact O-N 2.92Å | ||
| 186 | K | 98.6 | Very high | 98.6 | Very high | 146 Ų | 146 | 61.3 Ų | 61.3 | 64% | 0.635 | 30% | 0.303 | S | S | * | . | trans | -74.1 | 144.1 | 179.7 | -75.1 | -179.6 | 178.6 | -178.4 | 0 | 111 | Y180 D181 T184 | Y180-K186 WeakPolarHBondContact CA-O 3.27Å; D181-K186 PolarHBondContact N-O 3.44Å; T184-K186 PolarHBondContact O-N 3.27Å; T184-K186 WeakPolarHBondContact OG1-CB 3.48Å; T184-K186 WeakPolarHBondContact OG1-CG 3.34Å; T184-K186 PolarHBondContact OG1-N 2.66Å | ||
| 187 | I | 98.8 | Very high | 98.6 | Very high | 31 Ų | 31 | 64.5 Ų | 64.5 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 148.2 | 173.1 | 60.1 | 179.3 | 0 | 0 | 0 | 111.2 | L134 H146 F147 F165 F178 D179 Y180 | L134-I187 HydrophobicContact CD2-CD1 4Å; H146-I187 HydrophobicContact CB-CD1 3.87Å; H146-I187 HydrophobicContact CB-CG1 4.23Å; F147-I187 HydrophobicContact CD1-CD1 4.15Å; F147-I187 HydrophobicContact CE1-CD1 3.65Å; F165-I187 HydrophobicContact CB-CG2 3.96Å; F165-I187 HydrophobicContact CD1-CD1 3.96Å; F165-I187 HydrophobicContact CD1-CG2 3.83Å; F165-I187 HydrophobicContact CE1-CD1 3.98Å; F165-I187 HydrophobicContact CG-CG2 4.14Å; F178-I187 HydrophobicContact CB-CB 3.94Å; F178-I187 HydrophobicContact CB-CG2 4.36Å; F178-I187 HydrophobicContact CD1-CB 4.1Å; F178-I187 HydrophobicContact CD1-CD1 4.15Å; F178-I187 HydrophobicContact CD1-CG1 4.25Å; F178-I187 HydrophobicContact CE1-CD1 4.28Å; F178-I187 HydrophobicContact CG-CB 4.24Å; F178-I187 HydrophobicContact CG-CD1 4.46Å; D179-I187 CarbonylContact O-C 3.47Å; D179-I187 WeakPolarHBondContact O-CA 3.34Å; Y180-I187 HydrophobicContact CD2-CG2 3.8Å |
| 188 | G | 98.1 | Very high | 98.6 | Very high | 28 Ų | 28 | 73.9 Ų | 73.9 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 179.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F178 D179 R190 | F178-G188 CarbonylContact C-O 3.54Å; F178-G188 VanDerWaalsContact CA-O 3.28Å; F178-G188 WeakPolarHBondContact CA-O 2.97Å; F178-G188 WeakPolarHBondContact CB-O 3.31Å; D179-G188 PolarHBondContact N-O 2.94Å; D179-G188 PolarHBondContact O-N 2.72Å; G188-R190 PolarHBondContact O-N 3.33Å |
| 189 | N | 98.4 | Very high | 98.5 | Very high | 119 Ų | 119 | 78.1 Ų | 78.1 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 49.7 | 174.2 | -59.1 | -28.3 | 0 | 0 | 0 | 113.9 | D179 R191 | D179-N189 WeakPolarHBondContact OD2-CB 3.37Å; D179-N189 PolarHBondContact OD2-ND2 3.14Å; N189-R191 PolarHBondContact O-N 2.93Å; N189-R191 PolarHBondContact O-NH1 3.35Å |
| 190 | R | 98.7 | Very high | 98.5 | Very high | 110 Ų | 110 | 75 Ų | 75 | 42% | 0.415 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 129.3 | 176.5 | -172.9 | 175.7 | -178.1 | 170.8 | -2.4 | 110.5 | D176 A177 F178 G188 | D176-R190 HydrophobicContact CB-CG 4.37Å; D176-R190 IonicContact OD2-CZ 3.17Å; D176-R190 IonicContact OD2-NE 2.83Å; D176-R190 PolarHBondContact OD2-NE 3.07Å; D176-R190 IonicContact OD2-NH2 3.35Å; D176-R190 PolarHBondContact OD2-NH2 3.44Å; A177-R190 CarbonylContact O-C 3.39Å; A177-R190 WeakPolarHBondContact O-CA 3.46Å; F178-R190 HydrophobicContact CD1-CB 3.86Å; F178-R190 HydrophobicContact CD1-CG 4.33Å; F178-R190 HydrophobicContact CE1-CB 3.44Å; F178-R190 VanDerWaalsContact CE1-CB 3.44Å; F178-R190 HydrophobicContact CE1-CG 3.64Å; F178-R190 HydrophobicContact CE2-CB 4.48Å; F178-R190 HydrophobicContact CE2-CG 3.91Å; F178-R190 HydrophobicContact CZ-CB 3.8Å; F178-R190 VanDerWaalsContact CZ-CD 3.43Å; F178-R190 HydrophobicContact CZ-CG 3.39Å; G188-R190 PolarHBondContact O-N 3.33Å |
| 191 | R | 98.7 | Very high | 98.5 | Very high | 99 Ų | 99 | 75.8 Ų | 75.8 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 138.4 | 178.3 | 63.2 | -159.4 | 176.6 | -94.3 | 7 | 111 | D176 A177 D179 N189 I193 | D176-R191 CarbonylContact C-O 3.19Å; D176-R191 VanDerWaalsContact CA-O 3.31Å; D176-R191 WeakPolarHBondContact CA-O 3.36Å; A177-R191 HydrophobicContact CB-CG 4.2Å; A177-R191 PolarHBondContact N-O 2.85Å; A177-R191 PolarHBondContact O-N 2.83Å; D179-R191 IonicContact OD1-CZ 2.64Å; D179-R191 IonicContact OD1-NH1 2.96Å; D179-R191 PolarHBondContact OD1-NH1 2.67Å; D179-R191 IonicContact OD1-NH2 2.8Å; D179-R191 PolarHBondContact OD1-NH2 3.46Å; N189-R191 PolarHBondContact O-N 2.93Å; N189-R191 PolarHBondContact O-NH1 3.35Å; R191-I193 HydrophobicContact CG-CG2 4.47Å; R191-I193 PolarHBondContact O-N 3.14Å |
| 192 | S | 98.5 | Very high | 98.5 | Very high | 59 Ų | 59 | 73.3 Ų | 73.3 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.3 | 172.2 | 175.9 | 0 | 0 | 0 | 0 | 110 | S174 D176 | S174-S192 PolarHBondContact OG-OG 3.3Å; D176-S192 WeakPolarHBondContact OD1-CA 3.21Å; D176-S192 WeakPolarHBondContact OD1-CB 3.45Å; D176-S192 PolarHBondContact OD1-N 2.56Å |
| 193 | I | 98.7 | Very high | 98.5 | Very high | 29 Ų | 29 | 70.9 Ų | 70.9 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -23.5 | 176.4 | 57.7 | 155.8 | 0 | 0 | 0 | 112.3 | F166 V175 A177 R191 L214 P229 G232 | F166-I193 HydrophobicContact CD1-CD1 3.67Å; F166-I193 HydrophobicContact CE1-CD1 3.8Å; V175-I193 HydrophobicContact CB-CD1 4.39Å; V175-I193 HydrophobicContact CB-CG1 4.1Å; V175-I193 HydrophobicContact CG1-CD1 3.86Å; V175-I193 HydrophobicContact CG1-CG1 4.01Å; V175-I193 WeakPolarHBondContact O-CG1 3.23Å; V175-I193 PolarHBondContact O-N 3.33Å; A177-I193 HydrophobicContact CB-CG2 3.54Å; R191-I193 HydrophobicContact CG-CG2 4.47Å; R191-I193 PolarHBondContact O-N 3.14Å; I193-L214 HydrophobicContact CD1-CD1 3.7Å; I193-P229 HydrophobicContact CD1-CB 3.5Å; I193-G232 WeakPolarHBondContact O-CA 3.29Å |
| 194 | Y | 98.9 | Very high | 98.5 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 136.5 | 176.5 | -174.5 | -101.6 | 0 | 0 | 0 | 110.3 | S174 V175 M196 E200 I225 L227 R234 | S174-Y194 CarbonylContact C-O 3.47Å; S174-Y194 WeakPolarHBondContact CA-O 3.28Å; S174-Y194 WeakPolarHBondContact CB-O 3.43Å; S174-Y194 PolarHBondContact OG-O 2.99Å; V175-Y194 PolarHBondContact N-O 3.46Å; V175-Y194 PolarHBondContact O-N 3.18Å; Y194-M196 HydrophobicContact CD1-SD 3.7Å; Y194-M196 HydrophobicContact CE1-CE 4.46Å; Y194-M196 HydrophobicContact CE1-SD 3.58Å; Y194-M196 VanDerWaalsContact CE1-SD 3.58Å; Y194-E200 WeakPolarHBondContact CE1-OE2 3.47Å; Y194-E200 PolarHBondContact OH-OE1 2.66Å; Y194-E200 PolarHBondContact OH-OE2 3.42Å; Y194-I225 HydrophobicContact CE1-CD1 3.89Å; Y194-L227 HydrophobicContact CD1-CD1 3.53Å; Y194-L227 HydrophobicContact CD1-CD2 3.98Å; Y194-L227 HydrophobicContact CD1-CG 4.4Å; Y194-L227 HydrophobicContact CD2-CD1 4.34Å; Y194-L227 HydrophobicContact CD2-CD2 3.85Å; Y194-L227 HydrophobicContact CE1-CD1 4.07Å; Y194-L227 HydrophobicContact CE1-CD2 3.78Å; Y194-L227 HydrophobicContact CE2-CD2 3.66Å; Y194-L227 HydrophobicContact CG-CD1 3.69Å; Y194-L227 HydrophobicContact CG-CD2 4.01Å; Y194-L227 HydrophobicContact CG-CG 4.41Å; Y194-R234 HydrophobicContact CE2-CB 4.22Å |
| 195 | K | 98.7 | Very high | 98.5 | Very high | 157 Ų | 157 | 59.9 Ų | 59.9 | 68% | 0.683 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.8 | 172 | -68.6 | -174 | 177.4 | -176.4 | 0 | 108.5 | ||
| 196 | M | 98.7 | Very high | 98.6 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | trans | -65.9 | 137.9 | -177.1 | -55 | -58.2 | -68.8 | 0 | 0 | 111 | Y173 Y194 E200 P203 I225 | Y173-M196 WeakPolarHBondContact O-CG 3.34Å; Y173-M196 PolarHBondContact O-N 3.03Å; Y194-M196 HydrophobicContact CD1-SD 3.7Å; Y194-M196 HydrophobicContact CE1-CE 4.46Å; Y194-M196 HydrophobicContact CE1-SD 3.58Å; Y194-M196 VanDerWaalsContact CE1-SD 3.58Å; M196-E200 WeakPolarHBondContact CA-OE2 3.33Å; M196-E200 HydrophobicContact CE-CB 3.63Å; M196-P203 HydrophobicContact CE-CB 3.98Å; M196-P203 HydrophobicContact CG-CB 3.96Å; M196-P203 HydrophobicContact CG-CG 3.68Å; M196-P203 HydrophobicContact SD-CB 3.77Å; M196-P203 HydrophobicContact SD-CG 4.16Å; M196-I225 HydrophobicContact CE-CD1 3.65Å; M196-I225 HydrophobicContact SD-CD1 4.29Å | ||
| 197 | E | 98.4 | Very high | 98.6 | Very high | 79 Ų | 79 | 53 Ų | 53 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | trans | -76.6 | 155.8 | 167.8 | -62.5 | 178 | 172.9 | 0 | 0 | 109.9 | E199 E200 R234 | E197-E199 VanDerWaalsContact C-N 3.26Å; E197-E199 WeakPolarHBondContact CB-OE2 3.34Å; E197-E199 PolarHBondContact O-N 3.45Å; E197-E200 HydrophobicContact CB-CG 4.06Å; E197-E200 PolarHBondContact N-OE2 3.23Å; E197-E200 WeakPolarHBondContact O-CB 3.46Å; E197-E200 PolarHBondContact O-N 3.5Å; E197-R234 IonicContact OE1-NH2 3.27Å; E197-R234 IonicContact OE2-CZ 3.97Å; E197-R234 IonicContact OE2-NH1 2.8Å; E197-R234 PolarHBondContact OE2-NH1 2.97Å; E197-R234 IonicContact OE2-NH2 3.43Å; E197-R234 PolarHBondContact OE2-NH2 3.46Å | ||
| 198 | K | 97.8 | Very high | 98.6 | Very high | 199 Ų | 199 | 51.7 Ų | 51.7 | 87% | 0.865 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -57.8 | -38.7 | -172.6 | -177.9 | 177.6 | 178 | -180 | 0 | 112.7 | E200 S201 | K198-E200 PolarHBondContact O-N 2.66Å; K198-S201 PolarHBondContact O-N 2.61Å |
| 199 | E | 97.7 | Very high | 98.6 | Very high | 97 Ų | 97 | 50.4 Ų | 50.4 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -74.6 | -10.5 | 179.3 | 68.6 | -91.6 | -141.5 | 0 | 0 | 114.3 | E197 S201 R223 | E197-E199 VanDerWaalsContact C-N 3.26Å; E197-E199 WeakPolarHBondContact CB-OE2 3.34Å; E197-E199 PolarHBondContact O-N 3.45Å; E199-S201 VanDerWaalsContact C-N 3.35Å; E199-R223 PolarHBondContact O-NH1 2.88Å; E199-R223 PolarHBondContact O-NH2 3.19Å |
| 200 | E | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -88.1 | -12.9 | 174.6 | -54.5 | 179.9 | 140.5 | 0 | 0 | 111.3 | Y194 M196 E197 K198 I202 C218 I225 R234 | Y194-E200 WeakPolarHBondContact CE1-OE2 3.47Å; Y194-E200 PolarHBondContact OH-OE1 2.66Å; Y194-E200 PolarHBondContact OH-OE2 3.42Å; M196-E200 WeakPolarHBondContact CA-OE2 3.33Å; M196-E200 HydrophobicContact CE-CB 3.63Å; E197-E200 HydrophobicContact CB-CG 4.06Å; E197-E200 PolarHBondContact N-OE2 3.23Å; E197-E200 WeakPolarHBondContact O-CB 3.46Å; E197-E200 PolarHBondContact O-N 3.5Å; K198-E200 PolarHBondContact O-N 2.66Å; E200-I202 PolarHBondContact O-N 3.48Å; E200-C218 WeakPolarHBondContact O-CB 3.49Å; E200-I225 WeakPolarHBondContact OE1-CD1 3.34Å; E200-R234 WeakPolarHBondContact OE1-CD 3.31Å; E200-R234 IonicContact OE1-CZ 2.8Å; E200-R234 IonicContact OE1-NE 3.6Å; E200-R234 IonicContact OE1-NH1 2.79Å; E200-R234 PolarHBondContact OE1-NH1 3.15Å |
| 201 | S | 98.4 | Very high | 98.7 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | trans | 58.1 | -129.2 | 176 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | Y173 K198 E199 Y219 | Y173-S201 WeakPolarHBondContact CD1-O 3.39Å; K198-S201 PolarHBondContact O-N 2.61Å; E199-S201 VanDerWaalsContact C-N 3.35Å; S201-Y219 WeakPolarHBondContact CB-O 3.08Å; S201-Y219 PolarHBondContact OG-O 3.41Å | ||
| 202 | I | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.4 | -168.7 | -61.2 | 171 | 0 | 0 | 0 | 109.1 | A125 Y173 E200 D204 C218 Y219 | A125-I202 HydrophobicContact CB-CD1 3.84Å; Y173-I202 HydrophobicContact CE1-CG1 3.77Å; E200-I202 PolarHBondContact O-N 3.48Å; I202-D204 PolarHBondContact O-N 2.9Å; I202-C218 CarbonylContact O-C 3.52Å; I202-C218 WeakPolarHBondContact O-CA 3.24Å; I202-Y219 HydrophobicContact CD1-CD1 4.32Å; I202-Y219 PolarHBondContact N-O 2.74Å; I202-Y219 PolarHBondContact O-N 2.97Å |
| 203 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.6 | 172.3 | 29.4 | -27.6 | 0 | 0 | 0 | 109.4 | I168 S170 M196 V216 | I168-P203 HydrophobicContact CD1-CB 4.18Å; I168-P203 HydrophobicContact CG2-CB 3.8Å; I168-P203 HydrophobicContact CG2-CG 3.83Å; I168-P203 WeakPolarHBondContact CG2-O 3.03Å; S170-P203 WeakPolarHBondContact CA-O 3.19Å; S170-P203 VanDerWaalsContact CB-O 3.23Å; S170-P203 WeakPolarHBondContact CB-O 3.08Å; S170-P203 WeakPolarHBondContact O-CD 3.28Å; S170-P203 PolarHBondContact OG-O 3.27Å; M196-P203 HydrophobicContact CE-CB 3.98Å; M196-P203 HydrophobicContact CG-CB 3.96Å; M196-P203 HydrophobicContact CG-CG 3.68Å; M196-P203 HydrophobicContact SD-CB 3.77Å; M196-P203 HydrophobicContact SD-CG 4.16Å; P203-V216 HydrophobicContact CB-CG1 4.03Å |
| 204 | D | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | -126.6 | -174 | -156.3 | -11.7 | 0 | 0 | 0 | 108.6 | N154 G155 I168 I202 A217 Y219 T246 | N154-D204 PolarHBondContact ND2-OD1 2.92Å; N154-D204 PolarHBondContact OD1-O 3.24Å; N154-D204 PolarHBondContact OD1-OD1 3.06Å; G155-D204 WeakPolarHBondContact CA-O 3.47Å; G155-D204 PolarHBondContact N-O 2.75Å; G155-D204 VanDerWaalsContact N-O 3.09Å; I168-D204 WeakPolarHBondContact CD1-O 3.41Å; I202-D204 PolarHBondContact O-N 2.9Å; D204-A217 PolarHBondContact N-O 3.31Å; D204-Y219 WeakPolarHBondContact OD2-CB 3.41Å; D204-Y219 WeakPolarHBondContact OD2-CD2 3.49Å; D204-T246 WeakPolarHBondContact CB-O 3.42Å; D204-T246 WeakPolarHBondContact OD2-CA 3.43Å |
| 205 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 153.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N154 A217 T246 | N154-G205 PolarHBondContact OD1-N 3.12Å; G205-A217 PolarHBondContact O-N 2.82Å; G205-T246 WeakPolarHBondContact CA-O 3.38Å; G205-T246 PolarHBondContact N-O 3.33Å |
| 206 | M | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.6 | -174.8 | 175.2 | 170.2 | 58.8 | 0 | 0 | 112.9 | K106 G155 F166 I168 V175 L214 W215 V216 | K106-M206 PolarHBondContact NZ-O 2.79Å; G155-M206 WeakPolarHBondContact O-CE 3.25Å; F166-M206 HydrophobicContact CB-CE 3.59Å; F166-M206 HydrophobicContact CB-SD 4.47Å; I168-M206 HydrophobicContact CD1-CB 3.85Å; I168-M206 HydrophobicContact CD1-CE 3.99Å; I168-M206 HydrophobicContact CD1-SD 4.05Å; I168-M206 HydrophobicContact CG1-CE 4.11Å; V175-M206 HydrophobicContact CG1-CE 3.95Å; V175-M206 HydrophobicContact CG1-SD 3.76Å; M206-L214 HydrophobicContact CG-CB 4.39Å; M206-L214 HydrophobicContact CG-CD2 4.4Å; M206-L214 HydrophobicContact SD-CB 3.95Å; M206-L214 HydrophobicContact SD-CD1 3.82Å; M206-L214 HydrophobicContact SD-CD2 3.97Å; M206-L214 HydrophobicContact SD-CG 4.12Å; M206-W215 CarbonylContact C-O 3.49Å; M206-W215 WeakPolarHBondContact CA-O 3.49Å; M206-W215 WeakPolarHBondContact CG-O 3.36Å; M206-V216 HydrophobicContact CB-CG2 4.26Å; M206-V216 HydrophobicContact CG-CG2 3.92Å; M206-V216 HydrophobicContact SD-CG2 3.75Å |
| 207 | C | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.034 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.7 | 166.6 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | D157 L214 W215 C248 | D157-C207 WeakPolarHBondContact OD2-CA 3.45Å; C207-L214 CarbonylContact O-C 3.52Å; C207-W215 PolarHBondContact N-O 3.4Å; C207-W215 PolarHBondContact O-N 3.21Å; C207-C248 WeakPolarHBondContact CB-O 3.09Å; C207-C248 PolarHBondContact SG-O 2.9Å |
| 208 | I | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 149.1 | 174 | -157.8 | 169 | 0 | 0 | 0 | 112.2 | D157 W158 L160 F166 K213 L214 I292 | D157-I208 HydrophobicContact CB-CB 4.37Å; D157-I208 PolarHBondContact OD2-N 2.92Å; W158-I208 VanDerWaalsContact O-CD1 3.29Å; W158-I208 WeakPolarHBondContact O-CD1 3.42Å; L160-I208 HydrophobicContact CD2-CD1 4.42Å; L160-I208 HydrophobicContact CD2-CG2 4.32Å; L160-I208 HydrophobicContact CG-CD1 4.37Å; F166-I208 HydrophobicContact CE2-CD1 4.17Å; I208-K213 WeakPolarHBondContact CA-O 3.38Å; I208-L214 HydrophobicContact CB-CD2 4.15Å; I208-L214 HydrophobicContact CD1-CD2 4.34Å; I208-L214 HydrophobicContact CG1-CD2 4.06Å; I208-I292 HydrophobicContact CG2-CD1 3.8Å; I208-I292 HydrophobicContact CG2-CG1 4.23Å |
| 209 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -102.7 | 172.4 | 170.3 | 71.7 | 34.4 | 0 | 0 | 0 | 113.7 | E211 G212 K213 W215 R226 F250 V289 K290 | D209-E211 PolarHBondContact O-N 3.03Å; D209-E211 VanDerWaalsContact O-N 3.13Å; D209-E211 WeakPolarHBondContact OD1-CA 3.13Å; D209-E211 WeakPolarHBondContact OD1-CB 3.39Å; D209-E211 PolarHBondContact OD1-N 3.39Å; D209-G212 PolarHBondContact O-N 3.44Å; D209-G212 PolarHBondContact OD1-N 2.8Å; D209-K213 PolarHBondContact N-O 2.94Å; D209-K213 PolarHBondContact OD1-N 3.29Å; D209-K213 WeakPolarHBondContact OD2-CB 3.43Å; D209-W215 PolarHBondContact OD2-NE1 2.95Å; D209-R226 IonicContact OD1-NH2 3.89Å; D209-R226 PolarHBondContact OD1-NH2 3.05Å; D209-R226 IonicContact OD2-CZ 3.52Å; D209-R226 IonicContact OD2-NE 3.1Å; D209-R226 PolarHBondContact OD2-NE 2.9Å; D209-R226 IonicContact OD2-NH2 2.7Å; D209-R226 PolarHBondContact OD2-NH2 3.42Å; D209-F250 HydrophobicContact CB-CE2 3.94Å; D209-F250 HydrophobicContact CB-CZ 4.11Å; D209-V289 HydrophobicContact CB-CG1 4.27Å; D209-V289 HydrophobicContact CB-CG2 3.92Å; D209-K290 WeakPolarHBondContact CB-O 3.49Å |
| 210 | T | 98.8 | Very high | 98.8 | Very high | 66 Ų | 66 | 17.9 Ų | 17.9 | 41% | 0.405 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.9 | -178.7 | 45.9 | 0 | 0 | 0 | 0 | 114.7 | L160 K290 G291 I292 | L160-T210 WeakPolarHBondContact CD1-O 3.45Å; T210-K290 WeakPolarHBondContact CB-O 3.44Å; T210-K290 HydrophobicContact CG2-CB 4.1Å; T210-K290 WeakPolarHBondContact CG2-O 3.4Å; T210-K290 PolarHBondContact N-O 3.08Å; T210-K290 PolarHBondContact OG1-O 2.79Å; T210-G291 VanDerWaalsContact CG2-O 3.24Å; T210-G291 WeakPolarHBondContact CG2-O 3.3Å; T210-I292 HydrophobicContact CG2-CG2 3.86Å |
| 211 | E | 98.8 | Very high | 98.8 | Very high | 104 Ų | 104 | 18.3 Ų | 18.3 | 49% | 0.486 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 8.1 | 173.6 | -63.1 | 176 | -176.9 | 0 | 0 | 111.8 | D209 K213 R226 V289 | D209-E211 PolarHBondContact O-N 3.03Å; D209-E211 VanDerWaalsContact O-N 3.13Å; D209-E211 WeakPolarHBondContact OD1-CA 3.13Å; D209-E211 WeakPolarHBondContact OD1-CB 3.39Å; D209-E211 PolarHBondContact OD1-N 3.39Å; E211-K213 VanDerWaalsContact C-N 3.29Å; E211-K213 HydrophobicContact CB-CG 4.24Å; E211-K213 PolarHBondContact O-N 3.19Å; E211-K213 PolarHBondContact O-NZ 2.89Å; E211-R226 IonicContact OE2-CZ 3.41Å; E211-R226 IonicContact OE2-NH1 2.75Å; E211-R226 PolarHBondContact OE2-NH1 3.01Å; E211-R226 IonicContact OE2-NH2 3.16Å; E211-R226 PolarHBondContact OE2-NH2 2.86Å; E211-V289 HydrophobicContact CB-CG2 4.48Å; E211-V289 HydrophobicContact CG-CG2 3.9Å |
| 212 | G | 98.8 | Very high | 98.8 | Very high | 17 Ų | 17 | 17.2 Ų | 17.2 | 18% | 0.175 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 72.5 | 20.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D209 P229 | D209-G212 PolarHBondContact O-N 3.44Å; D209-G212 PolarHBondContact OD1-N 2.8Å; G212-P229 WeakPolarHBondContact O-CG 3.32Å |
| 213 | K | 98.9 | Very high | 98.8 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 14% | 0.143 | 10% | 0.098 | C | C | . | . | trans | -97.9 | 147.3 | 177.9 | -50.3 | -60.3 | 174.7 | -90.1 | 0 | 109.9 | I208 D209 E211 R226 L227 D228 I235 | I208-K213 WeakPolarHBondContact CA-O 3.38Å; D209-K213 PolarHBondContact N-O 2.94Å; D209-K213 PolarHBondContact OD1-N 3.29Å; D209-K213 WeakPolarHBondContact OD2-CB 3.43Å; E211-K213 VanDerWaalsContact C-N 3.29Å; E211-K213 HydrophobicContact CB-CG 4.24Å; E211-K213 PolarHBondContact O-N 3.19Å; E211-K213 PolarHBondContact O-NZ 2.89Å; K213-R226 HydrophobicContact CB-CG 4.09Å; K213-L227 WeakPolarHBondContact CA-O 3.43Å; K213-L227 WeakPolarHBondContact CB-O 3.34Å; K213-D228 HydrophobicContact CD-CB 4.16Å; K213-I235 HydrophobicContact CB-CD1 4.23Å; K213-I235 HydrophobicContact CD-CD1 3.64Å; K213-I235 HydrophobicContact CG-CD1 3.82Å | ||
| 214 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 137 | -175.6 | -60.2 | 170.9 | 0 | 0 | 0 | 110 | F166 V175 I193 M206 C207 I208 R226 L227 P229 | F166-L214 HydrophobicContact CB-CD1 4.24Å; F166-L214 HydrophobicContact CB-CD2 4.37Å; F166-L214 HydrophobicContact CD1-CD1 3.75Å; F166-L214 HydrophobicContact CD2-CD1 4.25Å; F166-L214 HydrophobicContact CD2-CD2 3.65Å; F166-L214 HydrophobicContact CD2-CG 4.49Å; F166-L214 HydrophobicContact CE1-CD1 4.1Å; F166-L214 HydrophobicContact CE2-CD2 4.01Å; F166-L214 HydrophobicContact CG-CD1 3.82Å; F166-L214 HydrophobicContact CG-CD2 3.98Å; F166-L214 HydrophobicContact CZ-CD1 4.48Å; V175-L214 HydrophobicContact CG1-CD1 4.04Å; I193-L214 HydrophobicContact CD1-CD1 3.7Å; M206-L214 HydrophobicContact CG-CB 4.39Å; M206-L214 HydrophobicContact CG-CD2 4.4Å; M206-L214 HydrophobicContact SD-CB 3.95Å; M206-L214 HydrophobicContact SD-CD1 3.82Å; M206-L214 HydrophobicContact SD-CD2 3.97Å; M206-L214 HydrophobicContact SD-CG 4.12Å; C207-L214 CarbonylContact O-C 3.52Å; I208-L214 HydrophobicContact CB-CD2 4.15Å; I208-L214 HydrophobicContact CD1-CD2 4.34Å; I208-L214 HydrophobicContact CG1-CD2 4.06Å; L214-R226 CarbonylContact O-C 3.59Å; L214-R226 VanDerWaalsContact O-CA 3.25Å; L214-R226 WeakPolarHBondContact O-CA 3.24Å; L214-L227 HydrophobicContact CB-CB 4.33Å; L214-L227 PolarHBondContact N-O 3.42Å; L214-L227 PolarHBondContact O-N 2.94Å; L214-P229 HydrophobicContact CD1-CB 4.06Å; L214-P229 HydrophobicContact CD1-CG 4.48Å; L214-P229 HydrophobicContact CG-CG 4.49Å |
| 215 | W | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.1 | 169.8 | -70.3 | 85.4 | 0 | 0 | 0 | 108.7 | M206 C207 D209 V224 I225 R226 V238 C248 F250 M258 L287 V289 | M206-W215 CarbonylContact C-O 3.49Å; M206-W215 WeakPolarHBondContact CA-O 3.49Å; M206-W215 WeakPolarHBondContact CG-O 3.36Å; C207-W215 PolarHBondContact N-O 3.4Å; C207-W215 PolarHBondContact O-N 3.21Å; D209-W215 PolarHBondContact OD2-NE1 2.95Å; W215-V224 HydrophobicContact CE3-CB 4.36Å; W215-V224 HydrophobicContact CE3-CG2 4.01Å; W215-V224 HydrophobicContact CZ3-CG2 4.11Å; W215-I225 CarbonylContact C-O 3.52Å; W215-I225 VanDerWaalsContact CA-O 3.29Å; W215-I225 WeakPolarHBondContact CA-O 3.45Å; W215-R226 HydrophobicContact CD2-CB 3.95Å; W215-R226 HydrophobicContact CD2-CG 3.99Å; W215-R226 HydrophobicContact CE3-CB 3.96Å; W215-R226 HydrophobicContact CE3-CG 4.49Å; W215-R226 HydrophobicContact CG-CG 4.48Å; W215-R226 HydrophobicContact CH2-CB 3.9Å; W215-R226 HydrophobicContact CH2-CG 4.25Å; W215-R226 HydrophobicContact CZ2-CB 3.9Å; W215-R226 HydrophobicContact CZ2-CG 3.72Å; W215-R226 HydrophobicContact CZ3-CB 3.93Å; W215-V238 HydrophobicContact CH2-CG2 4.49Å; W215-V238 HydrophobicContact CZ3-CG2 4.14Å; W215-C248 PolarHBondContact O-SG 2.9Å; W215-F250 AromaticContact CD1-CE2 3.72Å; W215-F250 AromaticContact CD1-CZ 3.98Å; W215-F250 HydrophobicContact CG-CE2 4.33Å; W215-F250 AromaticContact NE1-CE2 3.95Å; W215-F250 AromaticContact NE1-CZ 3.72Å; W215-M258 HydrophobicContact CB-CE 3.73Å; W215-M258 HydrophobicContact CD2-CE 3.44Å; W215-M258 VanDerWaalsContact CD2-CE 3.44Å; W215-M258 HydrophobicContact CE3-CE 3.72Å; W215-M258 HydrophobicContact CE3-SD 4.23Å; W215-M258 HydrophobicContact CG-CE 3.46Å; W215-M258 VanDerWaalsContact CG-CE 3.46Å; W215-M258 HydrophobicContact CZ3-CE 4.47Å; W215-L287 HydrophobicContact CH2-CD1 4.07Å; W215-L287 HydrophobicContact CH2-CD2 3.78Å; W215-L287 HydrophobicContact CH2-CG 4.38Å; W215-L287 HydrophobicContact CZ2-CD1 4.14Å; W215-L287 HydrophobicContact CZ2-CD2 4.48Å; W215-L287 HydrophobicContact CZ3-CD2 4.31Å; W215-V289 HydrophobicContact CZ2-CG1 4.06Å |
| 216 | V | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.1 | -175.9 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | I168 V175 P203 M206 V224 I225 L227 | I168-V216 HydrophobicContact CD1-CG1 3.91Å; I168-V216 HydrophobicContact CD1-CG2 4.31Å; V175-V216 HydrophobicContact CG2-CG2 4.03Å; P203-V216 HydrophobicContact CB-CG1 4.03Å; M206-V216 HydrophobicContact CB-CG2 4.26Å; M206-V216 HydrophobicContact CG-CG2 3.92Å; M206-V216 HydrophobicContact SD-CG2 3.75Å; V216-V224 CarbonylContact O-C 3.43Å; V216-V224 VanDerWaalsContact O-CA 3.26Å; V216-V224 WeakPolarHBondContact O-CA 3.41Å; V216-I225 HydrophobicContact CB-CG1 3.96Å; V216-I225 PolarHBondContact N-O 3.06Å; V216-I225 PolarHBondContact O-N 3.19Å; V216-L227 HydrophobicContact CG2-CD1 3.74Å; V216-L227 HydrophobicContact CG2-CG 4.47Å |
| 217 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 139.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D204 G205 V224 T246 | D204-A217 PolarHBondContact N-O 3.31Å; G205-A217 PolarHBondContact O-N 2.82Å; A217-V224 HydrophobicContact CB-CG1 4.38Å; A217-T246 WeakPolarHBondContact CB-O 3.29Å |
| 218 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 94.7 | -173.6 | -70.9 | 0 | 0 | 0 | 0 | 109.9 | E200 I202 D220 G221 G222 R223 T245 | E200-C218 WeakPolarHBondContact O-CB 3.49Å; I202-C218 CarbonylContact O-C 3.52Å; I202-C218 WeakPolarHBondContact O-CA 3.24Å; C218-D220 PolarHBondContact O-N 2.7Å; C218-G221 WeakPolarHBondContact O-CA 3.45Å; C218-G221 PolarHBondContact O-N 2.99Å; C218-G222 PolarHBondContact O-N 2.85Å; C218-R223 HydrophobicContact CB-CG 3.53Å; C218-R223 WeakPolarHBondContact CB-O 3.43Å; C218-R223 PolarHBondContact N-O 2.86Å; C218-T245 CarbonylContact C-O 3.49Å; C218-T245 PolarHBondContact O-OG1 3.03Å |
| 219 | Y | 98.7 | Very high | 98.7 | Very high | 24 Ų | 24 | 20.2 Ų | 20.2 | 9% | 0.094 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 130.8 | 179.7 | -175 | -82.6 | 0 | 0 | 0 | 111.2 | P124 S201 I202 D204 G221 K244 T245 T246 A263 | P124-Y219 HydrophobicContact CB-CE1 4.3Å; P124-Y219 WeakPolarHBondContact CB-OH 3.33Å; S201-Y219 WeakPolarHBondContact CB-O 3.08Å; S201-Y219 PolarHBondContact OG-O 3.41Å; I202-Y219 HydrophobicContact CD1-CD1 4.32Å; I202-Y219 PolarHBondContact N-O 2.74Å; I202-Y219 PolarHBondContact O-N 2.97Å; D204-Y219 WeakPolarHBondContact OD2-CB 3.41Å; D204-Y219 WeakPolarHBondContact OD2-CD2 3.49Å; Y219-G221 PolarHBondContact O-N 3.37Å; Y219-K244 HydrophobicContact CD2-CB 4.27Å; Y219-K244 HydrophobicContact CE1-CG 4.32Å; Y219-K244 HydrophobicContact CE2-CB 3.93Å; Y219-K244 HydrophobicContact CE2-CD 4.13Å; Y219-K244 HydrophobicContact CE2-CG 4.01Å; Y219-K244 WeakPolarHBondContact OH-CD 3.46Å; Y219-K244 WeakPolarHBondContact OH-CE 3.47Å; Y219-K244 PolarHBondContact OH-NZ 3.31Å; Y219-T245 WeakPolarHBondContact CA-O 3.44Å; Y219-T245 PolarHBondContact N-O 3.48Å; Y219-T246 HydrophobicContact CD2-CG2 4.06Å; Y219-T246 HydrophobicContact CE2-CG2 4.31Å; Y219-A263 HydrophobicContact CE2-CB 4.35Å |
| 220 | D | 97.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 28.1 Ų | 28.1 | 33% | 0.332 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 3 | -167.5 | -68.3 | -30.9 | 0 | 0 | 0 | 114.9 | C218 D243 K244 | C218-D220 PolarHBondContact O-N 2.7Å; D220-D243 CarbonylContact C-O 3.59Å; D220-D243 VanDerWaalsContact CA-O 3.25Å; D220-D243 WeakPolarHBondContact CA-O 3.35Å; D220-D243 PolarHBondContact N-O 3.26Å; D220-K244 VanDerWaalsContact OD1-CG 3.25Å; D220-K244 WeakPolarHBondContact OD1-CG 3.31Å; D220-K244 IonicContact OD1-NZ 2.69Å; D220-K244 PolarHBondContact OD1-NZ 3.39Å; D220-K244 IonicContact OD2-NZ 3.6Å |
| 221 | G | 98 | Very high | 98.6 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -13.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | C218 Y219 R223 D243 | C218-G221 WeakPolarHBondContact O-CA 3.45Å; C218-G221 PolarHBondContact O-N 2.99Å; Y219-G221 PolarHBondContact O-N 3.37Å; G221-R223 PolarHBondContact O-N 3.37Å; G221-R223 PolarHBondContact O-NE 2.91Å; G221-R223 PolarHBondContact O-NH2 2.89Å; G221-D243 PolarHBondContact N-O 3.33Å |
| 222 | G | 98.5 | Very high | 98.5 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C218 K239 L240 V242 D243 | C218-G222 PolarHBondContact O-N 2.85Å; G222-K239 WeakPolarHBondContact O-CA 3.01Å; G222-L240 PolarHBondContact O-N 2.86Å; G222-V242 WeakPolarHBondContact CA-O 3.46Å; G222-D243 WeakPolarHBondContact CA-O 3.32Å; G222-D243 PolarHBondContact N-O 3.06Å |
| 223 | R | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 162.3 | -173 | 67 | -170 | 68.8 | 173 | 11.2 | 112.5 | E199 C218 G221 I225 T237 V238 T245 | E199-R223 PolarHBondContact O-NH1 2.88Å; E199-R223 PolarHBondContact O-NH2 3.19Å; C218-R223 HydrophobicContact CB-CG 3.53Å; C218-R223 WeakPolarHBondContact CB-O 3.43Å; C218-R223 PolarHBondContact N-O 2.86Å; G221-R223 PolarHBondContact O-N 3.37Å; G221-R223 PolarHBondContact O-NE 2.91Å; G221-R223 PolarHBondContact O-NH2 2.89Å; R223-I225 HydrophobicContact CG-CG2 4.13Å; R223-T237 HydrophobicContact CB-CG2 4.08Å; R223-T237 HydrophobicContact CG-CG2 4.42Å; R223-V238 WeakPolarHBondContact CA-O 3.49Å; R223-V238 WeakPolarHBondContact CB-O 3.19Å; R223-T245 PolarHBondContact N-OG1 2.97Å; R223-T245 PolarHBondContact O-OG1 2.91Å; R223-T245 VanDerWaalsContact O-OG1 3.1Å |
| 224 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141 | 154.7 | -64.6 | 0 | 0 | 0 | 0 | 109 | W215 V216 A217 V238 L240 C248 M258 V260 I284 | W215-V224 HydrophobicContact CE3-CB 4.36Å; W215-V224 HydrophobicContact CE3-CG2 4.01Å; W215-V224 HydrophobicContact CZ3-CG2 4.11Å; V216-V224 CarbonylContact O-C 3.43Å; V216-V224 VanDerWaalsContact O-CA 3.26Å; V216-V224 WeakPolarHBondContact O-CA 3.41Å; A217-V224 HydrophobicContact CB-CG1 4.38Å; V224-V238 HydrophobicContact CG2-CB 3.89Å; V224-V238 PolarHBondContact N-O 2.98Å; V224-V238 PolarHBondContact O-N 2.8Å; V224-L240 HydrophobicContact CG1-CD1 4.36Å; V224-L240 HydrophobicContact CG2-CD1 4.3Å; V224-C248 HydrophobicContact CG1-CB 4.23Å; V224-M258 HydrophobicContact CG2-SD 4.01Å; V224-V260 HydrophobicContact CG1-CG1 3.98Å; V224-V260 HydrophobicContact CG1-CG2 3.88Å; V224-I284 HydrophobicContact CG2-CD1 4.1Å |
| 225 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.9 | 176.1 | 62.4 | 179.7 | 0 | 0 | 0 | 110.2 | Y194 M196 E200 W215 V216 R223 L227 R234 Q236 T237 | Y194-I225 HydrophobicContact CE1-CD1 3.89Å; M196-I225 HydrophobicContact CE-CD1 3.65Å; M196-I225 HydrophobicContact SD-CD1 4.29Å; E200-I225 WeakPolarHBondContact OE1-CD1 3.34Å; W215-I225 CarbonylContact C-O 3.52Å; W215-I225 VanDerWaalsContact CA-O 3.29Å; W215-I225 WeakPolarHBondContact CA-O 3.45Å; V216-I225 HydrophobicContact CB-CG1 3.96Å; V216-I225 PolarHBondContact N-O 3.06Å; V216-I225 PolarHBondContact O-N 3.19Å; R223-I225 HydrophobicContact CG-CG2 4.13Å; I225-L227 HydrophobicContact CB-CD2 4.47Å; I225-L227 HydrophobicContact CD1-CD1 4.35Å; I225-L227 HydrophobicContact CD1-CD2 3.79Å; I225-L227 HydrophobicContact CD1-CG 4.3Å; I225-L227 HydrophobicContact CG1-CD2 4.01Å; I225-L227 HydrophobicContact CG1-CG 4.21Å; I225-R234 HydrophobicContact CB-CG 4.37Å; I225-Q236 CarbonylContact C-O 3.59Å; I225-Q236 WeakPolarHBondContact CA-O 3.26Å; I225-T237 HydrophobicContact CG2-CG2 4.27Å |
| 226 | R | 98.9 | Very high | 98.5 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.3 | 173.7 | -165.9 | -174.8 | -167.9 | -151 | -10.7 | 109 | D209 E211 K213 L214 W215 R234 I235 Q236 | D209-R226 IonicContact OD1-NH2 3.89Å; D209-R226 PolarHBondContact OD1-NH2 3.05Å; D209-R226 IonicContact OD2-CZ 3.52Å; D209-R226 IonicContact OD2-NE 3.1Å; D209-R226 PolarHBondContact OD2-NE 2.9Å; D209-R226 IonicContact OD2-NH2 2.7Å; D209-R226 PolarHBondContact OD2-NH2 3.42Å; E211-R226 IonicContact OE2-CZ 3.41Å; E211-R226 IonicContact OE2-NH1 2.75Å; E211-R226 PolarHBondContact OE2-NH1 3.01Å; E211-R226 IonicContact OE2-NH2 3.16Å; E211-R226 PolarHBondContact OE2-NH2 2.86Å; K213-R226 HydrophobicContact CB-CG 4.09Å; L214-R226 CarbonylContact O-C 3.59Å; L214-R226 VanDerWaalsContact O-CA 3.25Å; L214-R226 WeakPolarHBondContact O-CA 3.24Å; W215-R226 HydrophobicContact CD2-CB 3.95Å; W215-R226 HydrophobicContact CD2-CG 3.99Å; W215-R226 HydrophobicContact CE3-CB 3.96Å; W215-R226 HydrophobicContact CE3-CG 4.49Å; W215-R226 HydrophobicContact CG-CG 4.48Å; W215-R226 HydrophobicContact CH2-CB 3.9Å; W215-R226 HydrophobicContact CH2-CG 4.25Å; W215-R226 HydrophobicContact CZ2-CB 3.9Å; W215-R226 HydrophobicContact CZ2-CG 3.72Å; W215-R226 HydrophobicContact CZ3-CB 3.93Å; R226-R234 CarbonylContact O-C 3.3Å; R226-I235 HydrophobicContact CB-CB 4.44Å; R226-I235 HydrophobicContact CG-CB 4.49Å; R226-I235 HydrophobicContact CG-CD1 4.44Å; R226-I235 PolarHBondContact O-N 3.05Å; R226-Q236 HydrophobicContact CB-CB 3.85Å; R226-Q236 PolarHBondContact N-O 3.37Å; R226-Q236 PolarHBondContact O-N 2.9Å |
| 227 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.9 | -174.4 | -54.4 | 179.4 | 0 | 0 | 0 | 110.8 | V175 Y194 K213 L214 V216 I225 P229 R234 | V175-L227 HydrophobicContact CG2-CD1 3.87Å; Y194-L227 HydrophobicContact CD1-CD1 3.53Å; Y194-L227 HydrophobicContact CD1-CD2 3.98Å; Y194-L227 HydrophobicContact CD1-CG 4.4Å; Y194-L227 HydrophobicContact CD2-CD1 4.34Å; Y194-L227 HydrophobicContact CD2-CD2 3.85Å; Y194-L227 HydrophobicContact CE1-CD1 4.07Å; Y194-L227 HydrophobicContact CE1-CD2 3.78Å; Y194-L227 HydrophobicContact CE2-CD2 3.66Å; Y194-L227 HydrophobicContact CG-CD1 3.69Å; Y194-L227 HydrophobicContact CG-CD2 4.01Å; Y194-L227 HydrophobicContact CG-CG 4.41Å; K213-L227 WeakPolarHBondContact CA-O 3.43Å; K213-L227 WeakPolarHBondContact CB-O 3.34Å; L214-L227 HydrophobicContact CB-CB 4.33Å; L214-L227 PolarHBondContact N-O 3.42Å; L214-L227 PolarHBondContact O-N 2.94Å; V216-L227 HydrophobicContact CG2-CD1 3.74Å; V216-L227 HydrophobicContact CG2-CG 4.47Å; I225-L227 HydrophobicContact CB-CD2 4.47Å; I225-L227 HydrophobicContact CD1-CD1 4.35Å; I225-L227 HydrophobicContact CD1-CD2 3.79Å; I225-L227 HydrophobicContact CD1-CG 4.3Å; I225-L227 HydrophobicContact CG1-CD2 4.01Å; I225-L227 HydrophobicContact CG1-CG 4.21Å; L227-P229 WeakPolarHBondContact O-CD 3.41Å; L227-R234 HydrophobicContact CD2-CB 3.95Å; L227-R234 HydrophobicContact CD2-CG 4.24Å |
| 228 | D | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 107.1 | 166.8 | -172.7 | -0.4 | 0 | 0 | 0 | 109.9 | K213 E230 T231 G232 K233 I235 | K213-D228 HydrophobicContact CD-CB 4.16Å; D228-E230 PolarHBondContact O-N 2.72Å; D228-E230 PolarHBondContact OD1-N 2.93Å; D228-E230 VanDerWaalsContact OD1-N 3.13Å; D228-T231 WeakPolarHBondContact CB-OG1 3.32Å; D228-T231 VanDerWaalsContact CG-OG1 3.23Å; D228-T231 PolarHBondContact O-N 2.58Å; D228-T231 VanDerWaalsContact OD2-CG2 3.3Å; D228-T231 WeakPolarHBondContact OD2-CG2 3.3Å; D228-T231 PolarHBondContact OD2-OG1 3.25Å; D228-G232 WeakPolarHBondContact O-CA 3.29Å; D228-G232 PolarHBondContact O-N 3.3Å; D228-K233 PolarHBondContact N-O 2.88Å; D228-K233 PolarHBondContact O-N 3.3Å; D228-I235 HydrophobicContact CB-CD1 3.71Å; D228-I235 HydrophobicContact CB-CG1 4Å |
| 229 | P | 98.2 | Very high | 98.4 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.4 | -178.8 | 29.2 | -35.3 | 0 | 0 | 0 | 113.1 | F166 I193 G212 L214 L227 | F166-P229 HydrophobicContact CE1-CB 3.65Å; F166-P229 HydrophobicContact CE1-CG 4.31Å; F166-P229 HydrophobicContact CZ-CB 3.92Å; F166-P229 HydrophobicContact CZ-CG 4.07Å; I193-P229 HydrophobicContact CD1-CB 3.5Å; G212-P229 WeakPolarHBondContact O-CG 3.32Å; L214-P229 HydrophobicContact CD1-CB 4.06Å; L214-P229 HydrophobicContact CD1-CG 4.48Å; L214-P229 HydrophobicContact CG-CG 4.49Å; L227-P229 WeakPolarHBondContact O-CD 3.41Å |
| 230 | E | 97.3 | Very high | 98.4 | Very high | 165 Ų | 165 | 49.5 Ų | 49.5 | 77% | 0.771 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -40 | -179.9 | -64.5 | 174.9 | -161.3 | 0 | 0 | 111.6 | D228 | D228-E230 PolarHBondContact O-N 2.72Å; D228-E230 PolarHBondContact OD1-N 2.93Å; D228-E230 VanDerWaalsContact OD1-N 3.13Å |
| 231 | T | 98.1 | Very high | 98.4 | Very high | 78 Ų | 78 | 49.7 Ų | 49.7 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -11.8 | -176.5 | 65 | 0 | 0 | 0 | 0 | 113.7 | D228 K233 | D228-T231 WeakPolarHBondContact CB-OG1 3.32Å; D228-T231 VanDerWaalsContact CG-OG1 3.23Å; D228-T231 PolarHBondContact O-N 2.58Å; D228-T231 VanDerWaalsContact OD2-CG2 3.3Å; D228-T231 WeakPolarHBondContact OD2-CG2 3.3Å; D228-T231 PolarHBondContact OD2-OG1 3.25Å; T231-K233 VanDerWaalsContact C-N 3.29Å; T231-K233 PolarHBondContact O-N 3.4Å |
| 232 | G | 97.2 | Very high | 98.4 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 32% | 0.32 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 27.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I193 D228 | I193-G232 WeakPolarHBondContact O-CA 3.29Å; D228-G232 WeakPolarHBondContact O-CA 3.29Å; D228-G232 PolarHBondContact O-N 3.3Å |
| 233 | K | 98.4 | Very high | 98.3 | Very high | 142 Ų | 142 | 51.5 Ų | 51.5 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.6 | -176.2 | -68.7 | -177.9 | 179.1 | 177.7 | 0 | 112 | D228 T231 I235 | D228-K233 PolarHBondContact N-O 2.88Å; D228-K233 PolarHBondContact O-N 3.3Å; T231-K233 VanDerWaalsContact C-N 3.29Å; T231-K233 PolarHBondContact O-N 3.4Å; K233-I235 PolarHBondContact O-N 2.88Å |
| 234 | R | 98.7 | Very high | 98.3 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 31% | 0.306 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 123.1 | 163.3 | -177.6 | 177.9 | 66.6 | -149.9 | -11 | 110.1 | Y194 E197 E200 I225 R226 L227 T237 | Y194-R234 HydrophobicContact CE2-CB 4.22Å; E197-R234 IonicContact OE1-NH2 3.27Å; E197-R234 IonicContact OE2-CZ 3.97Å; E197-R234 IonicContact OE2-NH1 2.8Å; E197-R234 PolarHBondContact OE2-NH1 2.97Å; E197-R234 IonicContact OE2-NH2 3.43Å; E197-R234 PolarHBondContact OE2-NH2 3.46Å; E200-R234 WeakPolarHBondContact OE1-CD 3.31Å; E200-R234 IonicContact OE1-CZ 2.8Å; E200-R234 IonicContact OE1-NE 3.6Å; E200-R234 IonicContact OE1-NH1 2.79Å; E200-R234 PolarHBondContact OE1-NH1 3.15Å; I225-R234 HydrophobicContact CB-CG 4.37Å; R226-R234 CarbonylContact O-C 3.3Å; L227-R234 HydrophobicContact CD2-CB 3.95Å; L227-R234 HydrophobicContact CD2-CG 4.24Å; R234-T237 WeakPolarHBondContact CD-OG1 3.09Å |
| 235 | I | 98.3 | Very high | 98.3 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -40.9 | 178.5 | -60.1 | 163.2 | 0 | 0 | 0 | 110.9 | K213 R226 D228 K233 | K213-I235 HydrophobicContact CB-CD1 4.23Å; K213-I235 HydrophobicContact CD-CD1 3.64Å; K213-I235 HydrophobicContact CG-CD1 3.82Å; R226-I235 HydrophobicContact CB-CB 4.44Å; R226-I235 HydrophobicContact CG-CB 4.49Å; R226-I235 HydrophobicContact CG-CD1 4.44Å; R226-I235 PolarHBondContact O-N 3.05Å; D228-I235 HydrophobicContact CB-CD1 3.71Å; D228-I235 HydrophobicContact CB-CG1 4Å; K233-I235 PolarHBondContact O-N 2.88Å |
| 236 | Q | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 151.6 | -170.5 | -171.8 | 176.8 | -8.6 | 0 | 0 | 111.2 | I225 R226 V238 | I225-Q236 CarbonylContact C-O 3.59Å; I225-Q236 WeakPolarHBondContact CA-O 3.26Å; R226-Q236 HydrophobicContact CB-CB 3.85Å; R226-Q236 PolarHBondContact N-O 3.37Å; R226-Q236 PolarHBondContact O-N 2.9Å; Q236-V238 HydrophobicContact CG-CG2 4.45Å |
| 237 | T | 98.8 | Very high | 98.3 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133 | 169.7 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | R223 I225 R234 K239 | R223-T237 HydrophobicContact CB-CG2 4.08Å; R223-T237 HydrophobicContact CG-CG2 4.42Å; I225-T237 HydrophobicContact CG2-CG2 4.27Å; R234-T237 WeakPolarHBondContact CD-OG1 3.09Å; T237-K239 HydrophobicContact CG2-CG 4.43Å |
| 238 | V | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.7 | 170.3 | -177 | 0 | 0 | 0 | 0 | 108 | V4 I6 W215 R223 V224 Q236 L240 I284 L287 | V4-V238 HydrophobicContact CG1-CG1 3.99Å; I6-V238 HydrophobicContact CD1-CG1 3.91Å; W215-V238 HydrophobicContact CH2-CG2 4.49Å; W215-V238 HydrophobicContact CZ3-CG2 4.14Å; R223-V238 WeakPolarHBondContact CA-O 3.49Å; R223-V238 WeakPolarHBondContact CB-O 3.19Å; V224-V238 HydrophobicContact CG2-CB 3.89Å; V224-V238 PolarHBondContact N-O 2.98Å; V224-V238 PolarHBondContact O-N 2.8Å; Q236-V238 HydrophobicContact CG-CG2 4.45Å; V238-L240 WeakPolarHBondContact O-CD1 3.22Å; V238-I284 HydrophobicContact CG1-CD1 4.04Å; V238-I284 HydrophobicContact CG1-CG2 4.29Å; V238-L287 HydrophobicContact CG2-CD2 3.91Å |
| 239 | K | 98.7 | Very high | 98.3 | Very high | 148 Ų | 148 | 49.2 Ų | 49.2 | 64% | 0.643 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 139.7 | 178.7 | -65.4 | -174.5 | 178.1 | -175.9 | 0 | 110.5 | I6 G222 T237 | I6-K239 WeakPolarHBondContact CD1-O 3.27Å; G222-K239 WeakPolarHBondContact O-CA 3.01Å; T237-K239 HydrophobicContact CG2-CG 4.43Å |
| 240 | L | 98.6 | Very high | 98.3 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | trans | -108.8 | 157.8 | 175.8 | -76 | 89.3 | 0 | 0 | 0 | 110.1 | G222 V224 V238 V242 T245 V260 F282 I284 | G222-L240 PolarHBondContact O-N 2.86Å; V224-L240 HydrophobicContact CG1-CD1 4.36Å; V224-L240 HydrophobicContact CG2-CD1 4.3Å; V238-L240 WeakPolarHBondContact O-CD1 3.22Å; L240-V242 HydrophobicContact CB-CG2 4.34Å; L240-V242 PolarHBondContact O-N 3.4Å; L240-V242 VanDerWaalsContact O-N 3.1Å; L240-T245 HydrophobicContact CB-CG2 3.89Å; L240-T245 HydrophobicContact CD1-CG2 4.1Å; L240-T245 HydrophobicContact CD2-CG2 3.91Å; L240-T245 HydrophobicContact CG-CG2 4.17Å; L240-V260 HydrophobicContact CD2-CB 3.78Å; L240-V260 HydrophobicContact CD2-CG1 3.6Å; L240-V260 HydrophobicContact CD2-CG2 4.21Å; L240-F282 HydrophobicContact CD2-CB 3.88Å; L240-F282 HydrophobicContact CD2-CD2 4.04Å; L240-F282 HydrophobicContact CD2-CG 3.94Å; L240-I284 HydrophobicContact CD1-CD1 4.24Å | ||
| 241 | P | 97.3 | Very high | 98.4 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -79 | 18.8 | -179.8 | 35.2 | -37.8 | 0 | 0 | 0 | 113.4 | F282 | P241-F282 HydrophobicContact CG-CD1 4.25Å; P241-F282 HydrophobicContact CG-CE1 3.52Å; P241-F282 HydrophobicContact CG-CZ 4.06Å |
| 242 | V | 97.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -141.4 | 142.3 | -179.9 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | G222 L240 T245 Q277 A278 F282 | G222-V242 WeakPolarHBondContact CA-O 3.46Å; L240-V242 HydrophobicContact CB-CG2 4.34Å; L240-V242 PolarHBondContact O-N 3.4Å; L240-V242 VanDerWaalsContact O-N 3.1Å; V242-T245 HydrophobicContact CG2-CG2 4.05Å; V242-Q277 HydrophobicContact CG1-CB 4.36Å; V242-A278 HydrophobicContact CG1-CB 4.38Å; V242-F282 HydrophobicContact CB-CE2 4.42Å; V242-F282 HydrophobicContact CB-CZ 4.44Å; V242-F282 HydrophobicContact CG1-CE2 3.95Å; V242-F282 HydrophobicContact CG1-CZ 3.61Å; V242-F282 HydrophobicContact CG2-CD2 4.27Å; V242-F282 HydrophobicContact CG2-CE2 3.52Å; V242-F282 HydrophobicContact CG2-CZ 3.9Å | ||
| 243 | D | 97.3 | Very high | 98.4 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -82.4 | -38.8 | -174.4 | -67.2 | -25.2 | 0 | 0 | 0 | 112.7 | D220 G221 G222 T245 W271 Q275 | D220-D243 CarbonylContact C-O 3.59Å; D220-D243 VanDerWaalsContact CA-O 3.25Å; D220-D243 WeakPolarHBondContact CA-O 3.35Å; D220-D243 PolarHBondContact N-O 3.26Å; G221-D243 PolarHBondContact N-O 3.33Å; G222-D243 WeakPolarHBondContact CA-O 3.32Å; G222-D243 PolarHBondContact N-O 3.06Å; D243-T245 VanDerWaalsContact C-N 3.27Å; D243-T245 PolarHBondContact O-N 3.01Å; D243-W271 HydrophobicContact CB-CZ2 4.09Å; D243-W271 WeakPolarHBondContact OD2-CZ2 3.31Å; D243-W271 PolarHBondContact OD2-NE1 2.91Å; D243-Q275 VanDerWaalsContact CG-NE2 3.26Å; D243-Q275 PolarHBondContact OD2-NE2 2.99Å |
| 244 | K | 97.9 | Very high | 98.4 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -85.9 | 60.6 | -176.6 | -66.3 | -176.5 | 179.9 | -59 | 0 | 111.8 | Y219 D220 S262 A263 E265 M267 | Y219-K244 HydrophobicContact CD2-CB 4.27Å; Y219-K244 HydrophobicContact CE1-CG 4.32Å; Y219-K244 HydrophobicContact CE2-CB 3.93Å; Y219-K244 HydrophobicContact CE2-CD 4.13Å; Y219-K244 HydrophobicContact CE2-CG 4.01Å; Y219-K244 WeakPolarHBondContact OH-CD 3.46Å; Y219-K244 WeakPolarHBondContact OH-CE 3.47Å; Y219-K244 PolarHBondContact OH-NZ 3.31Å; D220-K244 VanDerWaalsContact OD1-CG 3.25Å; D220-K244 WeakPolarHBondContact OD1-CG 3.31Å; D220-K244 IonicContact OD1-NZ 2.69Å; D220-K244 PolarHBondContact OD1-NZ 3.39Å; D220-K244 IonicContact OD2-NZ 3.6Å; K244-S262 CarbonylContact O-C 3.59Å; K244-S262 WeakPolarHBondContact O-CA 3.43Å; K244-S262 WeakPolarHBondContact O-CB 2.88Å; K244-A263 HydrophobicContact CB-CB 4.02Å; K244-A263 HydrophobicContact CD-CB 4.35Å; K244-A263 PolarHBondContact O-N 2.98Å; K244-E265 WeakPolarHBondContact CE-O 3.47Å; K244-M267 HydrophobicContact CB-CE 3.95Å; K244-M267 HydrophobicContact CD-CE 3.64Å; K244-M267 HydrophobicContact CD-CG 4.18Å; K244-M267 HydrophobicContact CG-CE 3.63Å |
| 245 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.6 | 170.8 | 45.8 | 0 | 0 | 0 | 0 | 110 | C218 Y219 R223 L240 V242 D243 V260 | C218-T245 CarbonylContact C-O 3.49Å; C218-T245 PolarHBondContact O-OG1 3.03Å; Y219-T245 WeakPolarHBondContact CA-O 3.44Å; Y219-T245 PolarHBondContact N-O 3.48Å; R223-T245 PolarHBondContact N-OG1 2.97Å; R223-T245 PolarHBondContact O-OG1 2.91Å; R223-T245 VanDerWaalsContact O-OG1 3.1Å; L240-T245 HydrophobicContact CB-CG2 3.89Å; L240-T245 HydrophobicContact CD1-CG2 4.1Å; L240-T245 HydrophobicContact CD2-CG2 3.91Å; L240-T245 HydrophobicContact CG-CG2 4.17Å; V242-T245 HydrophobicContact CG2-CG2 4.05Å; D243-T245 VanDerWaalsContact C-N 3.27Å; D243-T245 PolarHBondContact O-N 3.01Å; T245-V260 HydrophobicContact CG2-CG1 4.19Å |
| 246 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -48.8 | -166 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | I16 G17 E18 D204 G205 A217 Y219 T261 S262 A263 | I16-T246 HydrophobicContact CG2-CG2 4.42Å; G17-T246 WeakPolarHBondContact O-CB 3.44Å; G17-T246 PolarHBondContact O-OG1 2.73Å; E18-T246 VanDerWaalsContact OE1-C 3.32Å; E18-T246 VanDerWaalsContact OE1-CB 3.26Å; E18-T246 WeakPolarHBondContact OE1-CB 3.36Å; D204-T246 WeakPolarHBondContact CB-O 3.42Å; D204-T246 WeakPolarHBondContact OD2-CA 3.43Å; G205-T246 WeakPolarHBondContact CA-O 3.38Å; G205-T246 PolarHBondContact N-O 3.33Å; A217-T246 WeakPolarHBondContact CB-O 3.29Å; Y219-T246 HydrophobicContact CD2-CG2 4.06Å; Y219-T246 HydrophobicContact CE2-CG2 4.31Å; T246-T261 PolarHBondContact N-O 3.43Å; T246-T261 WeakPolarHBondContact OG1-CB 3.21Å; T246-T261 PolarHBondContact OG1-O 3.39Å; T246-T261 VanDerWaalsContact OG1-O 3.14Å; T246-T261 PolarHBondContact OG1-OG1 2.8Å; T246-S262 PolarHBondContact OG1-N 3.39Å; T246-A263 HydrophobicContact CG2-CB 3.82Å |
| 247 | S | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 170 | -179.5 | -173 | 0 | 0 | 0 | 0 | 111.9 | E18 P20 V260 T261 | E18-S247 WeakPolarHBondContact OE2-CB 3.34Å; P20-S247 WeakPolarHBondContact CD-OG 3.46Å; S247-V260 CarbonylContact O-C 3.48Å; S247-V260 VanDerWaalsContact O-CA 3.29Å; S247-V260 WeakPolarHBondContact O-CA 3.24Å; S247-V260 WeakPolarHBondContact O-CG1 3.3Å; S247-T261 PolarHBondContact N-OG1 2.93Å; S247-T261 VanDerWaalsContact N-OG1 3.14Å; S247-T261 PolarHBondContact O-N 3.14Å; S247-T261 PolarHBondContact O-OG1 3.23Å |
| 248 | C | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 147.8 | 178.9 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | C207 W215 V224 M258 Y259 V260 | C207-C248 WeakPolarHBondContact CB-O 3.09Å; C207-C248 PolarHBondContact SG-O 2.9Å; W215-C248 PolarHBondContact O-SG 2.9Å; V224-C248 HydrophobicContact CG1-CB 4.23Å; C248-M258 HydrophobicContact CB-CG 4.31Å; C248-M258 HydrophobicContact CB-SD 4.14Å; C248-Y259 CarbonylContact C-O 3.55Å; C248-Y259 WeakPolarHBondContact CA-O 3.49Å; C248-V260 HydrophobicContact CB-CG2 4.06Å |
| 249 | C | 98.9 | Very high | 98.5 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 10% | 0.095 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 162.9 | 170.4 | 85.5 | 0 | 0 | 0 | 0 | 110.5 | P20 M258 Y259 | P20-C249 HydrophobicContact CB-CB 4.19Å; P20-C249 HydrophobicContact CG-CB 4.11Å; P20-C249 WeakPolarHBondContact O-CB 3.36Å; P20-C249 PolarHBondContact O-SG 3.36Å; C249-M258 CarbonylContact O-C 3.49Å; C249-M258 WeakPolarHBondContact O-CA 3.47Å; C249-Y259 PolarHBondContact N-O 2.71Å; C249-Y259 PolarHBondContact O-N 3.46Å |
| 250 | F | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 153.4 | 166.9 | -75 | -92.5 | 0 | 0 | 0 | 111.6 | W22 D209 W215 Y255 E257 M258 L287 V289 G291 | W22-F250 WeakPolarHBondContact CB-O 3.38Å; D209-F250 HydrophobicContact CB-CE2 3.94Å; D209-F250 HydrophobicContact CB-CZ 4.11Å; W215-F250 AromaticContact CD1-CE2 3.72Å; W215-F250 AromaticContact CD1-CZ 3.98Å; W215-F250 HydrophobicContact CG-CE2 4.33Å; W215-F250 AromaticContact NE1-CE2 3.95Å; W215-F250 AromaticContact NE1-CZ 3.72Å; F250-Y255 HydrophobicContact CB-CD1 4.49Å; F250-Y255 WeakPolarHBondContact CD1-O 3.48Å; F250-E257 CarbonylContact C-O 3.52Å; F250-E257 VanDerWaalsContact CA-O 3.3Å; F250-E257 WeakPolarHBondContact CA-O 3.49Å; F250-M258 HydrophobicContact CD1-CB 4.32Å; F250-M258 HydrophobicContact CD2-CE 4.27Å; F250-M258 HydrophobicContact CE1-CB 4.26Å; F250-M258 HydrophobicContact CE1-CE 4.2Å; F250-M258 HydrophobicContact CE2-CE 3.57Å; F250-M258 HydrophobicContact CZ-CE 3.53Å; F250-L287 HydrophobicContact CE1-CD1 4.1Å; F250-L287 HydrophobicContact CZ-CD1 4.29Å; F250-V289 HydrophobicContact CE1-CG1 4.49Å; F250-V289 HydrophobicContact CZ-CG1 4.18Å; F250-G291 VanDerWaalsContact CD1-N 3.31Å; F250-G291 VanDerWaalsContact CG-N 3.34Å |
| 251 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | -156.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y255 S256 E257 | G251-Y255 CarbonylContact O-C 3.57Å; G251-Y255 VanDerWaalsContact O-C 3.3Å; G251-Y255 WeakPolarHBondContact O-CA 3.25Å; G251-S256 PolarHBondContact O-N 3.27Å; G251-E257 PolarHBondContact N-O 3.02Å; G251-E257 PolarHBondContact O-N 3.22Å |
| 252 | G | 98.5 | Very high | 98.5 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 8% | 0.082 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 66.9 | -166.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D254 Y255 | G252-D254 PolarHBondContact O-N 3Å; G252-Y255 PolarHBondContact O-N 2.86Å |
| 253 | K | 97.4 | Very high | 98.5 | Very high | 162 Ų | 162 | 22.5 Ų | 22.5 | 70% | 0.704 | 12% | 0.116 | S | C | * | . | G | 310 helix | trans | -64 | 128.8 | -179.9 | -176.9 | 176.1 | 177.4 | 179.8 | 0 | 110.1 | Y255 S256 | K253-Y255 PolarHBondContact O-N 3.04Å; K253-Y255 VanDerWaalsContact O-N 3.09Å; K253-S256 WeakPolarHBondContact O-CB 3.49Å; K253-S256 PolarHBondContact O-N 2.68Å; K253-S256 VanDerWaalsContact O-N 3.17Å; K253-S256 PolarHBondContact O-OG 3.34Å |
| 254 | D | 97.8 | Very high | 98.5 | Very high | 94 Ų | 94 | 21 Ų | 21 | 50% | 0.503 | 11% | 0.11 | S | C | . | . | G | 310 helix | trans | 51.7 | 29.3 | -179.9 | -47.9 | -34.5 | 0 | 0 | 0 | 113.6 | G252 S256 K290 | G252-D254 PolarHBondContact O-N 3Å; D254-S256 PolarHBondContact O-N 3.02Å; D254-K290 HydrophobicContact CB-CD 4.43Å; D254-K290 WeakPolarHBondContact O-CD 3.39Å; D254-K290 IonicContact OD2-NZ 3.7Å |
| 255 | Y | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 23.3 Ų | 23.3 | 6% | 0.059 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | 55.6 | 35.5 | -179.3 | -61.5 | -90.2 | 0 | 0 | 0 | 113.5 | W22 F250 G251 G252 K253 K290 G291 P293 | W22-Y255 HydrophobicContact CB-CE1 4.25Å; W22-Y255 AromaticContact CD1-CE1 3.51Å; W22-Y255 AromaticContact CD1-CZ 3.87Å; W22-Y255 HydrophobicContact CG-CE1 4.23Å; F250-Y255 HydrophobicContact CB-CD1 4.49Å; F250-Y255 WeakPolarHBondContact CD1-O 3.48Å; G251-Y255 CarbonylContact O-C 3.57Å; G251-Y255 VanDerWaalsContact O-C 3.3Å; G251-Y255 WeakPolarHBondContact O-CA 3.25Å; G252-Y255 PolarHBondContact O-N 2.86Å; K253-Y255 PolarHBondContact O-N 3.04Å; K253-Y255 VanDerWaalsContact O-N 3.09Å; Y255-K290 CarbonylContact O-C 3.35Å; Y255-K290 VanDerWaalsContact O-CA 3.29Å; Y255-K290 WeakPolarHBondContact O-CA 3.35Å; Y255-G291 WeakPolarHBondContact CB-O 3.32Å; Y255-G291 PolarHBondContact O-N 3.05Å; Y255-P293 HydrophobicContact CD2-CG 4.13Å; Y255-P293 VanDerWaalsContact CE1-CA 3.5Å; Y255-P293 HydrophobicContact CE1-CB 4.26Å; Y255-P293 HydrophobicContact CE2-CB 3.96Å; Y255-P293 HydrophobicContact CE2-CG 3.51Å; Y255-P293 WeakPolarHBondContact OH-CA 3.48Å; Y255-P293 WeakPolarHBondContact OH-CB 3.36Å |
| 256 | S | 98.7 | Very high | 97.8 | Very high | 48 Ų | 48 | 26.4 Ų | 26.4 | 34% | 0.336 | 15% | 0.152 | S | C | . | . | trans | -93.5 | -2.8 | -175.5 | 61.5 | 0 | 0 | 0 | 0 | 114.9 | G251 K253 D254 | G251-S256 PolarHBondContact O-N 3.27Å; K253-S256 WeakPolarHBondContact O-CB 3.49Å; K253-S256 PolarHBondContact O-N 2.68Å; K253-S256 VanDerWaalsContact O-N 3.17Å; K253-S256 PolarHBondContact O-OG 3.34Å; D254-S256 PolarHBondContact O-N 3.02Å | ||
| 257 | E | 98.8 | Very high | 97.3 | Very high | 47 Ų | 47 | 27.4 Ų | 27.4 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.9 | 177.9 | -48.2 | -174.2 | 140.2 | 0 | 0 | 108.4 | F250 G251 Y259 K283 T285 | F250-E257 CarbonylContact C-O 3.52Å; F250-E257 VanDerWaalsContact CA-O 3.3Å; F250-E257 WeakPolarHBondContact CA-O 3.49Å; G251-E257 PolarHBondContact N-O 3.02Å; G251-E257 PolarHBondContact O-N 3.22Å; E257-Y259 HydrophobicContact CB-CE2 4.49Å; E257-Y259 PolarHBondContact OE2-OH 2.74Å; E257-K283 HydrophobicContact CB-CD 4.41Å; E257-K283 HydrophobicContact CB-CG 4.23Å; E257-K283 WeakPolarHBondContact OE2-CD 3.48Å; E257-T285 HydrophobicContact CB-CG2 4.39Å; E257-T285 HydrophobicContact CG-CG2 4.05Å |
| 258 | M | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135 | 171.6 | 170.7 | 177.3 | -71.3 | 0 | 0 | 109.5 | W215 V224 C248 C249 F250 V260 K283 I284 L287 | W215-M258 HydrophobicContact CB-CE 3.73Å; W215-M258 HydrophobicContact CD2-CE 3.44Å; W215-M258 VanDerWaalsContact CD2-CE 3.44Å; W215-M258 HydrophobicContact CE3-CE 3.72Å; W215-M258 HydrophobicContact CE3-SD 4.23Å; W215-M258 HydrophobicContact CG-CE 3.46Å; W215-M258 VanDerWaalsContact CG-CE 3.46Å; W215-M258 HydrophobicContact CZ3-CE 4.47Å; V224-M258 HydrophobicContact CG2-SD 4.01Å; C248-M258 HydrophobicContact CB-CG 4.31Å; C248-M258 HydrophobicContact CB-SD 4.14Å; C249-M258 CarbonylContact O-C 3.49Å; C249-M258 WeakPolarHBondContact O-CA 3.47Å; F250-M258 HydrophobicContact CD1-CB 4.32Å; F250-M258 HydrophobicContact CD2-CE 4.27Å; F250-M258 HydrophobicContact CE1-CB 4.26Å; F250-M258 HydrophobicContact CE1-CE 4.2Å; F250-M258 HydrophobicContact CE2-CE 3.57Å; F250-M258 HydrophobicContact CZ-CE 3.53Å; M258-V260 HydrophobicContact CG-CG2 3.89Å; M258-V260 HydrophobicContact SD-CG2 4Å; M258-K283 CarbonylContact O-C 3.59Å; M258-K283 VanDerWaalsContact O-CA 3.3Å; M258-K283 WeakPolarHBondContact O-CA 3.49Å; M258-I284 HydrophobicContact CB-CB 4.25Å; M258-I284 PolarHBondContact N-O 2.92Å; M258-I284 PolarHBondContact O-N 3.09Å; M258-I284 HydrophobicContact SD-CD1 4.26Å; M258-L287 HydrophobicContact CB-CD1 3.7Å; M258-L287 HydrophobicContact CE-CD1 3.97Å; M258-L287 HydrophobicContact SD-CD1 4.11Å |
| 259 | Y | 98.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.3 | 168.8 | -64.5 | -83.3 | 0 | 0 | 0 | 109.7 | V9 W22 L29 W42 C248 C249 E257 F282 K283 | V9-Y259 HydrophobicContact CG2-CD1 4.32Å; V9-Y259 HydrophobicContact CG2-CE1 4.3Å; W22-Y259 HydrophobicContact CD2-CE2 4.5Å; W22-Y259 HydrophobicContact CE3-CD2 4.4Å; W22-Y259 AromaticContact CE3-CE2 3.72Å; W22-Y259 HydrophobicContact CE3-CE2 3.72Å; W22-Y259 AromaticContact CZ3-CE2 3.78Å; W22-Y259 HydrophobicContact CZ3-CE2 3.78Å; W22-Y259 AromaticContact CZ3-CZ 3.82Å; W22-Y259 WeakPolarHBondContact CZ3-OH 3.27Å; L29-Y259 HydrophobicContact CD1-CD2 3.92Å; L29-Y259 HydrophobicContact CD1-CG 3.89Å; L29-Y259 HydrophobicContact CD2-CD1 3.85Å; L29-Y259 HydrophobicContact CD2-CG 3.85Å; L29-Y259 HydrophobicContact CG-CG 4.45Å; W42-Y259 HydrophobicContact CE3-CE1 4.35Å; W42-Y259 HydrophobicContact CH2-CE1 4.08Å; W42-Y259 HydrophobicContact CZ3-CD1 4.47Å; W42-Y259 AromaticContact CZ3-CE1 3.5Å; W42-Y259 HydrophobicContact CZ3-CE1 3.5Å; W42-Y259 VanDerWaalsContact CZ3-CE1 3.5Å; W42-Y259 AromaticContact CZ3-CZ 3.85Å; C248-Y259 CarbonylContact C-O 3.55Å; C248-Y259 WeakPolarHBondContact CA-O 3.49Å; C249-Y259 PolarHBondContact N-O 2.71Å; C249-Y259 PolarHBondContact O-N 3.46Å; E257-Y259 HydrophobicContact CB-CE2 4.49Å; E257-Y259 PolarHBondContact OE2-OH 2.74Å; Y259-F282 CarbonylContact C-O 3.53Å; Y259-F282 VanDerWaalsContact CA-O 3.23Å; Y259-F282 WeakPolarHBondContact CA-O 3.47Å; Y259-K283 HydrophobicContact CD1-CB 4.05Å; Y259-K283 HydrophobicContact CD1-CG 4.27Å; Y259-K283 HydrophobicContact CE1-CB 3.9Å; Y259-K283 HydrophobicContact CE1-CD 3.99Å; Y259-K283 HydrophobicContact CE1-CG 3.83Å |
| 260 | V | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.8 | -179.1 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | V224 L240 T245 S247 C248 M258 V281 F282 I284 | V224-V260 HydrophobicContact CG1-CG1 3.98Å; V224-V260 HydrophobicContact CG1-CG2 3.88Å; L240-V260 HydrophobicContact CD2-CB 3.78Å; L240-V260 HydrophobicContact CD2-CG1 3.6Å; L240-V260 HydrophobicContact CD2-CG2 4.21Å; T245-V260 HydrophobicContact CG2-CG1 4.19Å; S247-V260 CarbonylContact O-C 3.48Å; S247-V260 VanDerWaalsContact O-CA 3.29Å; S247-V260 WeakPolarHBondContact O-CA 3.24Å; S247-V260 WeakPolarHBondContact O-CG1 3.3Å; C248-V260 HydrophobicContact CB-CG2 4.06Å; M258-V260 HydrophobicContact CG-CG2 3.89Å; M258-V260 HydrophobicContact SD-CG2 4Å; V260-V281 WeakPolarHBondContact O-CA 3.29Å; V260-F282 HydrophobicContact CB-CB 4.43Å; V260-F282 PolarHBondContact N-O 2.64Å; V260-F282 PolarHBondContact O-N 3.26Å; V260-I284 HydrophobicContact CG2-CD1 3.65Å; V260-I284 HydrophobicContact CG2-CG1 4.23Å |
| 261 | T | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 160.1 | 174.1 | 50.6 | 0 | 0 | 0 | 0 | 110.7 | G17 P20 T246 S247 V281 | G17-T261 WeakPolarHBondContact O-CB 3.19Å; G17-T261 PolarHBondContact O-OG1 2.9Å; P20-T261 HydrophobicContact CB-CG2 4Å; P20-T261 HydrophobicContact CG-CG2 4.11Å; T246-T261 PolarHBondContact N-O 3.43Å; T246-T261 WeakPolarHBondContact OG1-CB 3.21Å; T246-T261 PolarHBondContact OG1-O 3.39Å; T246-T261 VanDerWaalsContact OG1-O 3.14Å; T246-T261 PolarHBondContact OG1-OG1 2.8Å; S247-T261 PolarHBondContact N-OG1 2.93Å; S247-T261 VanDerWaalsContact N-OG1 3.14Å; S247-T261 PolarHBondContact O-N 3.14Å; S247-T261 PolarHBondContact O-OG1 3.23Å; T261-V281 HydrophobicContact CG2-CG2 4.34Å |
| 262 | S | 98.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 169.7 | 174.8 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | G17 K244 T246 G279 G280 | G17-S262 WeakPolarHBondContact CA-O 3.45Å; G17-S262 PolarHBondContact N-O 2.64Å; K244-S262 CarbonylContact O-C 3.59Å; K244-S262 WeakPolarHBondContact O-CA 3.43Å; K244-S262 WeakPolarHBondContact O-CB 2.88Å; T246-S262 PolarHBondContact OG1-N 3.39Å; S262-G279 WeakPolarHBondContact O-CA 3.49Å; S262-G279 WeakPolarHBondContact OG-CA 3.17Å; S262-G279 PolarHBondContact OG-N 2.71Å; S262-G279 VanDerWaalsContact OG-N 3.12Å; S262-G280 PolarHBondContact N-O 2.55Å; S262-G280 PolarHBondContact OG-N 2.78Å; S262-G280 PolarHBondContact OG-O 3.27Å |
| 263 | A | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -117.1 | 152 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K15 I16 Y219 K244 T246 G279 | K15-A263 CarbonylContact O-C 3.56Å; K15-A263 WeakPolarHBondContact O-CA 3.2Å; K15-A263 VanDerWaalsContact O-CB 3.29Å; K15-A263 WeakPolarHBondContact O-CB 3.42Å; I16-A263 HydrophobicContact CB-CB 4.43Å; I16-A263 HydrophobicContact CG1-CB 4.31Å; I16-A263 HydrophobicContact CG2-CB 4.41Å; Y219-A263 HydrophobicContact CE2-CB 4.35Å; K244-A263 HydrophobicContact CB-CB 4.02Å; K244-A263 HydrophobicContact CD-CB 4.35Å; K244-A263 PolarHBondContact O-N 2.98Å; T246-A263 HydrophobicContact CG2-CB 3.82Å; A263-G279 PolarHBondContact O-N 2.71Å |
| 264 | S | 95.6 | Very high | 94.3 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | trans | -113.2 | -13.9 | 169 | 62.6 | 0 | 0 | 0 | 0 | 112.4 | Y14 K15 M267 | Y14-S264 PolarHBondContact O-N 3.33Å; Y14-S264 PolarHBondContact O-OG 2.69Å; K15-S264 PolarHBondContact O-N 2.95Å; S264-M267 WeakPolarHBondContact O-CB 3.09Å; S264-M267 WeakPolarHBondContact O-CG 3.24Å; S264-M267 PolarHBondContact O-N 2.78Å | ||
| 265 | E | 93.7 | Very high | 94.1 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 29% | 0.29 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 138.7 | -178.4 | -167.2 | 166 | -90.5 | 0 | 0 | 112 | K15 I16 T35 K244 M267 | K15-E265 HydrophobicContact CB-CB 4.28Å; K15-E265 WeakPolarHBondContact O-CB 3.4Å; K15-E265 PolarHBondContact O-N 3.32Å; I16-E265 HydrophobicContact CG1-CB 4.01Å; T35-E265 WeakPolarHBondContact CB-OE1 3.38Å; T35-E265 PolarHBondContact OG1-OE1 2.81Å; K244-E265 WeakPolarHBondContact CE-O 3.47Å; E265-M267 VanDerWaalsContact C-N 3.25Å; E265-M267 PolarHBondContact O-N 2.79Å |
| 266 | G | 88.1 | Confident | 93.9 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 66% | 0.66 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -1.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 267 | M | 88.8 | Confident | 93.7 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | trans | -82.4 | 137 | 172.4 | -64.2 | -168.4 | 176.2 | 0 | 0 | 111.6 | K244 S264 E265 W271 L272 A278 | K244-M267 HydrophobicContact CB-CE 3.95Å; K244-M267 HydrophobicContact CD-CE 3.64Å; K244-M267 HydrophobicContact CD-CG 4.18Å; K244-M267 HydrophobicContact CG-CE 3.63Å; S264-M267 WeakPolarHBondContact O-CB 3.09Å; S264-M267 WeakPolarHBondContact O-CG 3.24Å; S264-M267 PolarHBondContact O-N 2.78Å; E265-M267 VanDerWaalsContact C-N 3.25Å; E265-M267 PolarHBondContact O-N 2.79Å; M267-W271 HydrophobicContact CB-CB 4.16Å; M267-W271 HydrophobicContact CB-CG 4.28Å; M267-W271 HydrophobicContact CG-CG 4.15Å; M267-W271 VanDerWaalsContact SD-CD1 3.51Å; M267-W271 HydrophobicContact SD-CG 4.13Å; M267-L272 HydrophobicContact CB-CD2 3.94Å; M267-L272 HydrophobicContact CB-CG 3.93Å; M267-L272 HydrophobicContact SD-CD2 4.02Å; M267-A278 HydrophobicContact CE-CB 3.85Å; M267-A278 HydrophobicContact SD-CB 3.48Å; M267-A278 WeakPolarHBondContact SD-CB 3.27Å | ||
| 268 | D | 89.3 | Confident | 93.6 | Very high | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | trans | -82.4 | 175.7 | 171.3 | 67.3 | 30.3 | 0 | 0 | 0 | 112.1 | D270 W271 L272 | D268-D270 VanDerWaalsContact C-N 3.29Å; D268-D270 PolarHBondContact O-N 3.28Å; D268-D270 PolarHBondContact OD1-N 2.7Å; D268-D270 VanDerWaalsContact OD1-N 3.1Å; D268-W271 PolarHBondContact O-N 3.11Å; D268-W271 WeakPolarHBondContact OD1-CB 3.34Å; D268-W271 PolarHBondContact OD1-N 2.85Å; D268-L272 WeakPolarHBondContact O-CG 3.17Å; D268-L272 PolarHBondContact O-N 2.77Å | ||
| 269 | K | 88.9 | Confident | 93.6 | Very high | 182 Ų | 182 | 55 Ų | 55 | 79% | 0.791 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.4 | -37.4 | -177.8 | -69.6 | -175.1 | 178.8 | 179.7 | 0 | 112.8 | S273 | K269-S273 WeakPolarHBondContact O-CB 3.28Å; K269-S273 PolarHBondContact O-N 3.14Å |
| 270 | D | 89.8 | Confident | 93.5 | Very high | 118 Ų | 118 | 55 Ų | 55 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -71 | -39.5 | -178.1 | -68.2 | -12.2 | 0 | 0 | 0 | 109.9 | D268 S273 R274 | D268-D270 VanDerWaalsContact C-N 3.29Å; D268-D270 PolarHBondContact O-N 3.28Å; D268-D270 PolarHBondContact OD1-N 2.7Å; D268-D270 VanDerWaalsContact OD1-N 3.1Å; D270-S273 PolarHBondContact O-N 3.49Å; D270-S273 PolarHBondContact O-OG 3.28Å; D270-R274 WeakPolarHBondContact O-CG 3.19Å; D270-R274 PolarHBondContact O-N 3.35Å |
| 271 | W | 87 | Confident | 93.5 | Very high | 73 Ų | 73 | 55 Ų | 55 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 174.4 | -156.6 | -48.2 | 0 | 0 | 0 | 112 | D243 M267 D268 S273 R274 Q275 | D243-W271 HydrophobicContact CB-CZ2 4.09Å; D243-W271 WeakPolarHBondContact OD2-CZ2 3.31Å; D243-W271 PolarHBondContact OD2-NE1 2.91Å; M267-W271 HydrophobicContact CB-CB 4.16Å; M267-W271 HydrophobicContact CB-CG 4.28Å; M267-W271 HydrophobicContact CG-CG 4.15Å; M267-W271 VanDerWaalsContact SD-CD1 3.51Å; M267-W271 HydrophobicContact SD-CG 4.13Å; D268-W271 PolarHBondContact O-N 3.11Å; D268-W271 WeakPolarHBondContact OD1-CB 3.34Å; D268-W271 PolarHBondContact OD1-N 2.85Å; W271-S273 PolarHBondContact O-N 2.89Å; W271-R274 PolarHBondContact O-N 2.93Å; W271-Q275 VanDerWaalsContact NE1-CD 3.29Å; W271-Q275 PolarHBondContact O-N 2.78Å |
| 272 | L | 87.5 | Confident | 93.5 | Very high | 69 Ų | 69 | 55 Ų | 55 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -34.4 | 176.5 | -70 | 171.4 | 0 | 0 | 0 | 111.8 | M267 D268 R274 Q275 P276 A278 | M267-L272 HydrophobicContact CB-CD2 3.94Å; M267-L272 HydrophobicContact CB-CG 3.93Å; M267-L272 HydrophobicContact SD-CD2 4.02Å; D268-L272 WeakPolarHBondContact O-CG 3.17Å; D268-L272 PolarHBondContact O-N 2.77Å; L272-R274 VanDerWaalsContact C-N 3.32Å; L272-R274 PolarHBondContact O-N 2.8Å; L272-Q275 CarbonylContact O-C 3.53Å; L272-Q275 PolarHBondContact O-N 2.96Å; L272-P276 WeakPolarHBondContact O-CA 3.31Å; L272-A278 HydrophobicContact CD2-CB 4.19Å |
| 273 | S | 90.6 | Very high | 93.5 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.3 | -32.8 | 175.5 | 81.7 | 0 | 0 | 0 | 0 | 113.3 | K269 D270 W271 | K269-S273 WeakPolarHBondContact O-CB 3.28Å; K269-S273 PolarHBondContact O-N 3.14Å; D270-S273 PolarHBondContact O-N 3.49Å; D270-S273 PolarHBondContact O-OG 3.28Å; W271-S273 PolarHBondContact O-N 2.89Å |
| 274 | R | 94 | Very high | 93.6 | Very high | 172 Ų | 172 | 56.2 Ų | 56.2 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -80.2 | -26 | 177.1 | -68.4 | -175.5 | -65.3 | -178.3 | 2.7 | 112.7 | D270 W271 L272 P276 | D270-R274 WeakPolarHBondContact O-CG 3.19Å; D270-R274 PolarHBondContact O-N 3.35Å; W271-R274 PolarHBondContact O-N 2.93Å; L272-R274 VanDerWaalsContact C-N 3.32Å; L272-R274 PolarHBondContact O-N 2.8Å; R274-P276 VanDerWaalsContact C-CD 3.49Å |
| 275 | Q | 94.6 | Very high | 93.7 | Very high | 21 Ų | 21 | 57 Ų | 57 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | trans | -128.9 | 68.6 | -177.3 | -67.4 | 170.9 | 39.6 | 0 | 0 | 109.5 | D243 W271 L272 Q277 A278 | D243-Q275 VanDerWaalsContact CG-NE2 3.26Å; D243-Q275 PolarHBondContact OD2-NE2 2.99Å; W271-Q275 VanDerWaalsContact NE1-CD 3.29Å; W271-Q275 PolarHBondContact O-N 2.78Å; L272-Q275 CarbonylContact O-C 3.53Å; L272-Q275 PolarHBondContact O-N 2.96Å; Q275-Q277 PolarHBondContact O-N 3.37Å; Q275-A278 HydrophobicContact CB-CB 4.26Å; Q275-A278 VanDerWaalsContact O-CB 3.3Å; Q275-A278 WeakPolarHBondContact O-CB 3.46Å; Q275-A278 PolarHBondContact O-N 3.32Å | ||
| 276 | P | 93.8 | Very high | 93.9 | Very high | 99 Ų | 99 | 55.1 Ų | 55.1 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.4 | -173.4 | 26.8 | -36.4 | 0 | 0 | 0 | 113.9 | L272 R274 | L272-P276 WeakPolarHBondContact O-CA 3.31Å; R274-P276 VanDerWaalsContact C-CD 3.49Å |
| 277 | Q | 96 | Very high | 94.4 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 10.2 | 177.3 | -60.6 | 179.6 | -45.2 | 0 | 0 | 112.7 | C8 V242 Q275 G280 F282 | C8-Q277 HydrophobicContact CB-CG 4.42Å; V242-Q277 HydrophobicContact CG1-CB 4.36Å; Q275-Q277 PolarHBondContact O-N 3.37Å; Q277-G280 WeakPolarHBondContact O-CA 3.38Å; Q277-G280 PolarHBondContact O-N 2.72Å; Q277-F282 HydrophobicContact CB-CE1 4.21Å; Q277-F282 HydrophobicContact CB-CZ 3.74Å |
| 278 | A | 96.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 137.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | V242 M267 L272 Q275 | V242-A278 HydrophobicContact CG1-CB 4.38Å; M267-A278 HydrophobicContact CE-CB 3.85Å; M267-A278 HydrophobicContact SD-CB 3.48Å; M267-A278 WeakPolarHBondContact SD-CB 3.27Å; L272-A278 HydrophobicContact CD2-CB 4.19Å; Q275-A278 HydrophobicContact CB-CB 4.26Å; Q275-A278 VanDerWaalsContact O-CB 3.3Å; Q275-A278 WeakPolarHBondContact O-CB 3.46Å; Q275-A278 PolarHBondContact O-N 3.32Å |
| 279 | G | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 11.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y14 S262 A263 | Y14-G279 VanDerWaalsContact CB-O 3.31Å; Y14-G279 WeakPolarHBondContact CB-O 3.21Å; Y14-G279 WeakPolarHBondContact CD2-O 3.23Å; Y14-G279 PolarHBondContact N-O 2.97Å; Y14-G279 VanDerWaalsContact O-CA 3.24Å; Y14-G279 WeakPolarHBondContact O-CA 3.24Å; S262-G279 WeakPolarHBondContact O-CA 3.49Å; S262-G279 WeakPolarHBondContact OG-CA 3.17Å; S262-G279 PolarHBondContact OG-N 2.71Å; S262-G279 VanDerWaalsContact OG-N 3.12Å; A263-G279 PolarHBondContact O-N 2.71Å |
| 280 | G | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -87.5 | 167.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | A10 S262 Q277 | A10-G280 CarbonylContact O-C 3.57Å; A10-G280 WeakPolarHBondContact O-CA 3.35Å; S262-G280 PolarHBondContact N-O 2.55Å; S262-G280 PolarHBondContact OG-N 2.78Å; S262-G280 PolarHBondContact OG-O 3.27Å; Q277-G280 WeakPolarHBondContact O-CA 3.38Å; Q277-G280 PolarHBondContact O-N 2.72Å | ||
| 281 | V | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.7 | 169.5 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | V9 A10 Y14 L29 Y31 V260 T261 | V9-V281 HydrophobicContact CG2-CB 4.35Å; V9-V281 HydrophobicContact CG2-CG1 4.1Å; V9-V281 WeakPolarHBondContact CG2-O 3.35Å; V9-V281 PolarHBondContact N-O 3.21Å; A10-V281 HydrophobicContact CB-CB 4.19Å; A10-V281 HydrophobicContact CB-CG2 4.36Å; A10-V281 PolarHBondContact N-O 3.32Å; A10-V281 PolarHBondContact O-N 3.39Å; Y14-V281 HydrophobicContact CD2-CG2 4.26Å; Y14-V281 HydrophobicContact CE2-CG2 3.97Å; L29-V281 HydrophobicContact CD2-CG1 3.6Å; Y31-V281 HydrophobicContact CD2-CG2 4.32Å; Y31-V281 HydrophobicContact CE1-CG2 4.46Å; Y31-V281 HydrophobicContact CE2-CG2 4.06Å; V260-V281 WeakPolarHBondContact O-CA 3.29Å; T261-V281 HydrophobicContact CG2-CG2 4.34Å |
| 282 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.9 | -178 | -62.5 | -92.2 | 0 | 0 | 0 | 110.6 | I6 E7 C8 L240 P241 V242 Y259 V260 Q277 | I6-F282 HydrophobicContact CG2-CB 4.32Å; I6-F282 HydrophobicContact CG2-CD1 3.99Å; E7-F282 CarbonylContact O-C 3.57Å; E7-F282 VanDerWaalsContact O-CA 3.3Å; E7-F282 WeakPolarHBondContact O-CA 3.47Å; C8-F282 HydrophobicContact CB-CD1 3.94Å; C8-F282 HydrophobicContact CB-CE1 3.73Å; C8-F282 HydrophobicContact CB-CZ 4.41Å; L240-F282 HydrophobicContact CD2-CB 3.88Å; L240-F282 HydrophobicContact CD2-CD2 4.04Å; L240-F282 HydrophobicContact CD2-CG 3.94Å; P241-F282 HydrophobicContact CG-CD1 4.25Å; P241-F282 HydrophobicContact CG-CE1 3.52Å; P241-F282 HydrophobicContact CG-CZ 4.06Å; V242-F282 HydrophobicContact CB-CE2 4.42Å; V242-F282 HydrophobicContact CB-CZ 4.44Å; V242-F282 HydrophobicContact CG1-CE2 3.95Å; V242-F282 HydrophobicContact CG1-CZ 3.61Å; V242-F282 HydrophobicContact CG2-CD2 4.27Å; V242-F282 HydrophobicContact CG2-CE2 3.52Å; V242-F282 HydrophobicContact CG2-CZ 3.9Å; Y259-F282 CarbonylContact C-O 3.53Å; Y259-F282 VanDerWaalsContact CA-O 3.23Å; Y259-F282 WeakPolarHBondContact CA-O 3.47Å; V260-F282 HydrophobicContact CB-CB 4.43Å; V260-F282 PolarHBondContact N-O 2.64Å; V260-F282 PolarHBondContact O-N 3.26Å; Q277-F282 HydrophobicContact CB-CE1 4.21Å; Q277-F282 HydrophobicContact CB-CZ 3.74Å |
| 283 | K | 98.8 | Very high | 97.2 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.7 | 169.7 | -177.6 | -175.2 | 59.9 | 174.2 | 0 | 108.9 | I6 E7 V9 E257 M258 Y259 T285 | I6-K283 WeakPolarHBondContact CA-O 3.34Å; E7-K283 PolarHBondContact N-O 3.36Å; E7-K283 PolarHBondContact O-N 2.97Å; E7-K283 WeakPolarHBondContact OE2-CE 3.36Å; E7-K283 IonicContact OE2-NZ 3.44Å; E7-K283 PolarHBondContact OE2-NZ 2.78Å; E7-K283 VanDerWaalsContact OE2-NZ 3.1Å; V9-K283 HydrophobicContact CG1-CB 3.61Å; V9-K283 HydrophobicContact CG1-CD 4.36Å; V9-K283 HydrophobicContact CG2-CB 4.33Å; E257-K283 HydrophobicContact CB-CD 4.41Å; E257-K283 HydrophobicContact CB-CG 4.23Å; E257-K283 WeakPolarHBondContact OE2-CD 3.48Å; M258-K283 CarbonylContact O-C 3.59Å; M258-K283 VanDerWaalsContact O-CA 3.3Å; M258-K283 WeakPolarHBondContact O-CA 3.49Å; Y259-K283 HydrophobicContact CD1-CB 4.05Å; Y259-K283 HydrophobicContact CD1-CG 4.27Å; Y259-K283 HydrophobicContact CE1-CB 3.9Å; Y259-K283 HydrophobicContact CE1-CD 3.99Å; Y259-K283 HydrophobicContact CE1-CG 3.83Å; K283-T285 HydrophobicContact CD-CG2 4.4Å; K283-T285 HydrophobicContact CG-CG2 4.35Å |
| 284 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.5 | 177.7 | -48.3 | -179.5 | 0 | 0 | 0 | 108.4 | V4 K5 I6 V224 V238 L240 M258 V260 L287 | V4-I284 HydrophobicContact CG1-CG2 3.71Å; K5-I284 WeakPolarHBondContact O-CA 3.25Å; I6-I284 HydrophobicContact CG1-CG1 4.28Å; I6-I284 HydrophobicContact CG1-CG2 4.36Å; V224-I284 HydrophobicContact CG2-CD1 4.1Å; V238-I284 HydrophobicContact CG1-CD1 4.04Å; V238-I284 HydrophobicContact CG1-CG2 4.29Å; L240-I284 HydrophobicContact CD1-CD1 4.24Å; M258-I284 HydrophobicContact CB-CB 4.25Å; M258-I284 PolarHBondContact N-O 2.92Å; M258-I284 PolarHBondContact O-N 3.09Å; M258-I284 HydrophobicContact SD-CD1 4.26Å; V260-I284 HydrophobicContact CG2-CD1 3.65Å; V260-I284 HydrophobicContact CG2-CG1 4.23Å; I284-L287 HydrophobicContact CG2-CD1 4.36Å; I284-L287 HydrophobicContact CG2-CD2 3.76Å; I284-L287 HydrophobicContact CG2-CG 4.01Å |
| 285 | T | 98.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 23% | 0.233 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 159.4 | 177.6 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | V4 K5 E257 K283 | V4-T285 VanDerWaalsContact CA-O 3.31Å; V4-T285 WeakPolarHBondContact CA-O 3.29Å; K5-T285 PolarHBondContact N-O 3.12Å; K5-T285 PolarHBondContact O-N 3.1Å; K5-T285 PolarHBondContact O-OG1 3.11Å; E257-T285 HydrophobicContact CB-CG2 4.39Å; E257-T285 HydrophobicContact CG-CG2 4.05Å; K283-T285 HydrophobicContact CD-CG2 4.4Å; K283-T285 HydrophobicContact CG-CG2 4.35Å |
| 286 | G | 98.1 | Very high | 98.1 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 22% | 0.216 | 21% | 0.212 | C | C | . | . | trans | 78.7 | 23.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G288 | G286-G288 PolarHBondContact O-N 3.08Š| ||
| 287 | L | 98.2 | Very high | 98.3 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | trans | -70.2 | -18.4 | 174.9 | -67.2 | -179.9 | 0 | 0 | 0 | 113.3 | V4 W215 V238 F250 M258 I284 V289 | V4-L287 HydrophobicContact CG2-CD2 4.3Å; W215-L287 HydrophobicContact CH2-CD1 4.07Å; W215-L287 HydrophobicContact CH2-CD2 3.78Å; W215-L287 HydrophobicContact CH2-CG 4.38Å; W215-L287 HydrophobicContact CZ2-CD1 4.14Å; W215-L287 HydrophobicContact CZ2-CD2 4.48Å; W215-L287 HydrophobicContact CZ3-CD2 4.31Å; V238-L287 HydrophobicContact CG2-CD2 3.91Å; F250-L287 HydrophobicContact CE1-CD1 4.1Å; F250-L287 HydrophobicContact CZ-CD1 4.29Å; M258-L287 HydrophobicContact CB-CD1 3.7Å; M258-L287 HydrophobicContact CE-CD1 3.97Å; M258-L287 HydrophobicContact SD-CD1 4.11Å; I284-L287 HydrophobicContact CG2-CD1 4.36Å; I284-L287 HydrophobicContact CG2-CD2 3.76Å; I284-L287 HydrophobicContact CG2-CG 4.01Å; L287-V289 HydrophobicContact CB-CG1 4.38Å; L287-V289 PolarHBondContact O-N 2.92Å | ||
| 288 | G | 97.5 | Very high | 98.4 | Very high | 81 Ų | 81 | 28.1 Ų | 28.1 | 84% | 0.835 | 18% | 0.18 | S | C | * | . | S | Bend | trans | 77.5 | 1.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | G286 | G286-G288 PolarHBondContact O-N 3.08Š|
| 289 | V | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | trans | -133.2 | 159 | 176.1 | 70.4 | 0 | 0 | 0 | 0 | 109.9 | D209 E211 W215 F250 L287 | D209-V289 HydrophobicContact CB-CG1 4.27Å; D209-V289 HydrophobicContact CB-CG2 3.92Å; E211-V289 HydrophobicContact CB-CG2 4.48Å; E211-V289 HydrophobicContact CG-CG2 3.9Å; W215-V289 HydrophobicContact CZ2-CG1 4.06Å; F250-V289 HydrophobicContact CE1-CG1 4.49Å; F250-V289 HydrophobicContact CZ-CG1 4.18Å; L287-V289 HydrophobicContact CB-CG1 4.38Å; L287-V289 PolarHBondContact O-N 2.92Å | ||
| 290 | K | 98.8 | Very high | 98.4 | Very high | 90 Ų | 90 | 30.6 Ų | 30.6 | 39% | 0.391 | 20% | 0.2 | S | C | . | . | trans | -111.3 | 156.2 | 175.4 | -63.4 | 175.3 | 170.5 | -165.3 | 0 | 110.4 | D209 T210 D254 Y255 | D209-K290 WeakPolarHBondContact CB-O 3.49Å; T210-K290 WeakPolarHBondContact CB-O 3.44Å; T210-K290 HydrophobicContact CG2-CB 4.1Å; T210-K290 WeakPolarHBondContact CG2-O 3.4Å; T210-K290 PolarHBondContact N-O 3.08Å; T210-K290 PolarHBondContact OG1-O 2.79Å; D254-K290 HydrophobicContact CB-CD 4.43Å; D254-K290 WeakPolarHBondContact O-CD 3.39Å; D254-K290 IonicContact OD2-NZ 3.7Å; Y255-K290 CarbonylContact O-C 3.35Å; Y255-K290 VanDerWaalsContact O-CA 3.29Å; Y255-K290 WeakPolarHBondContact O-CA 3.35Å | ||
| 291 | G | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -93.2 | -166.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T210 F250 Y255 | T210-G291 VanDerWaalsContact CG2-O 3.24Å; T210-G291 WeakPolarHBondContact CG2-O 3.3Å; F250-G291 VanDerWaalsContact CD1-N 3.31Å; F250-G291 VanDerWaalsContact CG-N 3.34Å; Y255-G291 WeakPolarHBondContact CB-O 3.32Å; Y255-G291 PolarHBondContact O-N 3.05Å |
| 292 | I | 98.8 | Very high | 98.4 | Very high | 45 Ų | 45 | 33.9 Ų | 33.9 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | trans | -118.5 | 156.3 | 178.6 | 61.7 | 172.3 | 0 | 0 | 0 | 111 | L160 I208 T210 | L160-I292 HydrophobicContact CD2-CD1 4.03Å; L160-I292 HydrophobicContact CD2-CG2 4.1Å; I208-I292 HydrophobicContact CG2-CD1 3.8Å; I208-I292 HydrophobicContact CG2-CG1 4.23Å; T210-I292 HydrophobicContact CG2-CG2 3.86Å | ||
| 293 | P | 98.8 | Very high | 98.4 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -56.6 | 142.9 | 171.1 | -20.2 | 28.5 | 0 | 0 | 0 | 113 | Y255 | Y255-P293 HydrophobicContact CD2-CG 4.13Å; Y255-P293 VanDerWaalsContact CE1-CA 3.5Å; Y255-P293 HydrophobicContact CE1-CB 4.26Å; Y255-P293 HydrophobicContact CE2-CB 3.96Å; Y255-P293 HydrophobicContact CE2-CG 3.51Å; Y255-P293 WeakPolarHBondContact OH-CA 3.48Å; Y255-P293 WeakPolarHBondContact OH-CB 3.36Å |
| 294 | P | 98.8 | Very high | 98.4 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 29% | 0.286 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -67.4 | 144.7 | 169.3 | 30.1 | -34.2 | 0 | 0 | 0 | 110.3 | V21 W22 L63 | V21-P294 HydrophobicContact CG1-CB 4.05Å; V21-P294 HydrophobicContact CG1-CG 3.92Å; W22-P294 VanDerWaalsContact O-CG 3.31Å; W22-P294 WeakPolarHBondContact O-CG 3.34Å; L63-P294 HydrophobicContact CD1-CG 3.95Å |
| 295 | Y | 98.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 39 Ų | 39 | 29% | 0.29 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 136.7 | 170.9 | -63.4 | -79.3 | 0 | 0 | 0 | 110.3 | V107 D108 P109 H162 | V107-Y295 WeakPolarHBondContact CB-O 3.4Å; V107-Y295 WeakPolarHBondContact CG1-O 3.3Å; D108-Y295 VanDerWaalsContact O-CB 3.26Å; D108-Y295 WeakPolarHBondContact O-CB 3Å; P109-Y295 HydrophobicContact CB-CD1 4.44Å; P109-Y295 HydrophobicContact CB-CD2 4.3Å; P109-Y295 HydrophobicContact CB-CE1 3.94Å; P109-Y295 HydrophobicContact CB-CE2 3.81Å; P109-Y295 HydrophobicContact CG-CD2 4.26Å; P109-Y295 HydrophobicContact CG-CE2 3.7Å; H162-Y295 PolarHBondContact NE2-OH 3.27Å; H162-Y295 VanDerWaalsContact NE2-OH 3.1Å |
| 296 | P | 98.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 26% | 0.26 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 139 | 171.7 | 31.1 | -33.3 | 0 | 0 | 0 | 111.3 | L63 K65 A298 | L63-P296 HydrophobicContact CB-CB 3.99Å; L63-P296 CarbonylContact O-C 3.56Å; L63-P296 WeakPolarHBondContact O-CA 3.47Å; K65-P296 HydrophobicContact CD-CG 4.35Å; K65-P296 HydrophobicContact CG-CB 3.74Å; K65-P296 HydrophobicContact CG-CG 3.52Å; P296-A298 PolarHBondContact O-N 3.43Å |
| 297 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -58 | 133.6 | 173.7 | 175.6 | -118.4 | 0 | 0 | 0 | 110.2 | L63 R64 K65 V70 V107 G111 L137 L138 L141 G299 | L63-F297 PolarHBondContact O-N 3.18Å; R64-F297 HydrophobicContact CG-CD1 4.22Å; K65-F297 WeakPolarHBondContact CB-O 3.39Å; K65-F297 WeakPolarHBondContact CG-O 3.41Å; K65-F297 PolarHBondContact N-O 3.29Å; V70-F297 HydrophobicContact CB-CD1 4.2Å; V70-F297 HydrophobicContact CG1-CB 3.66Å; V70-F297 HydrophobicContact CG1-CD1 4.07Å; V70-F297 HydrophobicContact CG1-CG 4.03Å; V70-F297 HydrophobicContact CG2-CD1 4.3Å; V107-F297 HydrophobicContact CG2-CB 3.99Å; G111-F297 WeakPolarHBondContact O-CD2 3.46Å; L137-F297 HydrophobicContact CB-CE2 4.48Å; L137-F297 HydrophobicContact CD2-CE1 3.97Å; L137-F297 HydrophobicContact CD2-CE2 4.02Å; L137-F297 HydrophobicContact CD2-CZ 3.53Å; L137-F297 HydrophobicContact CG-CE2 4.06Å; L137-F297 HydrophobicContact CG-CZ 3.82Å; L138-F297 WeakPolarHBondContact O-CZ 3.45Å; L141-F297 HydrophobicContact CD2-CE1 4.17Å; L141-F297 HydrophobicContact CD2-CZ 4.09Å; F297-G299 WeakPolarHBondContact CD1-O 3.2Å; F297-G299 WeakPolarHBondContact CE1-O 3.38Å |
| 298 | A | 98.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 31% | 0.314 | 28% | 0.28 | S | S | . | . | trans | -88.3 | -18.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K65 G111 A139 P296 | K65-A298 HydrophobicContact CD-CB 4.12Å; G111-A298 WeakPolarHBondContact O-CB 3.44Å; G111-A298 PolarHBondContact O-N 3.44Å; A139-A298 HydrophobicContact CB-CB 4.02Å; P296-A298 PolarHBondContact O-N 3.43Å | ||
| 299 | G | 95.3 | Very high | 98.4 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | trans | -87 | 0 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R64 A139 F297 | R64-G299 WeakPolarHBondContact CG-O 3.5Å; R64-G299 PolarHBondContact NE-O 2.93Å; R64-G299 PolarHBondContact NH2-O 3.18Å; R64-G299 PolarHBondContact NH2-OXT 2.89Å; A139-G299 WeakPolarHBondContact O-CA 3.49Å; F297-G299 WeakPolarHBondContact CD1-O 3.2Å; F297-G299 WeakPolarHBondContact CE1-O 3.38Å |
Retrieved 299 of 299 residues in 261.2 ms
(Link to these results)