| 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 | 82.8 | Confident | 86.3 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 20% | 0.197 | 40% | 0.402 | C | S | . | . | 0 | 153.5 | 0 | -41.7 | -179.2 | -179.4 | 0 | 0 | 110.5 | I266 D286 L288 L310 W322 Q323 I324 | M1-I266 HydrophobicContact CE-CD1 3.37Å; M1-I266 HydrophobicContact CE-CG1 3.77Å; M1-I266 HydrophobicContact SD-CD1 4.2Å; M1-D286 PolarHBondContact N-OD2 3.37Å; M1-L288 HydrophobicContact CB-CD1 3.78Å; M1-L288 HydrophobicContact CG-CD1 3.8Å; M1-L288 HydrophobicContact SD-CD1 3.57Å; M1-L288 VanDerWaalsContact SD-CD1 3.57Å; M1-L310 HydrophobicContact SD-CD2 4.25Å; M1-W322 HydrophobicContact CB-CB 4.38Å; M1-W322 HydrophobicContact CB-CE3 4.47Å; M1-Q323 CarbonylContact C-O 3.55Å; M1-I324 HydrophobicContact CB-CG1 4.18Å; M1-I324 HydrophobicContact CE-CD1 4.29Å; M1-I324 HydrophobicContact CE-CG1 4.46Å; M1-I324 HydrophobicContact CG-CG1 3.84Å; M1-I324 HydrophobicContact SD-CD1 4.09Å; M1-I324 HydrophobicContact SD-CG1 3.92Å | |||
| 2 | K | 85.9 | Confident | 86.7 | Confident | 123 Ų | 123 | 62.4 Ų | 62.4 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.5 | 179.5 | -70.9 | 170.8 | 179.3 | 154.8 | 0 | 111.1 | A4 W322 Q323 D325 | K2-A4 PolarHBondContact O-N 2.66Å; K2-W322 CarbonylContact O-C 3.57Å; K2-W322 WeakPolarHBondContact O-CA 3.43Å; K2-Q323 PolarHBondContact N-O 2.97Å; K2-Q323 PolarHBondContact O-N 2.86Å; K2-D325 VanDerWaalsContact CE-OD2 3.25Å; K2-D325 WeakPolarHBondContact CE-OD2 3.5Å; K2-D325 IonicContact NZ-OD2 2.87Å; K2-D325 PolarHBondContact NZ-OD2 3.34Å |
| 3 | Y | 86.2 | Confident | 87.1 | Confident | 116 Ų | 116 | 61.8 Ų | 61.8 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.3 | 175.3 | 180 | -96.1 | 0 | 0 | 0 | 110.3 | F5 G6 F290 W322 | Y3-F5 WeakPolarHBondContact CE2-O 3.25Å; Y3-G6 WeakPolarHBondContact OH-CA 3.34Å; Y3-G6 PolarHBondContact OH-N 3.34Å; Y3-F290 HydrophobicContact CD2-CE2 4.17Å; Y3-F290 HydrophobicContact CD2-CZ 4.48Å; Y3-F290 AromaticContact CE2-CE2 3.86Å; Y3-F290 HydrophobicContact CE2-CE2 3.86Å; Y3-F290 AromaticContact CE2-CZ 3.79Å; Y3-F290 HydrophobicContact CE2-CZ 3.79Å; Y3-W322 AromaticContact CD2-CH2 3.96Å; Y3-W322 HydrophobicContact CD2-CH2 3.96Å; Y3-W322 HydrophobicContact CD2-CZ2 4.04Å; Y3-W322 HydrophobicContact CD2-CZ3 4.25Å; Y3-W322 HydrophobicContact CG-CZ3 4.5Å |
| 4 | A | 82 | Confident | 87.6 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -57.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K2 C321 | K2-A4 PolarHBondContact O-N 2.66Å; A4-C321 HydrophobicContact CB-CB 4.29Å; A4-C321 PolarHBondContact N-O 3.23Å |
| 5 | F | 87.6 | Confident | 88 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 174.3 | 179.1 | 64.6 | -96.5 | 0 | 0 | 0 | 111.6 | Y3 I7 Y42 L45 L311 C321 | Y3-F5 WeakPolarHBondContact CE2-O 3.25Å; F5-I7 HydrophobicContact CD2-CG1 4.29Å; F5-I7 HydrophobicContact CE2-CD1 4.17Å; F5-I7 HydrophobicContact CE2-CG1 4.28Å; F5-Y42 AromaticContact CE1-CE2 3.91Å; F5-Y42 HydrophobicContact CE1-CE2 3.91Å; F5-Y42 HydrophobicContact CZ-CD2 4.45Å; F5-Y42 AromaticContact CZ-CE2 3.86Å; F5-Y42 HydrophobicContact CZ-CE2 3.86Å; F5-L45 HydrophobicContact CB-CD1 4.04Å; F5-L45 HydrophobicContact CD1-CD1 4.43Å; F5-L45 HydrophobicContact CD2-CD1 3.46Å; F5-L45 VanDerWaalsContact CD2-CD1 3.46Å; F5-L45 HydrophobicContact CD2-CD2 4.04Å; F5-L45 HydrophobicContact CD2-CG 4.41Å; F5-L45 HydrophobicContact CE1-CD2 4.45Å; F5-L45 HydrophobicContact CE2-CD1 3.97Å; F5-L45 HydrophobicContact CE2-CD2 3.64Å; F5-L45 HydrophobicContact CE2-CG 4.48Å; F5-L45 HydrophobicContact CG-CD1 3.73Å; F5-L45 HydrophobicContact CZ-CD2 3.86Å; F5-L311 HydrophobicContact CZ-CD2 4.28Å; F5-C321 HydrophobicContact CD1-CB 3.65Å; F5-C321 HydrophobicContact CD2-CB 3.91Å; F5-C321 HydrophobicContact CE1-CB 3.38Å; F5-C321 WeakPolarHBondContact CE1-SG 3.25Å; F5-C321 HydrophobicContact CE2-CB 3.65Å; F5-C321 HydrophobicContact CG-CB 3.91Å; F5-C321 HydrophobicContact CZ-CB 3.37Å; F5-C321 PolarHBondContact O-N 3.41Å |
| 6 | G | 88.7 | Confident | 88.4 | Confident | 30 Ų | 30 | 51 Ų | 51 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 155.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y3 I319 | Y3-G6 WeakPolarHBondContact OH-CA 3.34Å; Y3-G6 PolarHBondContact OH-N 3.34Å; G6-I319 CarbonylContact C-O 3.6Å; G6-I319 WeakPolarHBondContact CA-O 3.08Å |
| 7 | I | 90.6 | Very high | 88.8 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.8 | -179 | -53.6 | 172.3 | 0 | 0 | 0 | 108 | F5 F14 L28 R40 L45 V318 I319 | F5-I7 HydrophobicContact CD2-CG1 4.29Å; F5-I7 HydrophobicContact CE2-CD1 4.17Å; F5-I7 HydrophobicContact CE2-CG1 4.28Å; I7-F14 HydrophobicContact CG2-CE2 4.44Å; I7-F14 HydrophobicContact CG2-CZ 4.09Å; I7-L28 HydrophobicContact CD1-CD2 3.54Å; I7-R40 VanDerWaalsContact CG2-CZ 3.42Å; I7-L45 HydrophobicContact CD1-CD2 4.19Å; I7-V318 CarbonylContact O-C 3.59Å; I7-V318 WeakPolarHBondContact O-CA 3.39Å; I7-I319 HydrophobicContact CB-CB 4.32Å; I7-I319 PolarHBondContact N-O 2.96Å; I7-I319 PolarHBondContact O-N 2.99Å |
| 8 | T | 90.7 | Very high | 89.1 | Confident | 101 Ų | 101 | 46.4 Ų | 46.4 | 62% | 0.62 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 143.2 | 177.9 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | G317 V318 | T8-G317 CarbonylContact C-O 3.54Å; T8-G317 WeakPolarHBondContact CA-O 3.21Å; T8-V318 HydrophobicContact CG2-CG2 4.4Å |
| 9 | A | 84.8 | Confident | 89.2 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | trans | -85.8 | -4.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T11 S12 F14 G317 | A9-T11 PolarHBondContact O-N 2.76Å; A9-S12 VanDerWaalsContact CB-O 3.26Å; A9-S12 WeakPolarHBondContact CB-O 3.3Å; A9-F14 HydrophobicContact CB-CD1 4.43Å; A9-F14 HydrophobicContact CB-CD2 3.77Å; A9-F14 HydrophobicContact CB-CE1 4.16Å; A9-F14 HydrophobicContact CB-CE2 3.48Å; A9-F14 VanDerWaalsContact CB-CE2 3.48Å; A9-F14 HydrophobicContact CB-CG 4.27Å; A9-F14 HydrophobicContact CB-CZ 3.69Å; A9-G317 WeakPolarHBondContact CB-O 3.46Å; A9-G317 PolarHBondContact N-O 3.02Å | ||
| 10 | G | 85.5 | Confident | 89.2 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 69% | 0.691 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -117.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 11 | T | 84.5 | Confident | 89.2 | Confident | 155 Ų | 155 | 46.5 Ų | 46.5 | 95% | 0.951 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.3 | -176.5 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | A9 | A9-T11 PolarHBondContact O-N 2.76Š|
| 12 | S | 91 | Very high | 89.5 | Confident | 18 Ų | 18 | 45 Ų | 45 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -105.5 | -170.4 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | A9 N34 | A9-S12 VanDerWaalsContact CB-O 3.26Å; A9-S12 WeakPolarHBondContact CB-O 3.3Å; S12-N34 PolarHBondContact OG-OD1 3.46Å |
| 13 | Y | 92.4 | Very high | 89.6 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | trans | -140.4 | 156.1 | 168.6 | 63.4 | -96.4 | 0 | 0 | 0 | 111.9 | T15 K32 K33 T296 | Y13-T15 HydrophobicContact CD2-CG2 3.84Å; Y13-T15 HydrophobicContact CE2-CG2 3.54Å; Y13-K32 CarbonylContact O-C 3.51Å; Y13-K32 VanDerWaalsContact O-CA 3.28Å; Y13-K32 WeakPolarHBondContact O-CA 2.91Å; Y13-K33 HydrophobicContact CD1-CB 4.2Å; Y13-K33 HydrophobicContact CD1-CD 4.32Å; Y13-K33 HydrophobicContact CD2-CB 4.3Å; Y13-K33 HydrophobicContact CE1-CB 3.9Å; Y13-K33 HydrophobicContact CE1-CD 3.45Å; Y13-K33 VanDerWaalsContact CE1-CD 3.45Å; Y13-K33 HydrophobicContact CE1-CG 3.81Å; Y13-K33 HydrophobicContact CE2-CB 3.98Å; Y13-K33 HydrophobicContact CE2-CG 4.14Å; Y13-K33 HydrophobicContact CG-CB 4.4Å; Y13-K33 PolarHBondContact O-N 2.75Å; Y13-K33 WeakPolarHBondContact OH-CE 3.27Å; Y13-K33 WeakPolarHBondContact OH-CG 3.45Å; Y13-T296 HydrophobicContact CE2-CG2 4.39Å | ||
| 14 | F | 93.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 138.2 | -179.8 | -59.2 | -71.7 | 0 | 0 | 0 | 111.1 | I7 A9 A30 G31 K32 T296 C313 I319 | I7-F14 HydrophobicContact CG2-CE2 4.44Å; I7-F14 HydrophobicContact CG2-CZ 4.09Å; A9-F14 HydrophobicContact CB-CD1 4.43Å; A9-F14 HydrophobicContact CB-CD2 3.77Å; A9-F14 HydrophobicContact CB-CE1 4.16Å; A9-F14 HydrophobicContact CB-CE2 3.48Å; A9-F14 VanDerWaalsContact CB-CE2 3.48Å; A9-F14 HydrophobicContact CB-CG 4.27Å; A9-F14 HydrophobicContact CB-CZ 3.69Å; F14-A30 HydrophobicContact CD1-CB 3.67Å; F14-A30 HydrophobicContact CE1-CB 3.71Å; F14-G31 CarbonylContact C-O 3.42Å; F14-G31 WeakPolarHBondContact CA-O 3.02Å; F14-K32 HydrophobicContact CD1-CG 3.88Å; F14-K32 HydrophobicContact CE1-CD 4.45Å; F14-K32 HydrophobicContact CE1-CG 4.1Å; F14-T296 PolarHBondContact O-OG1 3.29Å; F14-C313 HydrophobicContact CB-CB 4.05Å; F14-I319 HydrophobicContact CB-CD1 4.11Å; F14-I319 HydrophobicContact CB-CG1 3.98Å; F14-I319 HydrophobicContact CD1-CD1 3.64Å; F14-I319 HydrophobicContact CD1-CG1 4.32Å; F14-I319 HydrophobicContact CD2-CB 4.34Å; F14-I319 HydrophobicContact CD2-CD1 3.59Å; F14-I319 HydrophobicContact CD2-CG1 3.42Å; F14-I319 VanDerWaalsContact CD2-CG1 3.42Å; F14-I319 HydrophobicContact CE1-CD1 3.82Å; F14-I319 HydrophobicContact CE2-CB 4.45Å; F14-I319 HydrophobicContact CE2-CD1 3.73Å; F14-I319 HydrophobicContact CE2-CG1 3.85Å; F14-I319 HydrophobicContact CG-CD1 3.5Å; F14-I319 HydrophobicContact CG-CG1 3.66Å; F14-I319 HydrophobicContact CZ-CD1 3.85Å; F14-I319 HydrophobicContact CZ-CG1 4.47Å |
| 15 | T | 93.8 | Very high | 89.7 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | -23.2 | -176 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | Y13 G31 K32 K33 Q58 V59 | Y13-T15 HydrophobicContact CD2-CG2 3.84Å; Y13-T15 HydrophobicContact CE2-CG2 3.54Å; T15-G31 PolarHBondContact N-O 3.2Å; T15-G31 PolarHBondContact OG1-O 2.95Å; T15-K32 PolarHBondContact OG1-O 2.7Å; T15-K33 HydrophobicContact CG2-CB 4.13Å; T15-Q58 HydrophobicContact CG2-CG 3.97Å; T15-V59 VanDerWaalsContact CB-O 3.26Å; T15-V59 WeakPolarHBondContact CB-O 3.38Å; T15-V59 PolarHBondContact OG1-O 3.21Å |
| 16 | A | 94 | Very high | 89.9 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 152 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | G31 V59 | A16-G31 PolarHBondContact N-O 2.83Å; A16-G31 PolarHBondContact O-N 2.8Å; A16-V59 HydrophobicContact CB-CG1 4.19Å |
| 17 | V | 94.6 | Very high | 90 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156.8 | 172.4 | 70.1 | 0 | 0 | 0 | 0 | 109.2 | L28 L29 C297 Q299 L311 C313 | V17-L28 HydrophobicContact CG2-CD1 3.28Å; V17-L28 HydrophobicContact CG2-CG 4.16Å; V17-L29 CarbonylContact C-O 3.56Å; V17-L29 VanDerWaalsContact CA-O 3.25Å; V17-L29 WeakPolarHBondContact CA-O 3.4Å; V17-L29 WeakPolarHBondContact CG2-O 3.22Å; V17-C297 HydrophobicContact CG1-CB 4.41Å; V17-Q299 HydrophobicContact CG1-CB 4.34Å; V17-Q299 PolarHBondContact O-OE1 2.83Å; V17-L311 HydrophobicContact CG1-CB 4.14Å; V17-L311 HydrophobicContact CG1-CD1 4.35Å; V17-L311 HydrophobicContact CG2-CD1 3.63Å; V17-C313 VanDerWaalsContact CB-SG 3.51Å; V17-C313 VanDerWaalsContact CG1-SG 3.6Å |
| 18 | S | 93.9 | Very high | 90.2 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 145.7 | 173.1 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | L29 C62 | S18-L29 PolarHBondContact N-O 3.19Å; S18-L29 PolarHBondContact O-N 2.87Å; S18-C62 WeakPolarHBondContact CB-O 3.45Å |
| 19 | F | 91.5 | Very high | 90.4 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 144 | 168.1 | -73.4 | -80 | 0 | 0 | 0 | 110.1 | L28 Y42 A301 P302 L305 L311 | F19-L28 HydrophobicContact CD1-CD1 4.29Å; F19-L28 HydrophobicContact CE1-CD1 4.23Å; F19-Y42 HydrophobicContact CD1-CD2 4.36Å; F19-Y42 AromaticContact CE1-CD2 3.65Å; F19-Y42 HydrophobicContact CE1-CD2 3.65Å; F19-Y42 AromaticContact CE1-CE2 3.69Å; F19-Y42 HydrophobicContact CE1-CE2 3.69Å; F19-Y42 HydrophobicContact CE1-CG 4.45Å; F19-Y42 HydrophobicContact CZ-CE2 4.35Å; F19-A301 HydrophobicContact CD1-CB 4.48Å; F19-A301 HydrophobicContact CD2-CB 3.8Å; F19-A301 HydrophobicContact CE1-CB 4.1Å; F19-A301 VanDerWaalsContact CE2-CA 3.49Å; F19-A301 HydrophobicContact CE2-CB 3.31Å; F19-A301 HydrophobicContact CG-CB 4.31Å; F19-A301 HydrophobicContact CZ-CB 3.45Å; F19-A301 VanDerWaalsContact CZ-CB 3.45Å; F19-P302 HydrophobicContact CB-CG 4.19Å; F19-L305 HydrophobicContact CB-CD1 4.38Å; F19-L305 HydrophobicContact CD1-CD1 3.56Å; F19-L305 HydrophobicContact CE1-CD1 3.89Å; F19-L305 HydrophobicContact CG-CD1 4.08Å; F19-L311 HydrophobicContact CD2-CD1 3.97Å; F19-L311 HydrophobicContact CE1-CD1 3.81Å; F19-L311 HydrophobicContact CE1-CG 4.38Å; F19-L311 HydrophobicContact CE2-CB 4.23Å; F19-L311 HydrophobicContact CE2-CD1 3.16Å; F19-L311 HydrophobicContact CE2-CG 3.39Å; F19-L311 HydrophobicContact CZ-CD1 3.09Å; F19-L311 HydrophobicContact CZ-CD2 4.02Å; F19-L311 HydrophobicContact CZ-CG 3.3Å |
| 20 | G | 90.3 | Very high | 90.9 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | -162.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C27 F64 | G20-C27 PolarHBondContact N-O 3.04Å; G20-C27 VanDerWaalsContact N-O 3.08Å; G20-C27 PolarHBondContact O-N 2.99Å; G20-F64 VanDerWaalsContact CA-CD2 3.44Å |
| 21 | K | 88.9 | Confident | 91.4 | Very high | 104 Ų | 104 | 38.9 Ų | 38.9 | 45% | 0.452 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.7 | 178 | -66.1 | -177.9 | 179.8 | -178.5 | 0 | 110.3 | R25 | K21-R25 CarbonylContact C-O 3.59Å; K21-R25 WeakPolarHBondContact CA-O 3.37Å |
| 22 | L | 88.7 | Confident | 91.9 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 119.4 | 167.7 | -71.5 | 169.9 | 0 | 0 | 0 | 107.8 | D24 R25 V39 F64 V69 I83 | L22-D24 VanDerWaalsContact C-N 3.28Å; L22-D24 PolarHBondContact O-N 2.74Å; L22-R25 PolarHBondContact N-O 2.84Å; L22-R25 VanDerWaalsContact O-CB 3.26Å; L22-R25 WeakPolarHBondContact O-CB 3.45Å; L22-R25 PolarHBondContact O-N 3.25Å; L22-V39 HydrophobicContact CD1-CG1 3.61Å; L22-V39 HydrophobicContact CD1-CG2 4.42Å; L22-F64 HydrophobicContact CD1-CD1 4.23Å; L22-F64 HydrophobicContact CD1-CE1 3.71Å; L22-F64 HydrophobicContact CD2-CD1 4.03Å; L22-F64 HydrophobicContact CD2-CE1 4.36Å; L22-F64 HydrophobicContact CG-CD1 3.8Å; L22-F64 HydrophobicContact CG-CE1 3.69Å; L22-V69 HydrophobicContact CD1-CG1 4.32Å; L22-V69 HydrophobicContact CD2-CG1 4.47Å; L22-I83 HydrophobicContact CD1-CG1 4.3Å; L22-I83 HydrophobicContact CD1-CG2 4.41Å; L22-I83 HydrophobicContact CD2-CB 4.15Å; L22-I83 HydrophobicContact CD2-CG1 4.22Å |
| 23 | H | 87.6 | Confident | 92 | Very high | 86 Ų | 86 | 36.4 Ų | 36.4 | 40% | 0.398 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 51.4 | 179.8 | -50.3 | -60 | 0 | 0 | 0 | 112.1 | R25 I83 L84 | H23-R25 PolarHBondContact O-N 2.83Å; H23-I83 PolarHBondContact CE1-O 2.83Å; H23-I83 VanDerWaalsContact CE1-O 3.25Å; H23-I83 PolarHBondContact NE2-O 3.34Å; H23-L84 VanDerWaalsContact NE2-C 3.27Å; H23-L84 PolarHBondContact NE2-O 2.73Å |
| 24 | D | 83.6 | Confident | 92 | Very high | 152 Ų | 152 | 35.1 Ų | 35.1 | 81% | 0.813 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | -1 | -176 | -59.7 | -48.3 | 0 | 0 | 0 | 117.1 | L22 | L22-D24 VanDerWaalsContact C-N 3.28Å; L22-D24 PolarHBondContact O-N 2.74Å |
| 25 | R | 87.5 | Confident | 91.9 | Very high | 128 Ų | 128 | 35.1 Ų | 35.1 | 48% | 0.483 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.5 | 173.4 | -56.1 | -179.7 | -176.7 | -178.7 | 2.9 | 109.6 | K21 L22 H23 C27 | K21-R25 CarbonylContact C-O 3.59Å; K21-R25 WeakPolarHBondContact CA-O 3.37Å; L22-R25 PolarHBondContact N-O 2.84Å; L22-R25 VanDerWaalsContact O-CB 3.26Å; L22-R25 WeakPolarHBondContact O-CB 3.45Å; L22-R25 PolarHBondContact O-N 3.25Å; H23-R25 PolarHBondContact O-N 2.83Å; R25-C27 PolarHBondContact O-N 2.83Å; R25-C27 PolarHBondContact O-SG 3.09Å; R25-C27 VanDerWaalsContact O-SG 3.35Å |
| 26 | Q | 90.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 17% | 0.173 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 120.7 | 169.3 | -67.8 | 167.7 | -22.4 | 0 | 0 | 108.8 | Y42 L305 | Q26-Y42 WeakPolarHBondContact O-CB 3.35Å; Q26-Y42 PolarHBondContact O-N 2.94Å; Q26-L305 HydrophobicContact CB-CD2 3.9Å; Q26-L305 HydrophobicContact CG-CD2 3.52Å; Q26-L305 VanDerWaalsContact NE2-CD2 3.28Å |
| 27 | C | 92.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.3 | -172 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | G20 R25 V39 R40 F64 | G20-C27 PolarHBondContact N-O 3.04Å; G20-C27 VanDerWaalsContact N-O 3.08Å; G20-C27 PolarHBondContact O-N 2.99Å; R25-C27 PolarHBondContact O-N 2.83Å; R25-C27 PolarHBondContact O-SG 3.09Å; R25-C27 VanDerWaalsContact O-SG 3.35Å; C27-V39 HydrophobicContact CB-CG1 4.1Å; C27-R40 CarbonylContact C-O 3.54Å; C27-R40 VanDerWaalsContact CA-O 3.28Å; C27-R40 WeakPolarHBondContact CA-O 3.26Å; C27-F64 HydrophobicContact CB-CE1 3.79Å; C27-F64 HydrophobicContact CB-CZ 3.64Å |
| 28 | L | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.5 | 168.8 | 178.3 | 63.1 | 0 | 0 | 0 | 107.7 | I7 V17 F19 V39 R40 L311 | I7-L28 HydrophobicContact CD1-CD2 3.54Å; V17-L28 HydrophobicContact CG2-CD1 3.28Å; V17-L28 HydrophobicContact CG2-CG 4.16Å; F19-L28 HydrophobicContact CD1-CD1 4.29Å; F19-L28 HydrophobicContact CE1-CD1 4.23Å; L28-V39 CarbonylContact O-C 3.58Å; L28-V39 WeakPolarHBondContact O-CA 3.16Å; L28-R40 HydrophobicContact CB-CB 4.49Å; L28-R40 PolarHBondContact N-O 3.45Å; L28-R40 PolarHBondContact O-N 2.85Å; L28-L311 HydrophobicContact CD1-CD1 3.26Å; L28-L311 HydrophobicContact CD2-CD1 4.41Å; L28-L311 HydrophobicContact CG-CD1 4.46Å |
| 29 | L | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.8 | 171 | 175 | 65.1 | 0 | 0 | 0 | 108.3 | V17 S18 L37 E38 V39 C62 G63 F64 V69 | V17-L29 CarbonylContact C-O 3.56Å; V17-L29 VanDerWaalsContact CA-O 3.25Å; V17-L29 WeakPolarHBondContact CA-O 3.4Å; V17-L29 WeakPolarHBondContact CG2-O 3.22Å; S18-L29 PolarHBondContact N-O 3.19Å; S18-L29 PolarHBondContact O-N 2.87Å; L29-L37 HydrophobicContact CD1-CB 4.06Å; L29-L37 HydrophobicContact CD1-CD2 4.24Å; L29-E38 WeakPolarHBondContact CA-O 3.28Å; L29-V39 HydrophobicContact CD1-CG2 3.74Å; L29-C62 HydrophobicContact CD2-CB 3.74Å; L29-C62 HydrophobicContact CG-CB 4.27Å; L29-G63 WeakPolarHBondContact CD2-O 3.43Å; L29-F64 HydrophobicContact CB-CD2 4.32Å; L29-F64 HydrophobicContact CB-CE1 4.39Å; L29-F64 HydrophobicContact CB-CE2 3.41Å; L29-F64 VanDerWaalsContact CB-CE2 3.41Å; L29-F64 HydrophobicContact CB-CZ 3.46Å; L29-F64 VanDerWaalsContact CB-CZ 3.46Å; L29-V69 HydrophobicContact CD1-CG1 4.47Å; L29-V69 HydrophobicContact CD2-CB 3.99Å; L29-V69 HydrophobicContact CD2-CG1 4.08Å |
| 30 | A | 95.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F14 L37 E38 I319 | F14-A30 HydrophobicContact CD1-CB 3.67Å; F14-A30 HydrophobicContact CE1-CB 3.71Å; A30-L37 CarbonylContact O-C 3.56Å; A30-L37 WeakPolarHBondContact O-CA 3.46Å; A30-E38 PolarHBondContact N-O 3.27Å; A30-E38 PolarHBondContact O-N 3Å; A30-I319 HydrophobicContact CB-CD1 3.65Å |
| 31 | G | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 144 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F14 T15 A16 E36 | F14-G31 CarbonylContact C-O 3.42Å; F14-G31 WeakPolarHBondContact CA-O 3.02Å; T15-G31 PolarHBondContact N-O 3.2Å; T15-G31 PolarHBondContact OG1-O 2.95Å; A16-G31 PolarHBondContact N-O 2.83Å; A16-G31 PolarHBondContact O-N 2.8Å; G31-E36 CarbonylContact C-O 3.55Å |
| 32 | K | 94.9 | Very high | 92 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 165.8 | -178.5 | -58.1 | -173.6 | -157.8 | 164.7 | 0 | 112.5 | Y13 F14 T15 N34 G35 E36 V59 | Y13-K32 CarbonylContact O-C 3.51Å; Y13-K32 VanDerWaalsContact O-CA 3.28Å; Y13-K32 WeakPolarHBondContact O-CA 2.91Å; F14-K32 HydrophobicContact CD1-CG 3.88Å; F14-K32 HydrophobicContact CE1-CD 4.45Å; F14-K32 HydrophobicContact CE1-CG 4.1Å; T15-K32 PolarHBondContact OG1-O 2.7Å; K32-N34 WeakPolarHBondContact CB-OD1 3.26Å; K32-N34 PolarHBondContact O-N 3.31Å; K32-G35 PolarHBondContact O-N 2.92Å; K32-E36 HydrophobicContact CB-CB 4.31Å; K32-E36 HydrophobicContact CD-CB 4.01Å; K32-E36 HydrophobicContact CG-CB 4.35Å; K32-E36 PolarHBondContact N-O 3.28Å; K32-E36 IonicContact NZ-OE2 3.27Å; K32-E36 PolarHBondContact NZ-OE2 2.95Å; K32-V59 WeakPolarHBondContact O-CG2 3.42Å; K32-V59 PolarHBondContact O-N 2.77Å; K32-V59 VanDerWaalsContact O-N 3.14Å |
| 33 | K | 93.1 | Very high | 91.8 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 44% | 0.443 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.3 | 173.4 | -163.5 | -145 | -169.3 | -178.9 | 0 | 113.3 | Y13 T15 Q58 | Y13-K33 HydrophobicContact CD1-CB 4.2Å; Y13-K33 HydrophobicContact CD1-CD 4.32Å; Y13-K33 HydrophobicContact CD2-CB 4.3Å; Y13-K33 HydrophobicContact CE1-CB 3.9Å; Y13-K33 HydrophobicContact CE1-CD 3.45Å; Y13-K33 VanDerWaalsContact CE1-CD 3.45Å; Y13-K33 HydrophobicContact CE1-CG 3.81Å; Y13-K33 HydrophobicContact CE2-CB 3.98Å; Y13-K33 HydrophobicContact CE2-CG 4.14Å; Y13-K33 HydrophobicContact CG-CB 4.4Å; Y13-K33 PolarHBondContact O-N 2.75Å; Y13-K33 WeakPolarHBondContact OH-CE 3.27Å; Y13-K33 WeakPolarHBondContact OH-CG 3.45Å; T15-K33 HydrophobicContact CG2-CB 4.13Å; K33-Q58 HydrophobicContact CG-CB 4.46Å; K33-Q58 HydrophobicContact CG-CG 4.46Å; K33-Q58 WeakPolarHBondContact O-CA 3.12Å; K33-Q58 WeakPolarHBondContact O-CB 3.24Å; K33-Q58 PolarHBondContact O-N 2.82Å |
| 34 | N | 91.7 | Very high | 91.8 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 23.2 | -172.5 | 68 | -26.9 | 0 | 0 | 0 | 114.6 | S12 K32 E36 D56 | S12-N34 PolarHBondContact OG-OD1 3.46Å; K32-N34 WeakPolarHBondContact CB-OD1 3.26Å; K32-N34 PolarHBondContact O-N 3.31Å; N34-E36 PolarHBondContact ND2-OE1 2.81Å; N34-E36 PolarHBondContact O-N 2.88Å; N34-D56 WeakPolarHBondContact CA-OD1 3.24Å; N34-D56 WeakPolarHBondContact CB-OD1 3.09Å |
| 35 | G | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 75.3 | 0.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K32 E53 C57 | K32-G35 PolarHBondContact O-N 2.92Å; G35-E53 PolarHBondContact O-N 3.14Å; G35-C57 WeakPolarHBondContact CA-O 3.41Å; G35-C57 PolarHBondContact N-O 2.97Å |
| 36 | E | 94 | Very high | 92.1 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 17% | 0.173 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 138.8 | 175.8 | -72.7 | 171.2 | -161.8 | 0 | 0 | 111.7 | G31 K32 N34 L51 K52 | G31-E36 CarbonylContact C-O 3.55Å; K32-E36 HydrophobicContact CB-CB 4.31Å; K32-E36 HydrophobicContact CD-CB 4.01Å; K32-E36 HydrophobicContact CG-CB 4.35Å; K32-E36 PolarHBondContact N-O 3.28Å; K32-E36 IonicContact NZ-OE2 3.27Å; K32-E36 PolarHBondContact NZ-OE2 2.95Å; N34-E36 PolarHBondContact ND2-OE1 2.81Å; N34-E36 PolarHBondContact O-N 2.88Å; E36-L51 CarbonylContact C-O 3.58Å; E36-L51 WeakPolarHBondContact CA-O 3.23Å; E36-K52 HydrophobicContact CG-CB 4.15Å; E36-K52 HydrophobicContact CG-CD 3.59Å; E36-K52 HydrophobicContact CG-CG 3.63Å; E36-K52 IonicContact OE1-NZ 2.71Å; E36-K52 PolarHBondContact OE1-NZ 3.4Å |
| 37 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.5 | 169.3 | -65 | 158.9 | 0 | 0 | 0 | 107.8 | L29 A30 C50 L51 V59 C62 A71 F73 W81 | L29-L37 HydrophobicContact CD1-CB 4.06Å; L29-L37 HydrophobicContact CD1-CD2 4.24Å; A30-L37 CarbonylContact O-C 3.56Å; A30-L37 WeakPolarHBondContact O-CA 3.46Å; L37-C50 WeakPolarHBondContact O-CA 3.5Å; L37-L51 HydrophobicContact CB-CB 4.16Å; L37-L51 HydrophobicContact CD1-CB 4.38Å; L37-L51 HydrophobicContact CD1-CD1 4.43Å; L37-L51 PolarHBondContact N-O 3.47Å; L37-L51 PolarHBondContact O-N 2.9Å; L37-V59 HydrophobicContact CD2-CG1 3.99Å; L37-V59 HydrophobicContact CD2-CG2 3.95Å; L37-V59 HydrophobicContact CG-CG2 4.29Å; L37-C62 HydrophobicContact CD2-CB 3.74Å; L37-A71 HydrophobicContact CD1-CB 3.48Å; L37-A71 VanDerWaalsContact CD1-CB 3.48Å; L37-A71 HydrophobicContact CD2-CB 3.68Å; L37-A71 HydrophobicContact CG-CB 4.11Å; L37-F73 HydrophobicContact CD1-CZ 4.23Å; L37-W81 HydrophobicContact CD1-CE3 4.22Å; L37-W81 HydrophobicContact CD1-CH2 3.81Å; L37-W81 HydrophobicContact CD1-CZ3 3.62Å |
| 38 | E | 94.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.6 | 176.8 | -163.5 | -178.1 | -175.8 | 0 | 0 | 110 | L29 A30 R40 S47 | L29-E38 WeakPolarHBondContact CA-O 3.28Å; A30-E38 PolarHBondContact N-O 3.27Å; A30-E38 PolarHBondContact O-N 3Å; E38-R40 VanDerWaalsContact CD-NH2 3.32Å; E38-R40 HydrophobicContact CG-CG 4.07Å; E38-R40 IonicContact OE1-CZ 3.72Å; E38-R40 VanDerWaalsContact OE1-CZ 3.27Å; E38-R40 IonicContact OE1-NE 2.88Å; E38-R40 PolarHBondContact OE1-NE 2.88Å; E38-R40 IonicContact OE1-NH2 3.46Å; E38-R40 PolarHBondContact OE1-NH2 2.91Å; E38-R40 IonicContact OE2-CZ 2.83Å; E38-R40 IonicContact OE2-NE 2.7Å; E38-R40 PolarHBondContact OE2-NE 2.79Å; E38-R40 IonicContact OE2-NH2 2.87Å; E38-R40 PolarHBondContact OE2-NH2 2.88Å; E38-S47 WeakPolarHBondContact CG-OG 3.28Å; E38-S47 VanDerWaalsContact OE1-CB 3.27Å; E38-S47 WeakPolarHBondContact OE1-CB 3.5Å; E38-S47 PolarHBondContact OE1-OG 2.78Å |
| 39 | V | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.2 | 168.8 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | L22 C27 L28 L29 I48 V49 V69 | L22-V39 HydrophobicContact CD1-CG1 3.61Å; L22-V39 HydrophobicContact CD1-CG2 4.42Å; C27-V39 HydrophobicContact CB-CG1 4.1Å; L28-V39 CarbonylContact O-C 3.58Å; L28-V39 WeakPolarHBondContact O-CA 3.16Å; L29-V39 HydrophobicContact CD1-CG2 3.74Å; V39-I48 HydrophobicContact CG1-CB 4.22Å; V39-I48 HydrophobicContact CG1-CD1 4.37Å; V39-I48 PolarHBondContact O-N 2.98Å; V39-V49 HydrophobicContact CB-CB 4.19Å; V39-V49 HydrophobicContact CG2-CB 4.36Å; V39-V49 PolarHBondContact N-O 3.48Å; V39-V49 PolarHBondContact O-N 3.22Å; V39-V69 HydrophobicContact CG2-CG1 4.07Å |
| 40 | R | 94.2 | Very high | 92 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150.4 | 175.5 | -68.7 | 177.7 | 174 | -121.7 | 1.6 | 111.1 | I7 C27 L28 E38 Y42 L45 R46 | I7-R40 VanDerWaalsContact CG2-CZ 3.42Å; C27-R40 CarbonylContact C-O 3.54Å; C27-R40 VanDerWaalsContact CA-O 3.28Å; C27-R40 WeakPolarHBondContact CA-O 3.26Å; L28-R40 HydrophobicContact CB-CB 4.49Å; L28-R40 PolarHBondContact N-O 3.45Å; L28-R40 PolarHBondContact O-N 2.85Å; E38-R40 VanDerWaalsContact CD-NH2 3.32Å; E38-R40 HydrophobicContact CG-CG 4.07Å; E38-R40 IonicContact OE1-CZ 3.72Å; E38-R40 VanDerWaalsContact OE1-CZ 3.27Å; E38-R40 IonicContact OE1-NE 2.88Å; E38-R40 PolarHBondContact OE1-NE 2.88Å; E38-R40 IonicContact OE1-NH2 3.46Å; E38-R40 PolarHBondContact OE1-NH2 2.91Å; E38-R40 IonicContact OE2-CZ 2.83Å; E38-R40 IonicContact OE2-NE 2.7Å; E38-R40 PolarHBondContact OE2-NE 2.79Å; E38-R40 IonicContact OE2-NH2 2.87Å; E38-R40 PolarHBondContact OE2-NH2 2.88Å; R40-Y42 PolarHBondContact O-N 2.98Å; R40-L45 WeakPolarHBondContact CD-O 3.41Å; R40-L45 PolarHBondContact NH1-O 2.93Å; R40-R46 CarbonylContact C-O 3.49Å; R40-R46 VanDerWaalsContact CA-O 3.24Å; R40-R46 WeakPolarHBondContact CA-O 3.35Å |
| 41 | S | 90.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 127.1 | 165.4 | 176 | 0 | 0 | 0 | 0 | 108.4 | R43 T44 L45 R46 I48 | S41-R43 VanDerWaalsContact C-N 3.29Å; S41-R43 PolarHBondContact O-N 2.83Å; S41-T44 VanDerWaalsContact CB-OG1 3.24Å; S41-T44 WeakPolarHBondContact CB-OG1 3.4Å; S41-T44 PolarHBondContact OG-N 3.06Å; S41-T44 PolarHBondContact OG-OG1 2.83Å; S41-L45 WeakPolarHBondContact O-CA 3.3Å; S41-L45 PolarHBondContact O-N 2.84Å; S41-R46 PolarHBondContact N-O 3.48Å; S41-I48 VanDerWaalsContact N-CD1 3.35Å |
| 42 | Y | 86.3 | Confident | 91.5 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 13% | 0.125 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -37.4 | 177.4 | 175 | -113.1 | 0 | 0 | 0 | 112 | F5 F19 Q26 R40 L45 L305 L309 | F5-Y42 AromaticContact CE1-CE2 3.91Å; F5-Y42 HydrophobicContact CE1-CE2 3.91Å; F5-Y42 HydrophobicContact CZ-CD2 4.45Å; F5-Y42 AromaticContact CZ-CE2 3.86Å; F5-Y42 HydrophobicContact CZ-CE2 3.86Å; F19-Y42 HydrophobicContact CD1-CD2 4.36Å; F19-Y42 AromaticContact CE1-CD2 3.65Å; F19-Y42 HydrophobicContact CE1-CD2 3.65Å; F19-Y42 AromaticContact CE1-CE2 3.69Å; F19-Y42 HydrophobicContact CE1-CE2 3.69Å; F19-Y42 HydrophobicContact CE1-CG 4.45Å; F19-Y42 HydrophobicContact CZ-CE2 4.35Å; Q26-Y42 WeakPolarHBondContact O-CB 3.35Å; Q26-Y42 PolarHBondContact O-N 2.94Å; R40-Y42 PolarHBondContact O-N 2.98Å; Y42-L45 WeakPolarHBondContact O-CD2 3.41Å; Y42-L305 HydrophobicContact CD1-CD2 4.21Å; Y42-L305 HydrophobicContact CE1-CB 4.31Å; Y42-L309 WeakPolarHBondContact OH-CD1 3.45Å |
| 43 | R | 84.8 | Confident | 91 | Very high | 204 Ų | 204 | 53.9 Ų | 53.9 | 77% | 0.77 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -41 | -177 | -67.1 | -173.9 | -177.3 | -172.2 | -0.5 | 113.7 | S41 | S41-R43 VanDerWaalsContact C-N 3.29Å; S41-R43 PolarHBondContact O-N 2.83Å |
| 44 | T | 88.1 | Confident | 90.1 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 52% | 0.515 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -9.5 | -174.6 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | S41 R46 | S41-T44 VanDerWaalsContact CB-OG1 3.24Å; S41-T44 WeakPolarHBondContact CB-OG1 3.4Å; S41-T44 PolarHBondContact OG-N 3.06Å; S41-T44 PolarHBondContact OG-OG1 2.83Å; T44-R46 PolarHBondContact O-N 2.98Å |
| 45 | L | 87.8 | Confident | 89.3 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | trans | 56.4 | 9.9 | -173.7 | -52.5 | 179.5 | 0 | 0 | 0 | 114.8 | F5 I7 R40 S41 Y42 | F5-L45 HydrophobicContact CB-CD1 4.04Å; F5-L45 HydrophobicContact CD1-CD1 4.43Å; F5-L45 HydrophobicContact CD2-CD1 3.46Å; F5-L45 VanDerWaalsContact CD2-CD1 3.46Å; F5-L45 HydrophobicContact CD2-CD2 4.04Å; F5-L45 HydrophobicContact CD2-CG 4.41Å; F5-L45 HydrophobicContact CE1-CD2 4.45Å; F5-L45 HydrophobicContact CE2-CD1 3.97Å; F5-L45 HydrophobicContact CE2-CD2 3.64Å; F5-L45 HydrophobicContact CE2-CG 4.48Å; F5-L45 HydrophobicContact CG-CD1 3.73Å; F5-L45 HydrophobicContact CZ-CD2 3.86Å; I7-L45 HydrophobicContact CD1-CD2 4.19Å; R40-L45 WeakPolarHBondContact CD-O 3.41Å; R40-L45 PolarHBondContact NH1-O 2.93Å; S41-L45 WeakPolarHBondContact O-CA 3.3Å; S41-L45 PolarHBondContact O-N 2.84Å; Y42-L45 WeakPolarHBondContact O-CD2 3.41Å | ||
| 46 | R | 90.4 | Very high | 88.3 | Confident | 190 Ų | 190 | 66.9 Ų | 66.9 | 72% | 0.717 | 33% | 0.33 | S | S | * | . | trans | -74.9 | 140.5 | 176.2 | -67 | -174.7 | 178.9 | -177.3 | -0.1 | 110.5 | R40 S41 T44 | R40-R46 CarbonylContact C-O 3.49Å; R40-R46 VanDerWaalsContact CA-O 3.24Å; R40-R46 WeakPolarHBondContact CA-O 3.35Å; S41-R46 PolarHBondContact N-O 3.48Å; T44-R46 PolarHBondContact O-N 2.98Å | ||
| 47 | S | 91.1 | Very high | 87.8 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 135.6 | 171.9 | -149.3 | 0 | 0 | 0 | 0 | 110.3 | E38 | E38-S47 WeakPolarHBondContact CG-OG 3.28Å; E38-S47 VanDerWaalsContact OE1-CB 3.27Å; E38-S47 WeakPolarHBondContact OE1-CB 3.5Å; E38-S47 PolarHBondContact OE1-OG 2.78Å |
| 48 | I | 91.9 | Very high | 87.7 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 20% | 0.195 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -52.3 | 177.4 | -57.8 | 178.7 | 0 | 0 | 0 | 108.7 | V39 S41 L87 | V39-I48 HydrophobicContact CG1-CB 4.22Å; V39-I48 HydrophobicContact CG1-CD1 4.37Å; V39-I48 PolarHBondContact O-N 2.98Å; S41-I48 VanDerWaalsContact N-CD1 3.35Å; I48-L87 HydrophobicContact CG2-CD1 3.61Å; I48-L87 HydrophobicContact CG2-CD2 3.64Å; I48-L87 HydrophobicContact CG2-CG 4.11Å |
| 49 | V | 93 | Very high | 87.6 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 135.4 | -179.8 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | V39 L51 I83 L87 | V39-V49 HydrophobicContact CB-CB 4.19Å; V39-V49 HydrophobicContact CG2-CB 4.36Å; V39-V49 PolarHBondContact N-O 3.48Å; V39-V49 PolarHBondContact O-N 3.22Å; V49-L51 HydrophobicContact CG1-CD2 3.56Å; V49-L51 HydrophobicContact CG1-CG 3.94Å; V49-I83 HydrophobicContact CG1-CD1 4.26Å; V49-I83 HydrophobicContact CG2-CG2 4.18Å; V49-L87 HydrophobicContact CG2-CB 4.25Å |
| 50 | C | 93.5 | Very high | 87.4 | Confident | 79 Ų | 79 | 68.7 Ų | 68.7 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.4 | 168.7 | -170.5 | 0 | 0 | 0 | 0 | 108 | L37 | L37-C50 WeakPolarHBondContact O-CA 3.5Å |
| 51 | L | 93.2 | Very high | 87.4 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 150.7 | 175.7 | -48 | 168 | 0 | 0 | 0 | 107.8 | E36 L37 V49 V69 W81 I83 S89 | E36-L51 CarbonylContact C-O 3.58Å; E36-L51 WeakPolarHBondContact CA-O 3.23Å; L37-L51 HydrophobicContact CB-CB 4.16Å; L37-L51 HydrophobicContact CD1-CB 4.38Å; L37-L51 HydrophobicContact CD1-CD1 4.43Å; L37-L51 PolarHBondContact N-O 3.47Å; L37-L51 PolarHBondContact O-N 2.9Å; V49-L51 HydrophobicContact CG1-CD2 3.56Å; V49-L51 HydrophobicContact CG1-CG 3.94Å; L51-V69 HydrophobicContact CD1-CG2 3.37Å; L51-W81 HydrophobicContact CD1-CB 3.92Å; L51-W81 HydrophobicContact CD1-CD2 3.81Å; L51-W81 HydrophobicContact CD1-CE3 4.21Å; L51-W81 HydrophobicContact CD1-CG 3.69Å; L51-W81 HydrophobicContact CD2-CG 4.33Å; L51-I83 HydrophobicContact CD1-CD1 4.36Å; L51-S89 VanDerWaalsContact CD2-CB 3.47Å; L51-S89 WeakPolarHBondContact CD2-OG 3.48Å |
| 52 | K | 88.2 | Confident | 87.6 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 141.4 | 177.8 | -165.8 | 175.5 | -177.6 | 156.2 | 0 | 109.8 | E36 | E36-K52 HydrophobicContact CG-CB 4.15Å; E36-K52 HydrophobicContact CG-CD 3.59Å; E36-K52 HydrophobicContact CG-CG 3.63Å; E36-K52 IonicContact OE1-NZ 2.71Å; E36-K52 PolarHBondContact OE1-NZ 3.4Å |
| 53 | E | 84.3 | Confident | 88.1 | Confident | 19 Ų | 19 | 65 Ų | 65 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | trans | -76.2 | 149.7 | 168.1 | -160.1 | 54.2 | -145 | 0 | 0 | 111.2 | G35 E55 F73 K79 | G35-E53 PolarHBondContact O-N 3.14Å; E53-E55 VanDerWaalsContact C-N 3.26Å; E53-E55 PolarHBondContact O-N 3.39Å; E53-F73 HydrophobicContact CB-CD1 4.49Å; E53-F73 HydrophobicContact CB-CE1 3.98Å; E53-F73 HydrophobicContact CB-CZ 4.16Å; E53-K79 IonicContact OE1-NZ 3.02Å; E53-K79 PolarHBondContact OE1-NZ 2.86Å; E53-K79 WeakPolarHBondContact OE2-CD 3.39Å; E53-K79 WeakPolarHBondContact OE2-CE 3.4Å; E53-K79 IonicContact OE2-NZ 2.99Å; E53-K79 PolarHBondContact OE2-NZ 2.77Å | ||
| 54 | T | 73.8 | Confident | 88.5 | Confident | 133 Ų | 133 | 56.6 Ų | 56.6 | 82% | 0.816 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -65.2 | -33.9 | -178.6 | 44.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 55 | E | 74.1 | Confident | 88.7 | Confident | 135 Ų | 135 | 53.6 Ų | 53.6 | 63% | 0.631 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -97.1 | 143.8 | 176.1 | -63.1 | -174.3 | 174 | 0 | 0 | 110.5 | E53 C57 | E53-E55 VanDerWaalsContact C-N 3.26Å; E53-E55 PolarHBondContact O-N 3.39Å; E55-C57 VanDerWaalsContact C-N 3.25Å; E55-C57 PolarHBondContact O-N 2.92Å |
| 56 | D | 70.4 | Confident | 88.7 | Confident | 133 Ų | 133 | 60 Ų | 60 | 71% | 0.711 | 30% | 0.3 | S | S | * | . | trans | -71.1 | 83 | 176.6 | -170.4 | 10.1 | 0 | 0 | 0 | 110.1 | N34 | N34-D56 WeakPolarHBondContact CA-OD1 3.24Å; N34-D56 WeakPolarHBondContact CB-OD1 3.09Å | ||
| 57 | C | 84.6 | Confident | 88.4 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.081 | 29% | 0.287 | C | S | . | . | trans | -123 | 132.4 | -177.6 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | G35 E55 V59 F73 A75 | G35-C57 WeakPolarHBondContact CA-O 3.41Å; G35-C57 PolarHBondContact N-O 2.97Å; E55-C57 VanDerWaalsContact C-N 3.25Å; E55-C57 PolarHBondContact O-N 2.92Å; C57-V59 PolarHBondContact O-N 2.69Å; C57-F73 WeakPolarHBondContact SG-CD1 3.36Å; C57-A75 HydrophobicContact CB-CB 3.57Å | ||
| 58 | Q | 91.5 | Very high | 88.5 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | trans | -66.5 | 131.2 | -176.3 | 169.9 | 170.5 | 0.1 | 0 | 0 | 112.3 | T15 K33 R60 F73 R74 | T15-Q58 HydrophobicContact CG2-CG 3.97Å; K33-Q58 HydrophobicContact CG-CB 4.46Å; K33-Q58 HydrophobicContact CG-CG 4.46Å; K33-Q58 WeakPolarHBondContact O-CA 3.12Å; K33-Q58 WeakPolarHBondContact O-CB 3.24Å; K33-Q58 PolarHBondContact O-N 2.82Å; Q58-R60 PolarHBondContact O-N 3.15Å; Q58-F73 WeakPolarHBondContact O-CA 3.46Å; Q58-R74 HydrophobicContact CB-CG 4.25Å; Q58-R74 HydrophobicContact CG-CG 4.42Å; Q58-R74 PolarHBondContact O-N 2.99Å | ||
| 59 | V | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 121 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | T15 A16 K32 L37 C57 C62 A71 F73 | T15-V59 VanDerWaalsContact CB-O 3.26Å; T15-V59 WeakPolarHBondContact CB-O 3.38Å; T15-V59 PolarHBondContact OG1-O 3.21Å; A16-V59 HydrophobicContact CB-CG1 4.19Å; K32-V59 WeakPolarHBondContact O-CG2 3.42Å; K32-V59 PolarHBondContact O-N 2.77Å; K32-V59 VanDerWaalsContact O-N 3.14Å; L37-V59 HydrophobicContact CD2-CG1 3.99Å; L37-V59 HydrophobicContact CD2-CG2 3.95Å; L37-V59 HydrophobicContact CG-CG2 4.29Å; C57-V59 PolarHBondContact O-N 2.69Å; V59-C62 HydrophobicContact CG1-CB 4.11Å; V59-A71 HydrophobicContact CG1-CB 4.3Å; V59-F73 HydrophobicContact CG2-CD1 4.1Å; V59-F73 HydrophobicContact CG2-CE1 3.7Å |
| 60 | R | 91.8 | Very high | 88.8 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -52.7 | 178.1 | 176.5 | 98.1 | -73.4 | 175.5 | -18.8 | 110.9 | Q58 H72 | Q58-R60 PolarHBondContact O-N 3.15Å; R60-H72 WeakPolarHBondContact CA-O 3.15Å; R60-H72 HydrophobicContact CB-CB 4.42Å; R60-H72 VanDerWaalsContact CB-O 3.29Å; R60-H72 WeakPolarHBondContact CB-O 3.34Å; R60-H72 PolarHBondContact N-O 2.93Å |
| 61 | S | 92.9 | Very high | 88.8 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 158.2 | 175 | 60.8 | 0 | 0 | 0 | 0 | 109 | A71 H72 A105 | S61-A71 WeakPolarHBondContact O-CA 3.19Å; S61-H72 PolarHBondContact N-O 2.92Å; S61-H72 PolarHBondContact O-N 3.36Å; S61-A105 PolarHBondContact OG-O 2.84Å |
| 62 | C | 95.4 | Very high | 88.8 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 160.4 | 177.9 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | S18 L29 L37 V59 W70 A71 | S18-C62 WeakPolarHBondContact CB-O 3.45Å; L29-C62 HydrophobicContact CD2-CB 3.74Å; L29-C62 HydrophobicContact CG-CB 4.27Å; L37-C62 HydrophobicContact CD2-CB 3.74Å; V59-C62 HydrophobicContact CG1-CB 4.11Å; C62-W70 VanDerWaalsContact CA-O 3.23Å; C62-W70 WeakPolarHBondContact CA-O 3.49Å; C62-W70 VanDerWaalsContact CB-O 3.31Å; C62-W70 WeakPolarHBondContact CB-O 3.37Å; C62-A71 HydrophobicContact CB-CB 4.08Å |
| 63 | G | 95.4 | Very high | 89 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | -174.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L29 V69 W70 | L29-G63 WeakPolarHBondContact CD2-O 3.43Å; G63-V69 VanDerWaalsContact O-CA 3.3Å; G63-V69 WeakPolarHBondContact O-CA 3.49Å; G63-W70 VanDerWaalsContact C-CD1 3.43Å; G63-W70 VanDerWaalsContact CA-NE1 3.29Å; G63-W70 PolarHBondContact N-O 2.82Å; G63-W70 VanDerWaalsContact O-CD1 3.24Å; G63-W70 PolarHBondContact O-N 3.2Å |
| 64 | F | 94 | Very high | 89.1 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 150.9 | 175.1 | -62.5 | -95.4 | 0 | 0 | 0 | 109.6 | G20 L22 C27 L29 G68 V69 | G20-F64 VanDerWaalsContact CA-CD2 3.44Å; L22-F64 HydrophobicContact CD1-CD1 4.23Å; L22-F64 HydrophobicContact CD1-CE1 3.71Å; L22-F64 HydrophobicContact CD2-CD1 4.03Å; L22-F64 HydrophobicContact CD2-CE1 4.36Å; L22-F64 HydrophobicContact CG-CD1 3.8Å; L22-F64 HydrophobicContact CG-CE1 3.69Å; C27-F64 HydrophobicContact CB-CE1 3.79Å; C27-F64 HydrophobicContact CB-CZ 3.64Å; L29-F64 HydrophobicContact CB-CD2 4.32Å; L29-F64 HydrophobicContact CB-CE1 4.39Å; L29-F64 HydrophobicContact CB-CE2 3.41Å; L29-F64 VanDerWaalsContact CB-CE2 3.41Å; L29-F64 HydrophobicContact CB-CZ 3.46Å; L29-F64 VanDerWaalsContact CB-CZ 3.46Å; F64-G68 WeakPolarHBondContact CA-O 3.22Å; F64-V69 HydrophobicContact CD1-CG1 3.65Å; F64-V69 HydrophobicContact CE1-CG1 3.72Å; F64-V69 HydrophobicContact CG-CG1 4.42Å |
| 65 | F | 92.6 | Very high | 89.2 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 9% | 0.092 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 173.2 | 169.4 | 76 | -75.7 | 0 | 0 | 0 | 107.9 | Q67 G68 V69 W70 F80 W81 I92 V107 E116 | F65-Q67 HydrophobicContact CD2-CB 4.32Å; F65-Q67 HydrophobicContact CE2-CB 3.6Å; F65-Q67 HydrophobicContact CE2-CG 4.22Å; F65-Q67 HydrophobicContact CZ-CB 3.99Å; F65-Q67 PolarHBondContact O-N 3.31Å; F65-G68 WeakPolarHBondContact CD1-O 3.49Å; F65-G68 PolarHBondContact N-O 3.44Å; F65-G68 PolarHBondContact O-N 2.85Å; F65-G68 VanDerWaalsContact O-O 3.11Å; F65-V69 WeakPolarHBondContact CE1-O 3.32Å; F65-W70 HydrophobicContact CD1-CB 4.48Å; F65-F80 HydrophobicContact CD1-CD1 4.26Å; F65-F80 HydrophobicContact CE1-CB 4.43Å; F65-F80 HydrophobicContact CE1-CD1 4.07Å; F65-F80 HydrophobicContact CZ-CB 4.34Å; F65-F80 HydrophobicContact CZ-CD1 4.26Å; F65-W81 WeakPolarHBondContact CE1-O 3.34Å; F65-I92 HydrophobicContact CE2-CD1 3.94Å; F65-I92 HydrophobicContact CZ-CD1 3.7Å; F65-I92 HydrophobicContact CZ-CG1 4.48Å; F65-V107 HydrophobicContact CB-CG1 4.14Å; F65-E116 WeakPolarHBondContact CA-OE1 3.26Å; F65-E116 WeakPolarHBondContact CB-OE1 3.35Å |
| 66 | K | 86.6 | Confident | 89.6 | Confident | 173 Ų | 173 | 38 Ų | 38 | 75% | 0.752 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -34 | -169 | -174 | 176.3 | 179.7 | 178.9 | 0 | 114.6 | E116 | K66-E116 WeakPolarHBondContact CB-OE2 3.45Å; K66-E116 PolarHBondContact N-OE1 3.34Å |
| 67 | Q | 84.2 | Confident | 90.5 | Very high | 95 Ų | 95 | 33.2 Ų | 33.2 | 44% | 0.444 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -5.2 | -175.5 | -53.9 | 174.5 | -14.8 | 0 | 0 | 113.7 | F65 Q82 I83 | F65-Q67 HydrophobicContact CD2-CB 4.32Å; F65-Q67 HydrophobicContact CE2-CB 3.6Å; F65-Q67 HydrophobicContact CE2-CG 4.22Å; F65-Q67 HydrophobicContact CZ-CB 3.99Å; F65-Q67 PolarHBondContact O-N 3.31Å; Q67-Q82 HydrophobicContact CB-CG 4.3Å; Q67-Q82 WeakPolarHBondContact O-CA 3.38Å; Q67-Q82 WeakPolarHBondContact O-CG 3.07Å; Q67-I83 PolarHBondContact O-N 3.07Å; Q67-I83 VanDerWaalsContact O-N 3.09Å |
| 68 | G | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.5 | -131.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F64 F65 W81 | F64-G68 WeakPolarHBondContact CA-O 3.22Å; F65-G68 WeakPolarHBondContact CD1-O 3.49Å; F65-G68 PolarHBondContact N-O 3.44Å; F65-G68 PolarHBondContact O-N 2.85Å; F65-G68 VanDerWaalsContact O-O 3.11Å; G68-W81 WeakPolarHBondContact CA-O 3.31Å |
| 69 | V | 96 | Very high | 90.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.8 | -175.7 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | L22 L29 V39 L51 G63 F64 F65 W81 I83 | L22-V69 HydrophobicContact CD1-CG1 4.32Å; L22-V69 HydrophobicContact CD2-CG1 4.47Å; L29-V69 HydrophobicContact CD1-CG1 4.47Å; L29-V69 HydrophobicContact CD2-CB 3.99Å; L29-V69 HydrophobicContact CD2-CG1 4.08Å; V39-V69 HydrophobicContact CG2-CG1 4.07Å; L51-V69 HydrophobicContact CD1-CG2 3.37Å; G63-V69 VanDerWaalsContact O-CA 3.3Å; G63-V69 WeakPolarHBondContact O-CA 3.49Å; F64-V69 HydrophobicContact CD1-CG1 3.65Å; F64-V69 HydrophobicContact CE1-CG1 3.72Å; F64-V69 HydrophobicContact CG-CG1 4.42Å; F65-V69 WeakPolarHBondContact CE1-O 3.32Å; V69-W81 HydrophobicContact CG2-CB 4.07Å; V69-W81 HydrophobicContact CG2-CE3 4.48Å; V69-W81 PolarHBondContact N-O 2.81Å; V69-W81 PolarHBondContact O-N 3.15Å; V69-I83 HydrophobicContact CG2-CD1 4.27Å; V69-I83 HydrophobicContact CG2-CG1 4.33Å |
| 70 | W | 95.4 | Very high | 91 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 156.2 | 176.2 | 65 | -87.9 | 0 | 0 | 0 | 110.5 | C62 G63 F65 H72 I78 K79 F80 A105 V107 | C62-W70 VanDerWaalsContact CA-O 3.23Å; C62-W70 WeakPolarHBondContact CA-O 3.49Å; C62-W70 VanDerWaalsContact CB-O 3.31Å; C62-W70 WeakPolarHBondContact CB-O 3.37Å; G63-W70 VanDerWaalsContact C-CD1 3.43Å; G63-W70 VanDerWaalsContact CA-NE1 3.29Å; G63-W70 PolarHBondContact N-O 2.82Å; G63-W70 VanDerWaalsContact O-CD1 3.24Å; G63-W70 PolarHBondContact O-N 3.2Å; F65-W70 HydrophobicContact CD1-CB 4.48Å; W70-H72 HydrophobicContact CZ3-CB 4.21Å; W70-I78 HydrophobicContact CE3-CG2 4.23Å; W70-K79 CarbonylContact C-O 3.53Å; W70-K79 VanDerWaalsContact CA-O 3.23Å; W70-K79 WeakPolarHBondContact CA-O 3.41Å; W70-F80 HydrophobicContact CB-CD1 3.51Å; W70-F80 HydrophobicContact CB-CE1 3.5Å; W70-F80 VanDerWaalsContact CB-CE1 3.5Å; W70-F80 HydrophobicContact CB-CG 4.16Å; W70-F80 HydrophobicContact CB-CZ 4.14Å; W70-F80 HydrophobicContact CG-CD1 4.44Å; W70-F80 HydrophobicContact CG-CE1 4.05Å; W70-A105 WeakPolarHBondContact CH2-O 3.45Å; W70-V107 HydrophobicContact CD2-CB 4.07Å; W70-V107 HydrophobicContact CD2-CG2 3.6Å; W70-V107 HydrophobicContact CE3-CG2 4.03Å; W70-V107 HydrophobicContact CG-CB 4.24Å; W70-V107 HydrophobicContact CG-CG2 3.91Å; W70-V107 HydrophobicContact CH2-CG2 4.47Å; W70-V107 HydrophobicContact CZ2-CB 4.01Å; W70-V107 HydrophobicContact CZ2-CG2 4.06Å; W70-V107 HydrophobicContact CZ3-CG2 4.44Å |
| 71 | A | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 138.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L37 V59 S61 C62 F73 I78 K79 W81 | L37-A71 HydrophobicContact CD1-CB 3.48Å; L37-A71 VanDerWaalsContact CD1-CB 3.48Å; L37-A71 HydrophobicContact CD2-CB 3.68Å; L37-A71 HydrophobicContact CG-CB 4.11Å; V59-A71 HydrophobicContact CG1-CB 4.3Å; S61-A71 WeakPolarHBondContact O-CA 3.19Å; C62-A71 HydrophobicContact CB-CB 4.08Å; A71-F73 HydrophobicContact CB-CD2 4.43Å; A71-F73 HydrophobicContact CB-CE1 4.38Å; A71-F73 HydrophobicContact CB-CE2 3.66Å; A71-F73 HydrophobicContact CB-CZ 3.64Å; A71-F73 WeakPolarHBondContact O-CE2 3.08Å; A71-I78 CarbonylContact O-C 3.57Å; A71-I78 VanDerWaalsContact O-CA 3.32Å; A71-I78 WeakPolarHBondContact O-CA 3.04Å; A71-K79 PolarHBondContact N-O 2.84Å; A71-K79 PolarHBondContact O-N 2.95Å; A71-W81 HydrophobicContact CB-CZ3 4.07Å |
| 72 | H | 92.6 | Very high | 91.2 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.9 | 166.8 | 179.7 | -163.7 | 0 | 0 | 0 | 108.1 | R60 S61 W70 I78 A105 | R60-H72 WeakPolarHBondContact CA-O 3.15Å; R60-H72 HydrophobicContact CB-CB 4.42Å; R60-H72 VanDerWaalsContact CB-O 3.29Å; R60-H72 WeakPolarHBondContact CB-O 3.34Å; R60-H72 PolarHBondContact N-O 2.93Å; S61-H72 PolarHBondContact N-O 2.92Å; S61-H72 PolarHBondContact O-N 3.36Å; W70-H72 HydrophobicContact CZ3-CB 4.21Å; H72-I78 HydrophobicContact CB-CG1 3.92Å; H72-A105 HydrophobicContact CB-CB 4.34Å; H72-A105 PolarHBondContact ND1-N 2.8Å |
| 73 | F | 91 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 150.1 | -179.5 | -61.4 | -87.1 | 0 | 0 | 0 | 111 | L37 E53 C57 Q58 V59 A71 A75 S76 L77 K79 W81 | L37-F73 HydrophobicContact CD1-CZ 4.23Å; E53-F73 HydrophobicContact CB-CD1 4.49Å; E53-F73 HydrophobicContact CB-CE1 3.98Å; E53-F73 HydrophobicContact CB-CZ 4.16Å; C57-F73 WeakPolarHBondContact SG-CD1 3.36Å; Q58-F73 WeakPolarHBondContact O-CA 3.46Å; V59-F73 HydrophobicContact CG2-CD1 4.1Å; V59-F73 HydrophobicContact CG2-CE1 3.7Å; A71-F73 HydrophobicContact CB-CD2 4.43Å; A71-F73 HydrophobicContact CB-CE1 4.38Å; A71-F73 HydrophobicContact CB-CE2 3.66Å; A71-F73 HydrophobicContact CB-CZ 3.64Å; A71-F73 WeakPolarHBondContact O-CE2 3.08Å; F73-A75 PolarHBondContact O-N 3.35Å; F73-A75 VanDerWaalsContact O-N 3.15Å; F73-S76 PolarHBondContact O-N 2.98Å; F73-L77 WeakPolarHBondContact CD2-O 3.18Å; F73-L77 PolarHBondContact N-O 2.89Å; F73-K79 HydrophobicContact CE2-CB 4.13Å; F73-W81 AromaticContact CE2-CH2 3.73Å; F73-W81 HydrophobicContact CE2-CH2 3.73Å; F73-W81 HydrophobicContact CE2-CZ3 4.29Å; F73-W81 AromaticContact CZ-CH2 3.68Å; F73-W81 HydrophobicContact CZ-CH2 3.68Å; F73-W81 HydrophobicContact CZ-CZ3 4.39Å |
| 74 | R | 87.3 | Confident | 91 | Very high | 120 Ų | 120 | 34.7 Ų | 34.7 | 45% | 0.453 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -12.5 | 172.1 | -72.8 | -166.6 | 178.5 | 178.1 | -3.4 | 114.1 | Q58 S76 | Q58-R74 HydrophobicContact CB-CG 4.25Å; Q58-R74 HydrophobicContact CG-CG 4.42Å; Q58-R74 PolarHBondContact O-N 2.99Å; R74-S76 PolarHBondContact O-N 3.35Å |
| 75 | A | 76.8 | Confident | 90.8 | Very high | 50 Ų | 50 | 38 Ų | 38 | 41% | 0.413 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 29.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C57 F73 L77 | C57-A75 HydrophobicContact CB-CB 3.57Å; F73-A75 PolarHBondContact O-N 3.35Å; F73-A75 VanDerWaalsContact O-N 3.15Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 3.08Å |
| 76 | S | 82.2 | Confident | 90.6 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 39.1 | 174.3 | -59.8 | 0 | 0 | 0 | 0 | 115.4 | F73 R74 A97 P98 | F73-S76 PolarHBondContact O-N 2.98Å; R74-S76 PolarHBondContact O-N 3.35Å; S76-A97 CarbonylContact C-O 3.52Å; S76-A97 WeakPolarHBondContact CA-O 3.33Å; S76-A97 WeakPolarHBondContact CB-O 3.34Å; S76-A97 CarbonylContact O-C 3.58Å; S76-A97 PolarHBondContact O-N 2.87Å; S76-P98 PolarHBondContact OG-O 2.85Å; S76-P98 VanDerWaalsContact OG-O 3.05Å |
| 77 | L | 88.7 | Confident | 90.5 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137.8 | -177.6 | -176.1 | 67.2 | 0 | 0 | 0 | 110.9 | F73 A75 Q94 | F73-L77 WeakPolarHBondContact CD2-O 3.18Å; F73-L77 PolarHBondContact N-O 2.89Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 3.08Å; L77-Q94 HydrophobicContact CD1-CB 4.1Å; L77-Q94 HydrophobicContact CD1-CG 4.49Å |
| 78 | I | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.1 | 164.5 | -54.2 | 173.8 | 0 | 0 | 0 | 107.9 | W70 A71 H72 F80 Q94 I95 A97 A105 L118 | W70-I78 HydrophobicContact CE3-CG2 4.23Å; A71-I78 CarbonylContact O-C 3.57Å; A71-I78 VanDerWaalsContact O-CA 3.32Å; A71-I78 WeakPolarHBondContact O-CA 3.04Å; H72-I78 HydrophobicContact CB-CG1 3.92Å; I78-F80 HydrophobicContact CB-CE2 4.29Å; I78-F80 HydrophobicContact CG2-CD2 4.38Å; I78-F80 HydrophobicContact CG2-CE2 3.48Å; I78-F80 VanDerWaalsContact CG2-CE2 3.48Å; I78-F80 HydrophobicContact CG2-CZ 3.68Å; I78-Q94 CarbonylContact O-C 3.51Å; I78-Q94 WeakPolarHBondContact O-CA 3.25Å; I78-I95 HydrophobicContact CB-CB 4.43Å; I78-I95 PolarHBondContact N-O 3.13Å; I78-I95 PolarHBondContact O-N 2.89Å; I78-A97 HydrophobicContact CD1-CB 4.03Å; I78-A97 HydrophobicContact CG1-CB 3.86Å; I78-A105 HydrophobicContact CD1-CB 3.63Å; I78-L118 HydrophobicContact CD1-CD1 3.83Å; I78-L118 HydrophobicContact CD1-CD2 3.97Å |
| 79 | K | 93 | Very high | 90.8 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.6 | -177.1 | -172.3 | 166.5 | 176.2 | -177.4 | 0 | 111.1 | E53 W70 A71 F73 W81 V91 Q94 | E53-K79 IonicContact OE1-NZ 3.02Å; E53-K79 PolarHBondContact OE1-NZ 2.86Å; E53-K79 WeakPolarHBondContact OE2-CD 3.39Å; E53-K79 WeakPolarHBondContact OE2-CE 3.4Å; E53-K79 IonicContact OE2-NZ 2.99Å; E53-K79 PolarHBondContact OE2-NZ 2.77Å; W70-K79 CarbonylContact C-O 3.53Å; W70-K79 VanDerWaalsContact CA-O 3.23Å; W70-K79 WeakPolarHBondContact CA-O 3.41Å; A71-K79 PolarHBondContact N-O 2.84Å; A71-K79 PolarHBondContact O-N 2.95Å; F73-K79 HydrophobicContact CE2-CB 4.13Å; K79-W81 HydrophobicContact CB-CE3 4.47Å; K79-W81 HydrophobicContact CB-CH2 3.54Å; K79-W81 HydrophobicContact CB-CZ2 4.19Å; K79-W81 HydrophobicContact CB-CZ3 3.71Å; K79-W81 HydrophobicContact CD-CH2 3.61Å; K79-W81 HydrophobicContact CD-CZ2 3.42Å; K79-W81 VanDerWaalsContact CD-CZ2 3.42Å; K79-W81 HydrophobicContact CD-CZ3 4.43Å; K79-W81 HydrophobicContact CG-CD2 4.35Å; K79-W81 HydrophobicContact CG-CE3 4.27Å; K79-W81 HydrophobicContact CG-CH2 3.54Å; K79-W81 HydrophobicContact CG-CZ2 3.65Å; K79-W81 HydrophobicContact CG-CZ3 3.87Å; K79-W81 WeakPolarHBondContact O-CZ3 3.44Å; K79-V91 HydrophobicContact CD-CG1 4.36Å; K79-V91 HydrophobicContact CG-CG1 3.98Å; K79-Q94 HydrophobicContact CB-CG 4.32Å; K79-Q94 HydrophobicContact CD-CG 4.13Å; K79-Q94 HydrophobicContact CG-CG 3.83Å |
| 80 | F | 94.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.5 | -174.8 | -64.6 | -99 | 0 | 0 | 0 | 109.6 | F65 W70 I78 V91 I92 N93 I95 V107 L118 F135 | F65-F80 HydrophobicContact CD1-CD1 4.26Å; F65-F80 HydrophobicContact CE1-CB 4.43Å; F65-F80 HydrophobicContact CE1-CD1 4.07Å; F65-F80 HydrophobicContact CZ-CB 4.34Å; F65-F80 HydrophobicContact CZ-CD1 4.26Å; W70-F80 HydrophobicContact CB-CD1 3.51Å; W70-F80 HydrophobicContact CB-CE1 3.5Å; W70-F80 VanDerWaalsContact CB-CE1 3.5Å; W70-F80 HydrophobicContact CB-CG 4.16Å; W70-F80 HydrophobicContact CB-CZ 4.14Å; W70-F80 HydrophobicContact CG-CD1 4.44Å; W70-F80 HydrophobicContact CG-CE1 4.05Å; I78-F80 HydrophobicContact CB-CE2 4.29Å; I78-F80 HydrophobicContact CG2-CD2 4.38Å; I78-F80 HydrophobicContact CG2-CE2 3.48Å; I78-F80 VanDerWaalsContact CG2-CE2 3.48Å; I78-F80 HydrophobicContact CG2-CZ 3.68Å; F80-V91 WeakPolarHBondContact O-CA 3.4Å; F80-I92 HydrophobicContact CB-CG1 3.94Å; F80-I92 PolarHBondContact O-N 3.16Å; F80-N93 HydrophobicContact CB-CB 4.04Å; F80-N93 HydrophobicContact CD2-CB 3.97Å; F80-N93 HydrophobicContact CG-CB 4.22Å; F80-N93 PolarHBondContact N-O 2.83Å; F80-I95 HydrophobicContact CE2-CD1 3.86Å; F80-I95 HydrophobicContact CE2-CG1 4.25Å; F80-I95 HydrophobicContact CZ-CD1 4.39Å; F80-V107 HydrophobicContact CE1-CG1 4.46Å; F80-V107 HydrophobicContact CE1-CG2 3.98Å; F80-V107 HydrophobicContact CZ-CG2 4.05Å; F80-L118 HydrophobicContact CZ-CD2 4.4Å; F80-F135 HydrophobicContact CD1-CE1 4.41Å; F80-F135 HydrophobicContact CD1-CZ 4.37Å; F80-F135 AromaticContact CE1-CE1 3.89Å; F80-F135 HydrophobicContact CE1-CE1 3.89Å; F80-F135 HydrophobicContact CE1-CE2 4.33Å; F80-F135 AromaticContact CE1-CZ 3.46Å; F80-F135 HydrophobicContact CE1-CZ 3.46Å; F80-F135 VanDerWaalsContact CE1-CZ 3.46Å; F80-F135 HydrophobicContact CE2-CE1 4.24Å; F80-F135 HydrophobicContact CE2-CZ 4.21Å; F80-F135 AromaticContact CZ-CE1 3.83Å; F80-F135 HydrophobicContact CZ-CE1 3.83Å; F80-F135 HydrophobicContact CZ-CE2 4.5Å; F80-F135 AromaticContact CZ-CZ 3.39Å; F80-F135 HydrophobicContact CZ-CZ 3.39Å |
| 81 | W | 95.5 | Very high | 90.6 | Very high | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.045 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.8 | 173 | -64.3 | -101 | 0 | 0 | 0 | 109.4 | L37 L51 F65 G68 V69 A71 F73 K79 I83 T90 | L37-W81 HydrophobicContact CD1-CE3 4.22Å; L37-W81 HydrophobicContact CD1-CH2 3.81Å; L37-W81 HydrophobicContact CD1-CZ3 3.62Å; L51-W81 HydrophobicContact CD1-CB 3.92Å; L51-W81 HydrophobicContact CD1-CD2 3.81Å; L51-W81 HydrophobicContact CD1-CE3 4.21Å; L51-W81 HydrophobicContact CD1-CG 3.69Å; L51-W81 HydrophobicContact CD2-CG 4.33Å; F65-W81 WeakPolarHBondContact CE1-O 3.34Å; G68-W81 WeakPolarHBondContact CA-O 3.31Å; V69-W81 HydrophobicContact CG2-CB 4.07Å; V69-W81 HydrophobicContact CG2-CE3 4.48Å; V69-W81 PolarHBondContact N-O 2.81Å; V69-W81 PolarHBondContact O-N 3.15Å; A71-W81 HydrophobicContact CB-CZ3 4.07Å; F73-W81 AromaticContact CE2-CH2 3.73Å; F73-W81 HydrophobicContact CE2-CH2 3.73Å; F73-W81 HydrophobicContact CE2-CZ3 4.29Å; F73-W81 AromaticContact CZ-CH2 3.68Å; F73-W81 HydrophobicContact CZ-CH2 3.68Å; F73-W81 HydrophobicContact CZ-CZ3 4.39Å; K79-W81 HydrophobicContact CB-CE3 4.47Å; K79-W81 HydrophobicContact CB-CH2 3.54Å; K79-W81 HydrophobicContact CB-CZ2 4.19Å; K79-W81 HydrophobicContact CB-CZ3 3.71Å; K79-W81 HydrophobicContact CD-CH2 3.61Å; K79-W81 HydrophobicContact CD-CZ2 3.42Å; K79-W81 VanDerWaalsContact CD-CZ2 3.42Å; K79-W81 HydrophobicContact CD-CZ3 4.43Å; K79-W81 HydrophobicContact CG-CD2 4.35Å; K79-W81 HydrophobicContact CG-CE3 4.27Å; K79-W81 HydrophobicContact CG-CH2 3.54Å; K79-W81 HydrophobicContact CG-CZ2 3.65Å; K79-W81 HydrophobicContact CG-CZ3 3.87Å; K79-W81 WeakPolarHBondContact O-CZ3 3.44Å; W81-I83 HydrophobicContact CB-CD1 4.32Å; W81-T90 CarbonylContact C-O 3.52Å; W81-T90 WeakPolarHBondContact CA-O 3.25Å |
| 82 | Q | 94.9 | Very high | 90.5 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 29% | 0.29 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.4 | 161.5 | -178.7 | 172.6 | 28.4 | 0 | 0 | 108.3 | Q67 L84 S89 T90 I92 | Q67-Q82 HydrophobicContact CB-CG 4.3Å; Q67-Q82 WeakPolarHBondContact O-CA 3.38Å; Q67-Q82 WeakPolarHBondContact O-CG 3.07Å; Q82-L84 HydrophobicContact CG-CD2 4.08Å; Q82-S89 VanDerWaalsContact O-CA 3.3Å; Q82-S89 WeakPolarHBondContact O-CA 3.26Å; Q82-T90 PolarHBondContact N-O 3.38Å; Q82-T90 PolarHBondContact O-N 3.41Å; Q82-I92 HydrophobicContact CB-CD1 4.31Å; Q82-I92 HydrophobicContact CB-CG2 3.55Å |
| 83 | I | 94.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.2 | 172.8 | -53.5 | -57.8 | 0 | 0 | 0 | 107 | L22 H23 V49 L51 Q67 V69 W81 | L22-I83 HydrophobicContact CD1-CG1 4.3Å; L22-I83 HydrophobicContact CD1-CG2 4.41Å; L22-I83 HydrophobicContact CD2-CB 4.15Å; L22-I83 HydrophobicContact CD2-CG1 4.22Å; H23-I83 PolarHBondContact CE1-O 2.83Å; H23-I83 VanDerWaalsContact CE1-O 3.25Å; H23-I83 PolarHBondContact NE2-O 3.34Å; V49-I83 HydrophobicContact CG1-CD1 4.26Å; V49-I83 HydrophobicContact CG2-CG2 4.18Å; L51-I83 HydrophobicContact CD1-CD1 4.36Å; Q67-I83 PolarHBondContact O-N 3.07Å; Q67-I83 VanDerWaalsContact O-N 3.09Å; V69-I83 HydrophobicContact CG2-CD1 4.27Å; V69-I83 HydrophobicContact CG2-CG1 4.33Å; W81-I83 HydrophobicContact CB-CD1 4.32Å |
| 84 | L | 92.3 | Very high | 90.4 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | trans | -77.5 | 162.5 | -179.5 | -64.5 | -179.7 | 0 | 0 | 0 | 111.2 | H23 Q82 D86 L87 T88 | H23-L84 VanDerWaalsContact NE2-C 3.27Å; H23-L84 PolarHBondContact NE2-O 2.73Å; Q82-L84 HydrophobicContact CG-CD2 4.08Å; L84-D86 VanDerWaalsContact CB-OD1 3.25Å; L84-D86 WeakPolarHBondContact CB-OD1 3.48Å; L84-D86 PolarHBondContact O-N 2.84Å; L84-L87 WeakPolarHBondContact O-CA 3.31Å; L84-L87 PolarHBondContact O-N 2.68Å; L84-T88 WeakPolarHBondContact CD1-OG1 3.37Å; L84-T88 PolarHBondContact N-O 3.39Å | ||
| 85 | P | 88.5 | Confident | 90.5 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 63% | 0.63 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.1 | -179 | -26.9 | 36.3 | 0 | 0 | 0 | 114.6 | L87 | P85-L87 PolarHBondContact O-N 2.93Š|
| 86 | D | 89.3 | Confident | 91 | Very high | 107 Ų | 107 | 50.4 Ų | 50.4 | 57% | 0.572 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 4.2 | 172.5 | 68.9 | -7.3 | 0 | 0 | 0 | 113.2 | L84 T88 | L84-D86 VanDerWaalsContact CB-OD1 3.25Å; L84-D86 WeakPolarHBondContact CB-OD1 3.48Å; L84-D86 PolarHBondContact O-N 2.84Å; D86-T88 PolarHBondContact O-N 3.3Å; D86-T88 WeakPolarHBondContact OD1-CB 3.36Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.23Å; D86-T88 PolarHBondContact OD1-N 2.77Å; D86-T88 PolarHBondContact OD1-OG1 3.02Å; D86-T88 WeakPolarHBondContact OD2-CG2 3.24Å; D86-T88 PolarHBondContact OD2-OG1 3.16Å |
| 87 | L | 85.5 | Confident | 91.1 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 28% | 0.277 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 68.4 | 12 | -178.3 | -49.3 | 174.4 | 0 | 0 | 0 | 114.8 | I48 V49 L84 P85 | I48-L87 HydrophobicContact CG2-CD1 3.61Å; I48-L87 HydrophobicContact CG2-CD2 3.64Å; I48-L87 HydrophobicContact CG2-CG 4.11Å; V49-L87 HydrophobicContact CG2-CB 4.25Å; L84-L87 WeakPolarHBondContact O-CA 3.31Å; L84-L87 PolarHBondContact O-N 2.68Å; P85-L87 PolarHBondContact O-N 2.93Å |
| 88 | T | 91.4 | Very high | 90.3 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | trans | -73.6 | 151 | 167.5 | 64.2 | 0 | 0 | 0 | 0 | 110.1 | L84 D86 | L84-T88 WeakPolarHBondContact CD1-OG1 3.37Å; L84-T88 PolarHBondContact N-O 3.39Å; D86-T88 PolarHBondContact O-N 3.3Å; D86-T88 WeakPolarHBondContact OD1-CB 3.36Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.23Å; D86-T88 PolarHBondContact OD1-N 2.77Å; D86-T88 PolarHBondContact OD1-OG1 3.02Å; D86-T88 WeakPolarHBondContact OD2-CG2 3.24Å; D86-T88 PolarHBondContact OD2-OG1 3.16Å | ||
| 89 | S | 92.5 | Very high | 89.2 | Confident | 50 Ų | 50 | 51 Ų | 51 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.8 | -176.9 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | L51 Q82 | L51-S89 VanDerWaalsContact CD2-CB 3.47Å; L51-S89 WeakPolarHBondContact CD2-OG 3.48Å; Q82-S89 VanDerWaalsContact O-CA 3.3Å; Q82-S89 WeakPolarHBondContact O-CA 3.26Å |
| 90 | T | 94.1 | Very high | 87.5 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 37% | 0.368 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.2 | 172.9 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | W81 Q82 | W81-T90 CarbonylContact C-O 3.52Å; W81-T90 WeakPolarHBondContact CA-O 3.25Å; Q82-T90 PolarHBondContact N-O 3.38Å; Q82-T90 PolarHBondContact O-N 3.41Å |
| 91 | V | 93.3 | Very high | 86.1 | Confident | 67 Ų | 67 | 56 Ų | 56 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.4 | 172.5 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | K79 F80 Q94 | K79-V91 HydrophobicContact CD-CG1 4.36Å; K79-V91 HydrophobicContact CG-CG1 3.98Å; F80-V91 WeakPolarHBondContact O-CA 3.4Å; V91-Q94 HydrophobicContact CG1-CG 4.22Å |
| 92 | I | 92.4 | Very high | 85.1 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 35% | 0.349 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -21.7 | -178.1 | 61.9 | 164.1 | 0 | 0 | 0 | 113.5 | F65 F80 Q82 | F65-I92 HydrophobicContact CE2-CD1 3.94Å; F65-I92 HydrophobicContact CZ-CD1 3.7Å; F65-I92 HydrophobicContact CZ-CG1 4.48Å; F80-I92 HydrophobicContact CB-CG1 3.94Å; F80-I92 PolarHBondContact O-N 3.16Å; Q82-I92 HydrophobicContact CB-CD1 4.31Å; Q82-I92 HydrophobicContact CB-CG2 3.55Å |
| 93 | N | 90.3 | Very high | 84.5 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 153.3 | 179.9 | -155.7 | -5.1 | 0 | 0 | 0 | 111.6 | F80 | F80-N93 HydrophobicContact CB-CB 4.04Å; F80-N93 HydrophobicContact CD2-CB 3.97Å; F80-N93 HydrophobicContact CG-CB 4.22Å; F80-N93 PolarHBondContact N-O 2.83Å |
| 94 | Q | 90.8 | Very high | 84.1 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 122.7 | 175.9 | -77.1 | -174.2 | 28.9 | 0 | 0 | 108.5 | L77 I78 K79 V91 | L77-Q94 HydrophobicContact CD1-CB 4.1Å; L77-Q94 HydrophobicContact CD1-CG 4.49Å; I78-Q94 CarbonylContact O-C 3.51Å; I78-Q94 WeakPolarHBondContact O-CA 3.25Å; K79-Q94 HydrophobicContact CB-CG 4.32Å; K79-Q94 HydrophobicContact CD-CG 4.13Å; K79-Q94 HydrophobicContact CG-CG 3.83Å; V91-Q94 HydrophobicContact CG1-CG 4.22Å |
| 95 | I | 88.7 | Confident | 84 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.6 | -178 | -60.5 | 176.4 | 0 | 0 | 0 | 107.4 | I78 F80 A97 L118 F135 | I78-I95 HydrophobicContact CB-CB 4.43Å; I78-I95 PolarHBondContact N-O 3.13Å; I78-I95 PolarHBondContact O-N 2.89Å; F80-I95 HydrophobicContact CE2-CD1 3.86Å; F80-I95 HydrophobicContact CE2-CG1 4.25Å; F80-I95 HydrophobicContact CZ-CD1 4.39Å; I95-A97 PolarHBondContact O-N 2.88Å; I95-L118 HydrophobicContact CD1-CD2 3.52Å; I95-L118 HydrophobicContact CG2-CD2 4.29Å; I95-F135 HydrophobicContact CD1-CE1 4.07Å; I95-F135 HydrophobicContact CD1-CZ 4.4Å |
| 96 | P | 86.9 | Confident | 84.1 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 134.2 | 171.2 | -23.1 | 33.9 | 0 | 0 | 0 | 110.7 | ||
| 97 | A | 84.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | trans | -132 | 69.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S76 I78 I95 Y99 L120 | S76-A97 CarbonylContact C-O 3.52Å; S76-A97 WeakPolarHBondContact CA-O 3.33Å; S76-A97 WeakPolarHBondContact CB-O 3.34Å; S76-A97 CarbonylContact O-C 3.58Å; S76-A97 PolarHBondContact O-N 2.87Å; I78-A97 HydrophobicContact CD1-CB 4.03Å; I78-A97 HydrophobicContact CG1-CB 3.86Å; I95-A97 PolarHBondContact O-N 2.88Å; A97-Y99 PolarHBondContact O-N 2.87Å; A97-L120 HydrophobicContact CB-CD1 4.12Å | ||
| 98 | P | 72.3 | Confident | 84.6 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 47% | 0.468 | 29% | 0.291 | S | S | . | . | trans | -53.1 | -29.5 | -172.2 | 20.7 | -32.2 | 0 | 0 | 0 | 113.7 | S76 T100 | S76-P98 PolarHBondContact OG-O 2.85Å; S76-P98 VanDerWaalsContact OG-O 3.05Å; P98-T100 WeakPolarHBondContact O-CG2 3.28Å; P98-T100 PolarHBondContact O-N 3.37Å | ||
| 99 | Y | 68 | Low | 84.6 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | trans | -45.8 | 110.8 | -177.2 | -171.9 | -109.4 | 0 | 0 | 0 | 113.9 | A97 G101 C103 P121 E123 N158 I159 | A97-Y99 PolarHBondContact O-N 2.87Å; Y99-G101 VanDerWaalsContact C-N 3.26Å; Y99-G101 PolarHBondContact O-N 3.26Å; Y99-C103 HydrophobicContact CE1-CB 4.21Å; Y99-P121 HydrophobicContact CD1-CB 4.02Å; Y99-P121 HydrophobicContact CD1-CG 3.53Å; Y99-P121 HydrophobicContact CE1-CB 4.07Å; Y99-P121 HydrophobicContact CE1-CG 3.81Å; Y99-P121 HydrophobicContact CG-CB 4.33Å; Y99-P121 HydrophobicContact CG-CG 4.17Å; Y99-E123 HydrophobicContact CD2-CB 4.13Å; Y99-N158 WeakPolarHBondContact OH-CB 3.29Å; Y99-N158 PolarHBondContact OH-OD1 2.84Å; Y99-I159 PolarHBondContact OH-N 3.43Å; Y99-I159 PolarHBondContact OH-O 3.47Å | ||
| 100 | T | 58.6 | Low | 84.6 | Confident | 112 Ų | 112 | 50.9 Ų | 50.9 | 69% | 0.687 | 28% | 0.282 | S | S | * | . | trans | -84 | 4.1 | -176.8 | 59 | 0 | 0 | 0 | 0 | 113.9 | P98 | P98-T100 WeakPolarHBondContact O-CG2 3.28Å; P98-T100 PolarHBondContact O-N 3.37Å | ||
| 101 | G | 64.6 | Low | 84.5 | Confident | 13 Ų | 13 | 51 Ų | 51 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -75.5 | -171.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y99 | Y99-G101 VanDerWaalsContact C-N 3.26Å; Y99-G101 PolarHBondContact O-N 3.26Å |
| 102 | F | 74 | Confident | 84.3 | Confident | 127 Ų | 127 | 50.1 Ų | 50.1 | 56% | 0.557 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -92.6 | -11.2 | -174.2 | -65.6 | -86.8 | 0 | 0 | 0 | 113.7 | F160 | F102-F160 HydrophobicContact CB-CD1 4.13Å; F102-F160 AromaticContact CD2-CD1 3.91Å; F102-F160 HydrophobicContact CD2-CD1 3.91Å; F102-F160 AromaticContact CD2-CE1 3.47Å; F102-F160 HydrophobicContact CD2-CE1 3.47Å; F102-F160 VanDerWaalsContact CD2-CE1 3.47Å; F102-F160 HydrophobicContact CD2-CZ 4.43Å; F102-F160 HydrophobicContact CE2-CE1 4.09Å; F102-F160 HydrophobicContact CG-CD1 4.4Å; F102-F160 HydrophobicContact CG-CE1 4.36Å |
| 103 | C | 82.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 138.7 | -174.3 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | Y99 P121 I159 L162 | Y99-C103 HydrophobicContact CE1-CB 4.21Å; C103-P121 HydrophobicContact CB-CG 3.92Å; C103-I159 HydrophobicContact CB-CG2 4.25Å; C103-I159 WeakPolarHBondContact CB-O 3.3Å; C103-L162 WeakPolarHBondContact SG-CB 3.33Å |
| 104 | A | 85.6 | Confident | 84.1 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 22% | 0.223 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 150.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | F106 | A104-F106 HydrophobicContact CB-CE2 4.26Š|
| 105 | A | 90 | Very high | 84.1 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 158.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S61 W70 H72 I78 L118 I119 L120 | S61-A105 PolarHBondContact OG-O 2.84Å; W70-A105 WeakPolarHBondContact CH2-O 3.45Å; H72-A105 HydrophobicContact CB-CB 4.34Å; H72-A105 PolarHBondContact ND1-N 2.8Å; I78-A105 HydrophobicContact CD1-CB 3.63Å; A105-L118 HydrophobicContact CB-CD1 3.85Å; A105-I119 WeakPolarHBondContact CA-O 3.21Å; A105-L120 HydrophobicContact CB-CB 4.03Å |
| 106 | F | 91.3 | Very high | 84.3 | Confident | 66 Ų | 66 | 44 Ų | 44 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.2 | 177.9 | -71.2 | -100.3 | 0 | 0 | 0 | 110.2 | A104 F108 L118 I119 L162 P164 | A104-F106 HydrophobicContact CB-CE2 4.26Å; F106-F108 HydrophobicContact CB-CD1 4.43Å; F106-L118 CarbonylContact O-C 3.46Å; F106-L118 WeakPolarHBondContact O-CA 3.41Å; F106-I119 PolarHBondContact N-O 2.81Å; F106-I119 PolarHBondContact O-N 3.38Å; F106-L162 HydrophobicContact CD2-CD2 3.51Å; F106-L162 HydrophobicContact CE2-CB 4.36Å; F106-L162 HydrophobicContact CE2-CD2 3.9Å; F106-L162 WeakPolarHBondContact CE2-O 3.44Å; F106-L162 HydrophobicContact CG-CD2 4.37Å; F106-L162 WeakPolarHBondContact CZ-O 3.4Å; F106-P164 HydrophobicContact CB-CG 3.85Å; F106-P164 HydrophobicContact CD1-CG 4.38Å; F106-P164 HydrophobicContact CD2-CG 4.49Å; F106-P164 HydrophobicContact CG-CG 4Å |
| 107 | V | 92.9 | Very high | 84.7 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.4 | 169 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | F65 W70 F80 V117 L118 F135 | F65-V107 HydrophobicContact CB-CG1 4.14Å; W70-V107 HydrophobicContact CD2-CB 4.07Å; W70-V107 HydrophobicContact CD2-CG2 3.6Å; W70-V107 HydrophobicContact CE3-CG2 4.03Å; W70-V107 HydrophobicContact CG-CB 4.24Å; W70-V107 HydrophobicContact CG-CG2 3.91Å; W70-V107 HydrophobicContact CH2-CG2 4.47Å; W70-V107 HydrophobicContact CZ2-CB 4.01Å; W70-V107 HydrophobicContact CZ2-CG2 4.06Å; W70-V107 HydrophobicContact CZ3-CG2 4.44Å; F80-V107 HydrophobicContact CE1-CG1 4.46Å; F80-V107 HydrophobicContact CE1-CG2 3.98Å; F80-V107 HydrophobicContact CZ-CG2 4.05Å; V107-V117 VanDerWaalsContact CA-O 3.3Å; V107-V117 WeakPolarHBondContact CA-O 3.36Å; V107-L118 HydrophobicContact CG2-CB 4.1Å; V107-L118 HydrophobicContact CG2-CD1 3.74Å; V107-L118 HydrophobicContact CG2-CG 4.47Å; V107-F135 HydrophobicContact CG1-CE2 3.88Å; V107-F135 HydrophobicContact CG1-CZ 4.49Å |
| 108 | F | 92.4 | Very high | 85.1 | Confident | 51 Ų | 51 | 39.2 Ų | 39.2 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 165.3 | -179.9 | 66 | -76 | 0 | 0 | 0 | 110.5 | F106 E116 V117 I119 P164 L175 | F106-F108 HydrophobicContact CB-CD1 4.43Å; F108-E116 WeakPolarHBondContact O-CA 3.44Å; F108-V117 HydrophobicContact CD1-CG2 4.16Å; F108-V117 HydrophobicContact CE1-CG2 3.67Å; F108-V117 HydrophobicContact CE2-CG2 4.11Å; F108-V117 HydrophobicContact CZ-CG2 3.63Å; F108-V117 PolarHBondContact N-O 3.01Å; F108-V117 VanDerWaalsContact N-O 3.08Å; F108-V117 PolarHBondContact O-N 3.05Å; F108-I119 HydrophobicContact CE1-CD1 3.73Å; F108-I119 HydrophobicContact CE1-CG1 4Å; F108-I119 HydrophobicContact CZ-CD1 3.92Å; F108-P164 HydrophobicContact CD1-CB 4.36Å; F108-P164 HydrophobicContact CD1-CG 4.18Å; F108-P164 HydrophobicContact CE1-CB 3.51Å; F108-P164 HydrophobicContact CE1-CG 3.55Å; F108-P164 HydrophobicContact CE2-CB 4.33Å; F108-P164 HydrophobicContact CZ-CB 3.51Å; F108-P164 HydrophobicContact CZ-CG 4.1Å; F108-L175 HydrophobicContact CE2-CD1 4.15Å; F108-L175 HydrophobicContact CZ-CD1 3.67Å; F108-L175 HydrophobicContact CZ-CD2 4.34Å |
| 109 | N | 91.4 | Very high | 86.1 | Confident | 106 Ų | 106 | 35.8 Ų | 35.8 | 57% | 0.567 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 115.3 | 171.1 | -169 | -74.6 | 0 | 0 | 0 | 109 | E116 | N109-E116 HydrophobicContact CB-CG 4.15Å |
| 110 | S | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.6 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | S112 V113 G114 E115 E166 | S110-S112 VanDerWaalsContact C-N 3.3Å; S110-V113 WeakPolarHBondContact OG-CG2 3.33Å; S110-V113 PolarHBondContact OG-N 2.8Å; S110-G114 WeakPolarHBondContact O-CA 3.41Å; S110-G114 PolarHBondContact O-N 2.86Å; S110-E115 PolarHBondContact N-O 3.4Å; S110-E115 PolarHBondContact O-N 2.87Å; S110-E115 VanDerWaalsContact O-N 3.17Å; S110-E166 WeakPolarHBondContact CB-OE2 2.96Å; S110-E166 PolarHBondContact OG-OE2 2.74Å |
| 111 | A | 91.5 | Very high | 88.4 | Confident | 62 Ų | 62 | 30.4 Ų | 30.4 | 51% | 0.512 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -32 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G114 E166 H168 | A111-G114 PolarHBondContact O-N 3.5Å; A111-E166 PolarHBondContact N-OE1 2.87Å; A111-H168 VanDerWaalsContact CB-NE2 3.31Å; A111-H168 WeakPolarHBondContact CB-NE2 3.43Å |
| 112 | S | 90.1 | Very high | 89.1 | Confident | 48 Ų | 48 | 33.1 Ų | 33.1 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -38.3 | 177.8 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | S110 E166 H168 S174 L175 | S110-S112 VanDerWaalsContact C-N 3.3Å; S112-E166 WeakPolarHBondContact CA-OE1 3.15Å; S112-E166 WeakPolarHBondContact CB-OE1 2.97Å; S112-E166 PolarHBondContact N-OE1 3.14Å; S112-E166 PolarHBondContact OG-OE1 3.01Å; S112-H168 PolarHBondContact OG-CE1 2.94Å; S112-S174 VanDerWaalsContact OG-CA 3.27Å; S112-S174 WeakPolarHBondContact OG-CA 3.36Å; S112-L175 PolarHBondContact OG-N 3.09Å |
| 113 | V | 88.3 | Confident | 89.1 | Confident | 24 Ų | 24 | 32.1 Ų | 32.1 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -27.6 | 173.2 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | S110 E115 V117 L175 | S110-V113 WeakPolarHBondContact OG-CG2 3.33Å; S110-V113 PolarHBondContact OG-N 2.8Å; V113-E115 HydrophobicContact CG1-CG 3.85Å; V113-V117 HydrophobicContact CB-CG1 3.97Å; V113-V117 HydrophobicContact CG1-CG1 3.81Å; V113-V117 HydrophobicContact CG2-CG1 4.06Å; V113-L175 HydrophobicContact CG2-CD2 4.17Å |
| 114 | G | 88.9 | Confident | 88.7 | Confident | 61 Ų | 61 | 34.1 Ų | 34.1 | 63% | 0.629 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 17.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | S110 A111 | S110-G114 WeakPolarHBondContact O-CA 3.41Å; S110-G114 PolarHBondContact O-N 2.86Å; A111-G114 PolarHBondContact O-N 3.5Å |
| 115 | E | 92.1 | Very high | 87.8 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 168.6 | -164.1 | 103.5 | 178.8 | 89.7 | 0 | 0 | 111 | S110 V113 V117 C134 Q136 R137 | S110-E115 PolarHBondContact N-O 3.4Å; S110-E115 PolarHBondContact O-N 2.87Å; S110-E115 VanDerWaalsContact O-N 3.17Å; V113-E115 HydrophobicContact CG1-CG 3.85Å; E115-V117 HydrophobicContact CG-CG1 4.21Å; E115-C134 VanDerWaalsContact CD-CB 3.43Å; E115-C134 HydrophobicContact CG-CB 4.26Å; E115-C134 WeakPolarHBondContact OE1-CB 3.24Å; E115-C134 PolarHBondContact OE1-SG 3.28Å; E115-C134 WeakPolarHBondContact OE2-CB 3.4Å; E115-Q136 HydrophobicContact CB-CB 4.46Å; E115-Q136 HydrophobicContact CB-CG 4.45Å; E115-Q136 VanDerWaalsContact OE2-CA 3.3Å; E115-Q136 WeakPolarHBondContact OE2-CA 3.32Å; E115-Q136 VanDerWaalsContact OE2-CB 3.24Å; E115-Q136 WeakPolarHBondContact OE2-CB 3.34Å; E115-Q136 PolarHBondContact OE2-N 3.16Å; E115-Q136 PolarHBondContact OE2-OE1 2.91Å; E115-R137 WeakPolarHBondContact OE1-CD 3.25Å; E115-R137 VanDerWaalsContact OE1-CG 3.32Å; E115-R137 WeakPolarHBondContact OE1-CG 3.3Å; E115-R137 IonicContact OE1-CZ 2.76Å; E115-R137 IonicContact OE1-NE 3.59Å; E115-R137 PolarHBondContact OE1-NE 3.36Å; E115-R137 PolarHBondContact OE2-N 2.82Å |
| 116 | E | 93.1 | Very high | 86.6 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 133 | 173 | -76.4 | 179.3 | 116 | 0 | 0 | 109.3 | F65 K66 F108 N109 F135 | F65-E116 WeakPolarHBondContact CA-OE1 3.26Å; F65-E116 WeakPolarHBondContact CB-OE1 3.35Å; K66-E116 WeakPolarHBondContact CB-OE2 3.45Å; K66-E116 PolarHBondContact N-OE1 3.34Å; F108-E116 WeakPolarHBondContact O-CA 3.44Å; N109-E116 HydrophobicContact CB-CG 4.15Å; E116-F135 HydrophobicContact CB-CD2 4Å; E116-F135 VanDerWaalsContact O-CD2 3.28Å; E116-F135 WeakPolarHBondContact O-CD2 3.18Å; E116-F135 PolarHBondContact O-N 3.45Å; E116-F135 VanDerWaalsContact O-N 3.13Å |
| 117 | V | 94.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.2 | -178.6 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | V107 F108 V113 E115 I119 V132 H133 | V107-V117 VanDerWaalsContact CA-O 3.3Å; V107-V117 WeakPolarHBondContact CA-O 3.36Å; F108-V117 HydrophobicContact CD1-CG2 4.16Å; F108-V117 HydrophobicContact CE1-CG2 3.67Å; F108-V117 HydrophobicContact CE2-CG2 4.11Å; F108-V117 HydrophobicContact CZ-CG2 3.63Å; F108-V117 PolarHBondContact N-O 3.01Å; F108-V117 VanDerWaalsContact N-O 3.08Å; F108-V117 PolarHBondContact O-N 3.05Å; V113-V117 HydrophobicContact CB-CG1 3.97Å; V113-V117 HydrophobicContact CG1-CG1 3.81Å; V113-V117 HydrophobicContact CG2-CG1 4.06Å; E115-V117 HydrophobicContact CG-CG1 4.21Å; V117-I119 HydrophobicContact CG2-CG1 4.49Å; V117-V132 HydrophobicContact CB-CG1 4.08Å; V117-V132 HydrophobicContact CG1-CG1 4.19Å; V117-H133 CarbonylContact C-O 3.57Å; V117-H133 VanDerWaalsContact CA-O 3.24Å; V117-H133 WeakPolarHBondContact CA-O 3.22Å |
| 118 | L | 93.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.8 | 165.8 | 160.4 | 66.4 | 0 | 0 | 0 | 107.9 | I78 F80 I95 A105 F106 V107 L120 V132 H133 F135 | I78-L118 HydrophobicContact CD1-CD1 3.83Å; I78-L118 HydrophobicContact CD1-CD2 3.97Å; F80-L118 HydrophobicContact CZ-CD2 4.4Å; I95-L118 HydrophobicContact CD1-CD2 3.52Å; I95-L118 HydrophobicContact CG2-CD2 4.29Å; A105-L118 HydrophobicContact CB-CD1 3.85Å; F106-L118 CarbonylContact O-C 3.46Å; F106-L118 WeakPolarHBondContact O-CA 3.41Å; V107-L118 HydrophobicContact CG2-CB 4.1Å; V107-L118 HydrophobicContact CG2-CD1 3.74Å; V107-L118 HydrophobicContact CG2-CG 4.47Å; L118-L120 HydrophobicContact CD1-CD2 4.23Å; L118-L120 HydrophobicContact CD2-CD2 3.8Å; L118-L120 HydrophobicContact CG-CD2 3.68Å; L118-V132 CarbonylContact O-C 3.46Å; L118-V132 WeakPolarHBondContact O-CA 3.19Å; L118-H133 HydrophobicContact CB-CB 4.16Å; L118-H133 HydrophobicContact CD2-CB 4.43Å; L118-H133 PolarHBondContact N-O 3.07Å; L118-H133 PolarHBondContact O-N 2.86Å; L118-F135 HydrophobicContact CB-CE2 3.72Å; L118-F135 HydrophobicContact CB-CZ 3.74Å; L118-F135 HydrophobicContact CD2-CZ 4.46Å |
| 119 | I | 92.7 | Very high | 84 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.8 | 169.8 | -53.5 | -173.8 | 0 | 0 | 0 | 108.3 | A105 F106 F108 V117 T131 V132 L162 P164 L175 V177 | A105-I119 WeakPolarHBondContact CA-O 3.21Å; F106-I119 PolarHBondContact N-O 2.81Å; F106-I119 PolarHBondContact O-N 3.38Å; F108-I119 HydrophobicContact CE1-CD1 3.73Å; F108-I119 HydrophobicContact CE1-CG1 4Å; F108-I119 HydrophobicContact CZ-CD1 3.92Å; V117-I119 HydrophobicContact CG2-CG1 4.49Å; I119-T131 WeakPolarHBondContact CA-O 3.33Å; I119-V132 HydrophobicContact CD1-CG2 4.44Å; I119-V132 HydrophobicContact CG1-CG1 4.47Å; I119-V132 HydrophobicContact CG1-CG2 4.24Å; I119-L162 HydrophobicContact CB-CD2 4.42Å; I119-L162 HydrophobicContact CG2-CD1 3.85Å; I119-L162 HydrophobicContact CG2-CD2 3.9Å; I119-L162 HydrophobicContact CG2-CG 4.49Å; I119-P164 HydrophobicContact CD1-CB 4.04Å; I119-P164 HydrophobicContact CD1-CG 4.01Å; I119-L175 HydrophobicContact CD1-CD1 4.33Å; I119-L175 HydrophobicContact CD1-CD2 3.99Å; I119-V177 HydrophobicContact CD1-CG2 3.86Å |
| 120 | L | 88.9 | Confident | 83.7 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147 | 174.4 | 65.6 | 147.5 | 0 | 0 | 0 | 111.2 | A97 A105 L118 I130 T131 | A97-L120 HydrophobicContact CB-CD1 4.12Å; A105-L120 HydrophobicContact CB-CB 4.03Å; L118-L120 HydrophobicContact CD1-CD2 4.23Å; L118-L120 HydrophobicContact CD2-CD2 3.8Å; L118-L120 HydrophobicContact CG-CD2 3.68Å; L120-I130 CarbonylContact O-C 3.57Å; L120-I130 WeakPolarHBondContact O-CA 3.44Å; L120-T131 HydrophobicContact CD2-CG2 4.34Å; L120-T131 PolarHBondContact N-O 3.17Å; L120-T131 VanDerWaalsContact N-O 3.09Å; L120-T131 PolarHBondContact O-N 3.37Å |
| 121 | P | 85 | Confident | 83.5 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 145.2 | 162.8 | 32.2 | -36 | 0 | 0 | 0 | 109.9 | Y99 C103 V129 I159 | Y99-P121 HydrophobicContact CD1-CB 4.02Å; Y99-P121 HydrophobicContact CD1-CG 3.53Å; Y99-P121 HydrophobicContact CE1-CB 4.07Å; Y99-P121 HydrophobicContact CE1-CG 3.81Å; Y99-P121 HydrophobicContact CG-CB 4.33Å; Y99-P121 HydrophobicContact CG-CG 4.17Å; C103-P121 HydrophobicContact CB-CG 3.92Å; P121-V129 WeakPolarHBondContact CA-O 3.28Å; P121-I159 HydrophobicContact CB-CB 4.13Å; P121-I159 HydrophobicContact CB-CD1 3.83Å; P121-I159 HydrophobicContact CB-CG2 4.44Å |
| 122 | E | 80.8 | Confident | 83.3 | Confident | 71 Ų | 71 | 34.1 Ų | 34.1 | 33% | 0.332 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 151.1 | 171 | -68.7 | -168.4 | 162.2 | 0 | 0 | 111.3 | V129 T131 | E122-V129 HydrophobicContact CB-CB 4.06Å; E122-V129 HydrophobicContact CB-CG1 4.01Å; E122-V129 HydrophobicContact CG-CG1 4.33Å; E122-V129 PolarHBondContact N-O 3.48Å; E122-V129 WeakPolarHBondContact OE2-CG1 3.29Å; E122-T131 VanDerWaalsContact OE1-CB 3.26Å; E122-T131 WeakPolarHBondContact OE1-CB 3.39Å; E122-T131 PolarHBondContact OE1-OG1 2.83Å; E122-T131 PolarHBondContact OE2-OG1 3Å |
| 123 | E | 74 | Confident | 83.3 | Confident | 105 Ų | 105 | 32.8 Ų | 32.8 | 49% | 0.491 | 18% | 0.182 | S | C | . | . | trans | -72.6 | 127.7 | 168.4 | -165.8 | 174.6 | 178 | 0 | 0 | 109.1 | Y99 | Y99-E123 HydrophobicContact CD2-CB 4.13Š| ||
| 124 | S | 72.9 | Confident | 83.2 | Confident | 45 Ų | 45 | 31.9 Ų | 31.9 | 32% | 0.315 | 18% | 0.176 | S | C | . | . | trans | -154.2 | 133.7 | -178.6 | 160.6 | 0 | 0 | 0 | 0 | 107.7 | D126 W127 | S124-D126 VanDerWaalsContact C-N 3.34Å; S124-D126 PolarHBondContact OG-N 3.33Å; S124-W127 WeakPolarHBondContact CB-O 3.36Å; S124-W127 PolarHBondContact OG-N 2.79Å; S124-W127 PolarHBondContact OG-O 2.98Å | ||
| 125 | N | 67.6 | Low | 83.1 | Confident | 138 Ų | 138 | 30.4 Ų | 30.4 | 74% | 0.738 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -79.5 | -21.1 | -179.4 | -67.9 | -23.2 | 0 | 0 | 0 | 112.4 | ||
| 126 | D | 64.8 | Low | 82.8 | Confident | 93 Ų | 93 | 35 Ų | 35 | 50% | 0.497 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -105.2 | -38.3 | -167.4 | -59 | -37.6 | 0 | 0 | 0 | 112.4 | S124 | S124-D126 VanDerWaalsContact C-N 3.34Å; S124-D126 PolarHBondContact OG-N 3.33Å |
| 127 | W | 66.9 | Low | 82.4 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -148.1 | 150.3 | -167.4 | -59.6 | -53.2 | 0 | 0 | 0 | 111.7 | S124 V129 T145 | S124-W127 WeakPolarHBondContact CB-O 3.36Å; S124-W127 PolarHBondContact OG-N 2.79Å; S124-W127 PolarHBondContact OG-O 2.98Å; W127-V129 PolarHBondContact O-N 3.12Å; W127-T145 WeakPolarHBondContact CB-OG1 3.41Å; W127-T145 VanDerWaalsContact CD1-OG1 3.29Å |
| 128 | A | 73.4 | Confident | 82 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | trans | -60.3 | 128.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T145 I159 W189 | A128-T145 HydrophobicContact CB-CG2 3.95Å; A128-T145 WeakPolarHBondContact O-CG2 3.45Å; A128-T145 PolarHBondContact O-N 3.09Å; A128-I159 HydrophobicContact CB-CD1 4.15Å; A128-I159 HydrophobicContact CB-CG1 4.09Å; A128-W189 HydrophobicContact CB-CZ2 4.35Å; A128-W189 WeakPolarHBondContact O-CH2 3.46Å | ||
| 129 | V | 80 | Confident | 81.7 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.7 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | P121 E122 W127 L143 K144 | P121-V129 WeakPolarHBondContact CA-O 3.28Å; E122-V129 HydrophobicContact CB-CB 4.06Å; E122-V129 HydrophobicContact CB-CG1 4.01Å; E122-V129 HydrophobicContact CG-CG1 4.33Å; E122-V129 PolarHBondContact N-O 3.48Å; E122-V129 WeakPolarHBondContact OE2-CG1 3.29Å; W127-V129 PolarHBondContact O-N 3.12Å; V129-L143 WeakPolarHBondContact CA-O 3.26Å; V129-K144 HydrophobicContact CG1-CG 4.27Å; V129-K144 HydrophobicContact CG2-CB 4.43Å; V129-K144 HydrophobicContact CG2-CD 4.47Å; V129-K144 HydrophobicContact CG2-CG 3.93Å |
| 130 | I | 85.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.7 | 167.2 | 61.4 | 173.8 | 0 | 0 | 0 | 108.9 | L120 S142 L143 I159 L162 V177 L179 W189 | L120-I130 CarbonylContact O-C 3.57Å; L120-I130 WeakPolarHBondContact O-CA 3.44Å; I130-S142 CarbonylContact O-C 3.54Å; I130-S142 WeakPolarHBondContact O-CA 3.44Å; I130-L143 HydrophobicContact CD1-CB 4.4Å; I130-L143 HydrophobicContact CD1-CD1 3.65Å; I130-L143 HydrophobicContact CG1-CB 3.73Å; I130-L143 HydrophobicContact CG1-CD1 3.74Å; I130-L143 HydrophobicContact CG1-CG 4.29Å; I130-L143 PolarHBondContact N-O 2.87Å; I130-L143 VanDerWaalsContact N-O 3.13Å; I130-L143 PolarHBondContact O-N 3.22Å; I130-I159 HydrophobicContact CG2-CD1 3.57Å; I130-L162 HydrophobicContact CG2-CD1 3.75Å; I130-V177 HydrophobicContact CD1-CB 3.88Å; I130-V177 HydrophobicContact CD1-CG1 3.95Å; I130-V177 HydrophobicContact CD1-CG2 3.92Å; I130-L179 HydrophobicContact CG2-CD1 3.87Å; I130-L179 HydrophobicContact CG2-CD2 3.99Å; I130-W189 HydrophobicContact CD1-CD2 4.49Å; I130-W189 HydrophobicContact CD1-CE3 4.47Å |
| 131 | T | 87.8 | Confident | 81.2 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.7 | 174.2 | -77.9 | 0 | 0 | 0 | 0 | 109.9 | I119 L120 E122 Y141 S142 | I119-T131 WeakPolarHBondContact CA-O 3.33Å; L120-T131 HydrophobicContact CD2-CG2 4.34Å; L120-T131 PolarHBondContact N-O 3.17Å; L120-T131 VanDerWaalsContact N-O 3.09Å; L120-T131 PolarHBondContact O-N 3.37Å; E122-T131 VanDerWaalsContact OE1-CB 3.26Å; E122-T131 WeakPolarHBondContact OE1-CB 3.39Å; E122-T131 PolarHBondContact OE1-OG1 2.83Å; E122-T131 PolarHBondContact OE2-OG1 3Å; T131-Y141 WeakPolarHBondContact CA-O 3.3Å; T131-S142 PolarHBondContact OG1-OG 2.88Å |
| 132 | V | 88.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.2 | 169.3 | -174.2 | 0 | 0 | 0 | 0 | 107.3 | V117 L118 I119 S140 Y141 L143 V191 | V117-V132 HydrophobicContact CB-CG1 4.08Å; V117-V132 HydrophobicContact CG1-CG1 4.19Å; L118-V132 CarbonylContact O-C 3.46Å; L118-V132 WeakPolarHBondContact O-CA 3.19Å; I119-V132 HydrophobicContact CD1-CG2 4.44Å; I119-V132 HydrophobicContact CG1-CG1 4.47Å; I119-V132 HydrophobicContact CG1-CG2 4.24Å; V132-S140 VanDerWaalsContact O-CA 3.32Å; V132-S140 WeakPolarHBondContact O-CA 3.35Å; V132-Y141 HydrophobicContact CB-CD1 4.4Å; V132-Y141 HydrophobicContact CB-CD2 4.37Å; V132-Y141 HydrophobicContact CB-CE1 3.88Å; V132-Y141 HydrophobicContact CB-CE2 3.85Å; V132-Y141 HydrophobicContact CG1-CE1 3.96Å; V132-Y141 HydrophobicContact CG1-CE2 4.47Å; V132-Y141 WeakPolarHBondContact CG1-OH 3.38Å; V132-Y141 HydrophobicContact CG2-CE2 3.98Å; V132-Y141 PolarHBondContact N-O 3.08Å; V132-Y141 PolarHBondContact O-N 2.95Å; V132-L143 HydrophobicContact CG2-CD1 4.22Å; V132-V191 HydrophobicContact CG2-CG1 4.21Å |
| 133 | H | 89.3 | Confident | 81.4 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.6 | 174.7 | -179.3 | 77.5 | 0 | 0 | 0 | 110.1 | V117 L118 F135 S140 | V117-H133 CarbonylContact C-O 3.57Å; V117-H133 VanDerWaalsContact CA-O 3.24Å; V117-H133 WeakPolarHBondContact CA-O 3.22Å; L118-H133 HydrophobicContact CB-CB 4.16Å; L118-H133 HydrophobicContact CD2-CB 4.43Å; L118-H133 PolarHBondContact N-O 3.07Å; L118-H133 PolarHBondContact O-N 2.86Å; H133-F135 AromaticContact CD2-CD1 3.88Å; H133-F135 AromaticContact CD2-CE1 3.78Å; H133-F135 AromaticContact NE2-CD1 3.97Å; H133-S140 PolarHBondContact ND1-OG 2.9Å |
| 134 | C | 86.9 | Confident | 81.7 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.034 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 113.1 | 178.9 | -74.9 | 0 | 0 | 0 | 0 | 110.1 | E115 R137 Q138 L139 | E115-C134 VanDerWaalsContact CD-CB 3.43Å; E115-C134 HydrophobicContact CG-CB 4.26Å; E115-C134 WeakPolarHBondContact OE1-CB 3.24Å; E115-C134 PolarHBondContact OE1-SG 3.28Å; E115-C134 WeakPolarHBondContact OE2-CB 3.4Å; C134-R137 HydrophobicContact CB-CB 4.11Å; C134-Q138 WeakPolarHBondContact O-CA 3.48Å; C134-Q138 PolarHBondContact O-N 2.87Å; C134-L139 WeakPolarHBondContact CB-O 3.45Å; C134-L139 PolarHBondContact N-O 3.17Å; C134-L139 PolarHBondContact O-N 3.37Å |
| 135 | F | 86.5 | Confident | 81.5 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 13% | 0.132 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -37.6 | -173.9 | -72.7 | -75.6 | 0 | 0 | 0 | 113.7 | F80 I95 V107 E116 L118 H133 Q138 | F80-F135 HydrophobicContact CD1-CE1 4.41Å; F80-F135 HydrophobicContact CD1-CZ 4.37Å; F80-F135 AromaticContact CE1-CE1 3.89Å; F80-F135 HydrophobicContact CE1-CE1 3.89Å; F80-F135 HydrophobicContact CE1-CE2 4.33Å; F80-F135 AromaticContact CE1-CZ 3.46Å; F80-F135 HydrophobicContact CE1-CZ 3.46Å; F80-F135 VanDerWaalsContact CE1-CZ 3.46Å; F80-F135 HydrophobicContact CE2-CE1 4.24Å; F80-F135 HydrophobicContact CE2-CZ 4.21Å; F80-F135 AromaticContact CZ-CE1 3.83Å; F80-F135 HydrophobicContact CZ-CE1 3.83Å; F80-F135 HydrophobicContact CZ-CE2 4.5Å; F80-F135 AromaticContact CZ-CZ 3.39Å; F80-F135 HydrophobicContact CZ-CZ 3.39Å; I95-F135 HydrophobicContact CD1-CE1 4.07Å; I95-F135 HydrophobicContact CD1-CZ 4.4Å; V107-F135 HydrophobicContact CG1-CE2 3.88Å; V107-F135 HydrophobicContact CG1-CZ 4.49Å; E116-F135 HydrophobicContact CB-CD2 4Å; E116-F135 VanDerWaalsContact O-CD2 3.28Å; E116-F135 WeakPolarHBondContact O-CD2 3.18Å; E116-F135 PolarHBondContact O-N 3.45Å; E116-F135 VanDerWaalsContact O-N 3.13Å; L118-F135 HydrophobicContact CB-CE2 3.72Å; L118-F135 HydrophobicContact CB-CZ 3.74Å; L118-F135 HydrophobicContact CD2-CZ 4.46Å; H133-F135 AromaticContact CD2-CD1 3.88Å; H133-F135 AromaticContact CD2-CE1 3.78Å; H133-F135 AromaticContact NE2-CD1 3.97Å; F135-Q138 PolarHBondContact O-NE2 2.8Å |
| 136 | Q | 86.6 | Confident | 81.4 | Confident | 103 Ų | 103 | 53 Ų | 53 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -39.4 | -179.1 | -67.9 | 78.9 | 4.7 | 0 | 0 | 110.8 | E115 | E115-Q136 HydrophobicContact CB-CB 4.46Å; E115-Q136 HydrophobicContact CB-CG 4.45Å; E115-Q136 VanDerWaalsContact OE2-CA 3.3Å; E115-Q136 WeakPolarHBondContact OE2-CA 3.32Å; E115-Q136 VanDerWaalsContact OE2-CB 3.24Å; E115-Q136 WeakPolarHBondContact OE2-CB 3.34Å; E115-Q136 PolarHBondContact OE2-N 3.16Å; E115-Q136 PolarHBondContact OE2-OE1 2.91Å |
| 137 | R | 84.8 | Confident | 81.4 | Confident | 165 Ų | 165 | 52.4 Ų | 52.4 | 62% | 0.623 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.8 | 178 | -62.6 | -180 | -160.4 | -138.6 | 0.2 | 114.1 | E115 C134 L139 | E115-R137 WeakPolarHBondContact OE1-CD 3.25Å; E115-R137 VanDerWaalsContact OE1-CG 3.32Å; E115-R137 WeakPolarHBondContact OE1-CG 3.3Å; E115-R137 IonicContact OE1-CZ 2.76Å; E115-R137 IonicContact OE1-NE 3.59Å; E115-R137 PolarHBondContact OE1-NE 3.36Å; E115-R137 PolarHBondContact OE2-N 2.82Å; C134-R137 HydrophobicContact CB-CB 4.11Å; R137-L139 HydrophobicContact CB-CB 4.39Å; R137-L139 HydrophobicContact CB-CD1 4.16Å; R137-L139 HydrophobicContact CB-CG 4.31Å; R137-L139 PolarHBondContact O-N 3.49Å |
| 138 | Q | 85.7 | Confident | 81.6 | Confident | 125 Ų | 125 | 49.7 Ų | 49.7 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 42.4 | -174.9 | -62 | -70.6 | -39 | 0 | 0 | 112 | C134 F135 | C134-Q138 WeakPolarHBondContact O-CA 3.48Å; C134-Q138 PolarHBondContact O-N 2.87Å; F135-Q138 PolarHBondContact O-NE2 2.8Å |
| 139 | L | 87.7 | Confident | 81.6 | Confident | 109 Ų | 109 | 56.3 Ų | 56.3 | 57% | 0.571 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.5 | -179.8 | -70.6 | 170.9 | 0 | 0 | 0 | 109.7 | C134 R137 | C134-L139 WeakPolarHBondContact CB-O 3.45Å; C134-L139 PolarHBondContact N-O 3.17Å; C134-L139 PolarHBondContact O-N 3.37Å; R137-L139 HydrophobicContact CB-CB 4.39Å; R137-L139 HydrophobicContact CB-CD1 4.16Å; R137-L139 HydrophobicContact CB-CG 4.31Å; R137-L139 PolarHBondContact O-N 3.49Å |
| 140 | S | 85.5 | Confident | 81.4 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.4 | 169.7 | -63.8 | 0 | 0 | 0 | 0 | 109.4 | V132 H133 | V132-S140 VanDerWaalsContact O-CA 3.32Å; V132-S140 WeakPolarHBondContact O-CA 3.35Å; H133-S140 PolarHBondContact ND1-OG 2.9Å |
| 141 | Y | 84.8 | Confident | 80.7 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.2 | 167.1 | 58.1 | -83.7 | 0 | 0 | 0 | 109.7 | T131 V132 V191 | T131-Y141 WeakPolarHBondContact CA-O 3.3Å; V132-Y141 HydrophobicContact CB-CD1 4.4Å; V132-Y141 HydrophobicContact CB-CD2 4.37Å; V132-Y141 HydrophobicContact CB-CE1 3.88Å; V132-Y141 HydrophobicContact CB-CE2 3.85Å; V132-Y141 HydrophobicContact CG1-CE1 3.96Å; V132-Y141 HydrophobicContact CG1-CE2 4.47Å; V132-Y141 WeakPolarHBondContact CG1-OH 3.38Å; V132-Y141 HydrophobicContact CG2-CE2 3.98Å; V132-Y141 PolarHBondContact N-O 3.08Å; V132-Y141 PolarHBondContact O-N 2.95Å; Y141-V191 HydrophobicContact CE2-CG1 3.8Å; Y141-V191 WeakPolarHBondContact OH-CG1 3.32Å |
| 142 | S | 86.2 | Confident | 79.5 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.9 | -175 | -50.4 | 0 | 0 | 0 | 0 | 109.6 | I130 T131 | I130-S142 CarbonylContact O-C 3.54Å; I130-S142 WeakPolarHBondContact O-CA 3.44Å; T131-S142 PolarHBondContact OG1-OG 2.88Å |
| 143 | L | 83.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.016 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.1 | 172.4 | -63 | 158.3 | 0 | 0 | 0 | 107.4 | V129 I130 V132 W189 V191 E194 | V129-L143 WeakPolarHBondContact CA-O 3.26Å; I130-L143 HydrophobicContact CD1-CB 4.4Å; I130-L143 HydrophobicContact CD1-CD1 3.65Å; I130-L143 HydrophobicContact CG1-CB 3.73Å; I130-L143 HydrophobicContact CG1-CD1 3.74Å; I130-L143 HydrophobicContact CG1-CG 4.29Å; I130-L143 PolarHBondContact N-O 2.87Å; I130-L143 VanDerWaalsContact N-O 3.13Å; I130-L143 PolarHBondContact O-N 3.22Å; V132-L143 HydrophobicContact CG2-CD1 4.22Å; L143-W189 HydrophobicContact CB-CE3 3.7Å; L143-W189 HydrophobicContact CB-CZ3 3.51Å; L143-V191 HydrophobicContact CD1-CB 4.24Å; L143-V191 HydrophobicContact CD1-CG1 4.13Å; L143-V191 HydrophobicContact CD1-CG2 3.81Å; L143-E194 HydrophobicContact CD2-CB 3.71Å; L143-E194 HydrophobicContact CD2-CG 3.9Å |
| 144 | K | 79.6 | Confident | 76.6 | Confident | 111 Ų | 111 | 77.4 Ų | 77.4 | 48% | 0.483 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 149 | -178.9 | -55.6 | -170.4 | 178.5 | -176.9 | 0 | 110.3 | V129 S146 | V129-K144 HydrophobicContact CG1-CG 4.27Å; V129-K144 HydrophobicContact CG2-CB 4.43Å; V129-K144 HydrophobicContact CG2-CD 4.47Å; V129-K144 HydrophobicContact CG2-CG 3.93Å; K144-S146 VanDerWaalsContact C-N 3.25Å; K144-S146 PolarHBondContact O-N 3.02Å |
| 145 | T | 68.6 | Low | 75.2 | Confident | 4 Ų | 4 | 78.1 Ų | 78.1 | 3% | 0.025 | 43% | 0.432 | C | S | . | . | trans | -78.4 | -9.7 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | W127 A128 G147 S148 L151 W189 I196 | W127-T145 WeakPolarHBondContact CB-OG1 3.41Å; W127-T145 VanDerWaalsContact CD1-OG1 3.29Å; A128-T145 HydrophobicContact CB-CG2 3.95Å; A128-T145 WeakPolarHBondContact O-CG2 3.45Å; A128-T145 PolarHBondContact O-N 3.09Å; T145-G147 PolarHBondContact O-N 2.9Å; T145-S148 VanDerWaalsContact O-CB 3.23Å; T145-S148 WeakPolarHBondContact O-CB 3.33Å; T145-S148 PolarHBondContact O-N 2.81Å; T145-L151 VanDerWaalsContact CB-CD1 3.41Å; T145-L151 HydrophobicContact CG2-CD1 3.78Å; T145-W189 HydrophobicContact CG2-CH2 3.3Å; T145-W189 HydrophobicContact CG2-CZ2 3.25Å; T145-W189 HydrophobicContact CG2-CZ3 4.45Å; T145-I196 HydrophobicContact CG2-CD1 3.41Å; T145-I196 VanDerWaalsContact CG2-CD1 3.41Å; T145-I196 HydrophobicContact CG2-CG1 4.46Å | ||
| 146 | S | 65.5 | Low | 73.8 | Confident | 51 Ų | 51 | 83.7 Ų | 83.7 | 36% | 0.357 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 123 | -179.8 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | K144 S148 | K144-S146 VanDerWaalsContact C-N 3.25Å; K144-S146 PolarHBondContact O-N 3.02Å; S146-S148 VanDerWaalsContact C-N 3.32Å |
| 147 | G | 65.5 | Low | 72.6 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 81% | 0.814 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 5.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | T145 T149 | T145-G147 PolarHBondContact O-N 2.9Å; G147-T149 PolarHBondContact O-N 3.36Å |
| 148 | S | 71.8 | Confident | 72.2 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | trans | -61.1 | 124.8 | 171.6 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | T145 S146 V150 L151 | T145-S148 VanDerWaalsContact O-CB 3.23Å; T145-S148 WeakPolarHBondContact O-CB 3.33Å; T145-S148 PolarHBondContact O-N 2.81Å; S146-S148 VanDerWaalsContact C-N 3.32Å; S148-V150 PolarHBondContact OG-N 3.05Å; S148-L151 PolarHBondContact OG-N 2.88Å | ||
| 149 | T | 73.1 | Confident | 72 | Confident | 142 Ų | 142 | 68.8 Ų | 68.8 | 87% | 0.871 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -76.1 | -15.4 | 172.1 | 54 | 0 | 0 | 0 | 0 | 112.7 | G147 | G147-T149 PolarHBondContact O-N 3.36Š|
| 150 | V | 74.8 | Confident | 71.9 | Confident | 55 Ų | 55 | 65 Ų | 65 | 33% | 0.333 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -77.6 | -37.8 | 177 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | S148 I196 E199 | S148-V150 PolarHBondContact OG-N 3.05Å; V150-I196 HydrophobicContact CB-CG2 4.32Å; V150-I196 HydrophobicContact CG1-CG2 4.16Å; V150-I196 WeakPolarHBondContact CG2-O 3.47Å; V150-E199 HydrophobicContact CG1-CB 4.19Å |
| 151 | L | 71.8 | Confident | 72.1 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | trans | -80.7 | 122.5 | 178 | -58.5 | -169.9 | 0 | 0 | 0 | 110.4 | T145 S148 V155 I196 E199 | T145-L151 VanDerWaalsContact CB-CD1 3.41Å; T145-L151 HydrophobicContact CG2-CD1 3.78Å; S148-L151 PolarHBondContact OG-N 2.88Å; L151-V155 HydrophobicContact CD1-CG2 4.06Å; L151-V155 HydrophobicContact CD2-CG2 4.44Å; L151-I196 HydrophobicContact CD1-CD1 3.57Å; L151-I196 HydrophobicContact CD2-CD1 3.91Å; L151-I196 HydrophobicContact CG-CD1 3.7Å; L151-E199 HydrophobicContact CD2-CB 4.2Å; L151-E199 HydrophobicContact CD2-CG 4.34Å; L151-E199 WeakPolarHBondContact CD2-OE2 3.29Å | ||
| 152 | T | 62.5 | Low | 72.5 | Confident | 135 Ų | 135 | 58.9 Ų | 58.9 | 83% | 0.828 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -85.4 | -10.8 | -178.9 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 153 | K | 61.6 | Low | 72.9 | Confident | 159 Ų | 159 | 57.7 Ų | 57.7 | 69% | 0.691 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -142.6 | 149.2 | 177.1 | -64.3 | -176.5 | -179.6 | -178.8 | 0 | 109 | V155 | K153-V155 VanDerWaalsContact O-CG2 3.3Å; K153-V155 WeakPolarHBondContact O-CG2 3.22Å; K153-V155 PolarHBondContact O-N 2.52Å; K153-V155 VanDerWaalsContact O-N 3.07Å |
| 154 | P | 56.2 | Low | 73.5 | Confident | 105 Ų | 105 | 58.7 Ų | 58.7 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | trans | -56.9 | 117.8 | 163.6 | 24.1 | -29.8 | 0 | 0 | 0 | 107.2 | ||||
| 155 | V | 56.5 | Low | 74.2 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | trans | -96.4 | 101.2 | -179.2 | -164.7 | 0 | 0 | 0 | 0 | 107.2 | L151 K153 S157 F183 | L151-V155 HydrophobicContact CD1-CG2 4.06Å; L151-V155 HydrophobicContact CD2-CG2 4.44Å; K153-V155 VanDerWaalsContact O-CG2 3.3Å; K153-V155 WeakPolarHBondContact O-CG2 3.22Å; K153-V155 PolarHBondContact O-N 2.52Å; K153-V155 VanDerWaalsContact O-N 3.07Å; V155-S157 VanDerWaalsContact CG1-CB 3.44Å; V155-S157 VanDerWaalsContact CG1-OG 3.28Å; V155-S157 WeakPolarHBondContact CG1-OG 3.49Å; V155-S157 PolarHBondContact O-N 3.37Å; V155-F183 HydrophobicContact CG1-CD2 3.95Å; V155-F183 HydrophobicContact CG1-CE2 4.32Å | ||
| 156 | E | 56.2 | Low | 75.4 | Confident | 148 Ų | 148 | 55.8 Ų | 55.8 | 69% | 0.692 | 33% | 0.329 | S | S | * | . | trans | -65.4 | 66.1 | 160.8 | -66.9 | 176.4 | -166.8 | 0 | 0 | 108.5 | F183 | E156-F183 WeakPolarHBondContact O-CE2 3.4Š| ||
| 157 | S | 61.9 | Low | 76.6 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | trans | -115.6 | 117.2 | -178.8 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | V155 | V155-S157 VanDerWaalsContact CG1-CB 3.44Å; V155-S157 VanDerWaalsContact CG1-OG 3.28Å; V155-S157 WeakPolarHBondContact CG1-OG 3.49Å; V155-S157 PolarHBondContact O-N 3.37Å | ||
| 158 | N | 77.2 | Confident | 77.8 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | trans | -54.6 | 139.4 | 157.4 | -72.5 | -60.9 | 0 | 0 | 0 | 110.7 | Y99 F160 E182 | Y99-N158 WeakPolarHBondContact OH-CB 3.29Å; Y99-N158 PolarHBondContact OH-OD1 2.84Å; N158-F160 HydrophobicContact CB-CD2 4.07Å; N158-F160 HydrophobicContact CB-CE2 3.57Å; N158-F160 HydrophobicContact CB-CZ 4.36Å; N158-F160 WeakPolarHBondContact O-CD2 3.28Å; N158-E182 HydrophobicContact CB-CB 4.41Å; N158-E182 WeakPolarHBondContact CB-OE2 3.31Å; N158-E182 PolarHBondContact ND2-OE2 2.82Å; N158-E182 PolarHBondContact O-N 3.22Å | ||
| 159 | I | 82.2 | Confident | 78.7 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119.4 | 172 | -61.2 | 165 | 0 | 0 | 0 | 107.1 | Y99 C103 P121 A128 I130 S161 L162 L179 | Y99-I159 PolarHBondContact OH-N 3.43Å; Y99-I159 PolarHBondContact OH-O 3.47Å; C103-I159 HydrophobicContact CB-CG2 4.25Å; C103-I159 WeakPolarHBondContact CB-O 3.3Å; P121-I159 HydrophobicContact CB-CB 4.13Å; P121-I159 HydrophobicContact CB-CD1 3.83Å; P121-I159 HydrophobicContact CB-CG2 4.44Å; A128-I159 HydrophobicContact CB-CD1 4.15Å; A128-I159 HydrophobicContact CB-CG1 4.09Å; I130-I159 HydrophobicContact CG2-CD1 3.57Å; I159-S161 WeakPolarHBondContact CG2-O 3.28Å; I159-L162 HydrophobicContact CG2-CB 4.34Å; I159-L179 HydrophobicContact CD1-CD1 3.78Å; I159-L179 HydrophobicContact CD1-CD2 4.4Å; I159-L179 HydrophobicContact CG1-CD1 4.14Å; I159-L179 HydrophobicContact CG2-CB 4.42Å; I159-L179 HydrophobicContact CG2-CD2 3.93Å |
| 160 | F | 85.7 | Confident | 79.7 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -28.2 | 180 | -81.6 | -96 | 0 | 0 | 0 | 112.8 | F102 N158 G180 E182 I206 V207 | F102-F160 HydrophobicContact CB-CD1 4.13Å; F102-F160 AromaticContact CD2-CD1 3.91Å; F102-F160 HydrophobicContact CD2-CD1 3.91Å; F102-F160 AromaticContact CD2-CE1 3.47Å; F102-F160 HydrophobicContact CD2-CE1 3.47Å; F102-F160 VanDerWaalsContact CD2-CE1 3.47Å; F102-F160 HydrophobicContact CD2-CZ 4.43Å; F102-F160 HydrophobicContact CE2-CE1 4.09Å; F102-F160 HydrophobicContact CG-CD1 4.4Å; F102-F160 HydrophobicContact CG-CE1 4.36Å; N158-F160 HydrophobicContact CB-CD2 4.07Å; N158-F160 HydrophobicContact CB-CE2 3.57Å; N158-F160 HydrophobicContact CB-CZ 4.36Å; N158-F160 WeakPolarHBondContact O-CD2 3.28Å; F160-G180 PolarHBondContact N-O 3.38Å; F160-E182 HydrophobicContact CD2-CB 4.11Å; F160-E182 HydrophobicContact CE2-CB 3.64Å; F160-E182 HydrophobicContact CE2-CG 3.76Å; F160-E182 HydrophobicContact CZ-CG 4.44Å; F160-I206 HydrophobicContact CB-CG2 3.63Å; F160-I206 HydrophobicContact CD1-CG2 3.44Å; F160-I206 VanDerWaalsContact CD1-CG2 3.44Å; F160-I206 HydrophobicContact CD2-CG1 4.45Å; F160-I206 HydrophobicContact CD2-CG2 3.59Å; F160-I206 HydrophobicContact CE1-CD1 3.99Å; F160-I206 HydrophobicContact CE1-CG1 4.48Å; F160-I206 HydrophobicContact CE1-CG2 3.88Å; F160-I206 HydrophobicContact CE2-CD1 4.29Å; F160-I206 HydrophobicContact CE2-CG1 4.12Å; F160-I206 HydrophobicContact CE2-CG2 4.03Å; F160-I206 HydrophobicContact CG-CG2 3.25Å; F160-I206 HydrophobicContact CZ-CD1 3.79Å; F160-I206 HydrophobicContact CZ-CG1 4.14Å; F160-I206 HydrophobicContact CZ-CG2 4.16Å; F160-V207 WeakPolarHBondContact CB-O 3.2Å |
| 161 | S | 89.5 | Confident | 80.5 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 144.6 | 172.6 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | I159 L179 G180 V207 L210 | I159-S161 WeakPolarHBondContact CG2-O 3.28Å; S161-L179 CarbonylContact O-C 3.57Å; S161-L179 WeakPolarHBondContact O-CA 3.44Å; S161-G180 PolarHBondContact N-O 2.86Å; S161-G180 PolarHBondContact O-N 3.22Å; S161-G180 WeakPolarHBondContact OG-CA 2.98Å; S161-V207 PolarHBondContact OG-O 3.44Å; S161-L210 WeakPolarHBondContact OG-CD2 3.49Å |
| 162 | L | 92.9 | Very high | 81.6 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138 | 179.5 | -176.7 | 150.7 | 0 | 0 | 0 | 107.6 | C103 F106 I119 I130 I159 P164 V177 L178 L179 | C103-L162 WeakPolarHBondContact SG-CB 3.33Å; F106-L162 HydrophobicContact CD2-CD2 3.51Å; F106-L162 HydrophobicContact CE2-CB 4.36Å; F106-L162 HydrophobicContact CE2-CD2 3.9Å; F106-L162 WeakPolarHBondContact CE2-O 3.44Å; F106-L162 HydrophobicContact CG-CD2 4.37Å; F106-L162 WeakPolarHBondContact CZ-O 3.4Å; I119-L162 HydrophobicContact CB-CD2 4.42Å; I119-L162 HydrophobicContact CG2-CD1 3.85Å; I119-L162 HydrophobicContact CG2-CD2 3.9Å; I119-L162 HydrophobicContact CG2-CG 4.49Å; I130-L162 HydrophobicContact CG2-CD1 3.75Å; I159-L162 HydrophobicContact CG2-CB 4.34Å; L162-P164 HydrophobicContact CD2-CG 4.05Å; L162-V177 HydrophobicContact CD1-CG1 4.11Å; L162-V177 HydrophobicContact CD2-CG1 4.01Å; L162-V177 HydrophobicContact CG-CG1 3.68Å; L162-L178 CarbonylContact C-O 3.56Å; L162-L178 WeakPolarHBondContact CA-O 3.5Å; L162-L179 HydrophobicContact CB-CD2 3.84Å; L162-L179 HydrophobicContact CD1-CD2 3.53Å; L162-L179 HydrophobicContact CG-CD2 3.5Å |
| 163 | L | 95 | Very high | 83 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 112.3 | 175.3 | -179 | 68.3 | 0 | 0 | 0 | 109.8 | I165 L178 L210 F212 | L163-I165 HydrophobicContact CD2-CG2 3.96Å; L163-I165 HydrophobicContact CG-CG2 3.95Å; L163-L178 HydrophobicContact CB-CB 4.31Å; L163-L178 HydrophobicContact CD2-CD1 4.33Å; L163-L178 PolarHBondContact N-O 2.79Å; L163-L178 PolarHBondContact O-N 3.46Å; L163-L210 HydrophobicContact CB-CD1 3.53Å; L163-L210 HydrophobicContact CD2-CD1 3.85Å; L163-L210 HydrophobicContact CG-CD1 4.36Å; L163-F212 HydrophobicContact CD2-CB 3.85Å |
| 164 | P | 95.6 | Very high | 84.5 | Confident | 23 Ų | 23 | 44.9 Ų | 44.9 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133.3 | 167.5 | -12.2 | 29.3 | 0 | 0 | 0 | 109.4 | F106 F108 I119 L162 L175 F176 | F106-P164 HydrophobicContact CB-CG 3.85Å; F106-P164 HydrophobicContact CD1-CG 4.38Å; F106-P164 HydrophobicContact CD2-CG 4.49Å; F106-P164 HydrophobicContact CG-CG 4Å; F108-P164 HydrophobicContact CD1-CB 4.36Å; F108-P164 HydrophobicContact CD1-CG 4.18Å; F108-P164 HydrophobicContact CE1-CB 3.51Å; F108-P164 HydrophobicContact CE1-CG 3.55Å; F108-P164 HydrophobicContact CE2-CB 4.33Å; F108-P164 HydrophobicContact CZ-CB 3.51Å; F108-P164 HydrophobicContact CZ-CG 4.1Å; I119-P164 HydrophobicContact CD1-CB 4.04Å; I119-P164 HydrophobicContact CD1-CG 4.01Å; L162-P164 HydrophobicContact CD2-CG 4.05Å; P164-L175 HydrophobicContact CB-CD1 4.12Å; P164-F176 WeakPolarHBondContact CA-O 3.2Å |
| 165 | I | 94.9 | Very high | 86.3 | Confident | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.4 | 174.2 | 68 | -179.8 | 0 | 0 | 0 | 109.6 | L163 F172 F176 L178 L188 F212 T214 | L163-I165 HydrophobicContact CD2-CG2 3.96Å; L163-I165 HydrophobicContact CG-CG2 3.95Å; I165-F172 HydrophobicContact CD1-CD1 3.66Å; I165-F172 HydrophobicContact CD1-CE1 3.75Å; I165-F172 HydrophobicContact CD1-CG 4.22Å; I165-F172 HydrophobicContact CD1-CZ 4.38Å; I165-F172 HydrophobicContact CG1-CD1 4.31Å; I165-F176 HydrophobicContact CD1-CB 4.08Å; I165-F176 HydrophobicContact CG1-CB 3.6Å; I165-F176 PolarHBondContact N-O 2.85Å; I165-F176 PolarHBondContact O-N 3.3Å; I165-L178 HydrophobicContact CD1-CD1 3.9Å; I165-L178 HydrophobicContact CD1-CG 4.09Å; I165-L178 HydrophobicContact CG2-CD1 3.99Å; I165-L188 HydrophobicContact CD1-CD1 4.03Å; I165-F212 HydrophobicContact CD1-CD1 4.01Å; I165-F212 HydrophobicContact CD1-CE1 4.14Å; I165-F212 HydrophobicContact CG2-CB 4.38Å; I165-F212 HydrophobicContact CG2-CD1 4.24Å; I165-T214 HydrophobicContact CB-CG2 4.19Å |
| 166 | E | 92.6 | Very high | 88.2 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | trans | -155.5 | 119.8 | -179.7 | -170.3 | -176.8 | 163 | 0 | 0 | 109.1 | S110 A111 S112 H168 L175 | S110-E166 WeakPolarHBondContact CB-OE2 2.96Å; S110-E166 PolarHBondContact OG-OE2 2.74Å; A111-E166 PolarHBondContact N-OE1 2.87Å; S112-E166 WeakPolarHBondContact CA-OE1 3.15Å; S112-E166 WeakPolarHBondContact CB-OE1 2.97Å; S112-E166 PolarHBondContact N-OE1 3.14Å; S112-E166 PolarHBondContact OG-OE1 3.01Å; E166-H168 IonicContact OE1-CD2 3.36Å; E166-H168 IonicContact OE1-CE1 2.77Å; E166-H168 IonicContact OE1-NE2 3.49Å; E166-H168 PolarHBondContact OE1-NE2 3.11Å; E166-L175 HydrophobicContact CB-CD1 4.48Å | ||
| 167 | D | 92.1 | Very high | 90 | Very high | 38 Ų | 38 | 32.1 Ų | 32.1 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | trans | -151.7 | 98.4 | 179.1 | -175.5 | -14 | 0 | 0 | 0 | 110 | S169 T170 F172 T214 | D167-S169 PolarHBondContact O-N 3.12Å; D167-S169 VanDerWaalsContact O-N 3.1Å; D167-S169 WeakPolarHBondContact OD1-CB 3.33Å; D167-S169 PolarHBondContact OD1-N 2.82Å; D167-S169 PolarHBondContact OD1-OG 3.22Å; D167-T170 HydrophobicContact CB-CG2 4.22Å; D167-T170 PolarHBondContact O-N 2.87Å; D167-T170 PolarHBondContact O-OG1 2.82Å; D167-T170 WeakPolarHBondContact OD2-CG2 3.35Å; D167-F172 CarbonylContact C-O 3.58Å; D167-F172 PolarHBondContact N-O 3.08Å; D167-F172 CarbonylContact O-C 3.57Å; D167-T214 HydrophobicContact CB-CG2 3.91Å; D167-T214 PolarHBondContact OD2-OG1 2.88Å | ||
| 168 | H | 90.1 | Very high | 91.6 | Very high | 104 Ų | 104 | 31.8 Ų | 31.8 | 48% | 0.481 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.6 | -178.6 | -67.5 | -67.7 | 0 | 0 | 0 | 114.9 | A111 S112 E166 T170 N173 | A111-H168 VanDerWaalsContact CB-NE2 3.31Å; A111-H168 WeakPolarHBondContact CB-NE2 3.43Å; S112-H168 PolarHBondContact OG-CE1 2.94Å; E166-H168 IonicContact OE1-CD2 3.36Å; E166-H168 IonicContact OE1-CE1 2.77Å; E166-H168 IonicContact OE1-NE2 3.49Å; E166-H168 PolarHBondContact OE1-NE2 3.11Å; H168-T170 VanDerWaalsContact C-N 3.3Å; H168-N173 PolarHBondContact CE1-O 3.02Å; H168-N173 PolarHBondContact ND1-O 2.98Å |
| 169 | S | 91.2 | Very high | 92.4 | Very high | 106 Ų | 106 | 28.5 Ų | 28.5 | 74% | 0.741 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -9 | 173.3 | 74.4 | 0 | 0 | 0 | 0 | 113 | D167 | D167-S169 PolarHBondContact O-N 3.12Å; D167-S169 VanDerWaalsContact O-N 3.1Å; D167-S169 WeakPolarHBondContact OD1-CB 3.33Å; D167-S169 PolarHBondContact OD1-N 2.82Å; D167-S169 PolarHBondContact OD1-OG 3.22Å |
| 170 | T | 92.6 | Very high | 92.8 | Very high | 32 Ų | 32 | 28.3 Ų | 28.3 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -120.5 | -173.1 | -175.6 | 74.3 | 0 | 0 | 0 | 0 | 111.4 | D167 H168 F172 N173 | D167-T170 HydrophobicContact CB-CG2 4.22Å; D167-T170 PolarHBondContact O-N 2.87Å; D167-T170 PolarHBondContact O-OG1 2.82Å; D167-T170 WeakPolarHBondContact OD2-CG2 3.35Å; H168-T170 VanDerWaalsContact C-N 3.3Å; T170-F172 PolarHBondContact O-N 2.88Å; T170-F172 PolarHBondContact OG1-N 3.09Å; T170-F172 VanDerWaalsContact OG1-N 3.11Å; T170-N173 WeakPolarHBondContact O-CB 3.19Å |
| 171 | K | 92.8 | Very high | 93 | Very high | 51 Ų | 51 | 26.9 Ų | 26.9 | 22% | 0.222 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -66.6 | -15.7 | 171 | 68.7 | -172.5 | 176.1 | -161.7 | 0 | 113.7 | N173 S217 I233 D234 F237 | K171-N173 PolarHBondContact O-N 2.62Å; K171-N173 VanDerWaalsContact O-N 3.13Å; K171-S217 WeakPolarHBondContact CE-OG 3.37Å; K171-S217 PolarHBondContact NZ-OG 3.34Å; K171-I233 PolarHBondContact NZ-O 2.77Å; K171-D234 WeakPolarHBondContact CE-O 3.49Å; K171-D234 VanDerWaalsContact NZ-C 3.25Å; K171-D234 PolarHBondContact NZ-O 3.25Å; K171-F237 HydrophobicContact CB-CE1 4.47Å; K171-F237 HydrophobicContact CB-CZ 4.48Å; K171-F237 HydrophobicContact CD-CE1 4.29Å; K171-F237 HydrophobicContact CG-CE1 4.09Å |
| 172 | F | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -86.4 | 44.8 | 175.6 | -54.4 | -74.1 | 0 | 0 | 0 | 110.4 | I165 D167 T170 S174 F176 F212 T214 I233 F237 | I165-F172 HydrophobicContact CD1-CD1 3.66Å; I165-F172 HydrophobicContact CD1-CE1 3.75Å; I165-F172 HydrophobicContact CD1-CG 4.22Å; I165-F172 HydrophobicContact CD1-CZ 4.38Å; I165-F172 HydrophobicContact CG1-CD1 4.31Å; D167-F172 CarbonylContact C-O 3.58Å; D167-F172 PolarHBondContact N-O 3.08Å; D167-F172 CarbonylContact O-C 3.57Å; T170-F172 PolarHBondContact O-N 2.88Å; T170-F172 PolarHBondContact OG1-N 3.09Å; T170-F172 VanDerWaalsContact OG1-N 3.11Å; F172-S174 PolarHBondContact O-N 3.27Å; F172-F176 HydrophobicContact CB-CD2 4.2Å; F172-F176 AromaticContact CD1-CD2 3.99Å; F172-F176 HydrophobicContact CD1-CD2 3.99Å; F172-F176 HydrophobicContact CD1-CE2 4.35Å; F172-F176 HydrophobicContact CD1-CG 4.3Å; F172-F212 HydrophobicContact CD2-CE1 4.24Å; F172-F212 HydrophobicContact CE1-CE1 4.35Å; F172-F212 AromaticContact CE2-CE1 3.48Å; F172-F212 HydrophobicContact CE2-CE1 3.48Å; F172-F212 VanDerWaalsContact CE2-CE1 3.48Å; F172-F212 AromaticContact CE2-CZ 3.81Å; F172-F212 HydrophobicContact CE2-CZ 3.81Å; F172-F212 AromaticContact CZ-CE1 3.53Å; F172-F212 HydrophobicContact CZ-CE1 3.53Å; F172-F212 AromaticContact CZ-CZ 3.59Å; F172-F212 HydrophobicContact CZ-CZ 3.59Å; F172-T214 HydrophobicContact CB-CG2 4.36Å; F172-T214 HydrophobicContact CD2-CG2 3.88Å; F172-T214 HydrophobicContact CG-CG2 4.3Å; F172-I233 HydrophobicContact CE1-CD1 4.19Å; F172-I233 HydrophobicContact CE1-CG2 4.3Å; F172-I233 HydrophobicContact CZ-CB 4.13Å; F172-I233 HydrophobicContact CZ-CD1 4.07Å; F172-I233 HydrophobicContact CZ-CG2 4.04Å; F172-F237 HydrophobicContact CD1-CE1 4.1Å; F172-F237 HydrophobicContact CE1-CD1 4.12Å; F172-F237 HydrophobicContact CE1-CE1 4.05Å | ||
| 173 | N | 91.9 | Very high | 92.6 | Very high | 95 Ų | 95 | 33.6 Ų | 33.6 | 51% | 0.508 | 18% | 0.177 | S | C | . | . | trans | -80.9 | 8.1 | -172.8 | 66.7 | -8.4 | 0 | 0 | 0 | 114.6 | H168 T170 K171 | H168-N173 PolarHBondContact CE1-O 3.02Å; H168-N173 PolarHBondContact ND1-O 2.98Å; T170-N173 WeakPolarHBondContact O-CB 3.19Å; K171-N173 PolarHBondContact O-N 2.62Å; K171-N173 VanDerWaalsContact O-N 3.13Å | ||
| 174 | S | 93.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -129.5 | 171.4 | 165.4 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | S112 F172 F176 | S112-S174 VanDerWaalsContact OG-CA 3.27Å; S112-S174 WeakPolarHBondContact OG-CA 3.36Å; F172-S174 PolarHBondContact O-N 3.27Å; S174-F176 WeakPolarHBondContact O-CD2 3.33Å; S174-F176 PolarHBondContact O-N 2.84Å; S174-F176 VanDerWaalsContact OG-CE2 3.28Å; S174-F176 WeakPolarHBondContact OG-CE2 3.09Å |
| 175 | L | 94.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | trans | -66.8 | 119 | 173 | 177.7 | 58.4 | 0 | 0 | 0 | 110.6 | F108 S112 V113 I119 P164 E166 V191 | F108-L175 HydrophobicContact CE2-CD1 4.15Å; F108-L175 HydrophobicContact CZ-CD1 3.67Å; F108-L175 HydrophobicContact CZ-CD2 4.34Å; S112-L175 PolarHBondContact OG-N 3.09Å; V113-L175 HydrophobicContact CG2-CD2 4.17Å; I119-L175 HydrophobicContact CD1-CD1 4.33Å; I119-L175 HydrophobicContact CD1-CD2 3.99Å; P164-L175 HydrophobicContact CB-CD1 4.12Å; E166-L175 HydrophobicContact CB-CD1 4.48Å; L175-V191 HydrophobicContact CB-CB 4.21Å; L175-V191 HydrophobicContact CB-CG2 4.36Å; L175-V191 HydrophobicContact CD2-CB 4.2Å; L175-V191 HydrophobicContact CD2-CG1 4.07Å; L175-V191 HydrophobicContact CD2-CG2 3.98Å; L175-V191 HydrophobicContact CG-CB 4.05Å; L175-V191 HydrophobicContact CG-CG1 4.47Å; L175-V191 HydrophobicContact CG-CG2 3.71Å; L175-V191 WeakPolarHBondContact O-CB 3.39Å; L175-V191 WeakPolarHBondContact O-CG2 3.47Å; L175-V191 PolarHBondContact O-N 3.28Å; L175-V191 VanDerWaalsContact O-N 3.08Å | ||
| 176 | F | 95.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 158.5 | 166.1 | -68.8 | -98.7 | 0 | 0 | 0 | 110.2 | P164 I165 F172 S174 L188 W189 D190 V197 F237 | P164-F176 WeakPolarHBondContact CA-O 3.2Å; I165-F176 HydrophobicContact CD1-CB 4.08Å; I165-F176 HydrophobicContact CG1-CB 3.6Å; I165-F176 PolarHBondContact N-O 2.85Å; I165-F176 PolarHBondContact O-N 3.3Å; F172-F176 HydrophobicContact CB-CD2 4.2Å; F172-F176 AromaticContact CD1-CD2 3.99Å; F172-F176 HydrophobicContact CD1-CD2 3.99Å; F172-F176 HydrophobicContact CD1-CE2 4.35Å; F172-F176 HydrophobicContact CD1-CG 4.3Å; S174-F176 WeakPolarHBondContact O-CD2 3.33Å; S174-F176 PolarHBondContact O-N 2.84Å; S174-F176 VanDerWaalsContact OG-CE2 3.28Å; S174-F176 WeakPolarHBondContact OG-CE2 3.09Å; F176-L188 HydrophobicContact CB-CD1 3.83Å; F176-L188 HydrophobicContact CD1-CD1 3.9Å; F176-L188 HydrophobicContact CD1-CD2 4.33Å; F176-L188 HydrophobicContact CD1-CG 4.01Å; F176-L188 HydrophobicContact CG-CD1 4.21Å; F176-W189 CarbonylContact C-O 3.56Å; F176-W189 WeakPolarHBondContact CA-O 3.35Å; F176-W189 WeakPolarHBondContact CB-O 3.36Å; F176-W189 WeakPolarHBondContact CD1-O 3.42Å; F176-D190 HydrophobicContact CD1-CB 3.9Å; F176-D190 HydrophobicContact CE1-CB 3.56Å; F176-D190 HydrophobicContact CZ-CB 4.32Å; F176-V197 HydrophobicContact CD1-CG2 4.41Å; F176-V197 HydrophobicContact CE1-CG2 4.14Å; F176-F237 HydrophobicContact CE1-CD1 4.26Å; F176-F237 AromaticContact CE1-CE1 3.94Å; F176-F237 HydrophobicContact CE1-CE1 3.94Å; F176-F237 HydrophobicContact CE1-CZ 4.15Å; F176-F237 HydrophobicContact CE2-CE1 4.26Å; F176-F237 HydrophobicContact CE2-CZ 4.37Å; F176-F237 HydrophobicContact CZ-CD1 4.43Å; F176-F237 AromaticContact CZ-CE1 3.67Å; F176-F237 HydrophobicContact CZ-CE1 3.67Å; F176-F237 HydrophobicContact CZ-CE2 4.34Å; F176-F237 AromaticContact CZ-CZ 3.61Å; F176-F237 HydrophobicContact CZ-CZ 3.61Å |
| 177 | V | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.2 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | I119 I130 L162 L179 W189 V191 | I119-V177 HydrophobicContact CD1-CG2 3.86Å; I130-V177 HydrophobicContact CD1-CB 3.88Å; I130-V177 HydrophobicContact CD1-CG1 3.95Å; I130-V177 HydrophobicContact CD1-CG2 3.92Å; L162-V177 HydrophobicContact CD1-CG1 4.11Å; L162-V177 HydrophobicContact CD2-CG1 4.01Å; L162-V177 HydrophobicContact CG-CG1 3.68Å; V177-L179 HydrophobicContact CG1-CD2 3.59Å; V177-L179 HydrophobicContact CG1-CG 4.25Å; V177-W189 HydrophobicContact CB-CB 4.33Å; V177-W189 PolarHBondContact N-O 3.44Å; V177-W189 PolarHBondContact O-N 3.25Å; V177-V191 HydrophobicContact CG2-CG2 3.79Å |
| 178 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.5 | 168.9 | -75.1 | 162.9 | 0 | 0 | 0 | 109.3 | L162 L163 I165 I186 Q187 L188 L210 F212 W231 I233 | L162-L178 CarbonylContact C-O 3.56Å; L162-L178 WeakPolarHBondContact CA-O 3.5Å; L163-L178 HydrophobicContact CB-CB 4.31Å; L163-L178 HydrophobicContact CD2-CD1 4.33Å; L163-L178 PolarHBondContact N-O 2.79Å; L163-L178 PolarHBondContact O-N 3.46Å; I165-L178 HydrophobicContact CD1-CD1 3.9Å; I165-L178 HydrophobicContact CD1-CG 4.09Å; I165-L178 HydrophobicContact CG2-CD1 3.99Å; L178-I186 HydrophobicContact CD2-CG2 3.91Å; L178-Q187 CarbonylContact C-O 3.55Å; L178-Q187 VanDerWaalsContact CA-O 3.32Å; L178-Q187 WeakPolarHBondContact CA-O 3.25Å; L178-L188 HydrophobicContact CD2-CB 4.25Å; L178-L188 HydrophobicContact CD2-CD1 3.82Å; L178-L188 HydrophobicContact CG-CD1 4.09Å; L178-L210 HydrophobicContact CB-CD1 3.93Å; L178-L210 HydrophobicContact CD1-CD1 4.42Å; L178-F212 HydrophobicContact CD1-CB 3.55Å; L178-F212 HydrophobicContact CD1-CD1 4.27Å; L178-F212 HydrophobicContact CD1-CD2 4.12Å; L178-F212 HydrophobicContact CD1-CG 3.73Å; L178-W231 HydrophobicContact CD1-CH2 3.72Å; L178-W231 HydrophobicContact CD2-CH2 3.76Å; L178-W231 HydrophobicContact CD2-CZ3 4.22Å; L178-W231 HydrophobicContact CG-CH2 4.36Å; L178-I233 HydrophobicContact CD2-CD1 4.13Å |
| 179 | L | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134 | 176.1 | -55.3 | -177 | 0 | 0 | 0 | 110.4 | I130 I159 S161 L162 V177 I186 Q187 W189 | I130-L179 HydrophobicContact CG2-CD1 3.87Å; I130-L179 HydrophobicContact CG2-CD2 3.99Å; I159-L179 HydrophobicContact CD1-CD1 3.78Å; I159-L179 HydrophobicContact CD1-CD2 4.4Å; I159-L179 HydrophobicContact CG1-CD1 4.14Å; I159-L179 HydrophobicContact CG2-CB 4.42Å; I159-L179 HydrophobicContact CG2-CD2 3.93Å; S161-L179 CarbonylContact O-C 3.57Å; S161-L179 WeakPolarHBondContact O-CA 3.44Å; L162-L179 HydrophobicContact CB-CD2 3.84Å; L162-L179 HydrophobicContact CD1-CD2 3.53Å; L162-L179 HydrophobicContact CG-CD2 3.5Å; V177-L179 HydrophobicContact CG1-CD2 3.59Å; V177-L179 HydrophobicContact CG1-CG 4.25Å; L179-I186 CarbonylContact O-C 3.57Å; L179-I186 VanDerWaalsContact O-CA 3.27Å; L179-I186 WeakPolarHBondContact O-CA 3.22Å; L179-Q187 HydrophobicContact CB-CB 4.36Å; L179-Q187 PolarHBondContact N-O 2.88Å; L179-Q187 PolarHBondContact O-N 2.96Å; L179-W189 HydrophobicContact CD1-CD2 4.33Å; L179-W189 HydrophobicContact CD1-CG 4.41Å; L179-W189 HydrophobicContact CD1-CZ2 3.84Å |
| 180 | G | 92.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F160 S161 | F160-G180 PolarHBondContact N-O 3.38Å; S161-G180 PolarHBondContact N-O 2.86Å; S161-G180 PolarHBondContact O-N 3.22Å; S161-G180 WeakPolarHBondContact OG-CA 2.98Å |
| 181 | T | 89.3 | Confident | 92.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 165.9 | -170.7 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | F183 G184 S185 Q187 V207 | T181-F183 PolarHBondContact O-N 2.8Å; T181-F183 PolarHBondContact OG1-N 2.69Å; T181-G184 PolarHBondContact O-N 2.82Å; T181-S185 PolarHBondContact N-O 3.13Å; T181-S185 WeakPolarHBondContact OG1-CB 3.44Å; T181-S185 PolarHBondContact OG1-N 2.71Å; T181-S185 VanDerWaalsContact OG1-N 3.11Å; T181-S185 PolarHBondContact OG1-O 2.8Å; T181-Q187 HydrophobicContact CG2-CG 4.17Å; T181-V207 PolarHBondContact O-N 3.32Å |
| 182 | E | 86.2 | Confident | 92.4 | Very high | 60 Ų | 60 | 22.2 Ų | 22.2 | 28% | 0.28 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -32.4 | 173.2 | -169.2 | 162.8 | 179.6 | 0 | 0 | 114.1 | N158 F160 I206 | N158-E182 HydrophobicContact CB-CB 4.41Å; N158-E182 WeakPolarHBondContact CB-OE2 3.31Å; N158-E182 PolarHBondContact ND2-OE2 2.82Å; N158-E182 PolarHBondContact O-N 3.22Å; F160-E182 HydrophobicContact CD2-CB 4.11Å; F160-E182 HydrophobicContact CE2-CB 3.64Å; F160-E182 HydrophobicContact CE2-CG 3.76Å; F160-E182 HydrophobicContact CZ-CG 4.44Å; E182-I206 HydrophobicContact CG-CG1 4.15Å; E182-I206 WeakPolarHBondContact O-CA 3.27Å; E182-I206 VanDerWaalsContact O-CG1 3.26Å; E182-I206 WeakPolarHBondContact O-CG1 3.32Å; E182-I206 PolarHBondContact O-N 3.48Å |
| 183 | F | 87.4 | Confident | 92.1 | Very high | 97 Ų | 97 | 28.1 Ų | 28.1 | 43% | 0.425 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 15.7 | -175.2 | -58.4 | -59.9 | 0 | 0 | 0 | 114.1 | V155 E156 T181 S185 R201 | V155-F183 HydrophobicContact CG1-CD2 3.95Å; V155-F183 HydrophobicContact CG1-CE2 4.32Å; E156-F183 WeakPolarHBondContact O-CE2 3.4Å; T181-F183 PolarHBondContact O-N 2.8Å; T181-F183 PolarHBondContact OG1-N 2.69Å; F183-S185 VanDerWaalsContact C-N 3.35Å; F183-R201 PolarHBondContact O-NE 3.48Å; F183-R201 VanDerWaalsContact O-NE 3.16Å |
| 184 | G | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 82.1 | 10.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T181 I202 H203 D205 V207 | T181-G184 PolarHBondContact O-N 2.82Å; G184-I202 PolarHBondContact O-N 2.88Å; G184-H203 WeakPolarHBondContact CA-O 2.97Å; G184-H203 PolarHBondContact O-N 2.55Å; G184-D205 WeakPolarHBondContact CA-O 3.41Å; G184-D205 PolarHBondContact N-O 2.89Å; G184-V207 VanDerWaalsContact C-CG2 3.45Å |
| 185 | S | 92.8 | Very high | 91.6 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 146.2 | 172.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | T181 F183 E199 T200 V207 | T181-S185 PolarHBondContact N-O 3.13Å; T181-S185 WeakPolarHBondContact OG1-CB 3.44Å; T181-S185 PolarHBondContact OG1-N 2.71Å; T181-S185 VanDerWaalsContact OG1-N 3.11Å; T181-S185 PolarHBondContact OG1-O 2.8Å; F183-S185 VanDerWaalsContact C-N 3.35Å; S185-E199 WeakPolarHBondContact CB-OE1 3.33Å; S185-E199 PolarHBondContact OG-OE1 2.92Å; S185-T200 WeakPolarHBondContact CA-O 3.42Å; S185-V207 WeakPolarHBondContact O-CG2 3.26Å |
| 186 | I | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127 | 161.3 | -58.3 | -176.4 | 0 | 0 | 0 | 107.2 | L178 L179 E199 T200 I202 V207 W231 I239 | L178-I186 HydrophobicContact CD2-CG2 3.91Å; L179-I186 CarbonylContact O-C 3.57Å; L179-I186 VanDerWaalsContact O-CA 3.27Å; L179-I186 WeakPolarHBondContact O-CA 3.22Å; I186-E199 WeakPolarHBondContact O-CA 3.45Å; I186-T200 PolarHBondContact N-O 2.96Å; I186-T200 PolarHBondContact O-N 2.82Å; I186-I202 HydrophobicContact CB-CG1 4.4Å; I186-I202 HydrophobicContact CD1-CB 4.23Å; I186-I202 HydrophobicContact CD1-CG1 3.94Å; I186-I202 HydrophobicContact CD1-CG2 4.42Å; I186-I202 HydrophobicContact CG1-CB 4.31Å; I186-I202 HydrophobicContact CG1-CG1 4.06Å; I186-V207 HydrophobicContact CG1-CG1 4.33Å; I186-V207 HydrophobicContact CG1-CG2 4.3Å; I186-W231 HydrophobicContact CD1-CD2 4.09Å; I186-W231 VanDerWaalsContact CD1-CE2 3.41Å; I186-W231 HydrophobicContact CD1-CG 4.38Å; I186-W231 HydrophobicContact CD1-CZ2 3.67Å; I186-W231 VanDerWaalsContact CD1-NE1 3.34Å; I186-W231 HydrophobicContact CG2-CH2 4.23Å; I186-W231 HydrophobicContact CG2-CZ2 4.29Å; I186-I239 HydrophobicContact CB-CD1 4.31Å; I186-I239 HydrophobicContact CG2-CD1 3.96Å; I186-I239 WeakPolarHBondContact O-CD1 3.23Å |
| 187 | Q | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.5 | 176.1 | -63.7 | 175.7 | -7.4 | 0 | 0 | 109.7 | L178 L179 T181 S198 E199 | L178-Q187 CarbonylContact C-O 3.55Å; L178-Q187 VanDerWaalsContact CA-O 3.32Å; L178-Q187 WeakPolarHBondContact CA-O 3.25Å; L179-Q187 HydrophobicContact CB-CB 4.36Å; L179-Q187 PolarHBondContact N-O 2.88Å; L179-Q187 PolarHBondContact O-N 2.96Å; T181-Q187 HydrophobicContact CG2-CG 4.17Å; Q187-S198 WeakPolarHBondContact CA-O 3.48Å; Q187-E199 HydrophobicContact CG-CB 4.17Å; Q187-E199 HydrophobicContact CG-CG 3.85Å; Q187-E199 PolarHBondContact NE2-OE1 2.76Å |
| 188 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.6 | 171.7 | 179.3 | 66.1 | 0 | 0 | 0 | 109 | I165 F176 L178 V197 S198 I233 F237 I239 | I165-L188 HydrophobicContact CD1-CD1 4.03Å; F176-L188 HydrophobicContact CB-CD1 3.83Å; F176-L188 HydrophobicContact CD1-CD1 3.9Å; F176-L188 HydrophobicContact CD1-CD2 4.33Å; F176-L188 HydrophobicContact CD1-CG 4.01Å; F176-L188 HydrophobicContact CG-CD1 4.21Å; L178-L188 HydrophobicContact CD2-CB 4.25Å; L178-L188 HydrophobicContact CD2-CD1 3.82Å; L178-L188 HydrophobicContact CG-CD1 4.09Å; L188-V197 HydrophobicContact CB-CG2 4.21Å; L188-V197 HydrophobicContact CD2-CG2 3.83Å; L188-V197 HydrophobicContact CG-CG2 3.74Å; L188-V197 WeakPolarHBondContact O-CG2 3.28Å; L188-V197 PolarHBondContact O-N 2.8Å; L188-S198 PolarHBondContact N-O 3.02Å; L188-S198 PolarHBondContact O-N 3.27Å; L188-I233 HydrophobicContact CD2-CD1 4.06Å; L188-I233 HydrophobicContact CD2-CG2 4.35Å; L188-F237 HydrophobicContact CD2-CB 3.89Å; L188-F237 HydrophobicContact CD2-CD1 3.84Å; L188-F237 HydrophobicContact CD2-CG 4.24Å; L188-I239 HydrophobicContact CB-CD1 4.16Å |
| 189 | W | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.9 | -178.6 | -67.2 | 61.9 | 0 | 0 | 0 | 109.5 | A128 I130 L143 T145 F176 V177 L179 I196 | A128-W189 HydrophobicContact CB-CZ2 4.35Å; A128-W189 WeakPolarHBondContact O-CH2 3.46Å; I130-W189 HydrophobicContact CD1-CD2 4.49Å; I130-W189 HydrophobicContact CD1-CE3 4.47Å; L143-W189 HydrophobicContact CB-CE3 3.7Å; L143-W189 HydrophobicContact CB-CZ3 3.51Å; T145-W189 HydrophobicContact CG2-CH2 3.3Å; T145-W189 HydrophobicContact CG2-CZ2 3.25Å; T145-W189 HydrophobicContact CG2-CZ3 4.45Å; F176-W189 CarbonylContact C-O 3.56Å; F176-W189 WeakPolarHBondContact CA-O 3.35Å; F176-W189 WeakPolarHBondContact CB-O 3.36Å; F176-W189 WeakPolarHBondContact CD1-O 3.42Å; V177-W189 HydrophobicContact CB-CB 4.33Å; V177-W189 PolarHBondContact N-O 3.44Å; V177-W189 PolarHBondContact O-N 3.25Å; L179-W189 HydrophobicContact CD1-CD2 4.33Å; L179-W189 HydrophobicContact CD1-CG 4.41Å; L179-W189 HydrophobicContact CD1-CZ2 3.84Å; W189-I196 HydrophobicContact CD2-CG1 3.65Å; W189-I196 VanDerWaalsContact CE2-CG1 3.46Å; W189-I196 HydrophobicContact CE3-CG1 4.06Å; W189-I196 HydrophobicContact CG-CG1 4.14Å; W189-I196 HydrophobicContact CH2-CD1 4.36Å; W189-I196 HydrophobicContact CH2-CG1 4.28Å; W189-I196 HydrophobicContact CZ2-CD1 3.88Å; W189-I196 HydrophobicContact CZ2-CG1 3.85Å; W189-I196 HydrophobicContact CZ3-CG1 4.32Å |
| 190 | D | 92.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 105.4 | 171.4 | -174.9 | -30.5 | 0 | 0 | 0 | 107.4 | F176 K192 K193 E194 A195 V197 | F176-D190 HydrophobicContact CD1-CB 3.9Å; F176-D190 HydrophobicContact CE1-CB 3.56Å; F176-D190 HydrophobicContact CZ-CB 4.32Å; D190-K192 PolarHBondContact O-N 2.56Å; D190-K192 PolarHBondContact OD1-N 3.28Å; D190-K193 HydrophobicContact CB-CB 4.06Å; D190-K193 HydrophobicContact CB-CD 4.35Å; D190-K193 HydrophobicContact CB-CG 4.36Å; D190-K193 PolarHBondContact O-N 2.93Å; D190-K193 PolarHBondContact OD1-N 3.17Å; D190-K193 VanDerWaalsContact OD1-N 3.12Å; D190-K193 WeakPolarHBondContact OD2-CD 3.47Å; D190-K193 WeakPolarHBondContact OD2-CE 3.23Å; D190-K193 WeakPolarHBondContact OD2-CG 3.32Å; D190-K193 IonicContact OD2-NZ 3.9Å; D190-K193 PolarHBondContact OD2-NZ 3.23Å; D190-E194 PolarHBondContact O-N 3.43Å; D190-A195 PolarHBondContact N-O 2.89Å; D190-A195 PolarHBondContact O-N 3.05Å; D190-V197 HydrophobicContact CB-CG1 3.57Å; D190-V197 HydrophobicContact CB-CG2 4.33Å |
| 191 | V | 90.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -34.9 | -174.4 | 175 | 0 | 0 | 0 | 0 | 110.9 | V132 Y141 L143 L175 V177 E194 | V132-V191 HydrophobicContact CG2-CG1 4.21Å; Y141-V191 HydrophobicContact CE2-CG1 3.8Å; Y141-V191 WeakPolarHBondContact OH-CG1 3.32Å; L143-V191 HydrophobicContact CD1-CB 4.24Å; L143-V191 HydrophobicContact CD1-CG1 4.13Å; L143-V191 HydrophobicContact CD1-CG2 3.81Å; L175-V191 HydrophobicContact CB-CB 4.21Å; L175-V191 HydrophobicContact CB-CG2 4.36Å; L175-V191 HydrophobicContact CD2-CB 4.2Å; L175-V191 HydrophobicContact CD2-CG1 4.07Å; L175-V191 HydrophobicContact CD2-CG2 3.98Å; L175-V191 HydrophobicContact CG-CB 4.05Å; L175-V191 HydrophobicContact CG-CG1 4.47Å; L175-V191 HydrophobicContact CG-CG2 3.71Å; L175-V191 WeakPolarHBondContact O-CB 3.39Å; L175-V191 WeakPolarHBondContact O-CG2 3.47Å; L175-V191 PolarHBondContact O-N 3.28Å; L175-V191 VanDerWaalsContact O-N 3.08Å; V177-V191 HydrophobicContact CG2-CG2 3.79Å; V191-E194 PolarHBondContact O-N 2.81Å |
| 192 | K | 88.9 | Confident | 91.5 | Very high | 176 Ų | 176 | 45.5 Ų | 45.5 | 77% | 0.765 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -35.6 | 179.9 | -178.9 | 178.5 | 177.6 | 179 | 0 | 112.4 | D190 E194 | D190-K192 PolarHBondContact O-N 2.56Å; D190-K192 PolarHBondContact OD1-N 3.28Å; K192-E194 VanDerWaalsContact C-N 3.28Å |
| 193 | K | 88.9 | Confident | 91.9 | Very high | 125 Ų | 125 | 42.9 Ų | 42.9 | 54% | 0.543 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -4.5 | 175.6 | -66.4 | -177.3 | -167.3 | 131.9 | 0 | 113.5 | D190 A195 V197 | D190-K193 HydrophobicContact CB-CB 4.06Å; D190-K193 HydrophobicContact CB-CD 4.35Å; D190-K193 HydrophobicContact CB-CG 4.36Å; D190-K193 PolarHBondContact O-N 2.93Å; D190-K193 PolarHBondContact OD1-N 3.17Å; D190-K193 VanDerWaalsContact OD1-N 3.12Å; D190-K193 WeakPolarHBondContact OD2-CD 3.47Å; D190-K193 WeakPolarHBondContact OD2-CE 3.23Å; D190-K193 WeakPolarHBondContact OD2-CG 3.32Å; D190-K193 IonicContact OD2-NZ 3.9Å; D190-K193 PolarHBondContact OD2-NZ 3.23Å; K193-A195 HydrophobicContact CB-CB 4.4Å; K193-A195 PolarHBondContact O-N 3.02Å; K193-V197 HydrophobicContact CD-CG1 4.47Å |
| 194 | E | 87.3 | Confident | 92.2 | Very high | 131 Ų | 131 | 46.2 Ų | 46.2 | 61% | 0.612 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 36.6 | -175 | -58.4 | -178.5 | 176.7 | 0 | 0 | 113.9 | L143 D190 V191 K192 | L143-E194 HydrophobicContact CD2-CB 3.71Å; L143-E194 HydrophobicContact CD2-CG 3.9Å; D190-E194 PolarHBondContact O-N 3.43Å; V191-E194 PolarHBondContact O-N 2.81Å; K192-E194 VanDerWaalsContact C-N 3.28Å |
| 195 | A | 86.8 | Confident | 92.2 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D190 K193 V197 | D190-A195 PolarHBondContact N-O 2.89Å; D190-A195 PolarHBondContact O-N 3.05Å; K193-A195 HydrophobicContact CB-CB 4.4Å; K193-A195 PolarHBondContact O-N 3.02Å; A195-V197 PolarHBondContact O-N 2.78Å |
| 196 | I | 89.6 | Confident | 92.2 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123 | 163.2 | -61.3 | 165.8 | 0 | 0 | 0 | 107.9 | T145 V150 L151 W189 S198 | T145-I196 HydrophobicContact CG2-CD1 3.41Å; T145-I196 VanDerWaalsContact CG2-CD1 3.41Å; T145-I196 HydrophobicContact CG2-CG1 4.46Å; V150-I196 HydrophobicContact CB-CG2 4.32Å; V150-I196 HydrophobicContact CG1-CG2 4.16Å; V150-I196 WeakPolarHBondContact CG2-O 3.47Å; L151-I196 HydrophobicContact CD1-CD1 3.57Å; L151-I196 HydrophobicContact CD2-CD1 3.91Å; L151-I196 HydrophobicContact CG-CD1 3.7Å; W189-I196 HydrophobicContact CD2-CG1 3.65Å; W189-I196 VanDerWaalsContact CE2-CG1 3.46Å; W189-I196 HydrophobicContact CE3-CG1 4.06Å; W189-I196 HydrophobicContact CG-CG1 4.14Å; W189-I196 HydrophobicContact CH2-CD1 4.36Å; W189-I196 HydrophobicContact CH2-CG1 4.28Å; W189-I196 HydrophobicContact CZ2-CD1 3.88Å; W189-I196 HydrophobicContact CZ2-CG1 3.85Å; W189-I196 HydrophobicContact CZ3-CG1 4.32Å; I196-S198 WeakPolarHBondContact CG2-O 3.33Å |
| 197 | V | 92.5 | Very high | 92.2 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -17.9 | 177.7 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | F176 L188 D190 K193 A195 F237 | F176-V197 HydrophobicContact CD1-CG2 4.41Å; F176-V197 HydrophobicContact CE1-CG2 4.14Å; L188-V197 HydrophobicContact CB-CG2 4.21Å; L188-V197 HydrophobicContact CD2-CG2 3.83Å; L188-V197 HydrophobicContact CG-CG2 3.74Å; L188-V197 WeakPolarHBondContact O-CG2 3.28Å; L188-V197 PolarHBondContact O-N 2.8Å; D190-V197 HydrophobicContact CB-CG1 3.57Å; D190-V197 HydrophobicContact CB-CG2 4.33Å; K193-V197 HydrophobicContact CD-CG1 4.47Å; A195-V197 PolarHBondContact O-N 2.78Å; V197-F237 HydrophobicContact CG2-CB 4.22Å |
| 198 | S | 93.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 52 Ų | 52 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 147.8 | 173.7 | -162.9 | 0 | 0 | 0 | 0 | 111.6 | Q187 L188 I196 F237 I239 | Q187-S198 WeakPolarHBondContact CA-O 3.48Å; L188-S198 PolarHBondContact N-O 3.02Å; L188-S198 PolarHBondContact O-N 3.27Å; I196-S198 WeakPolarHBondContact CG2-O 3.33Å; S198-F237 WeakPolarHBondContact CB-O 3.23Å; S198-F237 PolarHBondContact OG-O 3.39Å; S198-I239 PolarHBondContact OG-N 3.2Å |
| 199 | E | 92.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.5 | 167.1 | 179 | 178.4 | -133.4 | 0 | 0 | 108.6 | V150 L151 S185 I186 Q187 | V150-E199 HydrophobicContact CG1-CB 4.19Å; L151-E199 HydrophobicContact CD2-CB 4.2Å; L151-E199 HydrophobicContact CD2-CG 4.34Å; L151-E199 WeakPolarHBondContact CD2-OE2 3.29Å; S185-E199 WeakPolarHBondContact CB-OE1 3.33Å; S185-E199 PolarHBondContact OG-OE1 2.92Å; I186-E199 WeakPolarHBondContact O-CA 3.45Å; Q187-E199 HydrophobicContact CG-CB 4.17Å; Q187-E199 HydrophobicContact CG-CG 3.85Å; Q187-E199 PolarHBondContact NE2-OE1 2.76Å |
| 200 | T | 94.7 | Very high | 92.4 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 24% | 0.239 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 132.3 | 170.8 | -64 | 0 | 0 | 0 | 0 | 110.5 | S185 I186 I202 I239 | S185-T200 WeakPolarHBondContact CA-O 3.42Å; I186-T200 PolarHBondContact N-O 2.96Å; I186-T200 PolarHBondContact O-N 2.82Å; T200-I202 HydrophobicContact CG2-CD1 3.7Å; T200-I202 HydrophobicContact CG2-CG1 4.2Å; T200-I202 PolarHBondContact O-N 2.92Å; T200-I202 VanDerWaalsContact O-N 3.15Å; T200-I239 PolarHBondContact OG1-O 3.22Å |
| 201 | R | 94 | Very high | 92.7 | Very high | 157 Ų | 157 | 55.3 Ų | 55.3 | 59% | 0.592 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 99 | 173.3 | -169 | 170.5 | -173.1 | 173.8 | 1.7 | 109.9 | F183 H203 K204 | F183-R201 PolarHBondContact O-NE 3.48Å; F183-R201 VanDerWaalsContact O-NE 3.16Å; R201-H203 WeakPolarHBondContact CG-O 3.12Å; R201-H203 PolarHBondContact NE-O 2.65Å; R201-K204 PolarHBondContact NH2-O 3.13Å |
| 202 | I | 95.6 | Very high | 93 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | trans | -92 | -32.7 | -177.1 | -64.4 | -66.2 | 0 | 0 | 0 | 111.5 | G184 I186 T200 S229 W231 I239 Q241 | G184-I202 PolarHBondContact O-N 2.88Å; I186-I202 HydrophobicContact CB-CG1 4.4Å; I186-I202 HydrophobicContact CD1-CB 4.23Å; I186-I202 HydrophobicContact CD1-CG1 3.94Å; I186-I202 HydrophobicContact CD1-CG2 4.42Å; I186-I202 HydrophobicContact CG1-CB 4.31Å; I186-I202 HydrophobicContact CG1-CG1 4.06Å; T200-I202 HydrophobicContact CG2-CD1 3.7Å; T200-I202 HydrophobicContact CG2-CG1 4.2Å; T200-I202 PolarHBondContact O-N 2.92Å; T200-I202 VanDerWaalsContact O-N 3.15Å; I202-S229 WeakPolarHBondContact CG2-OG 3.44Å; I202-W231 HydrophobicContact CD1-CB 4.13Å; I202-I239 HydrophobicContact CD1-CG2 4.07Å; I202-I239 HydrophobicContact CG1-CG2 4.33Å; I202-Q241 HydrophobicContact CD1-CB 3.69Å; I202-Q241 HydrophobicContact CD1-CG 4.43Å; I202-Q241 PolarHBondContact O-NE2 2.84Å | ||
| 203 | H | 95.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | trans | -119.7 | 160.9 | 178.7 | -67.6 | -72.7 | 0 | 0 | 0 | 110.1 | G184 R201 D205 V207 S221 D226 S229 | G184-H203 WeakPolarHBondContact CA-O 2.97Å; G184-H203 PolarHBondContact O-N 2.55Å; R201-H203 WeakPolarHBondContact CG-O 3.12Å; R201-H203 PolarHBondContact NE-O 2.65Å; H203-D205 VanDerWaalsContact CB-O 3.29Å; H203-D205 WeakPolarHBondContact CB-O 3.33Å; H203-V207 HydrophobicContact CB-CG2 4.49Å; H203-S221 PolarHBondContact NE2-O 3.26Å; H203-S221 PolarHBondContact NE2-OG 2.87Å; H203-D226 WeakPolarHBondContact CB-OD2 3.25Å; H203-S229 PolarHBondContact CE1-OG 3.34Å | ||
| 204 | K | 93.3 | Very high | 93.5 | Very high | 166 Ų | 166 | 43.8 Ų | 43.8 | 72% | 0.722 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -86.3 | -25.2 | 175.2 | -60.6 | 176.2 | -178.5 | 175.1 | 0 | 111.2 | R201 D226 | R201-K204 PolarHBondContact NH2-O 3.13Å; K204-D226 WeakPolarHBondContact CA-OD2 3.43Å; K204-D226 PolarHBondContact N-OD2 2.61Å |
| 205 | D | 92.5 | Very high | 93.7 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -125.5 | 179.5 | -180 | -155.7 | -22.7 | 0 | 0 | 0 | 110.6 | G184 H203 V207 A225 D226 | G184-D205 WeakPolarHBondContact CA-O 3.41Å; G184-D205 PolarHBondContact N-O 2.89Å; H203-D205 VanDerWaalsContact CB-O 3.29Å; H203-D205 WeakPolarHBondContact CB-O 3.33Å; D205-V207 PolarHBondContact O-N 3.43Å; D205-A225 HydrophobicContact CB-CB 3.71Å; D205-A225 WeakPolarHBondContact OD2-CB 3.5Å; D205-D226 PolarHBondContact N-OD2 3.17Å |
| 206 | I | 92.1 | Very high | 93.9 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.205 | 21% | 0.214 | C | C | . | . | trans | -42.1 | 129.9 | -173.6 | -62.5 | 160.3 | 0 | 0 | 0 | 113.5 | F160 E182 S208 S223 | F160-I206 HydrophobicContact CB-CG2 3.63Å; F160-I206 HydrophobicContact CD1-CG2 3.44Å; F160-I206 VanDerWaalsContact CD1-CG2 3.44Å; F160-I206 HydrophobicContact CD2-CG1 4.45Å; F160-I206 HydrophobicContact CD2-CG2 3.59Å; F160-I206 HydrophobicContact CE1-CD1 3.99Å; F160-I206 HydrophobicContact CE1-CG1 4.48Å; F160-I206 HydrophobicContact CE1-CG2 3.88Å; F160-I206 HydrophobicContact CE2-CD1 4.29Å; F160-I206 HydrophobicContact CE2-CG1 4.12Å; F160-I206 HydrophobicContact CE2-CG2 4.03Å; F160-I206 HydrophobicContact CG-CG2 3.25Å; F160-I206 HydrophobicContact CZ-CD1 3.79Å; F160-I206 HydrophobicContact CZ-CG1 4.14Å; F160-I206 HydrophobicContact CZ-CG2 4.16Å; E182-I206 HydrophobicContact CG-CG1 4.15Å; E182-I206 WeakPolarHBondContact O-CA 3.27Å; E182-I206 VanDerWaalsContact O-CG1 3.26Å; E182-I206 WeakPolarHBondContact O-CG1 3.32Å; E182-I206 PolarHBondContact O-N 3.48Å; I206-S208 PolarHBondContact O-N 2.93Å; I206-S208 VanDerWaalsContact O-N 3.13Å; I206-S223 VanDerWaalsContact O-CA 3.27Å; I206-S223 WeakPolarHBondContact O-CA 3.21Å; I206-S223 VanDerWaalsContact O-CB 3.24Å; I206-S223 WeakPolarHBondContact O-CB 3.21Å | ||
| 207 | V | 94.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -82.5 | 88.5 | 167.3 | -169.8 | 0 | 0 | 0 | 0 | 109.9 | F160 S161 T181 G184 S185 I186 H203 D205 L210 | F160-V207 WeakPolarHBondContact CB-O 3.2Å; S161-V207 PolarHBondContact OG-O 3.44Å; T181-V207 PolarHBondContact O-N 3.32Å; G184-V207 VanDerWaalsContact C-CG2 3.45Å; S185-V207 WeakPolarHBondContact O-CG2 3.26Å; I186-V207 HydrophobicContact CG1-CG1 4.33Å; I186-V207 HydrophobicContact CG1-CG2 4.3Å; H203-V207 HydrophobicContact CB-CG2 4.49Å; D205-V207 PolarHBondContact O-N 3.43Å; V207-L210 HydrophobicContact CG1-CD2 4.31Å | ||
| 208 | S | 93.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | trans | -69.7 | -35.4 | -173.1 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | I206 C222 | I206-S208 PolarHBondContact O-N 2.93Å; I206-S208 VanDerWaalsContact O-N 3.13Å; S208-C222 PolarHBondContact N-O 2.86Å; S208-C222 PolarHBondContact OG-O 2.85Å; S208-C222 PolarHBondContact OG-SG 3.46Å | ||
| 209 | E | 95.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 19% | 0.192 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 149.8 | 179.1 | -81.3 | -83.3 | -172.2 | 0 | 0 | 108.8 | S221 C222 S253 H254 V255 R256 | E209-S221 CarbonylContact O-C 3.54Å; E209-S221 VanDerWaalsContact O-CA 3.26Å; E209-S221 WeakPolarHBondContact O-CA 3.49Å; E209-C222 PolarHBondContact O-N 2.89Å; E209-S253 WeakPolarHBondContact CG-O 3.39Å; E209-H254 IonicContact OE1-CE1 2.88Å; E209-H254 PolarHBondContact OE1-CE1 3.18Å; E209-H254 IonicContact OE1-ND1 2.91Å; E209-H254 PolarHBondContact OE1-ND1 3.32Å; E209-V255 HydrophobicContact CB-CG2 4.18Å; E209-R256 IonicContact OE1-NH2 3.34Å; E209-R256 IonicContact OE2-CZ 3.96Å; E209-R256 IonicContact OE2-NH1 2.9Å; E209-R256 PolarHBondContact OE2-NH1 2.88Å; E209-R256 IonicContact OE2-NH2 2.77Å; E209-R256 PolarHBondContact OE2-NH2 2.86Å; E209-R256 VanDerWaalsContact OE2-NH2 3.09Å |
| 210 | L | 97.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 157 | 173.6 | 63.8 | 84.4 | 0 | 0 | 0 | 110.4 | S161 L163 L178 V207 V220 | S161-L210 WeakPolarHBondContact OG-CD2 3.49Å; L163-L210 HydrophobicContact CB-CD1 3.53Å; L163-L210 HydrophobicContact CD2-CD1 3.85Å; L163-L210 HydrophobicContact CG-CD1 4.36Å; L178-L210 HydrophobicContact CB-CD1 3.93Å; L178-L210 HydrophobicContact CD1-CD1 4.42Å; V207-L210 HydrophobicContact CG1-CD2 4.31Å; L210-V220 CarbonylContact C-O 3.55Å; L210-V220 WeakPolarHBondContact CA-O 3.12Å; L210-V220 WeakPolarHBondContact CB-O 3.49Å |
| 211 | D | 97.6 | Very high | 95 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.139 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.8 | 172 | -164.4 | 10.8 | 0 | 0 | 0 | 109.7 | G219 V220 R256 I257 | D211-G219 CarbonylContact O-C 3.52Å; D211-G219 VanDerWaalsContact O-CA 3.23Å; D211-G219 WeakPolarHBondContact O-CA 3.32Å; D211-V220 HydrophobicContact CB-CG2 4Å; D211-V220 PolarHBondContact N-O 3.08Å; D211-V220 PolarHBondContact O-N 3Å; D211-R256 VanDerWaalsContact OD2-CA 3.25Å; D211-R256 WeakPolarHBondContact OD2-CA 3.44Å; D211-I257 HydrophobicContact CB-CG1 4.31Å; D211-I257 PolarHBondContact OD2-N 2.84Å |
| 212 | F | 97.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 33 Ų | 33 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137.2 | -173.3 | -170.1 | -99.7 | 0 | 0 | 0 | 112.6 | L163 I165 F172 L178 T214 I218 W231 I233 | L163-F212 HydrophobicContact CD2-CB 3.85Å; I165-F212 HydrophobicContact CD1-CD1 4.01Å; I165-F212 HydrophobicContact CD1-CE1 4.14Å; I165-F212 HydrophobicContact CG2-CB 4.38Å; I165-F212 HydrophobicContact CG2-CD1 4.24Å; F172-F212 HydrophobicContact CD2-CE1 4.24Å; F172-F212 HydrophobicContact CE1-CE1 4.35Å; F172-F212 AromaticContact CE2-CE1 3.48Å; F172-F212 HydrophobicContact CE2-CE1 3.48Å; F172-F212 VanDerWaalsContact CE2-CE1 3.48Å; F172-F212 AromaticContact CE2-CZ 3.81Å; F172-F212 HydrophobicContact CE2-CZ 3.81Å; F172-F212 AromaticContact CZ-CE1 3.53Å; F172-F212 HydrophobicContact CZ-CE1 3.53Å; F172-F212 AromaticContact CZ-CZ 3.59Å; F172-F212 HydrophobicContact CZ-CZ 3.59Å; L178-F212 HydrophobicContact CD1-CB 3.55Å; L178-F212 HydrophobicContact CD1-CD1 4.27Å; L178-F212 HydrophobicContact CD1-CD2 4.12Å; L178-F212 HydrophobicContact CD1-CG 3.73Å; F212-T214 HydrophobicContact CD1-CG2 4.22Å; F212-T214 HydrophobicContact CE1-CG2 4.26Å; F212-I218 VanDerWaalsContact CD2-C 3.47Å; F212-I218 VanDerWaalsContact CD2-O 3.31Å; F212-I218 WeakPolarHBondContact CD2-O 3.26Å; F212-W231 HydrophobicContact CD2-CE3 4.39Å; F212-W231 AromaticContact CD2-CH2 3.47Å; F212-W231 HydrophobicContact CD2-CH2 3.47Å; F212-W231 VanDerWaalsContact CD2-CH2 3.47Å; F212-W231 HydrophobicContact CD2-CZ2 4.3Å; F212-W231 AromaticContact CD2-CZ3 3.53Å; F212-W231 HydrophobicContact CD2-CZ3 3.53Å; F212-W231 HydrophobicContact CE2-CE3 4.34Å; F212-W231 HydrophobicContact CE2-CH2 4.08Å; F212-W231 AromaticContact CE2-CZ3 3.63Å; F212-W231 HydrophobicContact CE2-CZ3 3.63Å; F212-W231 HydrophobicContact CG-CH2 4.32Å; F212-I233 HydrophobicContact CD2-CD1 4.4Å; F212-I233 HydrophobicContact CE1-CD1 4.44Å; F212-I233 HydrophobicContact CE2-CB 4.41Å; F212-I233 HydrophobicContact CE2-CD1 3.68Å; F212-I233 HydrophobicContact CE2-CG1 3.93Å; F212-I233 HydrophobicContact CZ-CB 4.2Å; F212-I233 HydrophobicContact CZ-CD1 3.7Å; F212-I233 HydrophobicContact CZ-CG1 4.1Å |
| 213 | S | 95.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114.3 | 170.9 | 169.9 | 0 | 0 | 0 | 0 | 109.3 | R216 S217 I218 | S213-R216 PolarHBondContact OG-N 2.83Å; S213-S217 VanDerWaalsContact O-CA 3.29Å; S213-S217 WeakPolarHBondContact O-CA 3.38Å; S213-S217 PolarHBondContact O-N 3.3Å; S213-I218 PolarHBondContact N-O 2.79Å; S213-I218 PolarHBondContact O-N 2.95Å |
| 214 | T | 93.9 | Very high | 95 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 16% | 0.16 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -44.9 | 178.1 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | I165 D167 F172 F212 R216 S217 | I165-T214 HydrophobicContact CB-CG2 4.19Å; D167-T214 HydrophobicContact CB-CG2 3.91Å; D167-T214 PolarHBondContact OD2-OG1 2.88Å; F172-T214 HydrophobicContact CB-CG2 4.36Å; F172-T214 HydrophobicContact CD2-CG2 3.88Å; F172-T214 HydrophobicContact CG-CG2 4.3Å; F212-T214 HydrophobicContact CD1-CG2 4.22Å; F212-T214 HydrophobicContact CE1-CG2 4.26Å; T214-R216 VanDerWaalsContact C-N 3.33Å; T214-R216 PolarHBondContact O-N 3.34Å; T214-S217 PolarHBondContact O-N 3.01Å; T214-S217 PolarHBondContact O-OG 3.13Å |
| 215 | E | 90.1 | Very high | 95 | Very high | 119 Ų | 119 | 28.1 Ų | 28.1 | 56% | 0.556 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -46.1 | 178.7 | -179.9 | 174.1 | -155.3 | 0 | 0 | 112.1 | ||
| 216 | R | 91.3 | Very high | 95.1 | Very high | 73 Ų | 73 | 26.2 Ų | 26.2 | 28% | 0.275 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -9.8 | -178.7 | -67.1 | 166 | 168.5 | -150.2 | -21.5 | 113.6 | S213 T214 I218 G260 D261 V262 | S213-R216 PolarHBondContact OG-N 2.83Å; T214-R216 VanDerWaalsContact C-N 3.33Å; T214-R216 PolarHBondContact O-N 3.34Å; R216-I218 HydrophobicContact CB-CB 4.29Å; R216-I218 HydrophobicContact CB-CG2 3.58Å; R216-I218 PolarHBondContact O-N 2.89Å; R216-G260 VanDerWaalsContact CZ-O 3.28Å; R216-G260 PolarHBondContact NE-O 3.37Å; R216-D261 PolarHBondContact NH2-O 2.88Å; R216-V262 PolarHBondContact NH1-O 3.12Å; R216-V262 PolarHBondContact NH2-O 3.27Å |
| 217 | S | 95.4 | Very high | 95.3 | Very high | 27 Ų | 27 | 24.5 Ų | 24.5 | 19% | 0.189 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.7 | -170.1 | -67.7 | 0 | 0 | 0 | 0 | 113.3 | K171 S213 T214 T232 I233 | K171-S217 WeakPolarHBondContact CE-OG 3.37Å; K171-S217 PolarHBondContact NZ-OG 3.34Å; S213-S217 VanDerWaalsContact O-CA 3.29Å; S213-S217 WeakPolarHBondContact O-CA 3.38Å; S213-S217 PolarHBondContact O-N 3.3Å; T214-S217 PolarHBondContact O-N 3.01Å; T214-S217 PolarHBondContact O-OG 3.13Å; S217-T232 VanDerWaalsContact O-CA 3.28Å; S217-T232 WeakPolarHBondContact O-CA 3.38Å; S217-T232 WeakPolarHBondContact O-CB 3.34Å; S217-I233 PolarHBondContact O-N 3.18Å; S217-I233 VanDerWaalsContact O-N 3.13Å |
| 218 | I | 96.5 | Very high | 95.5 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.2 | -177.3 | -163.5 | 169.3 | 0 | 0 | 0 | 110.4 | F212 S213 R216 V230 W231 T232 I257 L279 | F212-I218 VanDerWaalsContact CD2-C 3.47Å; F212-I218 VanDerWaalsContact CD2-O 3.31Å; F212-I218 WeakPolarHBondContact CD2-O 3.26Å; S213-I218 PolarHBondContact N-O 2.79Å; S213-I218 PolarHBondContact O-N 2.95Å; R216-I218 HydrophobicContact CB-CB 4.29Å; R216-I218 HydrophobicContact CB-CG2 3.58Å; R216-I218 PolarHBondContact O-N 2.89Å; I218-V230 HydrophobicContact CD1-CG1 3.64Å; I218-V230 HydrophobicContact CG1-CG1 3.69Å; I218-W231 CarbonylContact C-O 3.6Å; I218-W231 WeakPolarHBondContact CA-O 3.4Å; I218-W231 WeakPolarHBondContact CG1-O 3.31Å; I218-T232 HydrophobicContact CB-CG2 4.49Å; I218-T232 HydrophobicContact CG1-CG2 4.23Å; I218-I257 HydrophobicContact CG2-CD1 4.33Å; I218-I257 VanDerWaalsContact O-CD1 3.25Å; I218-I257 WeakPolarHBondContact O-CD1 3.49Å; I218-L279 HydrophobicContact CD1-CB 3.91Å; I218-L279 HydrophobicContact CD1-CD1 4.44Å; I218-L279 HydrophobicContact CD1-CD2 4.25Å; I218-L279 HydrophobicContact CD1-CG 4.44Å; I218-L279 HydrophobicContact CG2-CD1 4.28Å |
| 219 | G | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 155.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D211 V230 W231 | D211-G219 CarbonylContact O-C 3.52Å; D211-G219 VanDerWaalsContact O-CA 3.23Å; D211-G219 WeakPolarHBondContact O-CA 3.32Å; G219-V230 WeakPolarHBondContact O-CA 3.35Å; G219-V230 WeakPolarHBondContact O-CG1 3.34Å; G219-W231 PolarHBondContact N-O 2.76Å; G219-W231 PolarHBondContact O-N 3.04Å |
| 220 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147 | 169.4 | -62.8 | 0 | 0 | 0 | 0 | 108.8 | L210 D211 S229 V230 V255 I257 F265 L279 | L210-V220 CarbonylContact C-O 3.55Å; L210-V220 WeakPolarHBondContact CA-O 3.12Å; L210-V220 WeakPolarHBondContact CB-O 3.49Å; D211-V220 HydrophobicContact CB-CG2 4Å; D211-V220 PolarHBondContact N-O 3.08Å; D211-V220 PolarHBondContact O-N 3Å; V220-S229 CarbonylContact C-O 3.43Å; V220-S229 VanDerWaalsContact CA-O 3.28Å; V220-S229 WeakPolarHBondContact CA-O 3.5Å; V220-V230 HydrophobicContact CG1-CG1 4.37Å; V220-V230 HydrophobicContact CG1-CG2 4.28Å; V220-V255 HydrophobicContact CG2-CB 3.87Å; V220-V255 HydrophobicContact CG2-CG2 3.85Å; V220-I257 HydrophobicContact CB-CG1 4.39Å; V220-I257 HydrophobicContact CG1-CD1 4.19Å; V220-I257 HydrophobicContact CG1-CG1 4.03Å; V220-I257 HydrophobicContact CG2-CD1 4.09Å; V220-I257 HydrophobicContact CG2-CG1 3.56Å; V220-F265 HydrophobicContact CB-CD2 4.48Å; V220-F265 HydrophobicContact CG1-CB 4.28Å; V220-F265 HydrophobicContact CG1-CD1 4.36Å; V220-F265 HydrophobicContact CG1-CD2 4.08Å; V220-F265 HydrophobicContact CG1-CE2 4.49Å; V220-F265 HydrophobicContact CG1-CG 4Å; V220-L279 HydrophobicContact CG1-CD2 3.5Å; V220-L279 VanDerWaalsContact CG1-CD2 3.5Å |
| 221 | S | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 153.9 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | H203 E209 V228 S229 W231 | H203-S221 PolarHBondContact NE2-O 3.26Å; H203-S221 PolarHBondContact NE2-OG 2.87Å; E209-S221 CarbonylContact O-C 3.54Å; E209-S221 VanDerWaalsContact O-CA 3.26Å; E209-S221 WeakPolarHBondContact O-CA 3.49Å; S221-V228 CarbonylContact O-C 3.57Å; S221-V228 WeakPolarHBondContact O-CA 3.28Å; S221-S229 PolarHBondContact N-O 3.29Å; S221-S229 PolarHBondContact O-N 2.95Å; S221-W231 PolarHBondContact OG-NE1 2.84Å |
| 222 | C | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 145.4 | 174.6 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | S208 E209 G227 V228 V252 V255 | S208-C222 PolarHBondContact N-O 2.86Å; S208-C222 PolarHBondContact OG-O 2.85Å; S208-C222 PolarHBondContact OG-SG 3.46Å; E209-C222 PolarHBondContact O-N 2.89Å; C222-G227 CarbonylContact C-O 3.54Å; C222-G227 VanDerWaalsContact CA-O 3.23Å; C222-G227 WeakPolarHBondContact CA-O 3.23Å; C222-V228 HydrophobicContact CB-CG2 4.04Å; C222-V252 HydrophobicContact CB-CB 4.25Å; C222-V252 HydrophobicContact CB-CG1 3.81Å; C222-V255 HydrophobicContact CB-CG1 3.71Å |
| 223 | S | 95.8 | Very high | 96 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.9 | 171.5 | 155 | 0 | 0 | 0 | 0 | 109.1 | I206 A225 D226 G227 | I206-S223 VanDerWaalsContact O-CA 3.27Å; I206-S223 WeakPolarHBondContact O-CA 3.21Å; I206-S223 VanDerWaalsContact O-CB 3.24Å; I206-S223 WeakPolarHBondContact O-CB 3.21Å; S223-A225 PolarHBondContact O-N 3.01Å; S223-A225 PolarHBondContact OG-N 3.06Å; S223-D226 PolarHBondContact O-N 3.19Å; S223-D226 PolarHBondContact OG-N 3.4Å; S223-D226 VanDerWaalsContact OG-N 3.09Å; S223-D226 PolarHBondContact OG-OD2 3.44Å; S223-D226 VanDerWaalsContact OG-OD2 3.05Å; S223-G227 PolarHBondContact N-O 2.77Å; S223-G227 PolarHBondContact O-N 2.88Å |
| 224 | P | 93.1 | Very high | 96 | Very high | 36 Ų | 36 | 23.1 Ų | 23.1 | 23% | 0.234 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24 | 177.9 | -27.9 | 38 | 0 | 0 | 0 | 114.9 | K247 V251 | P224-K247 WeakPolarHBondContact O-CD 3.32Å; P224-K247 PolarHBondContact O-NZ 2.83Å; P224-K247 VanDerWaalsContact O-NZ 3.12Å; P224-V251 HydrophobicContact CB-CG1 3.68Å; P224-V251 HydrophobicContact CG-CG1 4.4Å |
| 225 | A | 93.3 | Very high | 96 | Very high | 40 Ų | 40 | 31.1 Ų | 31.1 | 33% | 0.331 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -37 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D205 S223 K247 | D205-A225 HydrophobicContact CB-CB 3.71Å; D205-A225 WeakPolarHBondContact OD2-CB 3.5Å; S223-A225 PolarHBondContact O-N 3.01Å; S223-A225 PolarHBondContact OG-N 3.06Å; A225-K247 VanDerWaalsContact O-CD 3.29Å; A225-K247 WeakPolarHBondContact O-CD 3.39Å |
| 226 | D | 94.7 | Very high | 96.3 | Very high | 27 Ų | 27 | 28 Ų | 28 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -38.8 | -169.7 | -58.3 | -49.7 | 0 | 0 | 0 | 113.7 | H203 K204 D205 S223 F244 K247 | H203-D226 WeakPolarHBondContact CB-OD2 3.25Å; K204-D226 WeakPolarHBondContact CA-OD2 3.43Å; K204-D226 PolarHBondContact N-OD2 2.61Å; D205-D226 PolarHBondContact N-OD2 3.17Å; S223-D226 PolarHBondContact O-N 3.19Å; S223-D226 PolarHBondContact OG-N 3.4Å; S223-D226 VanDerWaalsContact OG-N 3.09Å; S223-D226 PolarHBondContact OG-OD2 3.44Å; S223-D226 VanDerWaalsContact OG-OD2 3.05Å; D226-F244 HydrophobicContact CB-CE2 4.06Å; D226-F244 HydrophobicContact CB-CZ 4.03Å; D226-F244 WeakPolarHBondContact O-CZ 3.25Å; D226-K247 WeakPolarHBondContact O-CB 3.42Å; D226-K247 PolarHBondContact O-N 3.42Å |
| 227 | G | 96.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 120.3 | -141.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C222 S223 | C222-G227 CarbonylContact C-O 3.54Å; C222-G227 VanDerWaalsContact CA-O 3.23Å; C222-G227 WeakPolarHBondContact CA-O 3.23Å; S223-G227 PolarHBondContact N-O 2.77Å; S223-G227 PolarHBondContact O-N 2.88Å |
| 228 | V | 97.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.6 | -173 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | S221 C222 L245 V252 V255 F265 I267 | S221-V228 CarbonylContact O-C 3.57Å; S221-V228 WeakPolarHBondContact O-CA 3.28Å; C222-V228 HydrophobicContact CB-CG2 4.04Å; V228-L245 HydrophobicContact CB-CB 4.26Å; V228-L245 PolarHBondContact N-O 3.39Å; V228-L245 PolarHBondContact O-N 2.81Å; V228-V252 HydrophobicContact CG2-CB 4.14Å; V228-V252 HydrophobicContact CG2-CG1 3.96Å; V228-V252 HydrophobicContact CG2-CG2 3.86Å; V228-V255 HydrophobicContact CG1-CG1 4.28Å; V228-V255 HydrophobicContact CG2-CG1 4.44Å; V228-F265 HydrophobicContact CG1-CE2 3.9Å; V228-F265 HydrophobicContact CG1-CZ 4.28Å; V228-I267 HydrophobicContact CG2-CG2 4.27Å |
| 229 | S | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.3 | 175.6 | -69 | 0 | 0 | 0 | 0 | 110.3 | I202 H203 V220 S221 Q241 R243 F244 | I202-S229 WeakPolarHBondContact CG2-OG 3.44Å; H203-S229 PolarHBondContact CE1-OG 3.34Å; V220-S229 CarbonylContact C-O 3.43Å; V220-S229 VanDerWaalsContact CA-O 3.28Å; V220-S229 WeakPolarHBondContact CA-O 3.5Å; S221-S229 PolarHBondContact N-O 3.29Å; S221-S229 PolarHBondContact O-N 2.95Å; S229-Q241 PolarHBondContact OG-NE2 2.89Å; S229-R243 WeakPolarHBondContact CA-O 3.42Å; S229-F244 WeakPolarHBondContact OG-CD2 3.49Å |
| 230 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138.1 | 164 | -167.4 | 0 | 0 | 0 | 0 | 107.2 | I218 G219 V220 T242 R243 F265 L279 | I218-V230 HydrophobicContact CD1-CG1 3.64Å; I218-V230 HydrophobicContact CG1-CG1 3.69Å; G219-V230 WeakPolarHBondContact O-CA 3.35Å; G219-V230 WeakPolarHBondContact O-CG1 3.34Å; V220-V230 HydrophobicContact CG1-CG1 4.37Å; V220-V230 HydrophobicContact CG1-CG2 4.28Å; V230-T242 PolarHBondContact O-N 3.27Å; V230-T242 PolarHBondContact O-OG1 2.86Å; V230-R243 HydrophobicContact CB-CB 4.01Å; V230-R243 HydrophobicContact CG2-CB 4.2Å; V230-R243 PolarHBondContact N-O 3.01Å; V230-R243 PolarHBondContact O-N 2.87Å; V230-R243 VanDerWaalsContact O-N 3.09Å; V230-F265 HydrophobicContact CG2-CE1 4.43Å; V230-L279 HydrophobicContact CG1-CD2 4.28Å |
| 231 | W | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 161.7 | -174.3 | 49.3 | -87.2 | 0 | 0 | 0 | 110.1 | L178 I186 I202 F212 I218 G219 S221 I233 I239 Q240 | L178-W231 HydrophobicContact CD1-CH2 3.72Å; L178-W231 HydrophobicContact CD2-CH2 3.76Å; L178-W231 HydrophobicContact CD2-CZ3 4.22Å; L178-W231 HydrophobicContact CG-CH2 4.36Å; I186-W231 HydrophobicContact CD1-CD2 4.09Å; I186-W231 VanDerWaalsContact CD1-CE2 3.41Å; I186-W231 HydrophobicContact CD1-CG 4.38Å; I186-W231 HydrophobicContact CD1-CZ2 3.67Å; I186-W231 VanDerWaalsContact CD1-NE1 3.34Å; I186-W231 HydrophobicContact CG2-CH2 4.23Å; I186-W231 HydrophobicContact CG2-CZ2 4.29Å; I202-W231 HydrophobicContact CD1-CB 4.13Å; F212-W231 HydrophobicContact CD2-CE3 4.39Å; F212-W231 AromaticContact CD2-CH2 3.47Å; F212-W231 HydrophobicContact CD2-CH2 3.47Å; F212-W231 VanDerWaalsContact CD2-CH2 3.47Å; F212-W231 HydrophobicContact CD2-CZ2 4.3Å; F212-W231 AromaticContact CD2-CZ3 3.53Å; F212-W231 HydrophobicContact CD2-CZ3 3.53Å; F212-W231 HydrophobicContact CE2-CE3 4.34Å; F212-W231 HydrophobicContact CE2-CH2 4.08Å; F212-W231 AromaticContact CE2-CZ3 3.63Å; F212-W231 HydrophobicContact CE2-CZ3 3.63Å; F212-W231 HydrophobicContact CG-CH2 4.32Å; I218-W231 CarbonylContact C-O 3.6Å; I218-W231 WeakPolarHBondContact CA-O 3.4Å; I218-W231 WeakPolarHBondContact CG1-O 3.31Å; G219-W231 PolarHBondContact N-O 2.76Å; G219-W231 PolarHBondContact O-N 3.04Å; S221-W231 PolarHBondContact OG-NE1 2.84Å; W231-I233 HydrophobicContact CE3-CG1 4.2Å; W231-I233 HydrophobicContact CZ3-CD1 3.7Å; W231-I233 HydrophobicContact CZ3-CG1 3.75Å; W231-I239 HydrophobicContact CD2-CG2 4.3Å; W231-I239 HydrophobicContact CE3-CG2 3.81Å; W231-I239 HydrophobicContact CZ3-CG2 4.41Å; W231-Q240 CarbonylContact C-O 3.59Å; W231-Q240 WeakPolarHBondContact CA-O 3.34Å; W231-Q240 WeakPolarHBondContact CB-O 3.34Å |
| 232 | T | 97.7 | Very high | 96.5 | Very high | 41 Ų | 41 | 40 Ų | 40 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 160.6 | 178.8 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | S217 I218 I239 Q240 T242 | S217-T232 VanDerWaalsContact O-CA 3.28Å; S217-T232 WeakPolarHBondContact O-CA 3.38Å; S217-T232 WeakPolarHBondContact O-CB 3.34Å; I218-T232 HydrophobicContact CB-CG2 4.49Å; I218-T232 HydrophobicContact CG1-CG2 4.23Å; T232-I239 CarbonylContact O-C 3.59Å; T232-I239 WeakPolarHBondContact O-CA 3.34Å; T232-Q240 PolarHBondContact N-O 3.13Å; T232-Q240 PolarHBondContact O-N 3.23Å; T232-T242 HydrophobicContact CG2-CG2 3.76Å |
| 233 | I | 98 | Very high | 96.4 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.1 | 167.8 | -64.9 | 173.5 | 0 | 0 | 0 | 107.2 | K171 F172 L178 L188 F212 S217 W231 F237 C238 I239 | K171-I233 PolarHBondContact NZ-O 2.77Å; F172-I233 HydrophobicContact CE1-CD1 4.19Å; F172-I233 HydrophobicContact CE1-CG2 4.3Å; F172-I233 HydrophobicContact CZ-CB 4.13Å; F172-I233 HydrophobicContact CZ-CD1 4.07Å; F172-I233 HydrophobicContact CZ-CG2 4.04Å; L178-I233 HydrophobicContact CD2-CD1 4.13Å; L188-I233 HydrophobicContact CD2-CD1 4.06Å; L188-I233 HydrophobicContact CD2-CG2 4.35Å; F212-I233 HydrophobicContact CD2-CD1 4.4Å; F212-I233 HydrophobicContact CE1-CD1 4.44Å; F212-I233 HydrophobicContact CE2-CB 4.41Å; F212-I233 HydrophobicContact CE2-CD1 3.68Å; F212-I233 HydrophobicContact CE2-CG1 3.93Å; F212-I233 HydrophobicContact CZ-CB 4.2Å; F212-I233 HydrophobicContact CZ-CD1 3.7Å; F212-I233 HydrophobicContact CZ-CG1 4.1Å; S217-I233 PolarHBondContact O-N 3.18Å; S217-I233 VanDerWaalsContact O-N 3.13Å; W231-I233 HydrophobicContact CE3-CG1 4.2Å; W231-I233 HydrophobicContact CZ3-CD1 3.7Å; W231-I233 HydrophobicContact CZ3-CG1 3.75Å; I233-F237 HydrophobicContact CG2-CB 4.43Å; I233-F237 HydrophobicContact CG2-CD1 4.29Å; I233-C238 WeakPolarHBondContact CA-O 3.19Å; I233-I239 HydrophobicContact CD1-CG1 4.33Å; I233-I239 HydrophobicContact CG1-CG1 3.92Å |
| 234 | D | 96.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 48 Ų | 48 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | trans | -82.9 | -176.9 | 177.4 | 75.3 | 13.6 | 0 | 0 | 0 | 112.7 | K171 G236 F237 C238 | K171-D234 WeakPolarHBondContact CE-O 3.49Å; K171-D234 VanDerWaalsContact NZ-C 3.25Å; K171-D234 PolarHBondContact NZ-O 3.25Å; D234-G236 PolarHBondContact O-N 3.1Å; D234-G236 VanDerWaalsContact OD1-C 3.25Å; D234-G236 VanDerWaalsContact OD1-CA 3.25Å; D234-G236 WeakPolarHBondContact OD1-CA 3.25Å; D234-G236 PolarHBondContact OD1-N 2.96Å; D234-F237 PolarHBondContact O-N 2.87Å; D234-F237 VanDerWaalsContact O-N 3.16Å; D234-F237 PolarHBondContact OD1-N 2.85Å; D234-C238 PolarHBondContact N-O 2.83Å; D234-C238 PolarHBondContact OD1-N 3.02Å; D234-C238 WeakPolarHBondContact OD2-CB 3.28Å | ||
| 235 | K | 94 | Very high | 96.6 | Very high | 195 Ų | 195 | 48 Ų | 48 | 85% | 0.848 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.3 | 179.3 | -69.3 | -175.9 | 179.6 | -179.8 | 0 | 113.5 | F237 | K235-F237 PolarHBondContact O-N 2.88Š|
| 236 | G | 95.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 9.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D234 C238 | D234-G236 PolarHBondContact O-N 3.1Å; D234-G236 VanDerWaalsContact OD1-C 3.25Å; D234-G236 VanDerWaalsContact OD1-CA 3.25Å; D234-G236 WeakPolarHBondContact OD1-CA 3.25Å; D234-G236 PolarHBondContact OD1-N 2.96Å; G236-C238 PolarHBondContact O-N 2.9Å |
| 237 | F | 96.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 16% | 0.158 | 28% | 0.279 | C | S | . | . | trans | 67.2 | 12.2 | -176.3 | -59.7 | -71.5 | 0 | 0 | 0 | 115.2 | K171 F172 F176 L188 V197 S198 I233 D234 K235 I239 | K171-F237 HydrophobicContact CB-CE1 4.47Å; K171-F237 HydrophobicContact CB-CZ 4.48Å; K171-F237 HydrophobicContact CD-CE1 4.29Å; K171-F237 HydrophobicContact CG-CE1 4.09Å; F172-F237 HydrophobicContact CD1-CE1 4.1Å; F172-F237 HydrophobicContact CE1-CD1 4.12Å; F172-F237 HydrophobicContact CE1-CE1 4.05Å; F176-F237 HydrophobicContact CE1-CD1 4.26Å; F176-F237 AromaticContact CE1-CE1 3.94Å; F176-F237 HydrophobicContact CE1-CE1 3.94Å; F176-F237 HydrophobicContact CE1-CZ 4.15Å; F176-F237 HydrophobicContact CE2-CE1 4.26Å; F176-F237 HydrophobicContact CE2-CZ 4.37Å; F176-F237 HydrophobicContact CZ-CD1 4.43Å; F176-F237 AromaticContact CZ-CE1 3.67Å; F176-F237 HydrophobicContact CZ-CE1 3.67Å; F176-F237 HydrophobicContact CZ-CE2 4.34Å; F176-F237 AromaticContact CZ-CZ 3.61Å; F176-F237 HydrophobicContact CZ-CZ 3.61Å; L188-F237 HydrophobicContact CD2-CB 3.89Å; L188-F237 HydrophobicContact CD2-CD1 3.84Å; L188-F237 HydrophobicContact CD2-CG 4.24Å; V197-F237 HydrophobicContact CG2-CB 4.22Å; S198-F237 WeakPolarHBondContact CB-O 3.23Å; S198-F237 PolarHBondContact OG-O 3.39Å; I233-F237 HydrophobicContact CG2-CB 4.43Å; I233-F237 HydrophobicContact CG2-CD1 4.29Å; D234-F237 PolarHBondContact O-N 2.87Å; D234-F237 VanDerWaalsContact O-N 3.16Å; D234-F237 PolarHBondContact OD1-N 2.85Å; K235-F237 PolarHBondContact O-N 2.88Å; F237-I239 PolarHBondContact O-N 2.85Å | ||
| 238 | C | 96.5 | Very high | 95.8 | Very high | 57 Ų | 57 | 58 Ų | 58 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | trans | -71.5 | 127.2 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | I233 D234 G236 | I233-C238 WeakPolarHBondContact CA-O 3.19Å; D234-C238 PolarHBondContact N-O 2.83Å; D234-C238 PolarHBondContact OD1-N 3.02Å; D234-C238 WeakPolarHBondContact OD2-CB 3.28Å; G236-C238 PolarHBondContact O-N 2.9Å | ||
| 239 | I | 98 | Very high | 95.1 | Very high | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.7 | 173.4 | -60.2 | 162.2 | 0 | 0 | 0 | 109.1 | I186 L188 S198 T200 I202 W231 T232 I233 F237 | I186-I239 HydrophobicContact CB-CD1 4.31Å; I186-I239 HydrophobicContact CG2-CD1 3.96Å; I186-I239 WeakPolarHBondContact O-CD1 3.23Å; L188-I239 HydrophobicContact CB-CD1 4.16Å; S198-I239 PolarHBondContact OG-N 3.2Å; T200-I239 PolarHBondContact OG1-O 3.22Å; I202-I239 HydrophobicContact CD1-CG2 4.07Å; I202-I239 HydrophobicContact CG1-CG2 4.33Å; W231-I239 HydrophobicContact CD2-CG2 4.3Å; W231-I239 HydrophobicContact CE3-CG2 3.81Å; W231-I239 HydrophobicContact CZ3-CG2 4.41Å; T232-I239 CarbonylContact O-C 3.59Å; T232-I239 WeakPolarHBondContact O-CA 3.34Å; I233-I239 HydrophobicContact CD1-CG1 4.33Å; I233-I239 HydrophobicContact CG1-CG1 3.92Å; F237-I239 PolarHBondContact O-N 2.85Å |
| 240 | Q | 97.5 | Very high | 94.6 | Very high | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.3 | 177.5 | -65.7 | -175.9 | -4.5 | 0 | 0 | 111.1 | W231 T232 T242 | W231-Q240 CarbonylContact C-O 3.59Å; W231-Q240 WeakPolarHBondContact CA-O 3.34Å; W231-Q240 WeakPolarHBondContact CB-O 3.34Å; T232-Q240 PolarHBondContact N-O 3.13Å; T232-Q240 PolarHBondContact O-N 3.23Å; Q240-T242 PolarHBondContact O-N 3.34Å |
| 241 | Q | 97.4 | Very high | 94.4 | Very high | 86 Ų | 86 | 70.5 Ų | 70.5 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 123.5 | 170.6 | -167.1 | -180 | 41.5 | 0 | 0 | 109.5 | I202 S229 | I202-Q241 HydrophobicContact CD1-CB 3.69Å; I202-Q241 HydrophobicContact CD1-CG 4.43Å; I202-Q241 PolarHBondContact O-NE2 2.84Å; S229-Q241 PolarHBondContact OG-NE2 2.89Å |
| 242 | T | 96.4 | Very high | 94.2 | Very high | 82 Ų | 82 | 71.1 Ų | 71.1 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -23.4 | 177.2 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | V230 T232 Q240 | V230-T242 PolarHBondContact O-N 3.27Å; V230-T242 PolarHBondContact O-OG1 2.86Å; T232-T242 HydrophobicContact CG2-CG2 3.76Å; Q240-T242 PolarHBondContact O-N 3.34Å |
| 243 | R | 96 | Very high | 94 | Very high | 82 Ų | 82 | 70 Ų | 70 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 148.2 | -178.9 | -177 | 178.6 | -78.2 | -89.5 | -0.8 | 111.5 | S229 V230 L245 T280 S281 | S229-R243 WeakPolarHBondContact CA-O 3.42Å; V230-R243 HydrophobicContact CB-CB 4.01Å; V230-R243 HydrophobicContact CG2-CB 4.2Å; V230-R243 PolarHBondContact N-O 3.01Å; V230-R243 PolarHBondContact O-N 2.87Å; V230-R243 VanDerWaalsContact O-N 3.09Å; R243-L245 HydrophobicContact CG-CD2 4.33Å; R243-T280 PolarHBondContact NE-O 3.14Å; R243-T280 PolarHBondContact NH2-O 3.46Å; R243-S281 PolarHBondContact NH1-O 2.76Å; R243-S281 VanDerWaalsContact NH2-CA 3.34Å; R243-S281 PolarHBondContact NH2-O 2.89Å |
| 244 | F | 96.5 | Very high | 93.9 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 39% | 0.386 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.8 | 172.8 | -178.8 | -118.6 | 0 | 0 | 0 | 110.1 | D226 S229 P246 | D226-F244 HydrophobicContact CB-CE2 4.06Å; D226-F244 HydrophobicContact CB-CZ 4.03Å; D226-F244 WeakPolarHBondContact O-CZ 3.25Å; S229-F244 WeakPolarHBondContact OG-CD2 3.49Å; F244-P246 HydrophobicContact CD1-CG 4Å; F244-P246 HydrophobicContact CE1-CB 4.09Å; F244-P246 HydrophobicContact CE1-CG 3.85Å |
| 245 | L | 95.6 | Very high | 93.9 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 100.7 | 175.5 | -57.9 | 177.7 | 0 | 0 | 0 | 107.3 | V228 R243 F265 L277 | V228-L245 HydrophobicContact CB-CB 4.26Å; V228-L245 PolarHBondContact N-O 3.39Å; V228-L245 PolarHBondContact O-N 2.81Å; R243-L245 HydrophobicContact CG-CD2 4.33Å; L245-F265 HydrophobicContact CD1-CZ 3.92Å; L245-L277 HydrophobicContact CD1-CD2 3.68Å |
| 246 | P | 93.6 | Very high | 94.1 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 49% | 0.494 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 149.2 | -176.1 | -24.6 | 32.8 | 0 | 0 | 0 | 112.6 | F244 Q248 | F244-P246 HydrophobicContact CD1-CG 4Å; F244-P246 HydrophobicContact CE1-CB 4.09Å; F244-P246 HydrophobicContact CE1-CG 3.85Å; P246-Q248 PolarHBondContact O-N 2.95Å; P246-Q248 PolarHBondContact O-NE2 3.12Å |
| 247 | K | 88.9 | Confident | 94.1 | Very high | 100 Ų | 100 | 58.5 Ų | 58.5 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | trans | -44.7 | 130.8 | 176.4 | 173.3 | 173.8 | 175.9 | 171 | 0 | 111.5 | P224 A225 D226 | P224-K247 WeakPolarHBondContact O-CD 3.32Å; P224-K247 PolarHBondContact O-NZ 2.83Å; P224-K247 VanDerWaalsContact O-NZ 3.12Å; A225-K247 VanDerWaalsContact O-CD 3.29Å; A225-K247 WeakPolarHBondContact O-CD 3.39Å; D226-K247 WeakPolarHBondContact O-CB 3.42Å; D226-K247 PolarHBondContact O-N 3.42Å | ||
| 248 | Q | 85 | Confident | 94 | Very high | 103 Ų | 103 | 56.9 Ų | 56.9 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | trans | -93.6 | 179.4 | 174.1 | -56.9 | -65.6 | -62.3 | 0 | 0 | 109.8 | P246 S250 | P246-Q248 PolarHBondContact O-N 2.95Å; P246-Q248 PolarHBondContact O-NE2 3.12Å; Q248-S250 VanDerWaalsContact C-N 3.28Å; Q248-S250 PolarHBondContact O-N 2.98Å | ||
| 249 | Q | 83.5 | Confident | 93.6 | Very high | 206 Ų | 206 | 56.3 Ų | 56.3 | 96% | 0.963 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -54.5 | -42.7 | -178.6 | -173 | 178.4 | 13.3 | 0 | 0 | 113.1 | ||
| 250 | S | 87.8 | Confident | 92.9 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -96 | 141.6 | 174.6 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | Q248 V252 D269 S271 | Q248-S250 VanDerWaalsContact C-N 3.28Å; Q248-S250 PolarHBondContact O-N 2.98Å; S250-V252 PolarHBondContact O-N 3.09Å; S250-D269 VanDerWaalsContact CB-OD2 3.28Å; S250-D269 WeakPolarHBondContact CB-OD2 2.95Å; S250-D269 WeakPolarHBondContact OG-CB 3.4Å; S250-D269 PolarHBondContact OG-OD1 3.44Å; S250-D269 PolarHBondContact OG-OD2 3.23Å; S250-S271 PolarHBondContact OG-N 3.25Å |
| 251 | V | 93.2 | Very high | 92.1 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -74 | 123.1 | -179 | 168.4 | 0 | 0 | 0 | 0 | 110 | P224 S253 D269 R270 | P224-V251 HydrophobicContact CB-CG1 3.68Å; P224-V251 HydrophobicContact CG-CG1 4.4Å; V251-S253 PolarHBondContact O-N 3.35Å; V251-D269 CarbonylContact O-C 3.39Å; V251-D269 VanDerWaalsContact O-CA 3.23Å; V251-D269 WeakPolarHBondContact O-CA 3.19Å; V251-D269 WeakPolarHBondContact O-CB 3.1Å; V251-R270 HydrophobicContact CB-CG 4.12Å; V251-R270 HydrophobicContact CG1-CG 4.2Å; V251-R270 PolarHBondContact O-N 3.35Å |
| 252 | V | 95.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 126.7 | 170.2 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | C222 V228 S250 V255 I267 A268 | C222-V252 HydrophobicContact CB-CB 4.25Å; C222-V252 HydrophobicContact CB-CG1 3.81Å; V228-V252 HydrophobicContact CG2-CB 4.14Å; V228-V252 HydrophobicContact CG2-CG1 3.96Å; V228-V252 HydrophobicContact CG2-CG2 3.86Å; S250-V252 PolarHBondContact O-N 3.09Å; V252-V255 HydrophobicContact CG1-CG1 3.99Å; V252-I267 HydrophobicContact CG1-CB 3.98Å; V252-I267 HydrophobicContact CG1-CG2 4.41Å; V252-I267 HydrophobicContact CG2-CD1 4.07Å; V252-A268 CarbonylContact C-O 3.54Å; V252-A268 WeakPolarHBondContact CA-O 3.15Å |
| 253 | S | 93.7 | Very high | 91.4 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -22.3 | -179.2 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | E209 V251 A268 | E209-S253 WeakPolarHBondContact CG-O 3.39Å; V251-S253 PolarHBondContact O-N 3.35Å; S253-A268 PolarHBondContact N-O 3.31Å; S253-A268 PolarHBondContact OG-O 3.11Å |
| 254 | H | 95.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 151.1 | 174.4 | -55.4 | -83.1 | 0 | 0 | 0 | 112 | E209 I267 A268 V295 T296 L298 | E209-H254 IonicContact OE1-CE1 2.88Å; E209-H254 PolarHBondContact OE1-CE1 3.18Å; E209-H254 IonicContact OE1-ND1 2.91Å; E209-H254 PolarHBondContact OE1-ND1 3.32Å; H254-I267 WeakPolarHBondContact O-CA 3.28Å; H254-A268 HydrophobicContact CB-CB 4.21Å; H254-A268 PolarHBondContact N-O 3.48Å; H254-A268 PolarHBondContact O-N 3.16Å; H254-V295 PolarHBondContact NE2-O 2.9Å; H254-T296 PolarHBondContact CE1-O 3.29Å; H254-T296 VanDerWaalsContact CE1-O 3.28Å; H254-T296 PolarHBondContact NE2-O 3.39Å; H254-L298 HydrophobicContact CB-CB 3.9Å; H254-L298 HydrophobicContact CB-CD2 4.16Å |
| 255 | V | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135.2 | 174.1 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | E209 V220 C222 V228 V252 I266 I267 | E209-V255 HydrophobicContact CB-CG2 4.18Å; V220-V255 HydrophobicContact CG2-CB 3.87Å; V220-V255 HydrophobicContact CG2-CG2 3.85Å; C222-V255 HydrophobicContact CB-CG1 3.71Å; V228-V255 HydrophobicContact CG1-CG1 4.28Å; V228-V255 HydrophobicContact CG2-CG1 4.44Å; V252-V255 HydrophobicContact CG1-CG1 3.99Å; V255-I266 CarbonylContact C-O 3.38Å; V255-I266 WeakPolarHBondContact CA-O 3.29Å; V255-I267 HydrophobicContact CG1-CG2 3.92Å |
| 256 | R | 97 | Very high | 91.3 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 17% | 0.17 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 131.9 | 173.6 | -65.9 | -64.6 | 176.4 | -102.9 | 3.7 | 111.2 | E209 D211 F265 I266 L298 F300 | E209-R256 IonicContact OE1-NH2 3.34Å; E209-R256 IonicContact OE2-CZ 3.96Å; E209-R256 IonicContact OE2-NH1 2.9Å; E209-R256 PolarHBondContact OE2-NH1 2.88Å; E209-R256 IonicContact OE2-NH2 2.77Å; E209-R256 PolarHBondContact OE2-NH2 2.86Å; E209-R256 VanDerWaalsContact OE2-NH2 3.09Å; D211-R256 VanDerWaalsContact OD2-CA 3.25Å; D211-R256 WeakPolarHBondContact OD2-CA 3.44Å; R256-F265 CarbonylContact O-C 3.54Å; R256-F265 VanDerWaalsContact O-CA 3.31Å; R256-F265 WeakPolarHBondContact O-CA 3.42Å; R256-F265 WeakPolarHBondContact O-CB 3.34Å; R256-I266 PolarHBondContact N-O 3.05Å; R256-I266 PolarHBondContact O-N 2.87Å; R256-L298 HydrophobicContact CB-CD2 4.24Å; R256-L298 HydrophobicContact CG-CB 4.23Å; R256-L298 HydrophobicContact CG-CD2 3.93Å; R256-L298 HydrophobicContact CG-CG 3.95Å; R256-L298 WeakPolarHBondContact CG-O 3.45Å; R256-L298 PolarHBondContact NE-O 3.14Å; R256-F300 HydrophobicContact CB-CD2 3.93Å; R256-F300 HydrophobicContact CB-CE2 3.69Å |
| 257 | I | 96 | Very high | 91.4 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 135.4 | 173.3 | -61.4 | -178.5 | 0 | 0 | 0 | 107.9 | D211 I218 V220 P259 F265 L279 F300 | D211-I257 HydrophobicContact CB-CG1 4.31Å; D211-I257 PolarHBondContact OD2-N 2.84Å; I218-I257 HydrophobicContact CG2-CD1 4.33Å; I218-I257 VanDerWaalsContact O-CD1 3.25Å; I218-I257 WeakPolarHBondContact O-CD1 3.49Å; V220-I257 HydrophobicContact CB-CG1 4.39Å; V220-I257 HydrophobicContact CG1-CD1 4.19Å; V220-I257 HydrophobicContact CG1-CG1 4.03Å; V220-I257 HydrophobicContact CG2-CD1 4.09Å; V220-I257 HydrophobicContact CG2-CG1 3.56Å; I257-P259 WeakPolarHBondContact O-CD 3.27Å; I257-F265 HydrophobicContact CG1-CB 4.41Å; I257-L279 HydrophobicContact CG1-CD2 4.39Å; I257-L279 HydrophobicContact CG2-CD1 4.2Å; I257-F300 WeakPolarHBondContact O-CD2 3.41Å; I257-F300 VanDerWaalsContact O-CE2 3.22Å; I257-F300 WeakPolarHBondContact O-CE2 3.17Å |
| 258 | F | 93.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 125.1 | 173.8 | -177.3 | -92.5 | 0 | 0 | 0 | 109.5 | G260 V262 M264 F300 W308 I324 A326 | F258-G260 PolarHBondContact O-N 2.85Å; F258-V262 HydrophobicContact CD1-CB 3.65Å; F258-V262 HydrophobicContact CD1-CG2 4.03Å; F258-V262 HydrophobicContact CE1-CB 3.76Å; F258-V262 HydrophobicContact CE1-CG2 3.58Å; F258-V262 HydrophobicContact CG-CB 4.48Å; F258-V262 HydrophobicContact CZ-CG2 4.34Å; F258-M264 HydrophobicContact CB-CB 3.91Å; F258-M264 HydrophobicContact CB-CG 4.28Å; F258-M264 VanDerWaalsContact CB-O 3.23Å; F258-M264 WeakPolarHBondContact CB-O 3.24Å; F258-M264 HydrophobicContact CD2-SD 4.24Å; F258-M264 HydrophobicContact CG-CB 4.47Å; F258-M264 PolarHBondContact N-O 3.25Å; F258-F300 HydrophobicContact CB-CZ 4.08Å; F258-F300 HydrophobicContact CD2-CD1 4.45Å; F258-F300 AromaticContact CD2-CE1 3.49Å; F258-F300 HydrophobicContact CD2-CE1 3.49Å; F258-F300 VanDerWaalsContact CD2-CE1 3.49Å; F258-F300 AromaticContact CD2-CZ 3.75Å; F258-F300 HydrophobicContact CD2-CZ 3.75Å; F258-F300 HydrophobicContact CE2-CE1 4.07Å; F258-F300 HydrophobicContact CG-CE1 4.37Å; F258-F300 HydrophobicContact CG-CZ 4.33Å; F258-W308 AromaticContact CE1-CD2 3.88Å; F258-W308 HydrophobicContact CE1-CD2 3.88Å; F258-W308 AromaticContact CE1-CE2 3.9Å; F258-W308 HydrophobicContact CE1-CE3 4.3Å; F258-W308 HydrophobicContact CE1-CG 4.15Å; F258-W308 HydrophobicContact CE1-CZ2 4.29Å; F258-W308 HydrophobicContact CE2-CB 3.63Å; F258-W308 HydrophobicContact CE2-CD2 4.16Å; F258-W308 AromaticContact CE2-CG 3.82Å; F258-W308 HydrophobicContact CE2-CG 3.82Å; F258-W308 HydrophobicContact CZ-CB 3.6Å; F258-W308 AromaticContact CZ-CD1 3.55Å; F258-W308 AromaticContact CZ-CD2 3.4Å; F258-W308 HydrophobicContact CZ-CD2 3.4Å; F258-W308 VanDerWaalsContact CZ-CD2 3.4Å; F258-W308 AromaticContact CZ-CE2 3.77Å; F258-W308 HydrophobicContact CZ-CE3 4.02Å; F258-W308 AromaticContact CZ-CG 3.23Å; F258-W308 HydrophobicContact CZ-CG 3.23Å; F258-W308 AromaticContact CZ-NE1 3.82Å; F258-I324 HydrophobicContact CD2-CD1 4.29Å; F258-I324 HydrophobicContact CD2-CG2 4.22Å; F258-I324 HydrophobicContact CE2-CB 3.97Å; F258-I324 HydrophobicContact CE2-CD1 4.2Å; F258-I324 HydrophobicContact CE2-CG2 3.55Å; F258-I324 HydrophobicContact CZ-CG2 4.32Å; F258-A326 HydrophobicContact CE1-CB 4.46Å; F258-A326 HydrophobicContact CZ-CB 4.11Å |
| 259 | P | 88.6 | Confident | 92.2 | Very high | 46 Ų | 46 | 30.9 Ų | 30.9 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -67 | 130.9 | 178.2 | 24.7 | -30.9 | 0 | 0 | 0 | 109.9 | I257 F300 W308 | I257-P259 WeakPolarHBondContact O-CD 3.27Å; P259-F300 VanDerWaalsContact CD-CD1 3.5Å; P259-F300 HydrophobicContact CG-CB 3.82Å; P259-F300 HydrophobicContact CG-CD1 3.99Å; P259-F300 HydrophobicContact CG-CD2 4.4Å; P259-F300 HydrophobicContact CG-CG 3.84Å; P259-W308 HydrophobicContact CB-CE3 4.42Å; P259-W308 HydrophobicContact CB-CH2 4.5Å; P259-W308 HydrophobicContact CB-CZ3 3.74Å; P259-W308 HydrophobicContact CG-CE3 3.74Å; P259-W308 HydrophobicContact CG-CZ3 3.57Å; P259-W308 WeakPolarHBondContact O-CH2 3.41Å; P259-W308 WeakPolarHBondContact O-CZ3 3.46Å |
| 260 | G | 83.1 | Confident | 92.7 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 23% | 0.227 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 99.6 | -165.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | R216 F258 V262 | R216-G260 VanDerWaalsContact CZ-O 3.28Å; R216-G260 PolarHBondContact NE-O 3.37Å; F258-G260 PolarHBondContact O-N 2.85Å; G260-V262 VanDerWaalsContact C-N 3.28Å; G260-V262 PolarHBondContact O-N 2.77Å; G260-V262 VanDerWaalsContact O-N 3.14Å |
| 261 | D | 81.2 | Confident | 92.9 | Very high | 98 Ų | 98 | 29.3 Ų | 29.3 | 52% | 0.524 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -85.5 | 21.6 | -164.3 | -73.9 | -39 | 0 | 0 | 0 | 116.4 | R216 T329 | R216-D261 PolarHBondContact NH2-O 2.88Å; D261-T329 HydrophobicContact CB-CG2 4.18Å |
| 262 | V | 86.8 | Confident | 92.9 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 9% | 0.085 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -95.9 | 127.8 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | R216 F258 G260 M264 A326 P327 | R216-V262 PolarHBondContact NH1-O 3.12Å; R216-V262 PolarHBondContact NH2-O 3.27Å; F258-V262 HydrophobicContact CD1-CB 3.65Å; F258-V262 HydrophobicContact CD1-CG2 4.03Å; F258-V262 HydrophobicContact CE1-CB 3.76Å; F258-V262 HydrophobicContact CE1-CG2 3.58Å; F258-V262 HydrophobicContact CG-CB 4.48Å; F258-V262 HydrophobicContact CZ-CG2 4.34Å; G260-V262 VanDerWaalsContact C-N 3.28Å; G260-V262 PolarHBondContact O-N 2.77Å; G260-V262 VanDerWaalsContact O-N 3.14Å; V262-M264 HydrophobicContact CG1-CB 3.91Å; V262-M264 HydrophobicContact CG1-CE 4.31Å; V262-M264 PolarHBondContact O-N 2.89Å; V262-A326 HydrophobicContact CG2-CB 3.83Å; V262-P327 HydrophobicContact CG1-CG 4.1Å |
| 263 | D | 91.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 28.7 Ų | 28.7 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -66.7 | 81.4 | 170.7 | 170.5 | 40 | 0 | 0 | 0 | 110.8 | S278 L279 T280 K285 | D263-S278 VanDerWaalsContact CG-OG 3.3Å; D263-S278 PolarHBondContact OD1-OG 2.74Å; D263-S278 WeakPolarHBondContact OD2-CB 3.43Å; D263-S278 PolarHBondContact OD2-OG 3.26Å; D263-L279 WeakPolarHBondContact OD1-CA 3.33Å; D263-L279 WeakPolarHBondContact OD1-CB 3.29Å; D263-L279 PolarHBondContact OD1-N 3.48Å; D263-T280 PolarHBondContact OD1-N 2.75Å; D263-T280 PolarHBondContact OD1-OG1 2.99Å; D263-K285 PolarHBondContact O-NZ 3.31Å; D263-K285 IonicContact OD2-NZ 3.09Å |
| 264 | M | 93.6 | Very high | 93 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | trans | -155.7 | 139.5 | -175.8 | -174.4 | -178.3 | -66.2 | 0 | 0 | 111.3 | F258 V262 L277 I324 | F258-M264 HydrophobicContact CB-CB 3.91Å; F258-M264 HydrophobicContact CB-CG 4.28Å; F258-M264 VanDerWaalsContact CB-O 3.23Å; F258-M264 WeakPolarHBondContact CB-O 3.24Å; F258-M264 HydrophobicContact CD2-SD 4.24Å; F258-M264 HydrophobicContact CG-CB 4.47Å; F258-M264 PolarHBondContact N-O 3.25Å; V262-M264 HydrophobicContact CG1-CB 3.91Å; V262-M264 HydrophobicContact CG1-CE 4.31Å; V262-M264 PolarHBondContact O-N 2.89Å; M264-L277 CarbonylContact C-O 3.55Å; M264-L277 VanDerWaalsContact CA-O 3.27Å; M264-L277 WeakPolarHBondContact CA-O 3.27Å; M264-I324 HydrophobicContact SD-CG2 4.28Å | ||
| 265 | F | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 161.5 | 159.1 | 72.5 | -79.4 | 0 | 0 | 0 | 109.4 | V220 V228 V230 L245 R256 I257 I267 S276 L277 S278 L279 | V220-F265 HydrophobicContact CB-CD2 4.48Å; V220-F265 HydrophobicContact CG1-CB 4.28Å; V220-F265 HydrophobicContact CG1-CD1 4.36Å; V220-F265 HydrophobicContact CG1-CD2 4.08Å; V220-F265 HydrophobicContact CG1-CE2 4.49Å; V220-F265 HydrophobicContact CG1-CG 4Å; V228-F265 HydrophobicContact CG1-CE2 3.9Å; V228-F265 HydrophobicContact CG1-CZ 4.28Å; V230-F265 HydrophobicContact CG2-CE1 4.43Å; L245-F265 HydrophobicContact CD1-CZ 3.92Å; R256-F265 CarbonylContact O-C 3.54Å; R256-F265 VanDerWaalsContact O-CA 3.31Å; R256-F265 WeakPolarHBondContact O-CA 3.42Å; R256-F265 WeakPolarHBondContact O-CB 3.34Å; I257-F265 HydrophobicContact CG1-CB 4.41Å; F265-I267 HydrophobicContact CD2-CG2 3.79Å; F265-I267 HydrophobicContact CE2-CG2 3.39Å; F265-I267 HydrophobicContact CZ-CG2 4.49Å; F265-S276 CarbonylContact O-C 3.58Å; F265-S276 WeakPolarHBondContact O-CA 3.22Å; F265-L277 HydrophobicContact CD1-CB 4Å; F265-L277 WeakPolarHBondContact CD1-O 3.18Å; F265-L277 HydrophobicContact CE1-CB 3.44Å; F265-L277 VanDerWaalsContact CE1-CB 3.44Å; F265-L277 HydrophobicContact CE2-CB 4.22Å; F265-L277 HydrophobicContact CE2-CD1 4.31Å; F265-L277 HydrophobicContact CZ-CB 3.57Å; F265-L277 HydrophobicContact CZ-CD1 4.36Å; F265-L277 HydrophobicContact CZ-CD2 4.07Å; F265-L277 HydrophobicContact CZ-CG 4.21Å; F265-L277 PolarHBondContact N-O 3.47Å; F265-L277 PolarHBondContact O-N 3.36Å; F265-S278 WeakPolarHBondContact CE1-O 3.42Å; F265-L279 HydrophobicContact CB-CD2 3.87Å; F265-L279 HydrophobicContact CB-CG 4.33Å; F265-L279 HydrophobicContact CD1-CB 4.5Å; F265-L279 HydrophobicContact CD1-CD2 3.56Å; F265-L279 HydrophobicContact CD1-CG 3.86Å; F265-L279 HydrophobicContact CE1-CD2 4.37Å; F265-L279 HydrophobicContact CG-CD2 3.97Å |
| 266 | I | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.9 | -178 | -57.1 | 179.9 | 0 | 0 | 0 | 108.5 | M1 V255 R256 A275 L298 F300 L310 I324 | M1-I266 HydrophobicContact CE-CD1 3.37Å; M1-I266 HydrophobicContact CE-CG1 3.77Å; M1-I266 HydrophobicContact SD-CD1 4.2Å; V255-I266 CarbonylContact C-O 3.38Å; V255-I266 WeakPolarHBondContact CA-O 3.29Å; R256-I266 PolarHBondContact N-O 3.05Å; R256-I266 PolarHBondContact O-N 2.87Å; I266-A275 CarbonylContact C-O 3.58Å; I266-A275 WeakPolarHBondContact CA-O 3.27Å; I266-L298 HydrophobicContact CB-CD2 4.37Å; I266-L298 HydrophobicContact CG2-CD2 3.98Å; I266-F300 HydrophobicContact CD1-CE1 4.02Å; I266-F300 HydrophobicContact CD1-CE2 4.22Å; I266-F300 HydrophobicContact CD1-CZ 3.4Å; I266-F300 VanDerWaalsContact CD1-CZ 3.4Å; I266-F300 HydrophobicContact CG1-CZ 4.02Å; I266-L310 HydrophobicContact CD1-CD1 4.03Å; I266-L310 HydrophobicContact CD1-CD2 3.5Å; I266-L310 VanDerWaalsContact CD1-CD2 3.5Å; I266-L310 HydrophobicContact CD1-CG 4.28Å; I266-L310 HydrophobicContact CG2-CD2 4.31Å; I266-I324 HydrophobicContact CD1-CD1 3.75Å |
| 267 | I | 96.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 10% | 0.097 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.4 | 168.6 | 69 | -179.6 | 0 | 0 | 0 | 109.6 | V228 V252 H254 V255 F265 L274 A275 L277 | V228-I267 HydrophobicContact CG2-CG2 4.27Å; V252-I267 HydrophobicContact CG1-CB 3.98Å; V252-I267 HydrophobicContact CG1-CG2 4.41Å; V252-I267 HydrophobicContact CG2-CD1 4.07Å; H254-I267 WeakPolarHBondContact O-CA 3.28Å; V255-I267 HydrophobicContact CG1-CG2 3.92Å; F265-I267 HydrophobicContact CD2-CG2 3.79Å; F265-I267 HydrophobicContact CE2-CG2 3.39Å; F265-I267 HydrophobicContact CZ-CG2 4.49Å; I267-L274 CarbonylContact O-C 3.51Å; I267-L274 WeakPolarHBondContact O-CA 2.98Å; I267-A275 HydrophobicContact CD1-CB 4.33Å; I267-A275 HydrophobicContact CG1-CB 3.94Å; I267-A275 PolarHBondContact N-O 2.87Å; I267-A275 PolarHBondContact O-N 3.12Å; I267-L277 HydrophobicContact CB-CD1 4.38Å; I267-L277 HydrophobicContact CD1-CD1 3.61Å; I267-L277 HydrophobicContact CD1-CD2 4.41Å; I267-L277 HydrophobicContact CG1-CD1 3.6Å; I267-L277 HydrophobicContact CG2-CD1 4.02Å |
| 268 | A | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V252 S253 H254 T273 L274 V295 L298 | V252-A268 CarbonylContact C-O 3.54Å; V252-A268 WeakPolarHBondContact CA-O 3.15Å; S253-A268 PolarHBondContact N-O 3.31Å; S253-A268 PolarHBondContact OG-O 3.11Å; H254-A268 HydrophobicContact CB-CB 4.21Å; H254-A268 PolarHBondContact N-O 3.48Å; H254-A268 PolarHBondContact O-N 3.16Å; A268-T273 WeakPolarHBondContact CA-O 3.3Å; A268-L274 HydrophobicContact CB-CD2 3.5Å; A268-V295 HydrophobicContact CB-CB 3.77Å; A268-V295 HydrophobicContact CB-CG1 3.76Å; A268-V295 HydrophobicContact CB-CG2 3.8Å; A268-L298 HydrophobicContact CB-CD2 4.18Å |
| 269 | D | 93.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 171.1 | 178.7 | 75.8 | 25.8 | 0 | 0 | 0 | 113.4 | S250 V251 S271 G272 T273 | S250-D269 VanDerWaalsContact CB-OD2 3.28Å; S250-D269 WeakPolarHBondContact CB-OD2 2.95Å; S250-D269 WeakPolarHBondContact OG-CB 3.4Å; S250-D269 PolarHBondContact OG-OD1 3.44Å; S250-D269 PolarHBondContact OG-OD2 3.23Å; V251-D269 CarbonylContact O-C 3.39Å; V251-D269 VanDerWaalsContact O-CA 3.23Å; V251-D269 WeakPolarHBondContact O-CA 3.19Å; V251-D269 WeakPolarHBondContact O-CB 3.1Å; D269-S271 VanDerWaalsContact CG-OG 3.27Å; D269-S271 PolarHBondContact O-N 2.95Å; D269-S271 VanDerWaalsContact OD1-CA 3.28Å; D269-S271 WeakPolarHBondContact OD1-CA 3.4Å; D269-S271 VanDerWaalsContact OD1-CB 3.28Å; D269-S271 WeakPolarHBondContact OD1-CB 3.44Å; D269-S271 PolarHBondContact OD1-N 3.47Å; D269-S271 PolarHBondContact OD1-OG 3.25Å; D269-S271 PolarHBondContact OD2-OG 3.04Å; D269-G272 PolarHBondContact O-N 3.31Å; D269-G272 VanDerWaalsContact O-N 3.12Å; D269-G272 PolarHBondContact OD1-N 3.07Å; D269-G272 VanDerWaalsContact OD1-N 3.11Å; D269-T273 PolarHBondContact N-O 3.35Å; D269-T273 PolarHBondContact OD1-N 3.08Å; D269-T273 WeakPolarHBondContact OD2-CB 3.37Å |
| 270 | R | 93.6 | Very high | 92.9 | Very high | 151 Ų | 151 | 28.2 Ų | 28.2 | 57% | 0.57 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.9 | 179.4 | -68.2 | -169 | -178.8 | -134.7 | 1.1 | 114.3 | V251 S294 | V251-R270 HydrophobicContact CB-CG 4.12Å; V251-R270 HydrophobicContact CG1-CG 4.2Å; V251-R270 PolarHBondContact O-N 3.35Å; R270-S294 WeakPolarHBondContact O-CA 3.44Å; R270-S294 PolarHBondContact O-N 2.8Å; R270-S294 VanDerWaalsContact O-N 3.17Å |
| 271 | S | 93.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 29 Ų | 29 | 37% | 0.371 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -12.4 | 173.3 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | S250 D269 T273 | S250-S271 PolarHBondContact OG-N 3.25Å; D269-S271 VanDerWaalsContact CG-OG 3.27Å; D269-S271 PolarHBondContact O-N 2.95Å; D269-S271 VanDerWaalsContact OD1-CA 3.28Å; D269-S271 WeakPolarHBondContact OD1-CA 3.4Å; D269-S271 VanDerWaalsContact OD1-CB 3.28Å; D269-S271 WeakPolarHBondContact OD1-CB 3.44Å; D269-S271 PolarHBondContact OD1-N 3.47Å; D269-S271 PolarHBondContact OD1-OG 3.25Å; D269-S271 PolarHBondContact OD2-OG 3.04Å; S271-T273 PolarHBondContact OG-OG1 3.29Å |
| 272 | G | 93.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 94 | 6.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D269 K293 | D269-G272 PolarHBondContact O-N 3.31Å; D269-G272 VanDerWaalsContact O-N 3.12Å; D269-G272 PolarHBondContact OD1-N 3.07Å; D269-G272 VanDerWaalsContact OD1-N 3.11Å; G272-K293 WeakPolarHBondContact CA-O 3.28Å; G272-K293 PolarHBondContact N-O 2.92Å |
| 273 | T | 94.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 30.5 Ų | 30.5 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.5 | 178.3 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | A268 D269 S271 V287 S289 | A268-T273 WeakPolarHBondContact CA-O 3.3Å; D269-T273 PolarHBondContact N-O 3.35Å; D269-T273 PolarHBondContact OD1-N 3.08Å; D269-T273 WeakPolarHBondContact OD2-CB 3.37Å; S271-T273 PolarHBondContact OG-OG1 3.29Å; T273-V287 HydrophobicContact CG2-CG1 3.53Å; T273-S289 PolarHBondContact OG1-OG 2.94Å |
| 274 | L | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.4 | 171.2 | -51.8 | 171.8 | 0 | 0 | 0 | 109 | I267 A268 V287 L288 V295 L298 V312 | I267-L274 CarbonylContact O-C 3.51Å; I267-L274 WeakPolarHBondContact O-CA 2.98Å; A268-L274 HydrophobicContact CB-CD2 3.5Å; L274-V287 CarbonylContact O-C 3.6Å; L274-V287 WeakPolarHBondContact O-CA 3.23Å; L274-L288 HydrophobicContact CB-CB 4.3Å; L274-L288 PolarHBondContact N-O 3.13Å; L274-L288 PolarHBondContact O-N 3.22Å; L274-V295 HydrophobicContact CD2-CG2 4.12Å; L274-L298 HydrophobicContact CD2-CD1 4.25Å; L274-V312 HydrophobicContact CD1-CB 4.41Å; L274-V312 HydrophobicContact CD1-CG1 4.17Å; L274-V312 HydrophobicContact CD1-CG2 3.56Å; L274-V312 HydrophobicContact CD2-CG1 3.96Å; L274-V312 HydrophobicContact CD2-CG2 4.38Å |
| 275 | A | 94.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 38 Ų | 38 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I266 I267 L277 D286 V287 | I266-A275 CarbonylContact C-O 3.58Å; I266-A275 WeakPolarHBondContact CA-O 3.27Å; I267-A275 HydrophobicContact CD1-CB 4.33Å; I267-A275 HydrophobicContact CG1-CB 3.94Å; I267-A275 PolarHBondContact N-O 2.87Å; I267-A275 PolarHBondContact O-N 3.12Å; A275-L277 HydrophobicContact CB-CD1 3.92Å; A275-L277 WeakPolarHBondContact O-CD1 3.43Å; A275-D286 VanDerWaalsContact CA-O 3.25Å; A275-D286 WeakPolarHBondContact CA-O 3.31Å; A275-V287 HydrophobicContact CB-CG2 4.34Å |
| 276 | S | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.7 | 166.6 | 60.2 | 0 | 0 | 0 | 0 | 109.9 | F265 K285 D286 | F265-S276 CarbonylContact O-C 3.58Å; F265-S276 WeakPolarHBondContact O-CA 3.22Å; S276-K285 PolarHBondContact O-N 3.11Å; S276-D286 PolarHBondContact N-O 2.77Å; S276-D286 WeakPolarHBondContact OG-CB 3.45Å; S276-D286 PolarHBondContact OG-N 2.93Å |
| 277 | L | 95.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.9 | -177.6 | -64.2 | 89.1 | 0 | 0 | 0 | 110.2 | L245 M264 F265 I267 A275 E283 K284 | L245-L277 HydrophobicContact CD1-CD2 3.68Å; M264-L277 CarbonylContact C-O 3.55Å; M264-L277 VanDerWaalsContact CA-O 3.27Å; M264-L277 WeakPolarHBondContact CA-O 3.27Å; F265-L277 HydrophobicContact CD1-CB 4Å; F265-L277 WeakPolarHBondContact CD1-O 3.18Å; F265-L277 HydrophobicContact CE1-CB 3.44Å; F265-L277 VanDerWaalsContact CE1-CB 3.44Å; F265-L277 HydrophobicContact CE2-CB 4.22Å; F265-L277 HydrophobicContact CE2-CD1 4.31Å; F265-L277 HydrophobicContact CZ-CB 3.57Å; F265-L277 HydrophobicContact CZ-CD1 4.36Å; F265-L277 HydrophobicContact CZ-CD2 4.07Å; F265-L277 HydrophobicContact CZ-CG 4.21Å; F265-L277 PolarHBondContact N-O 3.47Å; F265-L277 PolarHBondContact O-N 3.36Å; I267-L277 HydrophobicContact CB-CD1 4.38Å; I267-L277 HydrophobicContact CD1-CD1 3.61Å; I267-L277 HydrophobicContact CD1-CD2 4.41Å; I267-L277 HydrophobicContact CG1-CD1 3.6Å; I267-L277 HydrophobicContact CG2-CD1 4.02Å; A275-L277 HydrophobicContact CB-CD1 3.92Å; A275-L277 WeakPolarHBondContact O-CD1 3.43Å; L277-E283 CarbonylContact C-O 3.59Å; L277-E283 VanDerWaalsContact CA-O 3.22Å; L277-E283 WeakPolarHBondContact CA-O 3.38Å; L277-K284 HydrophobicContact CD2-CG 3.87Å; L277-K284 HydrophobicContact CG-CG 3.9Å |
| 278 | S | 94.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | trans | -72 | 132.5 | 168 | 168 | 0 | 0 | 0 | 0 | 110.4 | D263 F265 T280 S281 G282 E283 | D263-S278 VanDerWaalsContact CG-OG 3.3Å; D263-S278 PolarHBondContact OD1-OG 2.74Å; D263-S278 WeakPolarHBondContact OD2-CB 3.43Å; D263-S278 PolarHBondContact OD2-OG 3.26Å; F265-S278 WeakPolarHBondContact CE1-O 3.42Å; S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact OG-N 2.81Å; S278-T280 VanDerWaalsContact OG-N 3.14Å; S278-S281 WeakPolarHBondContact CB-OG 3.5Å; S278-S281 PolarHBondContact OG-N 2.95Å; S278-S281 PolarHBondContact OG-OG 3.18Å; S278-G282 WeakPolarHBondContact O-CA 3.22Å; S278-G282 PolarHBondContact O-N 2.79Å; S278-E283 PolarHBondContact N-O 3.22Å | ||
| 279 | L | 93.6 | Very high | 93 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -39.9 | 169.5 | -65.8 | 158.3 | 0 | 0 | 0 | 109.9 | I218 V220 V230 I257 D263 F265 | I218-L279 HydrophobicContact CD1-CB 3.91Å; I218-L279 HydrophobicContact CD1-CD1 4.44Å; I218-L279 HydrophobicContact CD1-CD2 4.25Å; I218-L279 HydrophobicContact CD1-CG 4.44Å; I218-L279 HydrophobicContact CG2-CD1 4.28Å; V220-L279 HydrophobicContact CG1-CD2 3.5Å; V220-L279 VanDerWaalsContact CG1-CD2 3.5Å; V230-L279 HydrophobicContact CG1-CD2 4.28Å; I257-L279 HydrophobicContact CG1-CD2 4.39Å; I257-L279 HydrophobicContact CG2-CD1 4.2Å; D263-L279 WeakPolarHBondContact OD1-CA 3.33Å; D263-L279 WeakPolarHBondContact OD1-CB 3.29Å; D263-L279 PolarHBondContact OD1-N 3.48Å; F265-L279 HydrophobicContact CB-CD2 3.87Å; F265-L279 HydrophobicContact CB-CG 4.33Å; F265-L279 HydrophobicContact CD1-CB 4.5Å; F265-L279 HydrophobicContact CD1-CD2 3.56Å; F265-L279 HydrophobicContact CD1-CG 3.86Å; F265-L279 HydrophobicContact CE1-CD2 4.37Å; F265-L279 HydrophobicContact CG-CD2 3.97Å |
| 280 | T | 92.2 | Very high | 93 | Very high | 105 Ų | 105 | 53 Ų | 53 | 64% | 0.644 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -49.1 | -176.4 | -52.3 | 0 | 0 | 0 | 0 | 113.5 | R243 D263 S278 | R243-T280 PolarHBondContact NE-O 3.14Å; R243-T280 PolarHBondContact NH2-O 3.46Å; D263-T280 PolarHBondContact OD1-N 2.75Å; D263-T280 PolarHBondContact OD1-OG1 2.99Å; S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact OG-N 2.81Å; S278-T280 VanDerWaalsContact OG-N 3.14Å |
| 281 | S | 92.7 | Very high | 93 | Very high | 40 Ų | 40 | 46.2 Ų | 46.2 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -15.3 | -174.1 | 81.7 | 0 | 0 | 0 | 0 | 114.1 | R243 S278 E283 | R243-S281 PolarHBondContact NH1-O 2.76Å; R243-S281 VanDerWaalsContact NH2-CA 3.34Å; R243-S281 PolarHBondContact NH2-O 2.89Å; S278-S281 WeakPolarHBondContact CB-OG 3.5Å; S278-S281 PolarHBondContact OG-N 2.95Å; S278-S281 PolarHBondContact OG-OG 3.18Å; S281-E283 PolarHBondContact O-N 3.42Å; S281-E283 VanDerWaalsContact O-N 3.15Å; S281-E283 WeakPolarHBondContact OG-CB 3.48Å; S281-E283 WeakPolarHBondContact OG-CG 3.44Å; S281-E283 PolarHBondContact OG-N 3.38Å; S281-E283 PolarHBondContact OG-OE2 3.42Å |
| 282 | G | 91.8 | Very high | 93 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | trans | 67.9 | 1.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S278 | S278-G282 WeakPolarHBondContact O-CA 3.22Å; S278-G282 PolarHBondContact O-N 2.79Å | ||
| 283 | E | 93.4 | Very high | 93 | Very high | 133 Ų | 133 | 60 Ų | 60 | 62% | 0.621 | 30% | 0.302 | S | S | * | . | trans | -72.7 | 140.1 | -178.8 | -66.8 | 168.5 | 148.7 | 0 | 0 | 110.8 | L277 S278 S281 | L277-E283 CarbonylContact C-O 3.59Å; L277-E283 VanDerWaalsContact CA-O 3.22Å; L277-E283 WeakPolarHBondContact CA-O 3.38Å; S278-E283 PolarHBondContact N-O 3.22Å; S281-E283 PolarHBondContact O-N 3.42Å; S281-E283 VanDerWaalsContact O-N 3.15Å; S281-E283 WeakPolarHBondContact OG-CB 3.48Å; S281-E283 WeakPolarHBondContact OG-CG 3.44Å; S281-E283 PolarHBondContact OG-N 3.38Å; S281-E283 PolarHBondContact OG-OE2 3.42Å | ||
| 284 | K | 92.2 | Very high | 93 | Very high | 112 Ų | 112 | 60.1 Ų | 60.1 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.6 | 172.2 | -67.5 | 176.7 | -178.1 | 174.3 | 0 | 109 | L277 | L277-K284 HydrophobicContact CD2-CG 3.87Å; L277-K284 HydrophobicContact CG-CG 3.9Å |
| 285 | K | 89.1 | Confident | 93 | Very high | 100 Ų | 100 | 60.2 Ų | 60.2 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -49.9 | 178.5 | -65.2 | 179.9 | 177.6 | 175.6 | 0 | 111.8 | D263 S276 | D263-K285 PolarHBondContact O-NZ 3.31Å; D263-K285 IonicContact OD2-NZ 3.09Å; S276-K285 PolarHBondContact O-N 3.11Å |
| 286 | D | 89.5 | Confident | 92.9 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149 | 179.2 | -69.6 | -28 | 0 | 0 | 0 | 109.4 | M1 A275 S276 | M1-D286 PolarHBondContact N-OD2 3.37Å; A275-D286 VanDerWaalsContact CA-O 3.25Å; A275-D286 WeakPolarHBondContact CA-O 3.31Å; S276-D286 PolarHBondContact N-O 2.77Å; S276-D286 WeakPolarHBondContact OG-CB 3.45Å; S276-D286 PolarHBondContact OG-N 2.93Å |
| 287 | V | 92.2 | Very high | 92.9 | Very high | 88 Ų | 88 | 62.4 Ų | 62.4 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.1 | 168.4 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | T273 L274 A275 | T273-V287 HydrophobicContact CG2-CG1 3.53Å; L274-V287 CarbonylContact O-C 3.6Å; L274-V287 WeakPolarHBondContact O-CA 3.23Å; A275-V287 HydrophobicContact CB-CG2 4.34Å |
| 288 | L | 92.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 17% | 0.173 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 109.8 | -177 | -58.1 | 169.5 | 0 | 0 | 0 | 109.5 | M1 L274 W322 | M1-L288 HydrophobicContact CB-CD1 3.78Å; M1-L288 HydrophobicContact CG-CD1 3.8Å; M1-L288 HydrophobicContact SD-CD1 3.57Å; M1-L288 VanDerWaalsContact SD-CD1 3.57Å; L274-L288 HydrophobicContact CB-CB 4.3Å; L274-L288 PolarHBondContact N-O 3.13Å; L274-L288 PolarHBondContact O-N 3.22Å; L288-W322 HydrophobicContact CD1-CD2 4.45Å; L288-W322 HydrophobicContact CD1-CE3 4.17Å; L288-W322 HydrophobicContact CD1-CZ3 4.36Å |
| 289 | S | 91.8 | Very high | 92.9 | Very high | 93 Ų | 93 | 64.8 Ų | 64.8 | 65% | 0.65 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 75.2 | 175.8 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | T273 | T273-S289 PolarHBondContact OG1-OG 2.94Å |
| 290 | F | 92.2 | Very high | 92.8 | Very high | 80 Ų | 80 | 65.6 Ų | 65.6 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | trans | -97.5 | -50.6 | 179 | 176.4 | -92.3 | 0 | 0 | 0 | 112.3 | Y3 V318 W322 | Y3-F290 HydrophobicContact CD2-CE2 4.17Å; Y3-F290 HydrophobicContact CD2-CZ 4.48Å; Y3-F290 AromaticContact CE2-CE2 3.86Å; Y3-F290 HydrophobicContact CE2-CE2 3.86Å; Y3-F290 AromaticContact CE2-CZ 3.79Å; Y3-F290 HydrophobicContact CE2-CZ 3.79Å; F290-V318 HydrophobicContact CE1-CG1 4.1Å; F290-W322 HydrophobicContact CB-CH2 3.86Å; F290-W322 HydrophobicContact CB-CZ2 3.54Å; F290-W322 HydrophobicContact CD1-CZ2 4.04Å; F290-W322 AromaticContact CD2-CH2 3.93Å; F290-W322 HydrophobicContact CD2-CH2 3.93Å; F290-W322 AromaticContact CD2-CZ2 3.91Å; F290-W322 HydrophobicContact CD2-CZ2 3.91Å; F290-W322 AromaticContact CG-CH2 3.97Å; F290-W322 HydrophobicContact CG-CH2 3.97Å; F290-W322 AromaticContact CG-CZ2 3.56Å; F290-W322 HydrophobicContact CG-CZ2 3.56Å | ||
| 291 | H | 94.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | trans | -76.6 | 147.1 | -178.6 | -72.6 | -70.4 | 0 | 0 | 0 | 111 | S314 D316 V318 S320 | H291-S314 VanDerWaalsContact ND1-CB 3.26Å; H291-S314 WeakPolarHBondContact ND1-CB 3.44Å; H291-D316 VanDerWaalsContact CA-OD2 3.3Å; H291-D316 WeakPolarHBondContact CA-OD2 3.36Å; H291-D316 WeakPolarHBondContact CB-OD2 3.32Å; H291-D316 IonicContact CG-OD2 3.92Å; H291-D316 IonicContact ND1-OD1 3.42Å; H291-D316 PolarHBondContact ND1-OD1 3.26Å; H291-D316 IonicContact ND1-OD2 3.05Å; H291-D316 PolarHBondContact ND1-OD2 2.65Å; H291-V318 PolarHBondContact CE1-O 3.34Å; H291-S320 PolarHBondContact NE2-OG 2.63Å | ||
| 292 | R | 93.6 | Very high | 92 | Very high | 225 Ų | 225 | 61.6 Ų | 61.6 | 85% | 0.849 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -101.5 | -5.3 | -176.3 | -60 | -174.5 | -175.5 | -163.2 | 1.4 | 113.8 | D316 | R292-D316 PolarHBondContact N-OD2 2.8Å; R292-D316 VanDerWaalsContact N-OD2 3.09Å |
| 293 | K | 94.2 | Very high | 91.3 | Very high | 118 Ų | 118 | 70.5 Ų | 70.5 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -141.6 | 172.7 | 179.4 | -59.4 | -172.1 | -175.7 | 172.5 | 0 | 109.9 | G272 V295 S314 S315 D316 | G272-K293 WeakPolarHBondContact CA-O 3.28Å; G272-K293 PolarHBondContact N-O 2.92Å; K293-V295 PolarHBondContact O-N 2.75Å; K293-S314 PolarHBondContact O-OG 2.88Å; K293-S315 WeakPolarHBondContact CB-OG 3.46Å; K293-S315 WeakPolarHBondContact CD-O 3.2Å; K293-D316 HydrophobicContact CB-CB 4.1Å; K293-D316 HydrophobicContact CD-CB 4.35Å; K293-D316 HydrophobicContact CG-CB 4.07Å |
| 294 | S | 94.1 | Very high | 90.3 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | trans | -48.6 | 129.3 | -179 | -170.2 | 0 | 0 | 0 | 0 | 112.2 | R270 S314 S315 | R270-S294 WeakPolarHBondContact O-CA 3.44Å; R270-S294 PolarHBondContact O-N 2.8Å; R270-S294 VanDerWaalsContact O-N 3.17Å; S294-S314 WeakPolarHBondContact O-CA 3.46Å; S294-S314 PolarHBondContact O-OG 3.1Å; S294-S314 VanDerWaalsContact O-OG 3.12Å; S294-S315 PolarHBondContact N-OG 3.04Å; S294-S315 PolarHBondContact O-N 2.89Å; S294-S315 PolarHBondContact O-OG 2.84Å | ||
| 295 | V | 94.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 136.1 | 163.4 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | H254 A268 L274 K293 V312 C313 | H254-V295 PolarHBondContact NE2-O 2.9Å; A268-V295 HydrophobicContact CB-CB 3.77Å; A268-V295 HydrophobicContact CB-CG1 3.76Å; A268-V295 HydrophobicContact CB-CG2 3.8Å; L274-V295 HydrophobicContact CD2-CG2 4.12Å; K293-V295 PolarHBondContact O-N 2.75Å; V295-V312 HydrophobicContact CB-CG1 4.47Å; V295-V312 HydrophobicContact CG1-CG1 3.79Å; V295-V312 HydrophobicContact CG2-CG1 3.84Å; V295-C313 CarbonylContact C-O 3.58Å; V295-C313 VanDerWaalsContact CA-O 3.29Å; V295-C313 WeakPolarHBondContact CA-O 3.4Å; V295-C313 WeakPolarHBondContact CG1-O 3.02Å |
| 296 | T | 94 | Very high | 88 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 21% | 0.209 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -22.7 | -177.4 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | Y13 F14 H254 C313 | Y13-T296 HydrophobicContact CE2-CG2 4.39Å; F14-T296 PolarHBondContact O-OG1 3.29Å; H254-T296 PolarHBondContact CE1-O 3.29Å; H254-T296 VanDerWaalsContact CE1-O 3.28Å; H254-T296 PolarHBondContact NE2-O 3.39Å; T296-C313 PolarHBondContact N-O 3.18Å; T296-C313 VanDerWaalsContact OG1-CB 3.28Å; T296-C313 WeakPolarHBondContact OG1-CB 3.33Å; T296-C313 PolarHBondContact OG1-O 3.19Å |
| 297 | C | 94.1 | Very high | 87.3 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 14% | 0.135 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 141.4 | 175.2 | -168.6 | 0 | 0 | 0 | 0 | 110 | V17 C313 | V17-C297 HydrophobicContact CG1-CB 4.41Å; C297-C313 HydrophobicContact CB-CB 3.87Å; C297-C313 PolarHBondContact O-N 3.21Å |
| 298 | L | 94.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 120.5 | 178.9 | -172.5 | 68.6 | 0 | 0 | 0 | 108.5 | H254 R256 I266 A268 L274 L310 L311 V312 | H254-L298 HydrophobicContact CB-CB 3.9Å; H254-L298 HydrophobicContact CB-CD2 4.16Å; R256-L298 HydrophobicContact CB-CD2 4.24Å; R256-L298 HydrophobicContact CG-CB 4.23Å; R256-L298 HydrophobicContact CG-CD2 3.93Å; R256-L298 HydrophobicContact CG-CG 3.95Å; R256-L298 WeakPolarHBondContact CG-O 3.45Å; R256-L298 PolarHBondContact NE-O 3.14Å; I266-L298 HydrophobicContact CB-CD2 4.37Å; I266-L298 HydrophobicContact CG2-CD2 3.98Å; A268-L298 HydrophobicContact CB-CD2 4.18Å; L274-L298 HydrophobicContact CD2-CD1 4.25Å; L298-L310 HydrophobicContact CD1-CD1 3.7Å; L298-L310 HydrophobicContact CD1-CD2 3.94Å; L298-L310 HydrophobicContact CD1-CG 3.95Å; L298-L310 HydrophobicContact CG-CD1 4.03Å; L298-L311 WeakPolarHBondContact CA-O 3.41Å; L298-V312 HydrophobicContact CD1-CB 4.36Å; L298-V312 HydrophobicContact CD1-CG1 4.31Å; L298-V312 HydrophobicContact CD1-CG2 3.68Å |
| 299 | Q | 93.6 | Very high | 86.8 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 133.6 | -175 | -175.2 | 173.4 | 2.3 | 0 | 0 | 112.7 | V17 L311 | V17-Q299 HydrophobicContact CG1-CB 4.34Å; V17-Q299 PolarHBondContact O-OE1 2.83Å; Q299-L311 PolarHBondContact N-O 3.06Å; Q299-L311 PolarHBondContact O-N 2.94Å |
| 300 | F | 92.4 | Very high | 86.8 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 141.3 | 168.9 | -76.2 | -81.2 | 0 | 0 | 0 | 111.8 | R256 I257 F258 P259 I266 L309 L310 I324 | R256-F300 HydrophobicContact CB-CD2 3.93Å; R256-F300 HydrophobicContact CB-CE2 3.69Å; I257-F300 WeakPolarHBondContact O-CD2 3.41Å; I257-F300 VanDerWaalsContact O-CE2 3.22Å; I257-F300 WeakPolarHBondContact O-CE2 3.17Å; F258-F300 HydrophobicContact CB-CZ 4.08Å; F258-F300 HydrophobicContact CD2-CD1 4.45Å; F258-F300 AromaticContact CD2-CE1 3.49Å; F258-F300 HydrophobicContact CD2-CE1 3.49Å; F258-F300 VanDerWaalsContact CD2-CE1 3.49Å; F258-F300 AromaticContact CD2-CZ 3.75Å; F258-F300 HydrophobicContact CD2-CZ 3.75Å; F258-F300 HydrophobicContact CE2-CE1 4.07Å; F258-F300 HydrophobicContact CG-CE1 4.37Å; F258-F300 HydrophobicContact CG-CZ 4.33Å; P259-F300 VanDerWaalsContact CD-CD1 3.5Å; P259-F300 HydrophobicContact CG-CB 3.82Å; P259-F300 HydrophobicContact CG-CD1 3.99Å; P259-F300 HydrophobicContact CG-CD2 4.4Å; P259-F300 HydrophobicContact CG-CG 3.84Å; I266-F300 HydrophobicContact CD1-CE1 4.02Å; I266-F300 HydrophobicContact CD1-CE2 4.22Å; I266-F300 HydrophobicContact CD1-CZ 3.4Å; I266-F300 VanDerWaalsContact CD1-CZ 3.4Å; I266-F300 HydrophobicContact CG1-CZ 4.02Å; F300-L309 CarbonylContact C-O 3.52Å; F300-L309 WeakPolarHBondContact CA-O 3.29Å; F300-L310 HydrophobicContact CD1-CB 4.46Å; F300-L310 HydrophobicContact CD1-CD1 4.12Å; F300-L310 HydrophobicContact CD2-CD1 4.21Å; F300-L310 HydrophobicContact CE1-CB 4.43Å; F300-L310 HydrophobicContact CE1-CD1 4.07Å; F300-L310 HydrophobicContact CE2-CD1 4.14Å; F300-L310 HydrophobicContact CG-CD1 4.21Å; F300-L310 HydrophobicContact CZ-CD1 4.09Å; F300-I324 HydrophobicContact CD1-CD1 4.44Å; F300-I324 HydrophobicContact CE1-CD1 3.51Å; F300-I324 HydrophobicContact CZ-CD1 4.22Å |
| 301 | A | 86.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 146.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F19 L305 L309 | F19-A301 HydrophobicContact CD1-CB 4.48Å; F19-A301 HydrophobicContact CD2-CB 3.8Å; F19-A301 HydrophobicContact CE1-CB 4.1Å; F19-A301 VanDerWaalsContact CE2-CA 3.49Å; F19-A301 HydrophobicContact CE2-CB 3.31Å; F19-A301 HydrophobicContact CG-CB 4.31Å; F19-A301 HydrophobicContact CZ-CB 3.45Å; F19-A301 VanDerWaalsContact CZ-CB 3.45Å; A301-L305 HydrophobicContact CB-CD1 4Å; A301-L309 HydrophobicContact CB-CB 3.67Å; A301-L309 HydrophobicContact CB-CD1 4.33Å; A301-L309 PolarHBondContact N-O 3.15Å |
| 302 | P | 80.9 | Confident | 86.9 | Confident | 56 Ų | 56 | 50.2 Ų | 50.2 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 139.8 | 170.8 | -28.9 | 35.9 | 0 | 0 | 0 | 113 | F19 N304 L305 | F19-P302 HydrophobicContact CB-CG 4.19Å; P302-N304 VanDerWaalsContact CB-OD1 3.22Å; P302-N304 WeakPolarHBondContact CB-OD1 3.14Å; P302-N304 PolarHBondContact O-N 2.97Å; P302-N304 VanDerWaalsContact O-N 3.08Å; P302-L305 WeakPolarHBondContact O-CB 3.46Å; P302-L305 PolarHBondContact O-N 3.41Å |
| 303 | R | 76.8 | Confident | 86.9 | Confident | 198 Ų | 198 | 39.5 Ų | 39.5 | 75% | 0.747 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -54.9 | -31.2 | -176.8 | -175 | 179.8 | 174.5 | -174.4 | 0.3 | 113.9 | L305 G306 W308 | R303-L305 PolarHBondContact O-N 2.75Å; R303-L305 VanDerWaalsContact O-N 3.14Å; R303-G306 PolarHBondContact O-N 3.39Å; R303-W308 HydrophobicContact CB-CZ3 4.38Å; R303-W308 HydrophobicContact CG-CH2 4.31Å; R303-W308 HydrophobicContact CG-CZ3 4.45Å |
| 304 | N | 72.5 | Confident | 87 | Confident | 97 Ų | 97 | 33.9 Ų | 33.9 | 52% | 0.519 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -70.8 | -0.9 | 179.7 | 66.8 | -16.8 | 0 | 0 | 0 | 114.3 | P302 G306 | P302-N304 VanDerWaalsContact CB-OD1 3.22Å; P302-N304 WeakPolarHBondContact CB-OD1 3.14Å; P302-N304 PolarHBondContact O-N 2.97Å; P302-N304 VanDerWaalsContact O-N 3.08Å; N304-G306 VanDerWaalsContact C-N 3.29Å |
| 305 | L | 68.3 | Low | 87 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -86.4 | 8.4 | 174.1 | -64.5 | -178.9 | 0 | 0 | 0 | 114.1 | F19 Q26 Y42 A301 P302 R303 L309 | F19-L305 HydrophobicContact CB-CD1 4.38Å; F19-L305 HydrophobicContact CD1-CD1 3.56Å; F19-L305 HydrophobicContact CE1-CD1 3.89Å; F19-L305 HydrophobicContact CG-CD1 4.08Å; Q26-L305 HydrophobicContact CB-CD2 3.9Å; Q26-L305 HydrophobicContact CG-CD2 3.52Å; Q26-L305 VanDerWaalsContact NE2-CD2 3.28Å; Y42-L305 HydrophobicContact CD1-CD2 4.21Å; Y42-L305 HydrophobicContact CE1-CB 4.31Å; A301-L305 HydrophobicContact CB-CD1 4Å; P302-L305 WeakPolarHBondContact O-CB 3.46Å; P302-L305 PolarHBondContact O-N 3.41Å; R303-L305 PolarHBondContact O-N 2.75Å; R303-L305 VanDerWaalsContact O-N 3.14Å; L305-L309 HydrophobicContact CB-CD1 4.46Å |
| 306 | G | 65.7 | Low | 87 | Confident | 77 Ų | 77 | 35.5 Ų | 35.5 | 79% | 0.794 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | 18.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R303 N304 | R303-G306 PolarHBondContact O-N 3.39Å; N304-G306 VanDerWaalsContact C-N 3.29Å |
| 307 | G | 73.6 | Confident | 87 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 25% | 0.247 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 164.9 | 174.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L309 | G307-L309 PolarHBondContact O-N 3.01Š|
| 308 | W | 85.6 | Confident | 87.1 | Confident | 53 Ų | 53 | 34.7 Ų | 34.7 | 20% | 0.201 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 102 | 172.5 | -56.4 | 111.8 | 0 | 0 | 0 | 109.2 | F258 P259 R303 I324 | F258-W308 AromaticContact CE1-CD2 3.88Å; F258-W308 HydrophobicContact CE1-CD2 3.88Å; F258-W308 AromaticContact CE1-CE2 3.9Å; F258-W308 HydrophobicContact CE1-CE3 4.3Å; F258-W308 HydrophobicContact CE1-CG 4.15Å; F258-W308 HydrophobicContact CE1-CZ2 4.29Å; F258-W308 HydrophobicContact CE2-CB 3.63Å; F258-W308 HydrophobicContact CE2-CD2 4.16Å; F258-W308 AromaticContact CE2-CG 3.82Å; F258-W308 HydrophobicContact CE2-CG 3.82Å; F258-W308 HydrophobicContact CZ-CB 3.6Å; F258-W308 AromaticContact CZ-CD1 3.55Å; F258-W308 AromaticContact CZ-CD2 3.4Å; F258-W308 HydrophobicContact CZ-CD2 3.4Å; F258-W308 VanDerWaalsContact CZ-CD2 3.4Å; F258-W308 AromaticContact CZ-CE2 3.77Å; F258-W308 HydrophobicContact CZ-CE3 4.02Å; F258-W308 AromaticContact CZ-CG 3.23Å; F258-W308 HydrophobicContact CZ-CG 3.23Å; F258-W308 AromaticContact CZ-NE1 3.82Å; P259-W308 HydrophobicContact CB-CE3 4.42Å; P259-W308 HydrophobicContact CB-CH2 4.5Å; P259-W308 HydrophobicContact CB-CZ3 3.74Å; P259-W308 HydrophobicContact CG-CE3 3.74Å; P259-W308 HydrophobicContact CG-CZ3 3.57Å; P259-W308 WeakPolarHBondContact O-CH2 3.41Å; P259-W308 WeakPolarHBondContact O-CZ3 3.46Å; R303-W308 HydrophobicContact CB-CZ3 4.38Å; R303-W308 HydrophobicContact CG-CH2 4.31Å; R303-W308 HydrophobicContact CG-CZ3 4.45Å; W308-I324 HydrophobicContact CB-CB 4.19Å; W308-I324 PolarHBondContact O-N 3.37Å |
| 309 | L | 89.1 | Confident | 87 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.5 | -177.1 | -62.1 | 155.3 | 0 | 0 | 0 | 109.6 | Y42 F300 A301 L305 G307 W322 Q323 | Y42-L309 WeakPolarHBondContact OH-CD1 3.45Å; F300-L309 CarbonylContact C-O 3.52Å; F300-L309 WeakPolarHBondContact CA-O 3.29Å; A301-L309 HydrophobicContact CB-CB 3.67Å; A301-L309 HydrophobicContact CB-CD1 4.33Å; A301-L309 PolarHBondContact N-O 3.15Å; L305-L309 HydrophobicContact CB-CD1 4.46Å; G307-L309 PolarHBondContact O-N 3.01Å; L309-W322 CarbonylContact C-O 3.58Å; L309-W322 VanDerWaalsContact CA-O 3.29Å; L309-W322 WeakPolarHBondContact CA-O 3.39Å; L309-Q323 HydrophobicContact CD2-CB 4.13Å |
| 310 | L | 92.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.1 | 175.7 | 179.6 | 75.2 | 0 | 0 | 0 | 108.8 | M1 I266 L298 F300 V312 C321 W322 I324 | M1-L310 HydrophobicContact SD-CD2 4.25Å; I266-L310 HydrophobicContact CD1-CD1 4.03Å; I266-L310 HydrophobicContact CD1-CD2 3.5Å; I266-L310 VanDerWaalsContact CD1-CD2 3.5Å; I266-L310 HydrophobicContact CD1-CG 4.28Å; I266-L310 HydrophobicContact CG2-CD2 4.31Å; L298-L310 HydrophobicContact CD1-CD1 3.7Å; L298-L310 HydrophobicContact CD1-CD2 3.94Å; L298-L310 HydrophobicContact CD1-CG 3.95Å; L298-L310 HydrophobicContact CG-CD1 4.03Å; F300-L310 HydrophobicContact CD1-CB 4.46Å; F300-L310 HydrophobicContact CD1-CD1 4.12Å; F300-L310 HydrophobicContact CD2-CD1 4.21Å; F300-L310 HydrophobicContact CE1-CB 4.43Å; F300-L310 HydrophobicContact CE1-CD1 4.07Å; F300-L310 HydrophobicContact CE2-CD1 4.14Å; F300-L310 HydrophobicContact CG-CD1 4.21Å; F300-L310 HydrophobicContact CZ-CD1 4.09Å; L310-V312 HydrophobicContact CD2-CG2 3.93Å; L310-V312 HydrophobicContact CG-CG2 4.05Å; L310-C321 CarbonylContact O-C 3.57Å; L310-C321 WeakPolarHBondContact O-CA 3.36Å; L310-W322 HydrophobicContact CB-CB 4.33Å; L310-W322 PolarHBondContact N-O 2.89Å; L310-W322 PolarHBondContact O-N 3.09Å; L310-I324 HydrophobicContact CB-CD1 3.91Å |
| 311 | L | 93.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 139.5 | 166.8 | -68.9 | -175.1 | 0 | 0 | 0 | 111.2 | F5 V17 F19 L28 L298 Q299 I319 S320 C321 | F5-L311 HydrophobicContact CZ-CD2 4.28Å; V17-L311 HydrophobicContact CG1-CB 4.14Å; V17-L311 HydrophobicContact CG1-CD1 4.35Å; V17-L311 HydrophobicContact CG2-CD1 3.63Å; F19-L311 HydrophobicContact CD2-CD1 3.97Å; F19-L311 HydrophobicContact CE1-CD1 3.81Å; F19-L311 HydrophobicContact CE1-CG 4.38Å; F19-L311 HydrophobicContact CE2-CB 4.23Å; F19-L311 HydrophobicContact CE2-CD1 3.16Å; F19-L311 HydrophobicContact CE2-CG 3.39Å; F19-L311 HydrophobicContact CZ-CD1 3.09Å; F19-L311 HydrophobicContact CZ-CD2 4.02Å; F19-L311 HydrophobicContact CZ-CG 3.3Å; L28-L311 HydrophobicContact CD1-CD1 3.26Å; L28-L311 HydrophobicContact CD2-CD1 4.41Å; L28-L311 HydrophobicContact CG-CD1 4.46Å; L298-L311 WeakPolarHBondContact CA-O 3.41Å; Q299-L311 PolarHBondContact N-O 3.06Å; Q299-L311 PolarHBondContact O-N 2.94Å; L311-I319 HydrophobicContact CD2-CG2 4Å; L311-S320 WeakPolarHBondContact CA-O 3.35Å; L311-C321 HydrophobicContact CD2-CB 3.54Å |
| 312 | V | 94.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 118.3 | -178.8 | -171.2 | 0 | 0 | 0 | 0 | 106.8 | L274 V295 L298 L310 I319 S320 | L274-V312 HydrophobicContact CD1-CB 4.41Å; L274-V312 HydrophobicContact CD1-CG1 4.17Å; L274-V312 HydrophobicContact CD1-CG2 3.56Å; L274-V312 HydrophobicContact CD2-CG1 3.96Å; L274-V312 HydrophobicContact CD2-CG2 4.38Å; V295-V312 HydrophobicContact CB-CG1 4.47Å; V295-V312 HydrophobicContact CG1-CG1 3.79Å; V295-V312 HydrophobicContact CG2-CG1 3.84Å; L298-V312 HydrophobicContact CD1-CB 4.36Å; L298-V312 HydrophobicContact CD1-CG1 4.31Å; L298-V312 HydrophobicContact CD1-CG2 3.68Å; L310-V312 HydrophobicContact CD2-CG2 3.93Å; L310-V312 HydrophobicContact CG-CG2 4.05Å; V312-I319 CarbonylContact O-C 3.48Å; V312-I319 VanDerWaalsContact O-CA 3.25Å; V312-I319 WeakPolarHBondContact O-CA 3.2Å; V312-S320 PolarHBondContact N-O 3.18Å; V312-S320 PolarHBondContact O-N 3.25Å |
| 313 | C | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 139.4 | 169.9 | -59.3 | 0 | 0 | 0 | 0 | 109 | F14 V17 V295 T296 C297 I319 | F14-C313 HydrophobicContact CB-CB 4.05Å; V17-C313 VanDerWaalsContact CB-SG 3.51Å; V17-C313 VanDerWaalsContact CG1-SG 3.6Å; V295-C313 CarbonylContact C-O 3.58Å; V295-C313 VanDerWaalsContact CA-O 3.29Å; V295-C313 WeakPolarHBondContact CA-O 3.4Å; V295-C313 WeakPolarHBondContact CG1-O 3.02Å; T296-C313 PolarHBondContact N-O 3.18Å; T296-C313 VanDerWaalsContact OG1-CB 3.28Å; T296-C313 WeakPolarHBondContact OG1-CB 3.33Å; T296-C313 PolarHBondContact OG1-O 3.19Å; C297-C313 HydrophobicContact CB-CB 3.87Å; C297-C313 PolarHBondContact O-N 3.21Å; C313-I319 HydrophobicContact CB-CG1 4.46Å |
| 314 | S | 95.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.1 | 170.7 | 174 | 0 | 0 | 0 | 0 | 112 | H291 K293 S294 D316 G317 V318 | H291-S314 VanDerWaalsContact ND1-CB 3.26Å; H291-S314 WeakPolarHBondContact ND1-CB 3.44Å; K293-S314 PolarHBondContact O-OG 2.88Å; S294-S314 WeakPolarHBondContact O-CA 3.46Å; S294-S314 PolarHBondContact O-OG 3.1Å; S294-S314 VanDerWaalsContact O-OG 3.12Å; S314-D316 VanDerWaalsContact CB-OD1 3.25Å; S314-D316 WeakPolarHBondContact CB-OD1 3.37Å; S314-D316 PolarHBondContact O-N 3.29Å; S314-D316 VanDerWaalsContact O-N 3.15Å; S314-D316 VanDerWaalsContact OG-CG 3.28Å; S314-D316 PolarHBondContact OG-N 3.15Å; S314-D316 VanDerWaalsContact OG-N 3.16Å; S314-D316 PolarHBondContact OG-OD1 3.39Å; S314-D316 PolarHBondContact OG-OD2 2.62Å; S314-G317 PolarHBondContact O-N 3.27Å; S314-G317 VanDerWaalsContact O-N 3.07Å; S314-V318 PolarHBondContact N-O 3.32Å; S314-V318 VanDerWaalsContact N-O 3.07Å |
| 315 | S | 94.9 | Very high | 88.3 | Confident | 25 Ų | 25 | 23.1 Ų | 23.1 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -4 | 169.4 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | K293 S294 G317 | K293-S315 WeakPolarHBondContact CB-OG 3.46Å; K293-S315 WeakPolarHBondContact CD-O 3.2Å; S294-S315 PolarHBondContact N-OG 3.04Å; S294-S315 PolarHBondContact O-N 2.89Å; S294-S315 PolarHBondContact O-OG 2.84Å; S315-G317 PolarHBondContact O-N 2.51Å |
| 316 | D | 94.2 | Very high | 88.2 | Confident | 43 Ų | 43 | 23.6 Ų | 23.6 | 23% | 0.23 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -5.3 | 166.3 | 67.8 | 12.7 | 0 | 0 | 0 | 113.6 | H291 R292 K293 S314 V318 | H291-D316 VanDerWaalsContact CA-OD2 3.3Å; H291-D316 WeakPolarHBondContact CA-OD2 3.36Å; H291-D316 WeakPolarHBondContact CB-OD2 3.32Å; H291-D316 IonicContact CG-OD2 3.92Å; H291-D316 IonicContact ND1-OD1 3.42Å; H291-D316 PolarHBondContact ND1-OD1 3.26Å; H291-D316 IonicContact ND1-OD2 3.05Å; H291-D316 PolarHBondContact ND1-OD2 2.65Å; R292-D316 PolarHBondContact N-OD2 2.8Å; R292-D316 VanDerWaalsContact N-OD2 3.09Å; K293-D316 HydrophobicContact CB-CB 4.1Å; K293-D316 HydrophobicContact CD-CB 4.35Å; K293-D316 HydrophobicContact CG-CB 4.07Å; S314-D316 VanDerWaalsContact CB-OD1 3.25Å; S314-D316 WeakPolarHBondContact CB-OD1 3.37Å; S314-D316 PolarHBondContact O-N 3.29Å; S314-D316 VanDerWaalsContact O-N 3.15Å; S314-D316 VanDerWaalsContact OG-CG 3.28Å; S314-D316 PolarHBondContact OG-N 3.15Å; S314-D316 VanDerWaalsContact OG-N 3.16Å; S314-D316 PolarHBondContact OG-OD1 3.39Å; S314-D316 PolarHBondContact OG-OD2 2.62Å; D316-V318 WeakPolarHBondContact OD1-CB 3.37Å; D316-V318 PolarHBondContact OD1-N 3.14Å |
| 317 | G | 94.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 23.5 Ų | 23.5 | 7% | 0.072 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 89.6 | 10.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T8 A9 S314 S315 | T8-G317 CarbonylContact C-O 3.54Å; T8-G317 WeakPolarHBondContact CA-O 3.21Å; A9-G317 WeakPolarHBondContact CB-O 3.46Å; A9-G317 PolarHBondContact N-O 3.02Å; S314-G317 PolarHBondContact O-N 3.27Å; S314-G317 VanDerWaalsContact O-N 3.07Å; S315-G317 PolarHBondContact O-N 2.51Å |
| 318 | V | 95 | Very high | 86.4 | Confident | 30 Ų | 30 | 25.9 Ų | 25.9 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.4 | -178.7 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | I7 T8 F290 H291 S314 D316 | I7-V318 CarbonylContact O-C 3.59Å; I7-V318 WeakPolarHBondContact O-CA 3.39Å; T8-V318 HydrophobicContact CG2-CG2 4.4Å; F290-V318 HydrophobicContact CE1-CG1 4.1Å; H291-V318 PolarHBondContact CE1-O 3.34Å; S314-V318 PolarHBondContact N-O 3.32Å; S314-V318 VanDerWaalsContact N-O 3.07Å; D316-V318 WeakPolarHBondContact OD1-CB 3.37Å; D316-V318 PolarHBondContact OD1-N 3.14Å |
| 319 | I | 94.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124 | 155 | -70.2 | 159.9 | 0 | 0 | 0 | 107 | G6 I7 F14 A30 L311 V312 C313 | G6-I319 CarbonylContact C-O 3.6Å; G6-I319 WeakPolarHBondContact CA-O 3.08Å; I7-I319 HydrophobicContact CB-CB 4.32Å; I7-I319 PolarHBondContact N-O 2.96Å; I7-I319 PolarHBondContact O-N 2.99Å; F14-I319 HydrophobicContact CB-CD1 4.11Å; F14-I319 HydrophobicContact CB-CG1 3.98Å; F14-I319 HydrophobicContact CD1-CD1 3.64Å; F14-I319 HydrophobicContact CD1-CG1 4.32Å; F14-I319 HydrophobicContact CD2-CB 4.34Å; F14-I319 HydrophobicContact CD2-CD1 3.59Å; F14-I319 HydrophobicContact CD2-CG1 3.42Å; F14-I319 VanDerWaalsContact CD2-CG1 3.42Å; F14-I319 HydrophobicContact CE1-CD1 3.82Å; F14-I319 HydrophobicContact CE2-CB 4.45Å; F14-I319 HydrophobicContact CE2-CD1 3.73Å; F14-I319 HydrophobicContact CE2-CG1 3.85Å; F14-I319 HydrophobicContact CG-CD1 3.5Å; F14-I319 HydrophobicContact CG-CG1 3.66Å; F14-I319 HydrophobicContact CZ-CD1 3.85Å; F14-I319 HydrophobicContact CZ-CG1 4.47Å; A30-I319 HydrophobicContact CB-CD1 3.65Å; L311-I319 HydrophobicContact CD2-CG2 4Å; V312-I319 CarbonylContact O-C 3.48Å; V312-I319 VanDerWaalsContact O-CA 3.25Å; V312-I319 WeakPolarHBondContact O-CA 3.2Å; C313-I319 HydrophobicContact CB-CG1 4.46Å |
| 320 | S | 93.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.6 | 169.1 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | H291 L311 V312 W322 | H291-S320 PolarHBondContact NE2-OG 2.63Å; L311-S320 WeakPolarHBondContact CA-O 3.35Å; V312-S320 PolarHBondContact N-O 3.18Å; V312-S320 PolarHBondContact O-N 3.25Å; S320-W322 PolarHBondContact OG-NE1 2.73Å |
| 321 | C | 92.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.1 | 173.2 | -172.8 | 0 | 0 | 0 | 0 | 110 | A4 F5 L310 L311 | A4-C321 HydrophobicContact CB-CB 4.29Å; A4-C321 PolarHBondContact N-O 3.23Å; F5-C321 HydrophobicContact CD1-CB 3.65Å; F5-C321 HydrophobicContact CD2-CB 3.91Å; F5-C321 HydrophobicContact CE1-CB 3.38Å; F5-C321 WeakPolarHBondContact CE1-SG 3.25Å; F5-C321 HydrophobicContact CE2-CB 3.65Å; F5-C321 HydrophobicContact CG-CB 3.91Å; F5-C321 HydrophobicContact CZ-CB 3.37Å; F5-C321 PolarHBondContact O-N 3.41Å; L310-C321 CarbonylContact O-C 3.57Å; L310-C321 WeakPolarHBondContact O-CA 3.36Å; L311-C321 HydrophobicContact CD2-CB 3.54Å |
| 322 | W | 91.8 | Very high | 77 | Confident | 16 Ų | 16 | 43 Ų | 43 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.7 | -178.9 | -56.5 | 85.6 | 0 | 0 | 0 | 109.9 | M1 K2 Y3 L288 F290 L309 L310 S320 | M1-W322 HydrophobicContact CB-CB 4.38Å; M1-W322 HydrophobicContact CB-CE3 4.47Å; K2-W322 CarbonylContact O-C 3.57Å; K2-W322 WeakPolarHBondContact O-CA 3.43Å; Y3-W322 AromaticContact CD2-CH2 3.96Å; Y3-W322 HydrophobicContact CD2-CH2 3.96Å; Y3-W322 HydrophobicContact CD2-CZ2 4.04Å; Y3-W322 HydrophobicContact CD2-CZ3 4.25Å; Y3-W322 HydrophobicContact CG-CZ3 4.5Å; L288-W322 HydrophobicContact CD1-CD2 4.45Å; L288-W322 HydrophobicContact CD1-CE3 4.17Å; L288-W322 HydrophobicContact CD1-CZ3 4.36Å; F290-W322 HydrophobicContact CB-CH2 3.86Å; F290-W322 HydrophobicContact CB-CZ2 3.54Å; F290-W322 HydrophobicContact CD1-CZ2 4.04Å; F290-W322 AromaticContact CD2-CH2 3.93Å; F290-W322 HydrophobicContact CD2-CH2 3.93Å; F290-W322 AromaticContact CD2-CZ2 3.91Å; F290-W322 HydrophobicContact CD2-CZ2 3.91Å; F290-W322 AromaticContact CG-CH2 3.97Å; F290-W322 HydrophobicContact CG-CH2 3.97Å; F290-W322 AromaticContact CG-CZ2 3.56Å; F290-W322 HydrophobicContact CG-CZ2 3.56Å; L309-W322 CarbonylContact C-O 3.58Å; L309-W322 VanDerWaalsContact CA-O 3.29Å; L309-W322 WeakPolarHBondContact CA-O 3.39Å; L310-W322 HydrophobicContact CB-CB 4.33Å; L310-W322 PolarHBondContact N-O 2.89Å; L310-W322 PolarHBondContact O-N 3.09Å; S320-W322 PolarHBondContact OG-NE1 2.73Å |
| 323 | Q | 89.2 | Confident | 74 | Confident | 88 Ų | 88 | 49 Ų | 49 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.8 | 166.6 | -176 | 172.2 | -15.5 | 0 | 0 | 109.2 | M1 K2 L309 | M1-Q323 CarbonylContact C-O 3.55Å; K2-Q323 PolarHBondContact N-O 2.97Å; K2-Q323 PolarHBondContact O-N 2.86Å; L309-Q323 HydrophobicContact CD2-CB 4.13Å |
| 324 | I | 85.8 | Confident | 71.3 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.5 | 177.2 | -61.6 | 163.1 | 0 | 0 | 0 | 106.6 | M1 F258 M264 I266 F300 W308 L310 A326 | M1-I324 HydrophobicContact CB-CG1 4.18Å; M1-I324 HydrophobicContact CE-CD1 4.29Å; M1-I324 HydrophobicContact CE-CG1 4.46Å; M1-I324 HydrophobicContact CG-CG1 3.84Å; M1-I324 HydrophobicContact SD-CD1 4.09Å; M1-I324 HydrophobicContact SD-CG1 3.92Å; F258-I324 HydrophobicContact CD2-CD1 4.29Å; F258-I324 HydrophobicContact CD2-CG2 4.22Å; F258-I324 HydrophobicContact CE2-CB 3.97Å; F258-I324 HydrophobicContact CE2-CD1 4.2Å; F258-I324 HydrophobicContact CE2-CG2 3.55Å; F258-I324 HydrophobicContact CZ-CG2 4.32Å; M264-I324 HydrophobicContact SD-CG2 4.28Å; I266-I324 HydrophobicContact CD1-CD1 3.75Å; F300-I324 HydrophobicContact CD1-CD1 4.44Å; F300-I324 HydrophobicContact CE1-CD1 3.51Å; F300-I324 HydrophobicContact CZ-CD1 4.22Å; W308-I324 HydrophobicContact CB-CB 4.19Å; W308-I324 PolarHBondContact O-N 3.37Å; L310-I324 HydrophobicContact CB-CD1 3.91Å; I324-A326 PolarHBondContact O-N 2.84Å |
| 325 | D | 76.6 | Confident | 68.5 | Low | 82 Ų | 82 | 63.9 Ų | 63.9 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | trans | -69.4 | 102.6 | 168 | -63.6 | -29.4 | 0 | 0 | 0 | 105.9 | K2 | K2-D325 VanDerWaalsContact CE-OD2 3.25Å; K2-D325 WeakPolarHBondContact CE-OD2 3.5Å; K2-D325 IonicContact NZ-OD2 2.87Å; K2-D325 PolarHBondContact NZ-OD2 3.34Å | ||
| 326 | A | 65.3 | Low | 65.5 | Low | 33 Ų | 33 | 65.6 Ų | 65.6 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 129.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107 | F258 V262 I324 S328 | F258-A326 HydrophobicContact CE1-CB 4.46Å; F258-A326 HydrophobicContact CZ-CB 4.11Å; V262-A326 HydrophobicContact CG2-CB 3.83Å; I324-A326 PolarHBondContact O-N 2.84Å; A326-S328 PolarHBondContact O-N 2.89Å |
| 327 | P | 53.7 | Low | 62.5 | Low | 75 Ų | 75 | 68.2 Ų | 68.2 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 118.9 | 164.5 | -14.3 | 26.8 | 0 | 0 | 0 | 106.1 | V262 T329 | V262-P327 HydrophobicContact CG1-CG 4.1Å; P327-T329 PolarHBondContact O-N 3.49Å; P327-T329 VanDerWaalsContact O-N 3.08Å |
| 328 | S | 47.6 | Very low | 59.5 | Low | 73 Ų | 73 | 74.2 Ų | 74.2 | 51% | 0.51 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 119.8 | 178.1 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | A326 D330 S331 | A326-S328 PolarHBondContact O-N 2.89Å; S328-D330 PolarHBondContact O-N 3.02Å; S328-D330 VanDerWaalsContact O-N 3.12Å; S328-S331 PolarHBondContact O-N 3.03Å; S328-S331 PolarHBondContact O-OG 3.16Å |
| 329 | T | 48.5 | Very low | 56.6 | Low | 87 Ų | 87 | 78 Ų | 78 | 53% | 0.534 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -60.1 | -16.4 | 169.6 | 38.4 | 0 | 0 | 0 | 0 | 111.7 | D261 P327 S331 L332 | D261-T329 HydrophobicContact CB-CG2 4.18Å; P327-T329 PolarHBondContact O-N 3.49Å; P327-T329 VanDerWaalsContact O-N 3.08Å; T329-S331 PolarHBondContact O-N 2.89Å; T329-S331 VanDerWaalsContact O-N 3.1Å; T329-L332 PolarHBondContact O-N 3.02Å |
| 330 | D | 40.8 | Very low | 53.8 | Low | 106 Ų | 106 | 82.2 Ų | 82.2 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -61.7 | -13.5 | 175.1 | -75 | -21.9 | 0 | 0 | 0 | 115 | S328 L332 L333 A334 | S328-D330 PolarHBondContact O-N 3.02Å; S328-D330 VanDerWaalsContact O-N 3.12Å; D330-L332 PolarHBondContact O-N 2.79Å; D330-L333 PolarHBondContact O-N 3.34Å; D330-A334 PolarHBondContact O-N 3.38Å |
| 331 | S | 37.9 | Very low | 51 | Low | 79 Ų | 79 | 91.7 Ų | 91.7 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -65.3 | -18.1 | 173.5 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | S328 T329 | S328-S331 PolarHBondContact O-N 3.03Å; S328-S331 PolarHBondContact O-OG 3.16Å; T329-S331 PolarHBondContact O-N 2.89Å; T329-S331 VanDerWaalsContact O-N 3.1Å |
| 332 | L | 35.9 | Very low | 48.3 | Very low | 151 Ų | 151 | 99.3 Ų | 99.3 | 79% | 0.791 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -77.7 | -29.4 | 171.5 | -101.1 | 146.6 | 0 | 0 | 0 | 112.8 | T329 D330 | T329-L332 PolarHBondContact O-N 3.02Å; D330-L332 PolarHBondContact O-N 2.79Å |
| 333 | L | 33.8 | Very low | 45.7 | Very low | 127 Ų | 127 | 103.8 Ų | 103.8 | 67% | 0.665 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -76.1 | -26.3 | 173.7 | -74 | 168.4 | 0 | 0 | 0 | 112.3 | D330 R335 G336 | D330-L333 PolarHBondContact O-N 3.34Å; L333-R335 PolarHBondContact O-N 3.25Å; L333-G336 PolarHBondContact O-N 3.19Å |
| 334 | A | 37 | Very low | 43.8 | Very low | 81 Ų | 81 | 108.5 Ų | 108.5 | 67% | 0.669 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -67.5 | -18 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D330 | D330-A334 PolarHBondContact O-N 3.38Š|
| 335 | R | 35.1 | Very low | 41.7 | Very low | 231 Ų | 231 | 113.6 Ų | 113.6 | 87% | 0.872 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -93.8 | 1 | 175.1 | -72.8 | -167.7 | 175.8 | -164.8 | -0.2 | 114.4 | L333 | L333-R335 PolarHBondContact O-N 3.25Š|
| 336 | G | 32.6 | Very low | 39.8 | Very low | 61 Ų | 61 | 115.3 Ų | 115.3 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -96.7 | -9.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | L333 | L333-G336 PolarHBondContact O-N 3.19Š|
| 337 | S | 30.6 | Very low | 38.4 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | -104.6 | 61.2 | -179.3 | -70 | 0 | 0 | 0 | 0 | 112.2 | T339 | S337-T339 PolarHBondContact O-N 3.15Å; S337-T339 VanDerWaalsContact O-N 3.15Å | ||
| 338 | T | 32 | Very low | 37.5 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -77.8 | 81.5 | 153.2 | 37.7 | 0 | 0 | 0 | 0 | 107.7 | A340 | T338-A340 PolarHBondContact O-N 3.22Š| ||
| 339 | T | 35.1 | Very low | 36.9 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -65.8 | 118 | 168.2 | 33.4 | 0 | 0 | 0 | 0 | 108.8 | S337 F341 | S337-T339 PolarHBondContact O-N 3.15Å; S337-T339 VanDerWaalsContact O-N 3.15Å; T339-F341 PolarHBondContact O-N 3.15Å; T339-F341 VanDerWaalsContact O-N 3.15Å | ||
| 340 | A | 34.6 | Very low | 36.1 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -55.7 | 112.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | T338 I342 | T338-A340 PolarHBondContact O-N 3.22Å; A340-I342 PolarHBondContact O-N 3.3Å | ||
| 341 | F | 35.4 | Very low | 35.8 | Very low | 200 Ų | 200 | 129.7 Ų | 129.7 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -75.1 | 101.2 | 160.3 | -77.8 | -88.6 | 0 | 0 | 0 | 107.3 | T339 S343 | T339-F341 PolarHBondContact O-N 3.15Å; T339-F341 VanDerWaalsContact O-N 3.15Å; F341-S343 PolarHBondContact O-N 3.31Å | ||
| 342 | I | 35 | Very low | 35.6 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -71.7 | 110.3 | 167 | -61.9 | 172.7 | 0 | 0 | 0 | 106.4 | A340 | A340-I342 PolarHBondContact O-N 3.3Š| ||
| 343 | S | 36.9 | Very low | 35.6 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -72.3 | 121.8 | 169.4 | 55.4 | 0 | 0 | 0 | 0 | 109.4 | F341 | F341-S343 PolarHBondContact O-N 3.31Š| ||
| 344 | S | 49.5 | Very low | 35.8 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 100% | 1.308 | 80% | 0.804 | S | S | * | * | trans | -65.4 | 0 | 163.9 | 57.8 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 344 of 344 residues in 792.7 ms
(Link to these results)