| 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 | 51.3 | Low | 77.9 | Confident | 212 Ų | 212 | 94.9 Ų | 94.9 | 100% | 1.044 | 47% | 0.474 | S | S | * | . | 0 | 136.6 | 0 | -69.5 | -176.4 | -175.9 | 0 | 0 | 107.3 | T3 A46 | M1-T3 PolarHBondContact O-N 3.44Å; M1-A46 HydrophobicContact CB-CB 4.05Å; M1-A46 HydrophobicContact SD-CB 4.44Å | |||
| 2 | A | 51.9 | Low | 79.5 | Confident | 64 Ų | 64 | 93.1 Ų | 93.1 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | trans | -70.8 | 121.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E4 E5 | A2-E4 PolarHBondContact O-N 3.18Å; A2-E5 HydrophobicContact CB-CG 4.26Å | ||
| 3 | T | 61.8 | Low | 80.7 | Confident | 62 Ų | 62 | 97.8 Ų | 97.8 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -3.4 | 175.3 | 45.1 | 0 | 0 | 0 | 0 | 112.8 | M1 | M1-T3 PolarHBondContact O-N 3.44Š|
| 4 | E | 66.4 | Low | 81.9 | Confident | 159 Ų | 159 | 93.6 Ų | 93.6 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 22 | -177.9 | -63.5 | -170.5 | 165.9 | 0 | 0 | 113.8 | A2 | A2-E4 PolarHBondContact O-N 3.18Š|
| 5 | E | 74.4 | Confident | 82.9 | Confident | 102 Ų | 102 | 88.1 Ų | 88.1 | 48% | 0.477 | 43% | 0.434 | S | S | . | . | trans | -76.9 | 133.4 | 174.8 | -66.7 | -178.4 | -178.4 | 0 | 0 | 111.1 | A2 I7 I8 | A2-E5 HydrophobicContact CB-CG 4.26Å; E5-I7 VanDerWaalsContact C-N 3.28Å; E5-I7 PolarHBondContact O-N 3.1Å; E5-I8 HydrophobicContact CB-CG1 4.27Å | ||
| 6 | F | 81.6 | Confident | 83.8 | Confident | 130 Ų | 130 | 82.6 Ų | 82.6 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -68.5 | -28.2 | 175.7 | -80.1 | -85.9 | 0 | 0 | 0 | 112.8 | R37 | F6-R37 PolarHBondContact O-N 3.1Å; F6-R37 VanDerWaalsContact O-N 3.09Å |
| 7 | I | 90.7 | Very high | 84.5 | Confident | 105 Ų | 105 | 78.7 Ų | 78.7 | 54% | 0.538 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.3 | -177.3 | -57.6 | 176.9 | 0 | 0 | 0 | 107.9 | E5 T34 | E5-I7 VanDerWaalsContact C-N 3.28Å; E5-I7 PolarHBondContact O-N 3.1Å; I7-T34 HydrophobicContact CG2-CG2 3.39Å |
| 8 | I | 92.9 | Very high | 85.1 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 114 | -178.4 | -63 | 159.3 | 0 | 0 | 0 | 108.4 | E5 I10 I16 Y35 V43 P47 | E5-I8 HydrophobicContact CB-CG1 4.27Å; I8-I10 HydrophobicContact CG2-CG1 4.21Å; I8-I10 PolarHBondContact O-N 2.72Å; I8-I16 HydrophobicContact CD1-CD1 4.44Å; I8-I16 HydrophobicContact CG2-CD1 4.28Å; I8-I16 HydrophobicContact CG2-CG2 4.49Å; I8-Y35 PolarHBondContact N-O 2.93Å; I8-Y35 PolarHBondContact O-N 3.43Å; I8-V43 HydrophobicContact CD1-CB 3.82Å; I8-V43 HydrophobicContact CD1-CG1 3.85Å; I8-V43 HydrophobicContact CD1-CG2 3.22Å; I8-P47 HydrophobicContact CG2-CG 3.74Å |
| 9 | R | 94.3 | Very high | 85.6 | Confident | 155 Ų | 155 | 71.5 Ų | 71.5 | 59% | 0.585 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 109.8 | 172.5 | -176.7 | 63.1 | 175.9 | 176.8 | 2.3 | 108.9 | P11 T34 | R9-P11 VanDerWaalsContact O-CD 3.31Å; R9-P11 WeakPolarHBondContact O-CD 3.24Å; R9-T34 WeakPolarHBondContact CD-OG1 3.41Å; R9-T34 PolarHBondContact NH1-OG1 2.86Å |
| 10 | I | 95.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 111.6 | 174.5 | -47.7 | 173.9 | 0 | 0 | 0 | 107.8 | I8 H14 I16 E29 P32 K33 P47 | I8-I10 HydrophobicContact CG2-CG1 4.21Å; I8-I10 PolarHBondContact O-N 2.72Å; I10-H14 HydrophobicContact CG2-CB 4Å; I10-H14 WeakPolarHBondContact CG2-O 3.4Å; I10-I16 HydrophobicContact CD1-CD1 3.65Å; I10-I16 HydrophobicContact CD1-CG1 3.69Å; I10-I16 HydrophobicContact CG1-CD1 4.19Å; I10-I16 HydrophobicContact CG1-CG1 4.42Å; I10-I16 HydrophobicContact CG1-CG2 4.45Å; I10-E29 HydrophobicContact CD1-CB 4.14Å; I10-P32 WeakPolarHBondContact O-CA 3.39Å; I10-K33 HydrophobicContact CB-CG 4.34Å; I10-K33 HydrophobicContact CD1-CD 4.4Å; I10-K33 HydrophobicContact CD1-CG 3.89Å; I10-K33 HydrophobicContact CG1-CG 4.41Å; I10-K33 PolarHBondContact N-O 3.49Å; I10-K33 PolarHBondContact O-N 3.23Å; I10-P47 HydrophobicContact CG1-CG 4.47Å; I10-P47 HydrophobicContact CG2-CB 4.45Å |
| 11 | P | 96.2 | Very high | 86.4 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | trans | -66.8 | 169.1 | 178.7 | -18.6 | 32.5 | 0 | 0 | 0 | 112.6 | R9 H14 G31 | R9-P11 VanDerWaalsContact O-CD 3.31Å; R9-P11 WeakPolarHBondContact O-CD 3.24Å; P11-H14 PolarHBondContact O-N 3.11Å; P11-G31 WeakPolarHBondContact O-CA 3.34Å | ||
| 12 | P | 96.3 | Very high | 88.3 | Confident | 73 Ų | 73 | 67 Ų | 67 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 143.2 | 167.5 | -20.3 | 29.9 | 0 | 0 | 0 | 111.7 | H14 P32 | P12-H14 PolarHBondContact O-N 3.02Å; P12-H14 PolarHBondContact O-ND1 3.06Å; P12-P32 HydrophobicContact CG-CB 4.01Å |
| 13 | Y | 95.9 | Very high | 90.1 | Very high | 154 Ų | 154 | 66.7 Ų | 66.7 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 28.4 | -179.2 | -48.5 | -70.2 | 0 | 0 | 0 | 114.7 | M50 P96 | Y13-M50 WeakPolarHBondContact O-CB 3.47Å; Y13-M50 WeakPolarHBondContact O-CG 3.44Å; Y13-M50 PolarHBondContact O-N 2.98Å; Y13-P96 HydrophobicContact CD1-CB 3.83Å; Y13-P96 HydrophobicContact CD1-CG 3.76Å; Y13-P96 HydrophobicContact CE1-CB 4.47Å; Y13-P96 HydrophobicContact CE1-CG 3.99Å |
| 14 | H | 97.4 | Very high | 91.5 | Very high | 40 Ų | 40 | 69.1 Ų | 69.1 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 158.3 | 171.3 | -67.8 | 63.5 | 0 | 0 | 0 | 110.4 | I10 P11 P12 G31 P47 M48 R49 | I10-H14 HydrophobicContact CG2-CB 4Å; I10-H14 WeakPolarHBondContact CG2-O 3.4Å; P11-H14 PolarHBondContact O-N 3.11Å; P12-H14 PolarHBondContact O-N 3.02Å; P12-H14 PolarHBondContact O-ND1 3.06Å; H14-G31 PolarHBondContact O-N 2.98Å; H14-P47 HydrophobicContact CB-CB 4.18Å; H14-M48 CarbonylContact C-O 3.5Å; H14-M48 WeakPolarHBondContact CA-O 3.34Å; H14-M48 VanDerWaalsContact CB-O 3.3Å; H14-M48 WeakPolarHBondContact CB-O 3.45Å; H14-R49 WeakPolarHBondContact NE2-CG 3.35Å |
| 15 | Y | 97.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 158.2 | 177.1 | 71 | -80.4 | 0 | 0 | 0 | 111.7 | H17 V28 E29 F45 M48 R49 M50 P98 L99 | Y15-H17 AromaticContact CD2-NE2 3.9Å; Y15-H17 AromaticContact CE2-NE2 3.6Å; Y15-V28 HydrophobicContact CD2-CG2 3.82Å; Y15-V28 HydrophobicContact CG-CG2 4.25Å; Y15-E29 VanDerWaalsContact CA-O 3.29Å; Y15-E29 WeakPolarHBondContact CA-O 3.23Å; Y15-F45 HydrophobicContact CD2-CE2 4.19Å; Y15-F45 HydrophobicContact CD2-CZ 4.15Å; Y15-F45 HydrophobicContact CE2-CE2 4.06Å; Y15-F45 AromaticContact CE2-CZ 3.79Å; Y15-F45 HydrophobicContact CE2-CZ 3.79Å; Y15-M48 HydrophobicContact CE1-CB 4.25Å; Y15-M48 HydrophobicContact CE2-CE 4.18Å; Y15-M48 PolarHBondContact N-O 3.01Å; Y15-M48 PolarHBondContact O-N 2.77Å; Y15-R49 WeakPolarHBondContact CE1-O 3.27Å; Y15-M50 HydrophobicContact CD1-CG 3.9Å; Y15-P98 HydrophobicContact CD1-CB 3.67Å; Y15-P98 HydrophobicContact CD2-CB 3.88Å; Y15-P98 HydrophobicContact CE1-CB 4.18Å; Y15-P98 HydrophobicContact CE2-CB 4.35Å; Y15-P98 HydrophobicContact CG-CB 3.5Å; Y15-P98 VanDerWaalsContact CG-CB 3.5Å; Y15-L99 HydrophobicContact CE2-CB 4.5Å; Y15-L99 VanDerWaalsContact CE2-O 3.31Å; Y15-L99 WeakPolarHBondContact CE2-O 3.36Å |
| 16 | I | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160.2 | 168.4 | 63.2 | 178.5 | 0 | 0 | 0 | 109.4 | I8 I10 V18 E29 Y35 V43 P47 | I8-I16 HydrophobicContact CD1-CD1 4.44Å; I8-I16 HydrophobicContact CG2-CD1 4.28Å; I8-I16 HydrophobicContact CG2-CG2 4.49Å; I10-I16 HydrophobicContact CD1-CD1 3.65Å; I10-I16 HydrophobicContact CD1-CG1 3.69Å; I10-I16 HydrophobicContact CG1-CD1 4.19Å; I10-I16 HydrophobicContact CG1-CG1 4.42Å; I10-I16 HydrophobicContact CG1-CG2 4.45Å; I16-V18 HydrophobicContact CD1-CG2 3.87Å; I16-V18 HydrophobicContact CG1-CG2 4.1Å; I16-E29 HydrophobicContact CD1-CB 4.34Å; I16-E29 HydrophobicContact CG1-CB 3.77Å; I16-E29 PolarHBondContact N-O 3.11Å; I16-E29 PolarHBondContact O-N 3.19Å; I16-Y35 HydrophobicContact CD1-CD1 4.05Å; I16-Y35 HydrophobicContact CD1-CG 4.18Å; I16-V43 HydrophobicContact CB-CG1 4.29Å; I16-V43 HydrophobicContact CD1-CG1 4.16Å; I16-V43 HydrophobicContact CD1-CG2 4.34Å; I16-P47 HydrophobicContact CG2-CB 4.11Å; I16-P47 HydrophobicContact CG2-CG 3.77Å |
| 17 | H | 96.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.6 | 162.9 | -66.2 | 169.9 | 0 | 0 | 0 | 110.2 | Y15 R27 L44 F45 L99 P101 | Y15-H17 AromaticContact CD2-NE2 3.9Å; Y15-H17 AromaticContact CE2-NE2 3.6Å; H17-R27 WeakPolarHBondContact CA-O 3.43Å; H17-L44 HydrophobicContact CB-CB 4.18Å; H17-L44 HydrophobicContact CB-CD1 3.8Å; H17-L44 HydrophobicContact CB-CG 4.18Å; H17-L44 PolarHBondContact O-N 3.42Å; H17-F45 HydrophobicContact CB-CD1 4.47Å; H17-F45 HydrophobicContact CB-CE1 3.62Å; H17-F45 HydrophobicContact CB-CZ 3.77Å; H17-F45 AromaticContact CD2-CZ 3.61Å; H17-F45 AromaticContact CE1-CE1 3.93Å; H17-F45 AromaticContact CE1-CZ 3.85Å; H17-F45 AromaticContact CG-CE1 3.43Å; H17-F45 VanDerWaalsContact CG-CE1 3.43Å; H17-F45 AromaticContact CG-CZ 3.36Å; H17-F45 AromaticContact ND1-CE1 3.31Å; H17-F45 VanDerWaalsContact ND1-CE1 3.31Å; H17-F45 WeakPolarHBondContact ND1-CE1 3.46Å; H17-F45 AromaticContact ND1-CZ 3.57Å; H17-F45 AromaticContact NE2-CZ 3.89Å; H17-L99 PolarHBondContact CE1-O 3.24Å; H17-L99 PolarHBondContact NE2-O 3.01Å; H17-P101 VanDerWaalsContact CE1-CA 3.49Å; H17-P101 WeakPolarHBondContact CE1-CA 3.43Å |
| 18 | V | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.7 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | I16 S26 R27 E29 Y35 E41 V43 | I16-V18 HydrophobicContact CD1-CG2 3.87Å; I16-V18 HydrophobicContact CG1-CG2 4.1Å; V18-S26 WeakPolarHBondContact O-CA 3.48Å; V18-R27 PolarHBondContact N-O 3.33Å; V18-R27 PolarHBondContact O-N 3.14Å; V18-E29 HydrophobicContact CB-CG 4.41Å; V18-E29 HydrophobicContact CG2-CB 4.48Å; V18-E29 HydrophobicContact CG2-CG 3.74Å; V18-Y35 HydrophobicContact CG1-CE1 4.41Å; V18-Y35 HydrophobicContact CG2-CE1 3.84Å; V18-Y35 HydrophobicContact CG2-CE2 4.45Å; V18-E41 HydrophobicContact CG1-CB 3.81Å; V18-E41 HydrophobicContact CG1-CG 4.06Å; V18-V43 HydrophobicContact CG2-CG2 4.21Å |
| 19 | L | 95.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.1 | 173.2 | 172.6 | 68.7 | 0 | 0 | 0 | 108.8 | S26 E41 R42 L44 | L19-S26 WeakPolarHBondContact CD1-OG 3.32Å; L19-E41 CarbonylContact O-C 3.57Å; L19-E41 WeakPolarHBondContact O-CA 3.27Å; L19-R42 PolarHBondContact N-O 2.82Å; L19-R42 PolarHBondContact O-N 2.84Å; L19-L44 HydrophobicContact CB-CD2 3.93Å; L19-L44 HydrophobicContact CB-CG 4.38Å; L19-L44 HydrophobicContact CD2-CD2 4.41Å |
| 20 | D | 94 | Very high | 94.7 | Very high | 29 Ų | 29 | 48 Ų | 48 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.5 | 165.3 | 174.6 | 5.5 | 0 | 0 | 0 | 109 | N22 S23 N24 V25 N40 | D20-N22 VanDerWaalsContact C-N 3.33Å; D20-N22 WeakPolarHBondContact OD1-CB 3.37Å; D20-N22 PolarHBondContact OD1-N 2.96Å; D20-S23 WeakPolarHBondContact CB-OG 3.47Å; D20-S23 PolarHBondContact OD2-OG 2.93Å; D20-N24 CarbonylContact O-C 3.54Å; D20-N24 WeakPolarHBondContact O-CA 3.32Å; D20-N24 PolarHBondContact O-N 3.33Å; D20-V25 PolarHBondContact N-O 2.83Å; D20-V25 PolarHBondContact O-N 2.82Å; D20-N40 PolarHBondContact OD1-ND2 2.91Å |
| 21 | Q | 92.5 | Very high | 94.7 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -20.2 | -176.7 | -63 | -178.7 | -34 | 0 | 0 | 113.3 | N40 | Q21-N40 WeakPolarHBondContact CB-O 3.45Å; Q21-N40 WeakPolarHBondContact CG-O 3.46Å; Q21-N40 PolarHBondContact N-O 2.93Å |
| 22 | N | 91.9 | Very high | 94.6 | Very high | 131 Ų | 131 | 50.7 Ų | 50.7 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -44.2 | 178.4 | -68.5 | -20.4 | 0 | 0 | 0 | 111 | D20 N40 | D20-N22 VanDerWaalsContact C-N 3.33Å; D20-N22 WeakPolarHBondContact OD1-CB 3.37Å; D20-N22 PolarHBondContact OD1-N 2.96Å; N22-N40 WeakPolarHBondContact ND2-CB 3.39Å; N22-N40 PolarHBondContact ND2-ND2 3.43Å |
| 23 | S | 89.6 | Confident | 94.6 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -12.2 | -178.6 | 61 | 0 | 0 | 0 | 0 | 113.5 | D20 V25 | D20-S23 WeakPolarHBondContact CB-OG 3.47Å; D20-S23 PolarHBondContact OD2-OG 2.93Å; S23-V25 PolarHBondContact O-N 2.97Å; S23-V25 WeakPolarHBondContact OG-CB 3.32Å; S23-V25 WeakPolarHBondContact OG-CG2 3.36Å; S23-V25 PolarHBondContact OG-N 2.87Å |
| 24 | N | 91 | Very high | 94.5 | Very high | 113 Ų | 113 | 46.1 Ų | 46.1 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | trans | 56.4 | 20.8 | -167.6 | -75.3 | -40.4 | 0 | 0 | 0 | 114.3 | D20 | D20-N24 CarbonylContact O-C 3.54Å; D20-N24 WeakPolarHBondContact O-CA 3.32Å; D20-N24 PolarHBondContact O-N 3.33Å | ||
| 25 | V | 92.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | trans | -87.2 | 124.3 | -178.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | D20 S23 T78 Q80 | D20-V25 PolarHBondContact N-O 2.83Å; D20-V25 PolarHBondContact O-N 2.82Å; S23-V25 PolarHBondContact O-N 2.97Å; S23-V25 WeakPolarHBondContact OG-CB 3.32Å; S23-V25 WeakPolarHBondContact OG-CG2 3.36Å; S23-V25 PolarHBondContact OG-N 2.87Å; V25-T78 VanDerWaalsContact CG2-O 3.3Å; V25-T78 WeakPolarHBondContact CG2-O 3.32Å; V25-Q80 HydrophobicContact CG1-CB 4.21Å | ||
| 26 | S | 94 | Very high | 94.2 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132 | 170.4 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | V18 L19 | V18-S26 WeakPolarHBondContact O-CA 3.48Å; L19-S26 WeakPolarHBondContact CD1-OG 3.32Å |
| 27 | R | 94 | Very high | 94 | Very high | 69 Ų | 69 | 52 Ų | 52 | 26% | 0.26 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 160 | 177.3 | 68.8 | -173.6 | -171.6 | -88.9 | -1.3 | 112.1 | H17 V18 E29 Y35 E41 | H17-R27 WeakPolarHBondContact CA-O 3.43Å; V18-R27 PolarHBondContact N-O 3.33Å; V18-R27 PolarHBondContact O-N 3.14Å; R27-E29 IonicContact CZ-OE1 2.77Å; R27-E29 IonicContact NE-OE1 2.68Å; R27-E29 PolarHBondContact NE-OE1 2.88Å; R27-E29 IonicContact NH2-OE1 3.44Å; R27-E29 PolarHBondContact NH2-OE1 2.97Å; R27-Y35 PolarHBondContact NH2-OH 3.41Å; R27-E41 IonicContact CZ-OE1 2.94Å; R27-E41 IonicContact NH1-OE1 3.31Å; R27-E41 PolarHBondContact NH1-OE1 2.84Å; R27-E41 IonicContact NH2-OE1 3.18Å; R27-E41 PolarHBondContact NH2-OE1 3.21Å |
| 28 | V | 96 | Very high | 93.7 | Very high | 25 Ų | 25 | 56 Ų | 56 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.7 | 176 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | Y15 V30 P98 Y100 | Y15-V28 HydrophobicContact CD2-CG2 3.82Å; Y15-V28 HydrophobicContact CG-CG2 4.25Å; V28-V30 HydrophobicContact CG2-CG2 4.24Å; V28-P98 HydrophobicContact CG2-CB 3.86Å; V28-P98 HydrophobicContact CG2-CG 4.18Å; V28-Y100 HydrophobicContact CB-CD1 4.31Å; V28-Y100 HydrophobicContact CG1-CD1 3.5Å; V28-Y100 HydrophobicContact CG1-CE1 3.36Å; V28-Y100 HydrophobicContact CG1-CG 4.39Å |
| 29 | E | 95.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 63 Ų | 63 | 15% | 0.15 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.7 | 173.9 | -63 | -67.5 | -175 | 0 | 0 | 109.2 | I10 Y15 I16 V18 R27 K33 Y35 | I10-E29 HydrophobicContact CD1-CB 4.14Å; Y15-E29 VanDerWaalsContact CA-O 3.29Å; Y15-E29 WeakPolarHBondContact CA-O 3.23Å; I16-E29 HydrophobicContact CD1-CB 4.34Å; I16-E29 HydrophobicContact CG1-CB 3.77Å; I16-E29 PolarHBondContact N-O 3.11Å; I16-E29 PolarHBondContact O-N 3.19Å; V18-E29 HydrophobicContact CB-CG 4.41Å; V18-E29 HydrophobicContact CG2-CB 4.48Å; V18-E29 HydrophobicContact CG2-CG 3.74Å; R27-E29 IonicContact CZ-OE1 2.77Å; R27-E29 IonicContact NE-OE1 2.68Å; R27-E29 PolarHBondContact NE-OE1 2.88Å; R27-E29 IonicContact NH2-OE1 3.44Å; R27-E29 PolarHBondContact NH2-OE1 2.97Å; E29-K33 IonicContact OE2-NZ 2.85Å; E29-K33 PolarHBondContact OE2-NZ 2.8Å; E29-Y35 HydrophobicContact CB-CD2 4.43Å; E29-Y35 HydrophobicContact CG-CD2 4.15Å; E29-Y35 HydrophobicContact CG-CE2 3.78Å |
| 30 | V | 96.3 | Very high | 93.3 | Very high | 59 Ų | 59 | 64.2 Ų | 64.2 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 141.2 | -173.5 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | V28 K33 M50 P98 | V28-V30 HydrophobicContact CG2-CG2 4.24Å; V30-K33 VanDerWaalsContact O-CD 3.29Å; V30-K33 WeakPolarHBondContact O-CD 3.41Å; V30-K33 WeakPolarHBondContact O-CE 3.32Å; V30-K33 WeakPolarHBondContact O-CG 3.49Å; V30-M50 HydrophobicContact CB-CE 3.98Å; V30-M50 HydrophobicContact CG1-CE 3.28Å; V30-M50 HydrophobicContact CG2-CE 3.62Å; V30-P98 HydrophobicContact CG2-CB 4.36Å; V30-P98 HydrophobicContact CG2-CG 3.92Å |
| 31 | G | 93.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 63.8 Ų | 63.8 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -85.9 | 170.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P11 H14 | P11-G31 WeakPolarHBondContact O-CA 3.34Å; H14-G31 PolarHBondContact O-N 2.98Å |
| 32 | P | 95.6 | Very high | 93.3 | Very high | 91 Ų | 91 | 65 Ų | 65 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | S | Bend | cis | -83.3 | 118.2 | 7 | 30.6 | -32.6 | 0 | 0 | 0 | 112.9 | I10 P12 | I10-P32 WeakPolarHBondContact O-CA 3.39Å; P12-P32 HydrophobicContact CG-CB 4.01Å |
| 33 | K | 94.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 59 Ų | 59 | 27% | 0.265 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 154.1 | 173.5 | 67.5 | -177.1 | 176.1 | -172.2 | 0 | 112.3 | I10 E29 V30 | I10-K33 HydrophobicContact CB-CG 4.34Å; I10-K33 HydrophobicContact CD1-CD 4.4Å; I10-K33 HydrophobicContact CD1-CG 3.89Å; I10-K33 HydrophobicContact CG1-CG 4.41Å; I10-K33 PolarHBondContact N-O 3.49Å; I10-K33 PolarHBondContact O-N 3.23Å; E29-K33 IonicContact OE2-NZ 2.85Å; E29-K33 PolarHBondContact OE2-NZ 2.8Å; V30-K33 VanDerWaalsContact O-CD 3.29Å; V30-K33 WeakPolarHBondContact O-CD 3.41Å; V30-K33 WeakPolarHBondContact O-CE 3.32Å; V30-K33 WeakPolarHBondContact O-CG 3.49Å |
| 34 | T | 94.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 105.7 | 165.9 | -56.9 | 0 | 0 | 0 | 0 | 107.2 | I7 R9 | I7-T34 HydrophobicContact CG2-CG2 3.39Å; R9-T34 WeakPolarHBondContact CD-OG1 3.41Å; R9-T34 PolarHBondContact NH1-OG1 2.86Å |
| 35 | Y | 94.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.4 | 179.1 | -173.5 | -97.8 | 0 | 0 | 0 | 109.9 | I8 I16 V18 R27 E29 R37 E41 | I8-Y35 PolarHBondContact N-O 2.93Å; I8-Y35 PolarHBondContact O-N 3.43Å; I16-Y35 HydrophobicContact CD1-CD1 4.05Å; I16-Y35 HydrophobicContact CD1-CG 4.18Å; V18-Y35 HydrophobicContact CG1-CE1 4.41Å; V18-Y35 HydrophobicContact CG2-CE1 3.84Å; V18-Y35 HydrophobicContact CG2-CE2 4.45Å; R27-Y35 PolarHBondContact NH2-OH 3.41Å; E29-Y35 HydrophobicContact CB-CD2 4.43Å; E29-Y35 HydrophobicContact CG-CD2 4.15Å; E29-Y35 HydrophobicContact CG-CE2 3.78Å; Y35-R37 HydrophobicContact CE1-CB 4.19Å; Y35-E41 PolarHBondContact OH-OE1 3.13Å; Y35-E41 PolarHBondContact OH-OE2 2.79Å |
| 36 | I | 93.5 | Very high | 93.7 | Very high | 105 Ų | 105 | 56.9 Ų | 56.9 | 54% | 0.538 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 111.5 | 176.4 | -56.7 | 173 | 0 | 0 | 0 | 106.9 | Q38 | I36-Q38 PolarHBondContact O-NE2 2.59Å |
| 37 | R | 92.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 58 Ų | 58 | 18% | 0.177 | 30% | 0.298 | C | S | . | . | trans | -71 | 131.7 | -177 | -170.1 | -169.1 | 77.6 | -173.4 | -1.5 | 110 | F6 Y35 E41 V43 | F6-R37 PolarHBondContact O-N 3.1Å; F6-R37 VanDerWaalsContact O-N 3.09Å; Y35-R37 HydrophobicContact CE1-CB 4.19Å; R37-E41 WeakPolarHBondContact CD-O 3.37Å; R37-E41 HydrophobicContact CG-CB 3.81Å; R37-E41 WeakPolarHBondContact CG-O 3.32Å; R37-V43 HydrophobicContact CG-CG2 4.29Å | ||
| 38 | Q | 92.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | trans | -80.5 | 166.5 | 172.5 | -53.7 | -55.2 | -58.5 | 0 | 0 | 111.5 | I36 N40 E41 | I36-Q38 PolarHBondContact O-NE2 2.59Å; Q38-N40 VanDerWaalsContact C-N 3.29Å; Q38-N40 PolarHBondContact O-N 3.49Å; Q38-E41 HydrophobicContact CB-CG 4.02Å; Q38-E41 PolarHBondContact N-OE2 2.98Å; Q38-E41 PolarHBondContact O-N 2.99Å; Q38-E41 VanDerWaalsContact O-N 3.12Å | ||
| 39 | D | 89.4 | Confident | 93.9 | Very high | 148 Ų | 148 | 66.9 Ų | 66.9 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -34.5 | -176.8 | -68 | -23.2 | 0 | 0 | 0 | 113.1 | E41 | D39-E41 VanDerWaalsContact C-N 3.28Å; D39-E41 PolarHBondContact O-N 2.77Å |
| 40 | N | 91.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 66.1 Ų | 66.1 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.8 | 178.2 | 64.4 | -54.8 | 0 | 0 | 0 | 113.6 | D20 Q21 N22 Q38 | D20-N40 PolarHBondContact OD1-ND2 2.91Å; Q21-N40 WeakPolarHBondContact CB-O 3.45Å; Q21-N40 WeakPolarHBondContact CG-O 3.46Å; Q21-N40 PolarHBondContact N-O 2.93Å; N22-N40 WeakPolarHBondContact ND2-CB 3.39Å; N22-N40 PolarHBondContact ND2-ND2 3.43Å; Q38-N40 VanDerWaalsContact C-N 3.29Å; Q38-N40 PolarHBondContact O-N 3.49Å |
| 41 | E | 93 | Very high | 94 | Very high | 19 Ų | 19 | 64 Ų | 64 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.5 | -174.8 | -68.1 | -179.4 | 155 | 0 | 0 | 112.4 | V18 L19 R27 Y35 R37 Q38 D39 | V18-E41 HydrophobicContact CG1-CB 3.81Å; V18-E41 HydrophobicContact CG1-CG 4.06Å; L19-E41 CarbonylContact O-C 3.57Å; L19-E41 WeakPolarHBondContact O-CA 3.27Å; R27-E41 IonicContact CZ-OE1 2.94Å; R27-E41 IonicContact NH1-OE1 3.31Å; R27-E41 PolarHBondContact NH1-OE1 2.84Å; R27-E41 IonicContact NH2-OE1 3.18Å; R27-E41 PolarHBondContact NH2-OE1 3.21Å; Y35-E41 PolarHBondContact OH-OE1 3.13Å; Y35-E41 PolarHBondContact OH-OE2 2.79Å; R37-E41 WeakPolarHBondContact CD-O 3.37Å; R37-E41 HydrophobicContact CG-CB 3.81Å; R37-E41 WeakPolarHBondContact CG-O 3.32Å; Q38-E41 HydrophobicContact CB-CG 4.02Å; Q38-E41 PolarHBondContact N-OE2 2.98Å; Q38-E41 PolarHBondContact O-N 2.99Å; Q38-E41 VanDerWaalsContact O-N 3.12Å; D39-E41 VanDerWaalsContact C-N 3.28Å; D39-E41 PolarHBondContact O-N 2.77Å |
| 42 | R | 93.1 | Very high | 94.1 | Very high | 127 Ų | 127 | 66.9 Ų | 66.9 | 48% | 0.479 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.5 | 173.8 | -171.8 | 178.4 | 70.5 | -178.6 | 2 | 110.2 | L19 | L19-R42 PolarHBondContact N-O 2.82Å; L19-R42 PolarHBondContact O-N 2.84Å |
| 43 | V | 94.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 126.1 | 171.9 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | I8 I16 V18 R37 F45 | I8-V43 HydrophobicContact CD1-CB 3.82Å; I8-V43 HydrophobicContact CD1-CG1 3.85Å; I8-V43 HydrophobicContact CD1-CG2 3.22Å; I16-V43 HydrophobicContact CB-CG1 4.29Å; I16-V43 HydrophobicContact CD1-CG1 4.16Å; I16-V43 HydrophobicContact CD1-CG2 4.34Å; V18-V43 HydrophobicContact CG2-CG2 4.21Å; R37-V43 HydrophobicContact CG-CG2 4.29Å; V43-F45 WeakPolarHBondContact CG1-O 3.06Å |
| 44 | L | 93.3 | Very high | 94.3 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | trans | -79.3 | -32.8 | -173.7 | -59.7 | -175.6 | 0 | 0 | 0 | 112.6 | H17 L19 | H17-L44 HydrophobicContact CB-CB 4.18Å; H17-L44 HydrophobicContact CB-CD1 3.8Å; H17-L44 HydrophobicContact CB-CG 4.18Å; H17-L44 PolarHBondContact O-N 3.42Å; L19-L44 HydrophobicContact CB-CD2 3.93Å; L19-L44 HydrophobicContact CB-CG 4.38Å; L19-L44 HydrophobicContact CD2-CD2 4.41Å | ||
| 45 | F | 93.5 | Very high | 94.4 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -154.9 | 157 | 178.7 | 49.9 | -101.3 | 0 | 0 | 0 | 111.7 | Y15 H17 V43 M48 | Y15-F45 HydrophobicContact CD2-CE2 4.19Å; Y15-F45 HydrophobicContact CD2-CZ 4.15Å; Y15-F45 HydrophobicContact CE2-CE2 4.06Å; Y15-F45 AromaticContact CE2-CZ 3.79Å; Y15-F45 HydrophobicContact CE2-CZ 3.79Å; H17-F45 HydrophobicContact CB-CD1 4.47Å; H17-F45 HydrophobicContact CB-CE1 3.62Å; H17-F45 HydrophobicContact CB-CZ 3.77Å; H17-F45 AromaticContact CD2-CZ 3.61Å; H17-F45 AromaticContact CE1-CE1 3.93Å; H17-F45 AromaticContact CE1-CZ 3.85Å; H17-F45 AromaticContact CG-CE1 3.43Å; H17-F45 VanDerWaalsContact CG-CE1 3.43Å; H17-F45 AromaticContact CG-CZ 3.36Å; H17-F45 AromaticContact ND1-CE1 3.31Å; H17-F45 VanDerWaalsContact ND1-CE1 3.31Å; H17-F45 WeakPolarHBondContact ND1-CE1 3.46Å; H17-F45 AromaticContact ND1-CZ 3.57Å; H17-F45 AromaticContact NE2-CZ 3.89Å; V43-F45 WeakPolarHBondContact CG1-O 3.06Å; F45-M48 HydrophobicContact CD1-CE 4.12Å; F45-M48 HydrophobicContact CD2-CB 4.42Å; F45-M48 HydrophobicContact CD2-CE 3.62Å; F45-M48 HydrophobicContact CD2-CG 3.66Å; F45-M48 HydrophobicContact CD2-SD 4.1Å; F45-M48 HydrophobicContact CE1-CE 3.8Å; F45-M48 HydrophobicContact CE2-CB 4.23Å; F45-M48 HydrophobicContact CE2-CE 3.25Å; F45-M48 HydrophobicContact CE2-CG 3.89Å; F45-M48 HydrophobicContact CE2-SD 4.25Å; F45-M48 HydrophobicContact CG-CE 4.03Å; F45-M48 HydrophobicContact CG-CG 4.46Å; F45-M48 HydrophobicContact CG-SD 4.46Å; F45-M48 HydrophobicContact CZ-CE 3.37Å |
| 46 | A | 93.3 | Very high | 94.4 | Very high | 29 Ų | 29 | 72.2 Ų | 72.2 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -65.4 | 154.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 M48 | M1-A46 HydrophobicContact CB-CB 4.05Å; M1-A46 HydrophobicContact SD-CB 4.44Å; A46-M48 WeakPolarHBondContact O-CG 3.45Å; A46-M48 PolarHBondContact O-N 2.93Å |
| 47 | P | 95.5 | Very high | 94.6 | Very high | 42 Ų | 42 | 69.9 Ų | 69.9 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | trans | -45.6 | 114.4 | -175.9 | -30.1 | 35.2 | 0 | 0 | 0 | 114 | I8 I10 H14 I16 | I8-P47 HydrophobicContact CG2-CG 3.74Å; I10-P47 HydrophobicContact CG1-CG 4.47Å; I10-P47 HydrophobicContact CG2-CB 4.45Å; H14-P47 HydrophobicContact CB-CB 4.18Å; I16-P47 HydrophobicContact CG2-CB 4.11Å; I16-P47 HydrophobicContact CG2-CG 3.77Å | ||
| 48 | M | 95.2 | Very high | 94.9 | Very high | 79 Ų | 79 | 68.7 Ų | 68.7 | 39% | 0.389 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 150.6 | 177.3 | -68.2 | -159.8 | -63 | 0 | 0 | 110.7 | H14 Y15 F45 A46 | H14-M48 CarbonylContact C-O 3.5Å; H14-M48 WeakPolarHBondContact CA-O 3.34Å; H14-M48 VanDerWaalsContact CB-O 3.3Å; H14-M48 WeakPolarHBondContact CB-O 3.45Å; Y15-M48 HydrophobicContact CE1-CB 4.25Å; Y15-M48 HydrophobicContact CE2-CE 4.18Å; Y15-M48 PolarHBondContact N-O 3.01Å; Y15-M48 PolarHBondContact O-N 2.77Å; F45-M48 HydrophobicContact CD1-CE 4.12Å; F45-M48 HydrophobicContact CD2-CB 4.42Å; F45-M48 HydrophobicContact CD2-CE 3.62Å; F45-M48 HydrophobicContact CD2-CG 3.66Å; F45-M48 HydrophobicContact CD2-SD 4.1Å; F45-M48 HydrophobicContact CE1-CE 3.8Å; F45-M48 HydrophobicContact CE2-CB 4.23Å; F45-M48 HydrophobicContact CE2-CE 3.25Å; F45-M48 HydrophobicContact CE2-CG 3.89Å; F45-M48 HydrophobicContact CE2-SD 4.25Å; F45-M48 HydrophobicContact CG-CE 4.03Å; F45-M48 HydrophobicContact CG-CG 4.46Å; F45-M48 HydrophobicContact CG-SD 4.46Å; F45-M48 HydrophobicContact CZ-CE 3.37Å; A46-M48 WeakPolarHBondContact O-CG 3.45Å; A46-M48 PolarHBondContact O-N 2.93Å |
| 49 | R | 96.3 | Very high | 95.2 | Very high | 202 Ų | 202 | 63.9 Ų | 63.9 | 76% | 0.762 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 138.8 | 176.3 | -64.7 | -175.7 | 78.6 | 144.8 | 3 | 110.3 | H14 Y15 | H14-R49 WeakPolarHBondContact NE2-CG 3.35Å; Y15-R49 WeakPolarHBondContact CE1-O 3.27Å |
| 50 | M | 97.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 150.2 | 168.3 | -73.2 | 179.9 | 171.5 | 0 | 0 | 111.3 | Y13 Y15 V30 T52 P96 F97 P98 | Y13-M50 WeakPolarHBondContact O-CB 3.47Å; Y13-M50 WeakPolarHBondContact O-CG 3.44Å; Y13-M50 PolarHBondContact O-N 2.98Å; Y15-M50 HydrophobicContact CD1-CG 3.9Å; V30-M50 HydrophobicContact CB-CE 3.98Å; V30-M50 HydrophobicContact CG1-CE 3.28Å; V30-M50 HydrophobicContact CG2-CE 3.62Å; M50-T52 PolarHBondContact O-N 3.36Å; M50-P96 HydrophobicContact CB-CB 3.94Å; M50-P96 HydrophobicContact SD-CB 4.27Å; M50-F97 WeakPolarHBondContact CB-O 3.33Å; M50-P98 HydrophobicContact CE-CB 4.13Å; M50-P98 HydrophobicContact CE-CG 4.18Å; M50-P98 HydrophobicContact CG-CB 4.4Å |
| 51 | V | 97.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 122.2 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | V53 P96 F97 L99 L105 | V51-V53 HydrophobicContact CG1-CG2 4.23Å; V51-P96 WeakPolarHBondContact O-CA 3.29Å; V51-F97 HydrophobicContact CB-CD2 4.12Å; V51-F97 HydrophobicContact CB-CE1 4.23Å; V51-F97 HydrophobicContact CB-CE2 3.61Å; V51-F97 HydrophobicContact CB-CZ 3.68Å; V51-F97 HydrophobicContact CG1-CE1 4.15Å; V51-F97 HydrophobicContact CG1-CE2 3.95Å; V51-F97 HydrophobicContact CG1-CZ 3.55Å; V51-F97 HydrophobicContact CG2-CE2 4.1Å; V51-F97 PolarHBondContact N-O 3.46Å; V51-F97 PolarHBondContact O-N 2.75Å; V51-L99 HydrophobicContact CG2-CD1 4.39Å; V51-L99 HydrophobicContact CG2-CD2 4.23Å; V51-L99 HydrophobicContact CG2-CG 4.14Å; V51-L105 HydrophobicContact CG1-CD1 4.41Å; V51-L105 HydrophobicContact CG2-CD2 4.36Å |
| 52 | T | 96.7 | Very high | 96.1 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | trans | -114 | 108.8 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 108 | M50 P54 P96 I109 | M50-T52 PolarHBondContact O-N 3.36Å; T52-P54 VanDerWaalsContact O-CD 3.27Å; T52-P54 WeakPolarHBondContact O-CD 3.35Å; T52-P96 HydrophobicContact CG2-CG 4.15Å; T52-I109 WeakPolarHBondContact O-CD1 3.47Å | ||
| 53 | V | 97.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | trans | -92.2 | 109.1 | 178.8 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | V51 H57 C59 A93 F97 | V51-V53 HydrophobicContact CG1-CG2 4.23Å; V53-H57 HydrophobicContact CG1-CB 4.24Å; V53-H57 VanDerWaalsContact CG1-O 3.3Å; V53-H57 WeakPolarHBondContact CG1-O 3.41Å; V53-C59 HydrophobicContact CG2-CB 4.39Å; V53-A93 WeakPolarHBondContact O-CA 3.43Å; V53-F97 HydrophobicContact CG2-CE1 3.81Å; V53-F97 HydrophobicContact CG2-CZ 4.14Å | ||
| 54 | P | 96.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | trans | -70.3 | 164.4 | -180 | 27.3 | -30.9 | 0 | 0 | 0 | 111.6 | T52 R56 H57 I109 | T52-P54 VanDerWaalsContact O-CD 3.27Å; T52-P54 WeakPolarHBondContact O-CD 3.35Å; P54-R56 PolarHBondContact O-N 3.23Å; P54-H57 HydrophobicContact CG-CB 3.86Å; P54-H57 WeakPolarHBondContact O-CB 3.4Å; P54-H57 PolarHBondContact O-N 2.96Å; P54-I109 HydrophobicContact CG-CG2 3.98Å | ||
| 55 | P | 96.5 | Very high | 96.5 | Very high | 103 Ų | 103 | 47.4 Ų | 47.4 | 67% | 0.669 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 142.2 | 173.7 | -26.6 | 35.1 | 0 | 0 | 0 | 112.2 | H57 | P55-H57 PolarHBondContact O-N 2.87Å; P55-H57 PolarHBondContact O-ND1 2.85Å |
| 56 | R | 95.3 | Very high | 96.6 | Very high | 200 Ų | 200 | 46.1 Ų | 46.1 | 76% | 0.755 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 20.5 | -178.2 | -51.8 | 179.2 | -178.5 | 164.3 | -0 | 115 | P54 L112 | P54-R56 PolarHBondContact O-N 3.23Å; R56-L112 WeakPolarHBondContact O-CB 3.37Å; R56-L112 PolarHBondContact O-N 2.8Å |
| 57 | H | 97.9 | Very high | 96.5 | Very high | 56 Ų | 56 | 50 Ų | 50 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 166.4 | 171.7 | -64.5 | 66.2 | 0 | 0 | 0 | 110.1 | V53 P54 P55 I109 T110 P111 | V53-H57 HydrophobicContact CG1-CB 4.24Å; V53-H57 VanDerWaalsContact CG1-O 3.3Å; V53-H57 WeakPolarHBondContact CG1-O 3.41Å; P54-H57 HydrophobicContact CG-CB 3.86Å; P54-H57 WeakPolarHBondContact O-CB 3.4Å; P54-H57 PolarHBondContact O-N 2.96Å; P55-H57 PolarHBondContact O-N 2.87Å; P55-H57 PolarHBondContact O-ND1 2.85Å; H57-I109 HydrophobicContact CB-CG2 3.88Å; H57-T110 CarbonylContact C-O 3.6Å; H57-T110 VanDerWaalsContact CA-O 3.22Å; H57-T110 WeakPolarHBondContact CA-O 3.35Å; H57-T110 WeakPolarHBondContact CB-O 3.32Å; H57-P111 VanDerWaalsContact CD2-CA 3.5Å; H57-P111 WeakPolarHBondContact CD2-CA 3.23Å |
| 58 | Y | 98.1 | Very high | 96.4 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 162.8 | 173.4 | 78.1 | -76.9 | 0 | 0 | 0 | 110.3 | I90 R91 K107 T110 L112 P153 | Y58-I90 HydrophobicContact CD2-CG2 3.86Å; Y58-I90 HydrophobicContact CG-CG2 4.42Å; Y58-R91 CarbonylContact C-O 3.53Å; Y58-R91 WeakPolarHBondContact CA-O 3.25Å; Y58-K107 HydrophobicContact CE2-CD 4.27Å; Y58-K107 PolarHBondContact OH-NZ 3.11Å; Y58-T110 VanDerWaalsContact CD1-O 3.25Å; Y58-T110 WeakPolarHBondContact CD1-O 3.17Å; Y58-T110 HydrophobicContact CE1-CG2 3.72Å; Y58-T110 PolarHBondContact N-O 2.98Å; Y58-T110 PolarHBondContact O-N 2.91Å; Y58-L112 HydrophobicContact CD1-CD2 3.7Å; Y58-L112 HydrophobicContact CD1-CG 4.39Å; Y58-L112 HydrophobicContact CG-CD2 4.1Å; Y58-P153 HydrophobicContact CD1-CG 4.26Å; Y58-P153 HydrophobicContact CD2-CG 4.41Å; Y58-P153 HydrophobicContact CE1-CG 3.84Å; Y58-P153 HydrophobicContact CE2-CB 4.23Å; Y58-P153 HydrophobicContact CE2-CG 3.97Å |
| 59 | C | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 162 | 164.9 | 68.2 | 0 | 0 | 0 | 0 | 109.5 | V53 R91 L105 K107 | V53-C59 HydrophobicContact CG2-CB 4.39Å; C59-R91 PolarHBondContact N-O 3.32Å; C59-R91 PolarHBondContact O-N 3.26Å; C59-L105 HydrophobicContact CB-CD1 3.88Å; C59-K107 WeakPolarHBondContact CA-O 3.48Å; C59-K107 WeakPolarHBondContact CB-O 3.32Å |
| 60 | T | 97.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.8 | 175.4 | -52.9 | 0 | 0 | 0 | 0 | 109.2 | L88 E89 E106 K107 | T60-L88 HydrophobicContact CG2-CB 4.07Å; T60-L88 HydrophobicContact CG2-CD1 4.38Å; T60-L88 HydrophobicContact CG2-CD2 4.08Å; T60-L88 HydrophobicContact CG2-CG 4.4Å; T60-E89 WeakPolarHBondContact CA-O 3.22Å; T60-E106 HydrophobicContact CG2-CB 4.35Å; T60-E106 PolarHBondContact O-N 2.83Å; T60-K107 PolarHBondContact N-O 3.02Å; T60-K107 PolarHBondContact O-N 2.87Å; T60-K107 VanDerWaalsContact O-N 3.08Å |
| 61 | V | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.6 | 175.4 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | L88 E89 R91 F97 L99 E103 V104 L105 | V61-L88 CarbonylContact O-C 3.54Å; V61-L88 WeakPolarHBondContact O-CA 3.39Å; V61-E89 PolarHBondContact N-O 2.86Å; V61-E89 PolarHBondContact O-N 2.86Å; V61-R91 HydrophobicContact CG2-CG 4.46Å; V61-F97 HydrophobicContact CG2-CE2 4.4Å; V61-L99 HydrophobicContact CG1-CD2 4.27Å; V61-L99 HydrophobicContact CG2-CD2 4.18Å; V61-E103 HydrophobicContact CG1-CB 3.97Å; V61-E103 HydrophobicContact CG1-CG 4.08Å; V61-V104 CarbonylContact C-O 3.5Å; V61-V104 WeakPolarHBondContact CA-O 3.33Å; V61-L105 HydrophobicContact CG2-CD1 4.31Å |
| 62 | A | 97.5 | Very high | 95 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 146.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L88 E103 V104 E106 | A62-L88 HydrophobicContact CB-CD2 3.85Å; A62-E103 WeakPolarHBondContact O-CA 3.19Å; A62-V104 HydrophobicContact CB-CB 4.46Å; A62-V104 PolarHBondContact N-O 2.85Å; A62-V104 PolarHBondContact O-N 3.42Å; A62-E106 HydrophobicContact CB-CB 4.01Å |
| 63 | N | 96.6 | Very high | 94.8 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 54.5 | 50.2 | -174.3 | -51.6 | -55.6 | 0 | 0 | 0 | 113.4 | L83 R84 A86 D87 E103 | N63-L83 HydrophobicContact CB-CD1 4.21Å; N63-R84 WeakPolarHBondContact CA-O 3.2Å; N63-A86 PolarHBondContact OD1-N 2.88Å; N63-D87 PolarHBondContact N-O 2.94Å; N63-E103 WeakPolarHBondContact O-CG 3.42Å |
| 64 | P | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 148.3 | -172.8 | 29.5 | -37.9 | 0 | 0 | 0 | 112 | R84 D87 E89 E103 | P64-R84 HydrophobicContact CG-CB 4.24Å; P64-R84 PolarHBondContact O-N 2.98Å; P64-D87 WeakPolarHBondContact CD-O 3.46Å; P64-D87 HydrophobicContact CG-CB 4.47Å; P64-E89 HydrophobicContact CB-CB 3.49Å; P64-E89 VanDerWaalsContact CB-CB 3.49Å; P64-E89 HydrophobicContact CB-CG 4.33Å; P64-E89 WeakPolarHBondContact CB-OE2 3.07Å; P64-E89 HydrophobicContact CG-CB 3.7Å; P64-E103 WeakPolarHBondContact CA-OE1 3.23Å |
| 65 | V | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -57.2 | 141.7 | 173.9 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | R67 V73 V81 L83 Y100 E103 | V65-R67 HydrophobicContact CG2-CG 4.29Å; V65-V73 HydrophobicContact CB-CG1 4.19Å; V65-V73 HydrophobicContact CB-CG2 4.5Å; V65-V73 HydrophobicContact CG1-CG1 4.29Å; V65-V73 HydrophobicContact CG2-CG2 4.06Å; V65-V81 HydrophobicContact CB-CG1 4.21Å; V65-V81 HydrophobicContact CG1-CG1 3.45Å; V65-V81 VanDerWaalsContact CG1-CG1 3.45Å; V65-L83 HydrophobicContact CB-CD2 4.42Å; V65-L83 HydrophobicContact CG1-CD2 3.73Å; V65-Y100 HydrophobicContact CG1-CD1 4.35Å; V65-Y100 HydrophobicContact CG1-CD2 3.47Å; V65-Y100 VanDerWaalsContact CG1-CD2 3.47Å; V65-Y100 HydrophobicContact CG1-CE2 4.25Å; V65-Y100 HydrophobicContact CG1-CG 3.52Å; V65-Y100 HydrophobicContact CG2-CD2 4.37Å; V65-E103 HydrophobicContact CG1-CG 4.18Å; V65-E103 PolarHBondContact N-OE1 3.48Å |
| 66 | S | 94.4 | Very high | 94.1 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 12% | 0.119 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 131.7 | 168.8 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | L74 R82 | S66-L74 PolarHBondContact O-N 2.91Å; S66-R82 WeakPolarHBondContact CB-O 3.48Å; S66-R82 PolarHBondContact N-O 3.16Å; S66-R82 PolarHBondContact OG-O 2.87Å |
| 67 | R | 93.3 | Very high | 93.8 | Very high | 109 Ų | 109 | 54.3 Ų | 54.3 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -118.6 | 151 | 177.4 | -65.4 | 178 | 179.3 | -130.5 | 10.7 | 111 | V65 G71 L72 | V65-R67 HydrophobicContact CG2-CG 4.29Å; R67-G71 WeakPolarHBondContact CD-O 3.42Å; R67-G71 PolarHBondContact NH1-O 2.72Å; R67-L72 CarbonylContact C-O 3.51Å; R67-L72 WeakPolarHBondContact CA-O 3.27Å |
| 68 | D | 92.5 | Very high | 93.4 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | trans | -77.7 | -179.1 | 170.3 | 67.7 | 12.3 | 0 | 0 | 0 | 112 | Q70 G71 L72 L74 | D68-Q70 PolarHBondContact O-N 3.46Å; D68-Q70 VanDerWaalsContact OD1-C 3.28Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.38Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.39Å; D68-Q70 PolarHBondContact OD1-N 3.34Å; D68-G71 PolarHBondContact O-N 3Å; D68-G71 PolarHBondContact OD1-N 3.23Å; D68-L72 PolarHBondContact N-O 2.81Å; D68-L72 PolarHBondContact OD1-N 3.34Å; D68-L74 HydrophobicContact CB-CD2 4Å; D68-L74 HydrophobicContact CB-CG 4.46Å | ||
| 69 | A | 90.5 | Very high | 92.9 | Very high | 100 Ų | 100 | 56 Ų | 56 | 83% | 0.826 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -17.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 70 | Q | 89.8 | Confident | 92.5 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -1.8 | 177.1 | -65.4 | 73.2 | 26 | 0 | 0 | 112 | D68 L72 | D68-Q70 PolarHBondContact O-N 3.46Å; D68-Q70 VanDerWaalsContact OD1-C 3.28Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.38Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.39Å; D68-Q70 PolarHBondContact OD1-N 3.34Å; Q70-L72 VanDerWaalsContact C-N 3.35Å; Q70-L72 HydrophobicContact CB-CG 4.49Å |
| 71 | G | 85.7 | Confident | 92.4 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 81.2 | 10.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | R67 D68 | R67-G71 WeakPolarHBondContact CD-O 3.42Å; R67-G71 PolarHBondContact NH1-O 2.72Å; D68-G71 PolarHBondContact O-N 3Å; D68-G71 PolarHBondContact OD1-N 3.23Å |
| 72 | L | 89.2 | Confident | 92.2 | Very high | 114 Ų | 114 | 66.5 Ų | 66.5 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 145.3 | 176.3 | -61 | 172.3 | 0 | 0 | 0 | 110.8 | R67 D68 Q70 | R67-L72 CarbonylContact C-O 3.51Å; R67-L72 WeakPolarHBondContact CA-O 3.27Å; D68-L72 PolarHBondContact N-O 2.81Å; D68-L72 PolarHBondContact OD1-N 3.34Å; Q70-L72 VanDerWaalsContact C-N 3.35Å; Q70-L72 HydrophobicContact CB-CG 4.49Å |
| 73 | V | 93.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 67 Ų | 67 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -71.6 | 130.9 | -178.7 | 177 | 0 | 0 | 0 | 0 | 110.5 | V65 F75 V81 Y100 | V65-V73 HydrophobicContact CB-CG1 4.19Å; V65-V73 HydrophobicContact CB-CG2 4.5Å; V65-V73 HydrophobicContact CG1-CG1 4.29Å; V65-V73 HydrophobicContact CG2-CG2 4.06Å; V73-F75 HydrophobicContact CB-CE2 4.48Å; V73-F75 HydrophobicContact CG1-CE2 4.41Å; V73-F75 HydrophobicContact CG1-CZ 4.35Å; V73-F75 WeakPolarHBondContact O-CD2 3.41Å; V73-F75 WeakPolarHBondContact O-CE2 3.47Å; V73-V81 HydrophobicContact CG1-CG1 3.54Å; V73-Y100 HydrophobicContact CG1-CE1 4.23Å; V73-Y100 HydrophobicContact CG2-CE1 4.37Å; V73-Y100 HydrophobicContact CG2-CE2 4.01Å |
| 74 | L | 93.3 | Very high | 92 | Very high | 63 Ų | 63 | 69.2 Ų | 69.2 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -85 | 141.2 | 177.5 | -67 | 175.2 | 0 | 0 | 0 | 111.2 | S66 D68 R82 | S66-L74 PolarHBondContact O-N 2.91Å; D68-L74 HydrophobicContact CB-CD2 4Å; D68-L74 HydrophobicContact CB-CG 4.46Å; L74-R82 HydrophobicContact CB-CB 4.36Å; L74-R82 PolarHBondContact O-N 3.43Å |
| 75 | F | 92.7 | Very high | 91.8 | Very high | 118 Ų | 118 | 76 Ų | 76 | 52% | 0.518 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -116.4 | 152.5 | 175.2 | -60.9 | -91.5 | 0 | 0 | 0 | 110.2 | V73 G79 Q80 V81 | V73-F75 HydrophobicContact CB-CE2 4.48Å; V73-F75 HydrophobicContact CG1-CE2 4.41Å; V73-F75 HydrophobicContact CG1-CZ 4.35Å; V73-F75 WeakPolarHBondContact O-CD2 3.41Å; V73-F75 WeakPolarHBondContact O-CE2 3.47Å; F75-G79 WeakPolarHBondContact CD1-O 3.35Å; F75-Q80 CarbonylContact C-O 3.51Å; F75-Q80 VanDerWaalsContact CA-O 3.27Å; F75-Q80 WeakPolarHBondContact CA-O 3.32Å; F75-V81 HydrophobicContact CD1-CG2 3.95Å; F75-V81 HydrophobicContact CE1-CG2 3.53Å; F75-V81 HydrophobicContact CZ-CG2 4.42Å |
| 76 | D | 90 | Very high | 91.7 | Very high | 65 Ų | 65 | 80.9 Ų | 80.9 | 35% | 0.348 | 44% | 0.442 | S | S | . | . | trans | -81.3 | -177.6 | 172.6 | 73.9 | 11.3 | 0 | 0 | 0 | 112.1 | T78 G79 Q80 | D76-T78 VanDerWaalsContact CG-OG1 3.27Å; D76-T78 PolarHBondContact O-N 2.79Å; D76-T78 VanDerWaalsContact OD1-CA 3.31Å; D76-T78 WeakPolarHBondContact OD1-CA 3.48Å; D76-T78 WeakPolarHBondContact OD1-CB 3.38Å; D76-T78 PolarHBondContact OD1-N 2.96Å; D76-T78 PolarHBondContact OD1-OG1 2.86Å; D76-T78 PolarHBondContact OD2-OG1 2.96Å; D76-G79 PolarHBondContact O-N 2.85Å; D76-G79 VanDerWaalsContact O-N 3.08Å; D76-G79 PolarHBondContact OD1-N 3.23Å; D76-Q80 PolarHBondContact N-O 2.99Å; D76-Q80 PolarHBondContact OD1-N 3.05Å | ||
| 77 | V | 90.4 | Very high | 91.7 | Very high | 155 Ų | 155 | 81.9 Ų | 81.9 | 94% | 0.939 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.2 | 179.7 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 78 | T | 88.3 | Confident | 91.7 | Very high | 79 Ų | 79 | 79.8 Ų | 79.8 | 49% | 0.485 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -12.3 | 177.9 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | V25 D76 | V25-T78 VanDerWaalsContact CG2-O 3.3Å; V25-T78 WeakPolarHBondContact CG2-O 3.32Å; D76-T78 VanDerWaalsContact CG-OG1 3.27Å; D76-T78 PolarHBondContact O-N 2.79Å; D76-T78 VanDerWaalsContact OD1-CA 3.31Å; D76-T78 WeakPolarHBondContact OD1-CA 3.48Å; D76-T78 WeakPolarHBondContact OD1-CB 3.38Å; D76-T78 PolarHBondContact OD1-N 2.96Å; D76-T78 PolarHBondContact OD1-OG1 2.86Å; D76-T78 PolarHBondContact OD2-OG1 2.96Å |
| 79 | G | 86.8 | Confident | 91.9 | Very high | 34 Ų | 34 | 79.3 Ų | 79.3 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 89.5 | 10 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F75 D76 | F75-G79 WeakPolarHBondContact CD1-O 3.35Å; D76-G79 PolarHBondContact O-N 2.85Å; D76-G79 VanDerWaalsContact O-N 3.08Å; D76-G79 PolarHBondContact OD1-N 3.23Å |
| 80 | Q | 90.8 | Very high | 92.2 | Very high | 69 Ų | 69 | 76.4 Ų | 76.4 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 145.3 | 172.8 | -173 | 157.3 | 8.7 | 0 | 0 | 110.7 | V25 F75 D76 R82 | V25-Q80 HydrophobicContact CG1-CB 4.21Å; F75-Q80 CarbonylContact C-O 3.51Å; F75-Q80 VanDerWaalsContact CA-O 3.27Å; F75-Q80 WeakPolarHBondContact CA-O 3.32Å; D76-Q80 PolarHBondContact N-O 2.99Å; D76-Q80 PolarHBondContact OD1-N 3.05Å; Q80-R82 PolarHBondContact O-N 2.79Å |
| 81 | V | 93.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 129.7 | -178.2 | -179 | 0 | 0 | 0 | 0 | 109.7 | V65 V73 F75 L83 Y100 | V65-V81 HydrophobicContact CB-CG1 4.21Å; V65-V81 HydrophobicContact CG1-CG1 3.45Å; V65-V81 VanDerWaalsContact CG1-CG1 3.45Å; V73-V81 HydrophobicContact CG1-CG1 3.54Å; F75-V81 HydrophobicContact CD1-CG2 3.95Å; F75-V81 HydrophobicContact CE1-CG2 3.53Å; F75-V81 HydrophobicContact CZ-CG2 4.42Å; V81-L83 HydrophobicContact CG1-CD2 4.11Å; V81-Y100 HydrophobicContact CB-CD1 4.4Å; V81-Y100 HydrophobicContact CG1-CD1 4.03Å; V81-Y100 HydrophobicContact CG1-CG 4.22Å; V81-Y100 HydrophobicContact CG2-CD1 3.64Å; V81-Y100 HydrophobicContact CG2-CE1 4.27Å; V81-Y100 HydrophobicContact CG2-CG 4.49Å |
| 82 | R | 94.9 | Very high | 93.1 | Very high | 155 Ų | 155 | 71.6 Ų | 71.6 | 59% | 0.585 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 121.4 | 179.8 | -167.4 | 177.2 | -175.9 | 178.3 | 0.8 | 110.2 | S66 L74 Q80 | S66-R82 WeakPolarHBondContact CB-O 3.48Å; S66-R82 PolarHBondContact N-O 3.16Å; S66-R82 PolarHBondContact OG-O 2.87Å; L74-R82 HydrophobicContact CB-CB 4.36Å; L74-R82 PolarHBondContact O-N 3.43Å; Q80-R82 PolarHBondContact O-N 2.79Å |
| 83 | L | 95.4 | Very high | 93.4 | Very high | 21 Ų | 21 | 68.7 Ų | 68.7 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -103.7 | 153 | 178.5 | -53 | -178.3 | 0 | 0 | 0 | 111.8 | N63 V65 V81 H85 E103 | N63-L83 HydrophobicContact CB-CD1 4.21Å; V65-L83 HydrophobicContact CB-CD2 4.42Å; V65-L83 HydrophobicContact CG1-CD2 3.73Å; V81-L83 HydrophobicContact CG1-CD2 4.11Å; L83-H85 PolarHBondContact O-N 2.72Å; L83-E103 HydrophobicContact CD2-CG 4.18Å |
| 84 | R | 94.8 | Very high | 93.5 | Very high | 86 Ų | 86 | 71.5 Ų | 71.5 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | trans | -87 | 88.7 | 163.2 | -65.6 | -175.8 | -74.4 | 158.6 | -13.6 | 108.2 | N63 P64 D87 E89 | N63-R84 WeakPolarHBondContact CA-O 3.2Å; P64-R84 HydrophobicContact CG-CB 4.24Å; P64-R84 PolarHBondContact O-N 2.98Å; R84-D87 HydrophobicContact CB-CB 3.83Å; R84-D87 IonicContact CZ-OD2 3.53Å; R84-D87 IonicContact NE-OD2 3.96Å; R84-D87 IonicContact NH1-OD2 3.85Å; R84-D87 PolarHBondContact NH1-OD2 3.29Å; R84-D87 WeakPolarHBondContact O-CB 3.4Å; R84-D87 PolarHBondContact O-N 3.19Å; R84-E89 IonicContact NH2-OE1 3.26Å; R84-E89 PolarHBondContact NH2-OE1 2.79Å | ||
| 85 | H | 92.9 | Very high | 93.6 | Very high | 144 Ų | 144 | 75.3 Ų | 75.3 | 67% | 0.667 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 140.4 | -177 | -67.1 | -73.2 | 0 | 0 | 0 | 112 | L83 D87 | L83-H85 PolarHBondContact O-N 2.72Å; H85-D87 PolarHBondContact O-N 3.36Å |
| 86 | A | 92.5 | Very high | 93.8 | Very high | 102 Ų | 102 | 71.4 Ų | 71.4 | 84% | 0.843 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 22.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N63 | N63-A86 PolarHBondContact OD1-N 2.88Š|
| 87 | D | 94.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 69 Ų | 69 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | trans | -108.8 | 160.6 | 173.6 | -162.2 | 11.5 | 0 | 0 | 0 | 110.7 | N63 P64 R84 H85 K155 | N63-D87 PolarHBondContact N-O 2.94Å; P64-D87 WeakPolarHBondContact CD-O 3.46Å; P64-D87 HydrophobicContact CG-CB 4.47Å; R84-D87 HydrophobicContact CB-CB 3.83Å; R84-D87 IonicContact CZ-OD2 3.53Å; R84-D87 IonicContact NE-OD2 3.96Å; R84-D87 IonicContact NH1-OD2 3.85Å; R84-D87 PolarHBondContact NH1-OD2 3.29Å; R84-D87 WeakPolarHBondContact O-CB 3.4Å; R84-D87 PolarHBondContact O-N 3.19Å; H85-D87 PolarHBondContact O-N 3.36Å; D87-K155 IonicContact OD1-NZ 3.46Å; D87-K155 PolarHBondContact OD1-NZ 2.9Å; D87-K155 IonicContact OD2-NZ 3.53Å; D87-K155 PolarHBondContact OD2-NZ 2.77Å | ||
| 88 | L | 95 | Very high | 94.4 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 34% | 0.335 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 149.7 | 175.3 | -61.9 | 177.7 | 0 | 0 | 0 | 110.1 | T60 V61 A62 E106 K155 | T60-L88 HydrophobicContact CG2-CB 4.07Å; T60-L88 HydrophobicContact CG2-CD1 4.38Å; T60-L88 HydrophobicContact CG2-CD2 4.08Å; T60-L88 HydrophobicContact CG2-CG 4.4Å; V61-L88 CarbonylContact O-C 3.54Å; V61-L88 WeakPolarHBondContact O-CA 3.39Å; A62-L88 HydrophobicContact CB-CD2 3.85Å; L88-E106 HydrophobicContact CD2-CG 4.28Å; L88-K155 HydrophobicContact CB-CB 4.01Å; L88-K155 HydrophobicContact CB-CD 4.31Å; L88-K155 WeakPolarHBondContact O-CD 3.27Å |
| 89 | E | 95.9 | Very high | 94.8 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.6 | 171.4 | -178.6 | 174.6 | -117.6 | 0 | 0 | 110.2 | T60 V61 P64 R84 R91 | T60-E89 WeakPolarHBondContact CA-O 3.22Å; V61-E89 PolarHBondContact N-O 2.86Å; V61-E89 PolarHBondContact O-N 2.86Å; P64-E89 HydrophobicContact CB-CB 3.49Å; P64-E89 VanDerWaalsContact CB-CB 3.49Å; P64-E89 HydrophobicContact CB-CG 4.33Å; P64-E89 WeakPolarHBondContact CB-OE2 3.07Å; P64-E89 HydrophobicContact CG-CB 3.7Å; R84-E89 IonicContact NH2-OE1 3.26Å; R84-E89 PolarHBondContact NH2-OE1 2.79Å; E89-R91 HydrophobicContact CG-CG 4.2Å; E89-R91 IonicContact OE2-CZ 3.82Å; E89-R91 VanDerWaalsContact OE2-CZ 3.3Å; E89-R91 IonicContact OE2-NE 3.42Å; E89-R91 PolarHBondContact OE2-NE 3.45Å; E89-R91 IonicContact OE2-NH2 3.93Å; E89-R91 PolarHBondContact OE2-NH2 2.81Å |
| 90 | I | 96.5 | Very high | 95.3 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 21% | 0.205 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.8 | 176.2 | -67.4 | 165.7 | 0 | 0 | 0 | 107.6 | Y58 P153 R154 | Y58-I90 HydrophobicContact CD2-CG2 3.86Å; Y58-I90 HydrophobicContact CG-CG2 4.42Å; I90-P153 VanDerWaalsContact CD1-C 3.41Å; I90-P153 HydrophobicContact CD1-CB 4.04Å; I90-P153 WeakPolarHBondContact CD1-O 3.41Å; I90-R154 VanDerWaalsContact CD1-CA 3.5Å |
| 91 | R | 96.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 4% | 0.038 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.2 | -179.6 | -71.1 | -175 | -179.5 | 170.2 | 11 | 109.5 | Y58 C59 V61 E89 F97 E103 | Y58-R91 CarbonylContact C-O 3.53Å; Y58-R91 WeakPolarHBondContact CA-O 3.25Å; C59-R91 PolarHBondContact N-O 3.32Å; C59-R91 PolarHBondContact O-N 3.26Å; V61-R91 HydrophobicContact CG2-CG 4.46Å; E89-R91 HydrophobicContact CG-CG 4.2Å; E89-R91 IonicContact OE2-CZ 3.82Å; E89-R91 VanDerWaalsContact OE2-CZ 3.3Å; E89-R91 IonicContact OE2-NE 3.42Å; E89-R91 PolarHBondContact OE2-NE 3.45Å; E89-R91 IonicContact OE2-NH2 3.93Å; E89-R91 PolarHBondContact OE2-NH2 2.81Å; R91-F97 HydrophobicContact CB-CE1 4.42Å; R91-F97 HydrophobicContact CB-CZ 4.2Å; R91-F97 VanDerWaalsContact CD-CZ 3.41Å; R91-F97 HydrophobicContact CG-CZ 4.42Å; R91-E103 IonicContact CZ-OE1 2.8Å; R91-E103 IonicContact NH1-OE1 3.81Å; R91-E103 IonicContact NH1-OE2 2.98Å; R91-E103 IonicContact NH2-OE1 2.52Å; R91-E103 PolarHBondContact NH2-OE1 2.95Å; R91-E103 IonicContact NH2-OE2 3.53Å |
| 92 | L | 97.2 | Very high | 95.5 | Very high | 69 Ų | 69 | 59.1 Ų | 59.1 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | trans | -86.2 | -173 | 174.8 | -58.3 | 174.4 | 0 | 0 | 0 | 110.6 | Q94 L112 I152 | L92-Q94 PolarHBondContact O-N 2.9Å; L92-L112 HydrophobicContact CD2-CD1 4.35Å; L92-L112 HydrophobicContact CD2-CD2 4.01Å; L92-I152 HydrophobicContact CD1-CD1 4.42Å; L92-I152 HydrophobicContact CD1-CG2 4.27Å; L92-I152 HydrophobicContact CD2-CG2 4.14Å | ||
| 93 | A | 96.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 52.3 Ų | 52.3 | 44% | 0.438 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -56.4 | 122.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V53 | V53-A93 WeakPolarHBondContact O-CA 3.43Š|
| 94 | Q | 95.4 | Very high | 95.7 | Very high | 83 Ų | 83 | 55 Ų | 55 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | trans | -158.4 | 175.3 | 179.9 | 63.4 | -177.2 | -35.8 | 0 | 0 | 109.5 | L92 F97 | L92-Q94 PolarHBondContact O-N 2.9Å; Q94-F97 HydrophobicContact CG-CD1 3.81Å; Q94-F97 HydrophobicContact CG-CE1 3.98Å; Q94-F97 VanDerWaalsContact NE2-CE1 3.26Å | ||
| 95 | D | 94.6 | Very high | 95.7 | Very high | 142 Ų | 142 | 53.3 Ų | 53.3 | 76% | 0.759 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -58.1 | 147 | 174.7 | -70 | -33.1 | 0 | 0 | 0 | 111.5 | F97 | D95-F97 PolarHBondContact O-N 2.93Š|
| 96 | P | 96.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | trans | -53.2 | 127.1 | 179.1 | -25.8 | 33.6 | 0 | 0 | 0 | 111.6 | Y13 M50 V51 T52 | Y13-P96 HydrophobicContact CD1-CB 3.83Å; Y13-P96 HydrophobicContact CD1-CG 3.76Å; Y13-P96 HydrophobicContact CE1-CB 4.47Å; Y13-P96 HydrophobicContact CE1-CG 3.99Å; M50-P96 HydrophobicContact CB-CB 3.94Å; M50-P96 HydrophobicContact SD-CB 4.27Å; V51-P96 WeakPolarHBondContact O-CA 3.29Å; T52-P96 HydrophobicContact CG2-CG 4.15Å | ||
| 97 | F | 96.4 | Very high | 96 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -119.8 | 144.7 | -175.9 | 58.3 | -92.4 | 0 | 0 | 0 | 111.4 | M50 V51 V53 V61 R91 Q94 D95 L99 | M50-F97 WeakPolarHBondContact CB-O 3.33Å; V51-F97 HydrophobicContact CB-CD2 4.12Å; V51-F97 HydrophobicContact CB-CE1 4.23Å; V51-F97 HydrophobicContact CB-CE2 3.61Å; V51-F97 HydrophobicContact CB-CZ 3.68Å; V51-F97 HydrophobicContact CG1-CE1 4.15Å; V51-F97 HydrophobicContact CG1-CE2 3.95Å; V51-F97 HydrophobicContact CG1-CZ 3.55Å; V51-F97 HydrophobicContact CG2-CE2 4.1Å; V51-F97 PolarHBondContact N-O 3.46Å; V51-F97 PolarHBondContact O-N 2.75Å; V53-F97 HydrophobicContact CG2-CE1 3.81Å; V53-F97 HydrophobicContact CG2-CZ 4.14Å; V61-F97 HydrophobicContact CG2-CE2 4.4Å; R91-F97 HydrophobicContact CB-CE1 4.42Å; R91-F97 HydrophobicContact CB-CZ 4.2Å; R91-F97 VanDerWaalsContact CD-CZ 3.41Å; R91-F97 HydrophobicContact CG-CZ 4.42Å; Q94-F97 HydrophobicContact CG-CD1 3.81Å; Q94-F97 HydrophobicContact CG-CE1 3.98Å; Q94-F97 VanDerWaalsContact NE2-CE1 3.26Å; D95-F97 PolarHBondContact O-N 2.93Å; F97-L99 HydrophobicContact CE2-CD2 4.19Å |
| 98 | P | 96.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 55 Ų | 55 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -77 | 158.1 | 168.3 | 34.9 | -34.7 | 0 | 0 | 0 | 110.4 | Y15 V28 V30 M50 | Y15-P98 HydrophobicContact CD1-CB 3.67Å; Y15-P98 HydrophobicContact CD2-CB 3.88Å; Y15-P98 HydrophobicContact CE1-CB 4.18Å; Y15-P98 HydrophobicContact CE2-CB 4.35Å; Y15-P98 HydrophobicContact CG-CB 3.5Å; Y15-P98 VanDerWaalsContact CG-CB 3.5Å; V28-P98 HydrophobicContact CG2-CB 3.86Å; V28-P98 HydrophobicContact CG2-CG 4.18Å; V30-P98 HydrophobicContact CG2-CB 4.36Å; V30-P98 HydrophobicContact CG2-CG 3.92Å; M50-P98 HydrophobicContact CE-CB 4.13Å; M50-P98 HydrophobicContact CE-CG 4.18Å; M50-P98 HydrophobicContact CG-CB 4.4Å |
| 99 | L | 96.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 131.6 | 162.3 | -59.5 | 174 | 0 | 0 | 0 | 108.4 | Y15 H17 V51 V61 F97 E103 L105 | Y15-L99 HydrophobicContact CE2-CB 4.5Å; Y15-L99 VanDerWaalsContact CE2-O 3.31Å; Y15-L99 WeakPolarHBondContact CE2-O 3.36Å; H17-L99 PolarHBondContact CE1-O 3.24Å; H17-L99 PolarHBondContact NE2-O 3.01Å; V51-L99 HydrophobicContact CG2-CD1 4.39Å; V51-L99 HydrophobicContact CG2-CD2 4.23Å; V51-L99 HydrophobicContact CG2-CG 4.14Å; V61-L99 HydrophobicContact CG1-CD2 4.27Å; V61-L99 HydrophobicContact CG2-CD2 4.18Å; F97-L99 HydrophobicContact CE2-CD2 4.19Å; L99-E103 WeakPolarHBondContact CA-OE2 3.48Å; L99-E103 HydrophobicContact CB-CB 4.15Å; L99-E103 HydrophobicContact CD2-CB 4.36Å; L99-L105 HydrophobicContact CD1-CB 4.02Å |
| 100 | Y | 96.5 | Very high | 96.2 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 160.6 | 175.3 | -74.6 | -94.5 | 0 | 0 | 0 | 111.3 | V28 V65 V73 V81 G102 E103 | V28-Y100 HydrophobicContact CB-CD1 4.31Å; V28-Y100 HydrophobicContact CG1-CD1 3.5Å; V28-Y100 HydrophobicContact CG1-CE1 3.36Å; V28-Y100 HydrophobicContact CG1-CG 4.39Å; V65-Y100 HydrophobicContact CG1-CD1 4.35Å; V65-Y100 HydrophobicContact CG1-CD2 3.47Å; V65-Y100 VanDerWaalsContact CG1-CD2 3.47Å; V65-Y100 HydrophobicContact CG1-CE2 4.25Å; V65-Y100 HydrophobicContact CG1-CG 3.52Å; V65-Y100 HydrophobicContact CG2-CD2 4.37Å; V73-Y100 HydrophobicContact CG1-CE1 4.23Å; V73-Y100 HydrophobicContact CG2-CE1 4.37Å; V73-Y100 HydrophobicContact CG2-CE2 4.01Å; V81-Y100 HydrophobicContact CB-CD1 4.4Å; V81-Y100 HydrophobicContact CG1-CD1 4.03Å; V81-Y100 HydrophobicContact CG1-CG 4.22Å; V81-Y100 HydrophobicContact CG2-CD1 3.64Å; V81-Y100 HydrophobicContact CG2-CE1 4.27Å; V81-Y100 HydrophobicContact CG2-CG 4.49Å; Y100-G102 PolarHBondContact O-N 3.2Å; Y100-G102 VanDerWaalsContact O-N 3.07Å; Y100-E103 PolarHBondContact N-OE2 3.13Å; Y100-E103 WeakPolarHBondContact O-CB 3.48Å; Y100-E103 PolarHBondContact O-N 3.48Å |
| 101 | P | 95.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 117.6 | 175.8 | -26.8 | 35.6 | 0 | 0 | 0 | 111.6 | H17 | H17-P101 VanDerWaalsContact CE1-CA 3.49Å; H17-P101 WeakPolarHBondContact CE1-CA 3.43Å |
| 102 | G | 94.3 | Very high | 96.2 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | -15.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y100 | Y100-G102 PolarHBondContact O-N 3.2Å; Y100-G102 VanDerWaalsContact O-N 3.07Å |
| 103 | E | 97.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | trans | -69.7 | 140.5 | 165.5 | -73.2 | -170.5 | 140.6 | 0 | 0 | 110.1 | V61 A62 N63 P64 V65 L83 R91 L99 Y100 | V61-E103 HydrophobicContact CG1-CB 3.97Å; V61-E103 HydrophobicContact CG1-CG 4.08Å; A62-E103 WeakPolarHBondContact O-CA 3.19Å; N63-E103 WeakPolarHBondContact O-CG 3.42Å; P64-E103 WeakPolarHBondContact CA-OE1 3.23Å; V65-E103 HydrophobicContact CG1-CG 4.18Å; V65-E103 PolarHBondContact N-OE1 3.48Å; L83-E103 HydrophobicContact CD2-CG 4.18Å; R91-E103 IonicContact CZ-OE1 2.8Å; R91-E103 IonicContact NH1-OE1 3.81Å; R91-E103 IonicContact NH1-OE2 2.98Å; R91-E103 IonicContact NH2-OE1 2.52Å; R91-E103 PolarHBondContact NH2-OE1 2.95Å; R91-E103 IonicContact NH2-OE2 3.53Å; L99-E103 WeakPolarHBondContact CA-OE2 3.48Å; L99-E103 HydrophobicContact CB-CB 4.15Å; L99-E103 HydrophobicContact CD2-CB 4.36Å; Y100-E103 PolarHBondContact N-OE2 3.13Å; Y100-E103 WeakPolarHBondContact O-CB 3.48Å; Y100-E103 PolarHBondContact O-N 3.48Å | ||
| 104 | V | 95.9 | Very high | 96.2 | Very high | 76 Ų | 76 | 59.3 Ų | 59.3 | 46% | 0.461 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.9 | 176.7 | -178 | 0 | 0 | 0 | 0 | 108.8 | V61 A62 E106 | V61-V104 CarbonylContact C-O 3.5Å; V61-V104 WeakPolarHBondContact CA-O 3.33Å; A62-V104 HydrophobicContact CB-CB 4.46Å; A62-V104 PolarHBondContact N-O 2.85Å; A62-V104 PolarHBondContact O-N 3.42Å; V104-E106 PolarHBondContact O-N 3.12Å; V104-E106 VanDerWaalsContact O-N 3.09Å |
| 105 | L | 96.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 95.1 | 171.2 | -170.3 | 66 | 0 | 0 | 0 | 108.5 | V51 C59 V61 L99 | V51-L105 HydrophobicContact CG1-CD1 4.41Å; V51-L105 HydrophobicContact CG2-CD2 4.36Å; C59-L105 HydrophobicContact CB-CD1 3.88Å; V61-L105 HydrophobicContact CG2-CD1 4.31Å; L99-L105 HydrophobicContact CD1-CB 4.02Å |
| 106 | E | 95.8 | Very high | 96.4 | Very high | 125 Ų | 125 | 53.9 Ų | 53.9 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -46.3 | -177.6 | -173.8 | 65.6 | -160.8 | 0 | 0 | 111.2 | T60 A62 L88 V104 | T60-E106 HydrophobicContact CG2-CB 4.35Å; T60-E106 PolarHBondContact O-N 2.83Å; A62-E106 HydrophobicContact CB-CB 4.01Å; L88-E106 HydrophobicContact CD2-CG 4.28Å; V104-E106 PolarHBondContact O-N 3.12Å; V104-E106 VanDerWaalsContact O-N 3.09Å |
| 107 | K | 95.3 | Very high | 96.4 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.2 | 175.9 | -166.2 | 175.3 | -173.8 | 176.4 | 0 | 109.2 | Y58 C59 T60 T110 | Y58-K107 HydrophobicContact CE2-CD 4.27Å; Y58-K107 PolarHBondContact OH-NZ 3.11Å; C59-K107 WeakPolarHBondContact CA-O 3.48Å; C59-K107 WeakPolarHBondContact CB-O 3.32Å; T60-K107 PolarHBondContact N-O 3.02Å; T60-K107 PolarHBondContact O-N 2.87Å; T60-K107 VanDerWaalsContact O-N 3.08Å; K107-T110 WeakPolarHBondContact CE-OG1 3.47Å |
| 108 | D | 96 | Very high | 96.3 | Very high | 106 Ų | 106 | 59.9 Ų | 59.9 | 57% | 0.567 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 172.4 | 176.7 | -156.7 | -0.2 | 0 | 0 | 0 | 111.5 | T110 | D108-T110 PolarHBondContact O-N 3.47Å; D108-T110 PolarHBondContact O-OG1 2.73Å |
| 109 | I | 96.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 35% | 0.349 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 113.3 | -176.2 | -60.1 | 161.5 | 0 | 0 | 0 | 110.3 | T52 P54 H57 | T52-I109 WeakPolarHBondContact O-CD1 3.47Å; P54-I109 HydrophobicContact CG-CG2 3.98Å; H57-I109 HydrophobicContact CB-CG2 3.88Å |
| 110 | T | 96.8 | Very high | 96.4 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.4 | -175.8 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | H57 Y58 K107 D108 | H57-T110 CarbonylContact C-O 3.6Å; H57-T110 VanDerWaalsContact CA-O 3.22Å; H57-T110 WeakPolarHBondContact CA-O 3.35Å; H57-T110 WeakPolarHBondContact CB-O 3.32Å; Y58-T110 VanDerWaalsContact CD1-O 3.25Å; Y58-T110 WeakPolarHBondContact CD1-O 3.17Å; Y58-T110 HydrophobicContact CE1-CG2 3.72Å; Y58-T110 PolarHBondContact N-O 2.98Å; Y58-T110 PolarHBondContact O-N 2.91Å; K107-T110 WeakPolarHBondContact CE-OG1 3.47Å; D108-T110 PolarHBondContact O-N 3.47Å; D108-T110 PolarHBondContact O-OG1 2.73Å |
| 111 | P | 97.4 | Very high | 96.4 | Very high | 79 Ų | 79 | 57 Ų | 57 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 143.4 | 174.4 | 26.9 | -34.5 | 0 | 0 | 0 | 111 | H57 | H57-P111 VanDerWaalsContact CD2-CA 3.5Å; H57-P111 WeakPolarHBondContact CD2-CA 3.23Å |
| 112 | L | 96.7 | Very high | 96.5 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | trans | -65.2 | 141.9 | 171.2 | -69.6 | 172.7 | 0 | 0 | 0 | 109.9 | R56 Y58 L92 V114 T150 P153 | R56-L112 WeakPolarHBondContact O-CB 3.37Å; R56-L112 PolarHBondContact O-N 2.8Å; Y58-L112 HydrophobicContact CD1-CD2 3.7Å; Y58-L112 HydrophobicContact CD1-CG 4.39Å; Y58-L112 HydrophobicContact CG-CD2 4.1Å; L92-L112 HydrophobicContact CD2-CD1 4.35Å; L92-L112 HydrophobicContact CD2-CD2 4.01Å; L112-V114 PolarHBondContact O-N 2.86Å; L112-T150 HydrophobicContact CB-CG2 3.46Å; L112-T150 VanDerWaalsContact CB-CG2 3.46Å; L112-T150 HydrophobicContact CD1-CG2 3.88Å; L112-T150 HydrophobicContact CG-CG2 4.28Å; L112-P153 HydrophobicContact CD2-CG 4.5Å | ||
| 113 | Q | 96 | Very high | 96.6 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.2 | -177.7 | -173.5 | 164.6 | -1.8 | 0 | 0 | 110.2 | L121 Y151 | Q113-L121 HydrophobicContact CG-CD1 4.3Å; Q113-L121 HydrophobicContact CG-CD2 4.46Å; Q113-Y151 PolarHBondContact O-N 2.94Å |
| 114 | V | 96.8 | Very high | 96.6 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.3 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | L112 | L112-V114 PolarHBondContact O-N 2.86Å |
| 115 | V | 97.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.5 | 179.5 | -170.6 | 0 | 0 | 0 | 0 | 107.6 | L121 F145 P148 G149 | V115-L121 HydrophobicContact CG1-CG 4.4Å; V115-L121 HydrophobicContact CG2-CD1 3.59Å; V115-L121 HydrophobicContact CG2-CD2 4.01Å; V115-L121 HydrophobicContact CG2-CG 3.58Å; V115-F145 HydrophobicContact CB-CD1 4.2Å; V115-F145 HydrophobicContact CB-CE1 4.07Å; V115-F145 HydrophobicContact CG1-CD1 4.44Å; V115-F145 HydrophobicContact CG2-CD1 3.72Å; V115-F145 HydrophobicContact CG2-CE1 3.73Å; V115-P148 WeakPolarHBondContact O-CA 3.49Å; V115-G149 PolarHBondContact N-O 3.27Å; V115-G149 PolarHBondContact O-N 2.71Å; V115-G149 VanDerWaalsContact O-N 3.07Å |
| 116 | L | 96.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 56.3 Ų | 56.3 | 56% | 0.56 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 160.8 | -173.1 | -61.2 | 177.6 | 0 | 0 | 0 | 110.9 | T119 | L116-T119 HydrophobicContact CB-CG2 4.3Å; L116-T119 PolarHBondContact N-OG1 2.83Å; L116-T119 PolarHBondContact O-N 2.85Å; L116-T119 PolarHBondContact O-OG1 2.85Å |
| 117 | P | 96.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 147.4 | 167.7 | -19.9 | 30.1 | 0 | 0 | 0 | 110.9 | T119 P148 | P117-T119 PolarHBondContact O-N 2.82Å; P117-P148 HydrophobicContact CG-CB 4.09Å; P117-P148 HydrophobicContact CG-CG 4.49Å |
| 118 | N | 95.4 | Very high | 96.5 | Very high | 99 Ų | 99 | 55.4 Ų | 55.4 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 22.5 | -177.6 | -56.2 | -31.1 | 0 | 0 | 0 | 114 | A165 A203 | N118-A165 HydrophobicContact CB-CB 3.85Å; N118-A165 VanDerWaalsContact O-CB 3.32Å; N118-A165 WeakPolarHBondContact O-CB 3.48Å; N118-A165 PolarHBondContact O-N 2.84Å; N118-A203 HydrophobicContact CB-CB 4.37Å |
| 119 | T | 97.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 153.8 | 170.6 | 68.6 | 0 | 0 | 0 | 0 | 109.9 | L116 P117 G147 I163 Q164 | L116-T119 HydrophobicContact CB-CG2 4.3Å; L116-T119 PolarHBondContact N-OG1 2.83Å; L116-T119 PolarHBondContact O-N 2.85Å; L116-T119 PolarHBondContact O-OG1 2.85Å; P117-T119 PolarHBondContact O-N 2.82Å; T119-G147 PolarHBondContact O-N 3.11Å; T119-I163 CarbonylContact C-O 3.54Å; T119-I163 WeakPolarHBondContact CA-O 3.22Å; T119-I163 WeakPolarHBondContact CB-O 3.25Å; T119-Q164 HydrophobicContact CG2-CG 4.24Å |
| 120 | A | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 155.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L144 F145 E146 I162 I163 L205 | A120-L144 HydrophobicContact CB-CB 4.15Å; A120-L144 HydrophobicContact CB-CD1 4.24Å; A120-L144 HydrophobicContact CB-CD2 4.43Å; A120-L144 HydrophobicContact CB-CG 4.48Å; A120-F145 CarbonylContact C-O 3.55Å; A120-F145 VanDerWaalsContact CA-O 3.22Å; A120-F145 WeakPolarHBondContact CA-O 3.13Å; A120-F145 WeakPolarHBondContact CB-O 3.37Å; A120-E146 HydrophobicContact CB-CG 4.35Å; A120-I162 CarbonylContact O-C 3.55Å; A120-I162 WeakPolarHBondContact O-CA 3.37Å; A120-I163 PolarHBondContact N-O 2.86Å; A120-I163 PolarHBondContact O-N 3.35Å; A120-L205 HydrophobicContact CB-CD1 4.21Å; A120-L205 HydrophobicContact CB-CD2 3.98Å; A120-L205 HydrophobicContact CB-CG 4.45Å |
| 121 | L | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.1 | 164.6 | -54.2 | -178 | 0 | 0 | 0 | 108.8 | Q113 V115 L123 L144 F145 Y151 V159 I162 | Q113-L121 HydrophobicContact CG-CD1 4.3Å; Q113-L121 HydrophobicContact CG-CD2 4.46Å; V115-L121 HydrophobicContact CG1-CG 4.4Å; V115-L121 HydrophobicContact CG2-CD1 3.59Å; V115-L121 HydrophobicContact CG2-CD2 4.01Å; V115-L121 HydrophobicContact CG2-CG 3.58Å; L121-L123 HydrophobicContact CB-CD2 3.91Å; L121-L123 HydrophobicContact CB-CG 4.26Å; L121-L123 PolarHBondContact O-N 2.82Å; L121-L144 WeakPolarHBondContact O-CA 3.37Å; L121-F145 HydrophobicContact CB-CB 4.3Å; L121-F145 HydrophobicContact CD1-CD1 4.49Å; L121-F145 PolarHBondContact N-O 2.93Å; L121-F145 PolarHBondContact O-N 2.9Å; L121-Y151 HydrophobicContact CD1-CD1 3.69Å; L121-Y151 HydrophobicContact CD1-CD2 4.17Å; L121-Y151 HydrophobicContact CD1-CE1 4.44Å; L121-Y151 HydrophobicContact CD1-CG 3.53Å; L121-V159 HydrophobicContact CB-CG1 4.3Å; L121-V159 HydrophobicContact CD2-CG1 4.27Å; L121-I162 HydrophobicContact CD2-CB 4.48Å; L121-I162 HydrophobicContact CD2-CD1 4.45Å; L121-I162 HydrophobicContact CD2-CG1 3.77Å; L121-I162 HydrophobicContact CD2-CG2 4.44Å |
| 122 | H | 97.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 111.8 | 165.4 | -179.2 | -159.9 | 0 | 0 | 0 | 108.3 | E142 L144 V160 E161 I163 | H122-E142 IonicContact CE1-OE2 3.26Å; H122-E142 PolarHBondContact CE1-OE2 2.91Å; H122-E142 IonicContact NE2-OE2 2.79Å; H122-E142 PolarHBondContact NE2-OE2 2.81Å; H122-L144 HydrophobicContact CB-CD2 4.24Å; H122-V160 HydrophobicContact CB-CB 4.33Å; H122-V160 PolarHBondContact O-N 3.11Å; H122-E161 HydrophobicContact CB-CG 3.83Å; H122-E161 PolarHBondContact N-O 3.25Å; H122-I163 HydrophobicContact CB-CD1 4.06Å; H122-I163 HydrophobicContact CB-CG1 4.26Å |
| 123 | L | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.3 | -177.6 | -60.2 | -178.9 | 0 | 0 | 0 | 109.8 | L121 E142 W143 F145 Y151 V157 E158 V159 | L121-L123 HydrophobicContact CB-CD2 3.91Å; L121-L123 HydrophobicContact CB-CG 4.26Å; L121-L123 PolarHBondContact O-N 2.82Å; L123-E142 VanDerWaalsContact O-CA 3.27Å; L123-E142 WeakPolarHBondContact O-CA 3.25Å; L123-W143 HydrophobicContact CB-CD2 4.11Å; L123-W143 HydrophobicContact CB-CG 4.38Å; L123-W143 HydrophobicContact CB-CZ2 4.1Å; L123-W143 HydrophobicContact CD1-CZ2 4.46Å; L123-W143 PolarHBondContact N-O 2.9Å; L123-W143 PolarHBondContact O-N 2.89Å; L123-F145 HydrophobicContact CD1-CB 3.75Å; L123-F145 HydrophobicContact CG-CB 4.42Å; L123-Y151 HydrophobicContact CD1-CD2 4.27Å; L123-Y151 HydrophobicContact CD1-CE2 3.53Å; L123-Y151 HydrophobicContact CD2-CE1 4.25Å; L123-Y151 HydrophobicContact CD2-CE2 3.96Å; L123-Y151 HydrophobicContact CG-CE2 4.42Å; L123-V157 HydrophobicContact CB-CG1 3.81Å; L123-V157 HydrophobicContact CD1-CG1 4.41Å; L123-V157 HydrophobicContact CD2-CG1 4.17Å; L123-V157 HydrophobicContact CG-CG1 4.34Å; L123-E158 WeakPolarHBondContact CA-O 3.47Å; L123-V159 HydrophobicContact CD2-CB 4.36Å; L123-V159 HydrophobicContact CD2-CG2 3.75Å |
| 124 | K | 96.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132 | 176.2 | -177.1 | 176.5 | 179.7 | 179.2 | 0 | 110.8 | D141 E142 V157 E158 V160 | K124-D141 CarbonylContact C-O 3.56Å; K124-D141 WeakPolarHBondContact CA-O 3.37Å; K124-E142 HydrophobicContact CB-CG 4.3Å; K124-E142 HydrophobicContact CD-CG 4.46Å; K124-E142 HydrophobicContact CG-CG 4.09Å; K124-V157 WeakPolarHBondContact O-CA 3.5Å; K124-E158 PolarHBondContact N-O 3.1Å; K124-E158 PolarHBondContact O-N 2.7Å; K124-V160 HydrophobicContact CB-CG2 3.59Å; K124-V160 HydrophobicContact CD-CG2 4.32Å |
| 125 | A | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F129 V137 V138 G140 D141 W143 | A125-F129 HydrophobicContact CB-CE1 4.11Å; A125-V137 HydrophobicContact CB-CG1 3.79Å; A125-V138 WeakPolarHBondContact CB-O 3.32Å; A125-G140 PolarHBondContact O-N 2.96Å; A125-D141 HydrophobicContact CB-CB 4.49Å; A125-D141 PolarHBondContact N-O 3.06Å; A125-W143 HydrophobicContact CB-CH2 3.95Å; A125-W143 HydrophobicContact CB-CZ3 3.79Å |
| 126 | L | 94.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 71.4 Ų | 71.4 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -84.4 | -30.2 | 174.4 | -65.7 | 177.1 | 0 | 0 | 0 | 112.2 | E156 E158 | L126-E156 PolarHBondContact N-O 3.5Å; L126-E158 HydrophobicContact CD1-CB 4.24Å; L126-E158 HydrophobicContact CD2-CB 3.91Å; L126-E158 HydrophobicContact CG-CB 4.04Å |
| 127 | L | 93.8 | Very high | 94.1 | Very high | 85 Ų | 85 | 67.3 Ų | 67.3 | 45% | 0.445 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -150.6 | 164.1 | -175.5 | 59.8 | 90.4 | 0 | 0 | 0 | 110.2 | F129 E156 | L127-F129 HydrophobicContact CD1-CB 4.37Å; L127-F129 WeakPolarHBondContact O-CD1 3.44Å; L127-E156 HydrophobicContact CD1-CB 3.88Å; L127-E156 HydrophobicContact CD1-CG 3.55Å; L127-E156 HydrophobicContact CD2-CG 4.48Å; L127-E156 HydrophobicContact CG-CB 4.01Å; L127-E156 HydrophobicContact CG-CG 4.12Å |
| 128 | D | 95.5 | Very high | 94.1 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | trans | -69.9 | 129.7 | 178.6 | -60.5 | -6.4 | 0 | 0 | 0 | 110.6 | V137 A139 | D128-V137 WeakPolarHBondContact CA-O 3.49Å; D128-A139 WeakPolarHBondContact OD1-CB 3.33Å; D128-A139 PolarHBondContact OD1-N 2.82Å | ||
| 129 | F | 94.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 64.8 Ų | 64.8 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 165.4 | 176.5 | 72.6 | -82.6 | 0 | 0 | 0 | 112.2 | A125 L127 D131 V137 W143 E156 V157 | A125-F129 HydrophobicContact CB-CE1 4.11Å; L127-F129 HydrophobicContact CD1-CB 4.37Å; L127-F129 WeakPolarHBondContact O-CD1 3.44Å; F129-D131 HydrophobicContact CE2-CB 4.45Å; F129-V137 HydrophobicContact CD1-CB 4.07Å; F129-V137 HydrophobicContact CD1-CG1 4.35Å; F129-V137 HydrophobicContact CE1-CB 3.69Å; F129-V137 HydrophobicContact CE1-CG1 3.64Å; F129-V137 HydrophobicContact CE1-CG2 4.25Å; F129-V137 HydrophobicContact CE2-CB 4.31Å; F129-V137 HydrophobicContact CE2-CG2 4.1Å; F129-V137 HydrophobicContact CZ-CB 3.81Å; F129-V137 HydrophobicContact CZ-CG1 3.95Å; F129-V137 HydrophobicContact CZ-CG2 3.83Å; F129-V137 PolarHBondContact N-O 2.83Å; F129-V137 PolarHBondContact O-N 3.42Å; F129-W143 HydrophobicContact CE1-CH2 4.17Å; F129-W143 HydrophobicContact CZ-CH2 4.05Å; F129-W143 HydrophobicContact CZ-CZ2 4.36Å; F129-E156 HydrophobicContact CB-CB 4.26Å; F129-E156 HydrophobicContact CB-CG 3.94Å; F129-E156 HydrophobicContact CD1-CB 3.54Å; F129-E156 HydrophobicContact CD1-CG 4.17Å; F129-E156 HydrophobicContact CE1-CB 4.01Å; F129-E156 HydrophobicContact CG-CB 3.89Å; F129-E156 HydrophobicContact CG-CG 4.03Å; F129-V157 HydrophobicContact CE1-CG2 3.87Å; F129-V157 HydrophobicContact CZ-CG2 3.75Å |
| 130 | E | 93.4 | Very high | 93.9 | Very high | 127 Ų | 127 | 65.2 Ų | 65.2 | 59% | 0.593 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.2 | 172.7 | -69.8 | 179.9 | 174.8 | 0 | 0 | 109.5 | D135 K136 | E130-D135 CarbonylContact C-O 3.58Å; E130-D135 WeakPolarHBondContact CA-O 3.43Å; E130-K136 HydrophobicContact CG-CG 4.12Å; E130-K136 WeakPolarHBondContact OE1-CE 3.48Å |
| 131 | D | 89.2 | Confident | 93.8 | Very high | 48 Ų | 48 | 68.6 Ų | 68.6 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | trans | -71.1 | 169.8 | 174.3 | -162 | 3 | 0 | 0 | 0 | 111.1 | F129 D133 G134 D135 V137 R154 | F129-D131 HydrophobicContact CE2-CB 4.45Å; D131-D133 PolarHBondContact O-N 2.94Å; D131-G134 WeakPolarHBondContact O-CA 3.43Å; D131-G134 PolarHBondContact O-N 3.2Å; D131-D135 PolarHBondContact N-O 2.92Å; D131-V137 HydrophobicContact CB-CG2 4.36Å; D131-R154 IonicContact OD1-CZ 2.75Å; D131-R154 IonicContact OD1-NH1 3.5Å; D131-R154 PolarHBondContact OD1-NH1 3.07Å; D131-R154 IonicContact OD1-NH2 3.89Å; D131-R154 PolarHBondContact OD1-NH2 2.94Å | ||
| 132 | K | 86.4 | Confident | 93.7 | Very high | 160 Ų | 160 | 70.9 Ų | 70.9 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29.9 | 176.6 | -65.2 | 179.1 | -179.3 | -179.9 | 0 | 112.8 | G134 | K132-G134 VanDerWaalsContact C-N 3.27Š|
| 133 | D | 88.3 | Confident | 93.6 | Very high | 136 Ų | 136 | 74.2 Ų | 74.2 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3.6 | 177.8 | -60.9 | -39.9 | 0 | 0 | 0 | 112.5 | D131 | D131-D133 PolarHBondContact O-N 2.94Š|
| 134 | G | 88.5 | Confident | 93.5 | Very high | 46 Ų | 46 | 75.6 Ų | 75.6 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 87.9 | 2.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D131 K132 | D131-G134 WeakPolarHBondContact O-CA 3.43Å; D131-G134 PolarHBondContact O-N 3.2Å; K132-G134 VanDerWaalsContact C-N 3.27Å |
| 135 | D | 91.4 | Very high | 93.5 | Very high | 108 Ų | 108 | 74.9 Ų | 74.9 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | trans | -74.4 | 137.3 | 178.1 | -69.2 | -36 | 0 | 0 | 0 | 111.3 | E130 D131 V137 | E130-D135 CarbonylContact C-O 3.58Å; E130-D135 WeakPolarHBondContact CA-O 3.43Å; D131-D135 PolarHBondContact N-O 2.92Å; D135-V137 PolarHBondContact O-N 3.11Å | ||
| 136 | K | 93.9 | Very high | 93.5 | Very high | 164 Ų | 164 | 80.1 Ų | 80.1 | 71% | 0.713 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 115.9 | 177.5 | -67.3 | -173.9 | 177.6 | -171.3 | 0 | 109.7 | E130 | E130-K136 HydrophobicContact CG-CG 4.12Å; E130-K136 WeakPolarHBondContact OE1-CE 3.48Å |
| 137 | V | 94.9 | Very high | 93.5 | Very high | 21 Ų | 21 | 76.5 Ų | 76.5 | 13% | 0.127 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.3 | 172.7 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | A125 D128 F129 D131 D135 D141 W143 | A125-V137 HydrophobicContact CB-CG1 3.79Å; D128-V137 WeakPolarHBondContact CA-O 3.49Å; F129-V137 HydrophobicContact CD1-CB 4.07Å; F129-V137 HydrophobicContact CD1-CG1 4.35Å; F129-V137 HydrophobicContact CE1-CB 3.69Å; F129-V137 HydrophobicContact CE1-CG1 3.64Å; F129-V137 HydrophobicContact CE1-CG2 4.25Å; F129-V137 HydrophobicContact CE2-CB 4.31Å; F129-V137 HydrophobicContact CE2-CG2 4.1Å; F129-V137 HydrophobicContact CZ-CB 3.81Å; F129-V137 HydrophobicContact CZ-CG1 3.95Å; F129-V137 HydrophobicContact CZ-CG2 3.83Å; F129-V137 PolarHBondContact N-O 2.83Å; F129-V137 PolarHBondContact O-N 3.42Å; D131-V137 HydrophobicContact CB-CG2 4.36Å; D135-V137 PolarHBondContact O-N 3.11Å; V137-D141 HydrophobicContact CG1-CB 4Å; V137-W143 HydrophobicContact CG1-CH2 3.95Å; V137-W143 HydrophobicContact CG1-CZ3 3.69Å |
| 138 | V | 95.6 | Very high | 93.7 | Very high | 77 Ų | 77 | 77.4 Ų | 77.4 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -96 | 146.8 | -178.2 | -177.8 | 0 | 0 | 0 | 0 | 110 | A125 G140 D141 | A125-V138 WeakPolarHBondContact CB-O 3.32Å; V138-G140 PolarHBondContact O-N 2.62Å; V138-D141 PolarHBondContact N-OD2 2.88Å; V138-D141 VanDerWaalsContact O-CB 3.23Å; V138-D141 WeakPolarHBondContact O-CB 3.49Å; V138-D141 VanDerWaalsContact O-CG 3.24Å; V138-D141 PolarHBondContact O-N 2.7Å |
| 139 | A | 95.7 | Very high | 93.7 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 127.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D128 | D128-A139 WeakPolarHBondContact OD1-CB 3.33Å; D128-A139 PolarHBondContact OD1-N 2.82Å |
| 140 | G | 93.6 | Very high | 93.8 | Very high | 30 Ų | 30 | 75.2 Ų | 75.2 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -4.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A125 V138 | A125-G140 PolarHBondContact O-N 2.96Å; V138-G140 PolarHBondContact O-N 2.62Å |
| 141 | D | 94.3 | Very high | 94 | Very high | 71 Ų | 71 | 69.8 Ų | 69.8 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | trans | -61.3 | 143.4 | 168.2 | -73.4 | -13.9 | 0 | 0 | 0 | 110.3 | K124 A125 V137 V138 W143 | K124-D141 CarbonylContact C-O 3.56Å; K124-D141 WeakPolarHBondContact CA-O 3.37Å; A125-D141 HydrophobicContact CB-CB 4.49Å; A125-D141 PolarHBondContact N-O 3.06Å; V137-D141 HydrophobicContact CG1-CB 4Å; V138-D141 PolarHBondContact N-OD2 2.88Å; V138-D141 VanDerWaalsContact O-CB 3.23Å; V138-D141 WeakPolarHBondContact O-CB 3.49Å; V138-D141 VanDerWaalsContact O-CG 3.24Å; V138-D141 PolarHBondContact O-N 2.7Å; D141-W143 HydrophobicContact CB-CE3 4.43Å; D141-W143 HydrophobicContact CB-CZ3 4.25Å; D141-W143 WeakPolarHBondContact O-CZ3 3.22Å | ||
| 142 | E | 94.9 | Very high | 94.3 | Very high | 49 Ų | 49 | 71.1 Ų | 71.1 | 23% | 0.229 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.2 | -176.4 | -65.1 | 173.2 | -140.6 | 0 | 0 | 109.9 | H122 L123 K124 K180 V208 F209 | H122-E142 IonicContact CE1-OE2 3.26Å; H122-E142 PolarHBondContact CE1-OE2 2.91Å; H122-E142 IonicContact NE2-OE2 2.79Å; H122-E142 PolarHBondContact NE2-OE2 2.81Å; L123-E142 VanDerWaalsContact O-CA 3.27Å; L123-E142 WeakPolarHBondContact O-CA 3.25Å; K124-E142 HydrophobicContact CB-CG 4.3Å; K124-E142 HydrophobicContact CD-CG 4.46Å; K124-E142 HydrophobicContact CG-CG 4.09Å; E142-K180 IonicContact OE1-NZ 3.2Å; E142-V208 HydrophobicContact CB-CG1 3.44Å; E142-V208 VanDerWaalsContact CB-CG1 3.44Å; E142-F209 HydrophobicContact CB-CE1 4.15Å; E142-F209 HydrophobicContact CB-CZ 4.38Å |
| 143 | W | 95.1 | Very high | 94.7 | Very high | 77 Ų | 77 | 64.5 Ų | 64.5 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 170.3 | 178.9 | 65.5 | 99 | 0 | 0 | 0 | 111.4 | L123 A125 F129 V137 D141 V157 V208 | L123-W143 HydrophobicContact CB-CD2 4.11Å; L123-W143 HydrophobicContact CB-CG 4.38Å; L123-W143 HydrophobicContact CB-CZ2 4.1Å; L123-W143 HydrophobicContact CD1-CZ2 4.46Å; L123-W143 PolarHBondContact N-O 2.9Å; L123-W143 PolarHBondContact O-N 2.89Å; A125-W143 HydrophobicContact CB-CH2 3.95Å; A125-W143 HydrophobicContact CB-CZ3 3.79Å; F129-W143 HydrophobicContact CE1-CH2 4.17Å; F129-W143 HydrophobicContact CZ-CH2 4.05Å; F129-W143 HydrophobicContact CZ-CZ2 4.36Å; V137-W143 HydrophobicContact CG1-CH2 3.95Å; V137-W143 HydrophobicContact CG1-CZ3 3.69Å; D141-W143 HydrophobicContact CB-CE3 4.43Å; D141-W143 HydrophobicContact CB-CZ3 4.25Å; D141-W143 WeakPolarHBondContact O-CZ3 3.22Å; W143-V157 HydrophobicContact CH2-CG1 3.96Å; W143-V157 HydrophobicContact CH2-CG2 3.81Å; W143-V157 HydrophobicContact CZ2-CB 4.43Å; W143-V157 HydrophobicContact CZ2-CG1 3.7Å; W143-V157 HydrophobicContact CZ2-CG2 3.77Å; W143-V208 VanDerWaalsContact CA-CG2 3.49Å |
| 144 | L | 96.3 | Very high | 95 | Very high | 32 Ų | 32 | 61.2 Ų | 61.2 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 140.3 | 176.1 | -60.4 | -174.2 | 0 | 0 | 0 | 111.1 | A120 L121 H122 E146 I163 P206 V208 | A120-L144 HydrophobicContact CB-CB 4.15Å; A120-L144 HydrophobicContact CB-CD1 4.24Å; A120-L144 HydrophobicContact CB-CD2 4.43Å; A120-L144 HydrophobicContact CB-CG 4.48Å; L121-L144 WeakPolarHBondContact O-CA 3.37Å; H122-L144 HydrophobicContact CB-CD2 4.24Å; L144-E146 HydrophobicContact CB-CG 4.29Å; L144-I163 HydrophobicContact CD2-CD1 3.72Å; L144-P206 VanDerWaalsContact CD1-O 3.25Å; L144-P206 WeakPolarHBondContact CD1-O 3.33Å; L144-V208 HydrophobicContact CD2-CG2 3.97Å; L144-V208 HydrophobicContact CG-CG2 3.66Å |
| 145 | F | 96.6 | Very high | 95.2 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 102 | 158 | 179.5 | -88 | 0 | 0 | 0 | 108.3 | V115 A120 L121 L123 Y151 | V115-F145 HydrophobicContact CB-CD1 4.2Å; V115-F145 HydrophobicContact CB-CE1 4.07Å; V115-F145 HydrophobicContact CG1-CD1 4.44Å; V115-F145 HydrophobicContact CG2-CD1 3.72Å; V115-F145 HydrophobicContact CG2-CE1 3.73Å; A120-F145 CarbonylContact C-O 3.55Å; A120-F145 VanDerWaalsContact CA-O 3.22Å; A120-F145 WeakPolarHBondContact CA-O 3.13Å; A120-F145 WeakPolarHBondContact CB-O 3.37Å; L121-F145 HydrophobicContact CB-CB 4.3Å; L121-F145 HydrophobicContact CD1-CD1 4.49Å; L121-F145 PolarHBondContact N-O 2.93Å; L121-F145 PolarHBondContact O-N 2.9Å; L123-F145 HydrophobicContact CD1-CB 3.75Å; L123-F145 HydrophobicContact CG-CB 4.42Å; F145-Y151 HydrophobicContact CB-CD2 4.38Å; F145-Y151 HydrophobicContact CD1-CD2 4.32Å; F145-Y151 HydrophobicContact CD2-CD2 4.08Å; F145-Y151 HydrophobicContact CE2-CD2 4.45Å; F145-Y151 HydrophobicContact CG-CD2 4Å |
| 146 | E | 96.4 | Very high | 95.4 | Very high | 112 Ų | 112 | 58.9 Ų | 58.9 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.7 | -178.2 | -60 | -172.1 | -178.9 | 0 | 0 | 111.7 | A120 L144 L205 | A120-E146 HydrophobicContact CB-CG 4.35Å; L144-E146 HydrophobicContact CB-CG 4.29Å; E146-L205 HydrophobicContact CB-CD2 4.41Å; E146-L205 HydrophobicContact CG-CD2 3.95Å |
| 147 | G | 95.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -79.2 | 166.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | T119 | T119-G147 PolarHBondContact O-N 3.11Š|
| 148 | P | 96.9 | Very high | 95.6 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 68% | 0.675 | 30% | 0.304 | S | S | * | . | S | Bend | cis | -82.8 | 132 | 5 | 30.6 | -32.6 | 0 | 0 | 0 | 112.9 | V115 P117 | V115-P148 WeakPolarHBondContact O-CA 3.49Å; P117-P148 HydrophobicContact CG-CB 4.09Å; P117-P148 HydrophobicContact CG-CG 4.49Å |
| 149 | G | 96.3 | Very high | 95.6 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 24% | 0.237 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 163.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V115 | V115-G149 PolarHBondContact N-O 3.27Å; V115-G149 PolarHBondContact O-N 2.71Å; V115-G149 VanDerWaalsContact O-N 3.07Å |
| 150 | T | 96.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 55.2 Ų | 55.2 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 115.5 | 168.8 | -57.9 | 0 | 0 | 0 | 0 | 108.1 | L112 I152 | L112-T150 HydrophobicContact CB-CG2 3.46Å; L112-T150 VanDerWaalsContact CB-CG2 3.46Å; L112-T150 HydrophobicContact CD1-CG2 3.88Å; L112-T150 HydrophobicContact CG-CG2 4.28Å; T150-I152 PolarHBondContact O-N 3.22Å |
| 151 | Y | 96.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 126.9 | 177.6 | 176.8 | -112.6 | 0 | 0 | 0 | 109.6 | Q113 L121 L123 F145 P153 V159 | Q113-Y151 PolarHBondContact O-N 2.94Å; L121-Y151 HydrophobicContact CD1-CD1 3.69Å; L121-Y151 HydrophobicContact CD1-CD2 4.17Å; L121-Y151 HydrophobicContact CD1-CE1 4.44Å; L121-Y151 HydrophobicContact CD1-CG 3.53Å; L123-Y151 HydrophobicContact CD1-CD2 4.27Å; L123-Y151 HydrophobicContact CD1-CE2 3.53Å; L123-Y151 HydrophobicContact CD2-CE1 4.25Å; L123-Y151 HydrophobicContact CD2-CE2 3.96Å; L123-Y151 HydrophobicContact CG-CE2 4.42Å; F145-Y151 HydrophobicContact CB-CD2 4.38Å; F145-Y151 HydrophobicContact CD1-CD2 4.32Å; F145-Y151 HydrophobicContact CD2-CD2 4.08Å; F145-Y151 HydrophobicContact CE2-CD2 4.45Å; F145-Y151 HydrophobicContact CG-CD2 4Å; Y151-P153 HydrophobicContact CD1-CG 4.33Å; Y151-P153 HydrophobicContact CE1-CB 4.23Å; Y151-P153 HydrophobicContact CE1-CG 4.29Å; Y151-P153 WeakPolarHBondContact O-CD 3.3Å; Y151-V159 HydrophobicContact CD1-CG2 4.28Å; Y151-V159 HydrophobicContact CE1-CG2 3.69Å |
| 152 | I | 95.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | trans | -95 | 112.6 | 171.8 | -60.9 | 176.3 | 0 | 0 | 0 | 106.7 | L92 T150 | L92-I152 HydrophobicContact CD1-CD1 4.42Å; L92-I152 HydrophobicContact CD1-CG2 4.27Å; L92-I152 HydrophobicContact CD2-CG2 4.14Å; T150-I152 PolarHBondContact O-N 3.22Å | ||
| 153 | P | 95.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 58 Ų | 58 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | trans | -59.2 | 149.9 | -179.2 | -24.5 | 35.9 | 0 | 0 | 0 | 111.8 | Y58 I90 L112 Y151 | Y58-P153 HydrophobicContact CD1-CG 4.26Å; Y58-P153 HydrophobicContact CD2-CG 4.41Å; Y58-P153 HydrophobicContact CE1-CG 3.84Å; Y58-P153 HydrophobicContact CE2-CB 4.23Å; Y58-P153 HydrophobicContact CE2-CG 3.97Å; I90-P153 VanDerWaalsContact CD1-C 3.41Å; I90-P153 HydrophobicContact CD1-CB 4.04Å; I90-P153 WeakPolarHBondContact CD1-O 3.41Å; L112-P153 HydrophobicContact CD2-CG 4.5Å; Y151-P153 HydrophobicContact CD1-CG 4.33Å; Y151-P153 HydrophobicContact CE1-CB 4.23Å; Y151-P153 HydrophobicContact CE1-CG 4.29Å; Y151-P153 WeakPolarHBondContact O-CD 3.3Å | ||
| 154 | R | 94.4 | Very high | 95.9 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | trans | -120.4 | 153.2 | 171.5 | -63.8 | -166.4 | -173 | -164.9 | 9.9 | 109.2 | I90 D131 E156 V157 | I90-R154 VanDerWaalsContact CD1-CA 3.5Å; D131-R154 IonicContact OD1-CZ 2.75Å; D131-R154 IonicContact OD1-NH1 3.5Å; D131-R154 PolarHBondContact OD1-NH1 3.07Å; D131-R154 IonicContact OD1-NH2 3.89Å; D131-R154 PolarHBondContact OD1-NH2 2.94Å; R154-E156 VanDerWaalsContact C-N 3.29Å; R154-V157 HydrophobicContact CB-CB 4.09Å; R154-V157 HydrophobicContact CB-CG2 3.87Å | ||
| 155 | K | 93.8 | Very high | 95.9 | Very high | 66 Ų | 66 | 60.7 Ų | 60.7 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -24.3 | -179.4 | 63.1 | -176.6 | -177.5 | 173 | 0 | 111.7 | D87 L88 | D87-K155 IonicContact OD1-NZ 3.46Å; D87-K155 PolarHBondContact OD1-NZ 2.9Å; D87-K155 IonicContact OD2-NZ 3.53Å; D87-K155 PolarHBondContact OD2-NZ 2.77Å; L88-K155 HydrophobicContact CB-CB 4.01Å; L88-K155 HydrophobicContact CB-CD 4.31Å; L88-K155 WeakPolarHBondContact O-CD 3.27Å |
| 156 | E | 95.2 | Very high | 95.9 | Very high | 38 Ų | 38 | 59.4 Ų | 59.4 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.5 | -178.6 | -50 | 85.9 | 175.2 | 0 | 0 | 112.7 | L126 L127 F129 R154 | L126-E156 PolarHBondContact N-O 3.5Å; L127-E156 HydrophobicContact CD1-CB 3.88Å; L127-E156 HydrophobicContact CD1-CG 3.55Å; L127-E156 HydrophobicContact CD2-CG 4.48Å; L127-E156 HydrophobicContact CG-CB 4.01Å; L127-E156 HydrophobicContact CG-CG 4.12Å; F129-E156 HydrophobicContact CB-CB 4.26Å; F129-E156 HydrophobicContact CB-CG 3.94Å; F129-E156 HydrophobicContact CD1-CB 3.54Å; F129-E156 HydrophobicContact CD1-CG 4.17Å; F129-E156 HydrophobicContact CE1-CB 4.01Å; F129-E156 HydrophobicContact CG-CB 3.89Å; F129-E156 HydrophobicContact CG-CG 4.03Å; R154-E156 VanDerWaalsContact C-N 3.29Å |
| 157 | V | 96.5 | Very high | 95.9 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.8 | -170.1 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | L123 K124 F129 W143 R154 | L123-V157 HydrophobicContact CB-CG1 3.81Å; L123-V157 HydrophobicContact CD1-CG1 4.41Å; L123-V157 HydrophobicContact CD2-CG1 4.17Å; L123-V157 HydrophobicContact CG-CG1 4.34Å; K124-V157 WeakPolarHBondContact O-CA 3.5Å; F129-V157 HydrophobicContact CE1-CG2 3.87Å; F129-V157 HydrophobicContact CZ-CG2 3.75Å; W143-V157 HydrophobicContact CH2-CG1 3.96Å; W143-V157 HydrophobicContact CH2-CG2 3.81Å; W143-V157 HydrophobicContact CZ2-CB 4.43Å; W143-V157 HydrophobicContact CZ2-CG1 3.7Å; W143-V157 HydrophobicContact CZ2-CG2 3.77Å; R154-V157 HydrophobicContact CB-CB 4.09Å; R154-V157 HydrophobicContact CB-CG2 3.87Å |
| 158 | E | 95.9 | Very high | 96 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 142 | 172.9 | -177.8 | 174.6 | -153.4 | 0 | 0 | 110.6 | L123 K124 L126 | L123-E158 WeakPolarHBondContact CA-O 3.47Å; K124-E158 PolarHBondContact N-O 3.1Å; K124-E158 PolarHBondContact O-N 2.7Å; L126-E158 HydrophobicContact CD1-CB 4.24Å; L126-E158 HydrophobicContact CD2-CB 3.91Å; L126-E158 HydrophobicContact CG-CB 4.04Å |
| 159 | V | 96.6 | Very high | 96 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 107.8 | 168.9 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | L121 L123 Y151 | L121-V159 HydrophobicContact CB-CG1 4.3Å; L121-V159 HydrophobicContact CD2-CG1 4.27Å; L123-V159 HydrophobicContact CD2-CB 4.36Å; L123-V159 HydrophobicContact CD2-CG2 3.75Å; Y151-V159 HydrophobicContact CD1-CG2 4.28Å; Y151-V159 HydrophobicContact CE1-CG2 3.69Å |
| 160 | V | 96.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 68.4 Ų | 68.4 | 42% | 0.424 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -53.9 | -177.6 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | H122 K124 | H122-V160 HydrophobicContact CB-CB 4.33Å; H122-V160 PolarHBondContact O-N 3.11Å; K124-V160 HydrophobicContact CB-CG2 3.59Å; K124-V160 HydrophobicContact CD-CG2 4.32Å |
| 161 | E | 95.4 | Very high | 95.8 | Very high | 93 Ų | 93 | 69.1 Ų | 69.1 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 168.5 | -179.6 | 61.7 | -177.5 | -177 | 0 | 0 | 112.4 | H122 I163 | H122-E161 HydrophobicContact CB-CG 3.83Å; H122-E161 PolarHBondContact N-O 3.25Å; E161-I163 HydrophobicContact CG-CG1 4.28Å |
| 162 | I | 95.8 | Very high | 95.8 | Very high | 95 Ų | 95 | 69.9 Ų | 69.9 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.5 | 171.6 | -54 | 177.5 | 0 | 0 | 0 | 107.5 | A120 L121 | A120-I162 CarbonylContact O-C 3.55Å; A120-I162 WeakPolarHBondContact O-CA 3.37Å; L121-I162 HydrophobicContact CD2-CB 4.48Å; L121-I162 HydrophobicContact CD2-CD1 4.45Å; L121-I162 HydrophobicContact CD2-CG1 3.77Å; L121-I162 HydrophobicContact CD2-CG2 4.44Å |
| 163 | I | 95.8 | Very high | 95.8 | Very high | 21 Ų | 21 | 66.3 Ų | 66.3 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132 | 177.1 | -60.4 | -176.5 | 0 | 0 | 0 | 108.9 | T119 A120 H122 L144 E161 L205 P206 | T119-I163 CarbonylContact C-O 3.54Å; T119-I163 WeakPolarHBondContact CA-O 3.22Å; T119-I163 WeakPolarHBondContact CB-O 3.25Å; A120-I163 PolarHBondContact N-O 2.86Å; A120-I163 PolarHBondContact O-N 3.35Å; H122-I163 HydrophobicContact CB-CD1 4.06Å; H122-I163 HydrophobicContact CB-CG1 4.26Å; L144-I163 HydrophobicContact CD2-CD1 3.72Å; E161-I163 HydrophobicContact CG-CG1 4.28Å; I163-L205 HydrophobicContact CG2-CD1 4.05Å; I163-P206 HydrophobicContact CG2-CG 3.62Å |
| 164 | Q | 95.3 | Very high | 95.9 | Very high | 145 Ų | 145 | 65.3 Ų | 65.3 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 142.2 | 173.3 | -62.7 | -173.1 | -16.1 | 0 | 0 | 109.9 | T119 | T119-Q164 HydrophobicContact CG2-CG 4.24Å |
| 165 | A | 96.5 | Very high | 96.1 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | trans | -66.8 | 139.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N118 A203 Y204 L205 | N118-A165 HydrophobicContact CB-CB 3.85Å; N118-A165 VanDerWaalsContact O-CB 3.32Å; N118-A165 WeakPolarHBondContact O-CB 3.48Å; N118-A165 PolarHBondContact O-N 2.84Å; A165-A203 HydrophobicContact CB-CB 3.91Å; A165-Y204 CarbonylContact C-O 3.6Å; A165-Y204 VanDerWaalsContact CA-O 3.23Å; A165-Y204 WeakPolarHBondContact CA-O 3.3Å; A165-L205 HydrophobicContact CB-CB 4.12Å; A165-L205 HydrophobicContact CB-CD1 4.22Å | ||
| 166 | T | 96.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.5 | 173.1 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | I168 L174 Y204 L215 | T166-I168 PolarHBondContact O-N 2.98Å; T166-L174 HydrophobicContact CG2-CD1 3.7Å; T166-L174 HydrophobicContact CG2-CD2 4.41Å; T166-Y204 PolarHBondContact N-O 3.37Å; T166-Y204 PolarHBondContact O-N 3.06Å; T166-L215 HydrophobicContact CG2-CD1 4.23Å; T166-L215 HydrophobicContact CG2-CD2 4.21Å; T166-L215 HydrophobicContact CG2-CG 4.28Å |
| 167 | I | 96.9 | Very high | 96.3 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 60% | 0.595 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 114.9 | -179.6 | -58.5 | 172.8 | 0 | 0 | 0 | 109.3 | ||
| 168 | I | 97.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118 | 173.6 | -51.6 | 177.6 | 0 | 0 | 0 | 107.9 | T166 Q172 L174 V198 G202 Y204 L215 | T166-I168 PolarHBondContact O-N 2.98Å; I168-Q172 HydrophobicContact CG2-CB 4.27Å; I168-Q172 WeakPolarHBondContact CG2-O 3.44Å; I168-L174 HydrophobicContact CD1-CB 3.5Å; I168-L174 HydrophobicContact CD1-CD2 4.26Å; I168-L174 HydrophobicContact CG1-CB 3.91Å; I168-V198 HydrophobicContact CD1-CB 4.32Å; I168-V198 HydrophobicContact CD1-CG1 4.04Å; I168-G202 PolarHBondContact N-O 2.81Å; I168-G202 PolarHBondContact O-N 2.79Å; I168-Y204 HydrophobicContact CD1-CG 4.3Å; I168-L215 HydrophobicContact CG1-CD2 4.35Å |
| 169 | R | 96.6 | Very high | 96.3 | Very high | 174 Ų | 174 | 64 Ų | 64 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 173.1 | 176.5 | -57.4 | 178.1 | 179.3 | 157.5 | 1.8 | 111 | Q172 | R169-Q172 HydrophobicContact CB-CG 4.25Å; R169-Q172 VanDerWaalsContact CB-OE1 3.27Å; R169-Q172 PolarHBondContact O-N 2.7Å |
| 170 | Q | 94.6 | Very high | 96.1 | Very high | 154 Ų | 154 | 66.4 Ų | 66.4 | 72% | 0.72 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 143 | 168.9 | -167.2 | 154.6 | 10.6 | 0 | 0 | 110.2 | Q172 | Q170-Q172 PolarHBondContact O-N 2.74Š|
| 171 | N | 94.7 | Very high | 96 | Very high | 81 Ų | 81 | 69.8 Ų | 69.8 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 27.1 | -174.2 | -57.4 | -20 | 0 | 0 | 0 | 113.6 | A218 | N171-A218 HydrophobicContact CB-CB 3.84Å; N171-A218 WeakPolarHBondContact O-CB 3.34Å; N171-A218 PolarHBondContact O-N 2.78Å |
| 172 | Q | 95.9 | Very high | 95.9 | Very high | 29 Ų | 29 | 66.2 Ų | 66.2 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.7 | 170.2 | -63.2 | -170.3 | -44.9 | 0 | 0 | 110.2 | I168 R169 Q170 V216 D217 | I168-Q172 HydrophobicContact CG2-CB 4.27Å; I168-Q172 WeakPolarHBondContact CG2-O 3.44Å; R169-Q172 HydrophobicContact CB-CG 4.25Å; R169-Q172 VanDerWaalsContact CB-OE1 3.27Å; R169-Q172 PolarHBondContact O-N 2.7Å; Q170-Q172 PolarHBondContact O-N 2.74Å; Q172-V216 CarbonylContact C-O 3.55Å; Q172-V216 VanDerWaalsContact CA-O 3.32Å; Q172-V216 WeakPolarHBondContact CA-O 3.31Å; Q172-D217 WeakPolarHBondContact CG-OD1 3.49Å; Q172-D217 PolarHBondContact NE2-OD1 2.93Å |
| 173 | A | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L197 V198 T199 L215 V216 V260 | A173-L197 HydrophobicContact CB-CB 4.11Å; A173-L197 HydrophobicContact CB-CD1 4.09Å; A173-L197 HydrophobicContact CB-CD2 4.34Å; A173-L197 HydrophobicContact CB-CG 4.42Å; A173-V198 CarbonylContact C-O 3.59Å; A173-V198 VanDerWaalsContact CA-O 3.23Å; A173-V198 WeakPolarHBondContact CA-O 3.3Å; A173-V198 WeakPolarHBondContact CB-O 3.38Å; A173-T199 HydrophobicContact CB-CG2 3.88Å; A173-L215 CarbonylContact O-C 3.57Å; A173-L215 WeakPolarHBondContact O-CA 3.4Å; A173-V216 PolarHBondContact N-O 3Å; A173-V216 PolarHBondContact O-N 2.82Å; A173-V260 HydrophobicContact CB-CG1 3.74Å |
| 174 | L | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.7 | 173.3 | -173.6 | 64 | 0 | 0 | 0 | 109.8 | T166 I168 L176 L197 V198 Y204 V212 L215 | T166-L174 HydrophobicContact CG2-CD1 3.7Å; T166-L174 HydrophobicContact CG2-CD2 4.41Å; I168-L174 HydrophobicContact CD1-CB 3.5Å; I168-L174 HydrophobicContact CD1-CD2 4.26Å; I168-L174 HydrophobicContact CG1-CB 3.91Å; L174-L176 HydrophobicContact CD2-CD2 3.82Å; L174-L176 HydrophobicContact CG-CD2 3.93Å; L174-L176 HydrophobicContact CG-CG 4.45Å; L174-L197 CarbonylContact O-C 3.51Å; L174-L197 WeakPolarHBondContact O-CA 3.36Å; L174-V198 HydrophobicContact CB-CB 4.45Å; L174-V198 PolarHBondContact N-O 2.83Å; L174-V198 PolarHBondContact O-N 2.83Å; L174-Y204 HydrophobicContact CD2-CD1 3.5Å; L174-Y204 VanDerWaalsContact CD2-CD1 3.5Å; L174-Y204 HydrophobicContact CD2-CE1 4.28Å; L174-Y204 HydrophobicContact CD2-CG 4Å; L174-V212 HydrophobicContact CD1-CG1 3.64Å; L174-V212 HydrophobicContact CD2-CG1 4.46Å; L174-V212 HydrophobicContact CD2-CG2 4.43Å; L174-V212 HydrophobicContact CG-CG1 4.35Å; L174-L215 HydrophobicContact CB-CD2 4.25Å; L174-L215 HydrophobicContact CD1-CD2 3.8Å; L174-L215 HydrophobicContact CD1-CG 4.18Å |
| 175 | R | 97.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.2 | 173.1 | -169.3 | -175.7 | -175.7 | 151.9 | 6.4 | 110.4 | E195 W196 L197 L213 D214 V216 V263 | R175-E195 IonicContact CZ-OE2 2.86Å; R175-E195 IonicContact NE-OE2 2.69Å; R175-E195 PolarHBondContact NE-OE2 2.87Å; R175-E195 IonicContact NH2-OE2 3.81Å; R175-E195 PolarHBondContact NH2-OE2 3.27Å; R175-W196 WeakPolarHBondContact CA-O 3.14Å; R175-L197 HydrophobicContact CB-CD2 3.69Å; R175-L197 HydrophobicContact CG-CD2 4Å; R175-L213 HydrophobicContact CB-CB 4.37Å; R175-L213 HydrophobicContact CG-CB 4.39Å; R175-L213 HydrophobicContact CG-CD1 4.12Å; R175-L213 PolarHBondContact O-N 2.91Å; R175-D214 VanDerWaalsContact CB-OD1 3.27Å; R175-D214 WeakPolarHBondContact CB-OD1 3.23Å; R175-D214 WeakPolarHBondContact CD-OD1 3.46Å; R175-D214 PolarHBondContact N-O 3.35Å; R175-V216 HydrophobicContact CB-CG2 4.32Å; R175-V263 HydrophobicContact CG-CG2 4.44Å |
| 176 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 155.3 | 178.8 | -59.5 | 178.9 | 0 | 0 | 0 | 110.5 | L174 E195 W196 V198 Y204 E210 E211 V212 | L174-L176 HydrophobicContact CD2-CD2 3.82Å; L174-L176 HydrophobicContact CG-CD2 3.93Å; L174-L176 HydrophobicContact CG-CG 4.45Å; L176-E195 WeakPolarHBondContact O-CA 3.42Å; L176-W196 HydrophobicContact CB-CD2 4.2Å; L176-W196 HydrophobicContact CB-CH2 4.25Å; L176-W196 HydrophobicContact CB-CZ2 3.83Å; L176-W196 HydrophobicContact CD1-CZ2 3.97Å; L176-W196 PolarHBondContact N-O 2.79Å; L176-W196 PolarHBondContact O-N 2.87Å; L176-W196 VanDerWaalsContact O-N 3.11Å; L176-V198 HydrophobicContact CD1-CG2 3.58Å; L176-V198 HydrophobicContact CG-CG2 4.33Å; L176-Y204 HydrophobicContact CD1-CE1 3.55Å; L176-Y204 HydrophobicContact CD2-CE1 4.28Å; L176-E210 HydrophobicContact CD1-CB 4.44Å; L176-E210 HydrophobicContact CD1-CG 4.43Å; L176-E211 CarbonylContact C-O 3.46Å; L176-E211 WeakPolarHBondContact CA-O 3.49Å; L176-V212 HydrophobicContact CD2-CB 4.4Å; L176-V212 HydrophobicContact CD2-CG2 3.84Å |
| 177 | R | 97.2 | Very high | 94.4 | Very high | 81 Ų | 81 | 74.6 Ų | 74.6 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.7 | 170 | -177.7 | 168.9 | 64.4 | -161.6 | 2.6 | 110.9 | R179 E194 E195 E211 L213 | R177-R179 PolarHBondContact O-N 2.81Å; R177-E194 CarbonylContact C-O 3.58Å; R177-E194 WeakPolarHBondContact CA-O 3.43Å; R177-E195 HydrophobicContact CB-CG 3.91Å; R177-E195 HydrophobicContact CG-CG 3.95Å; R177-E211 HydrophobicContact CB-CB 4.3Å; R177-E211 IonicContact CZ-OE1 3.3Å; R177-E211 IonicContact CZ-OE2 3.69Å; R177-E211 PolarHBondContact N-O 3.24Å; R177-E211 IonicContact NE-OE2 2.71Å; R177-E211 PolarHBondContact NE-OE2 2.82Å; R177-E211 IonicContact NH2-OE1 3.9Å; R177-E211 PolarHBondContact NH2-OE1 3.07Å; R177-E211 IonicContact NH2-OE2 3.81Å; R177-E211 PolarHBondContact NH2-OE2 3.03Å; R177-E211 WeakPolarHBondContact O-CB 3.33Å; R177-E211 PolarHBondContact O-N 2.86Å; R177-L213 HydrophobicContact CB-CD1 3.96Å; R177-L213 HydrophobicContact CB-CD2 4.33Å; R177-L213 HydrophobicContact CB-CG 4.14Å |
| 178 | A | 96.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 74.3 Ų | 74.3 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 120.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R190 V191 G193 E194 W196 | A178-R190 HydrophobicContact CB-CB 4.2Å; A178-V191 VanDerWaalsContact CB-O 3.3Å; A178-V191 WeakPolarHBondContact CB-O 3.39Å; A178-G193 PolarHBondContact O-N 3.2Å; A178-E194 PolarHBondContact N-O 3.43Å; A178-W196 HydrophobicContact CB-CH2 3.99Å; A178-W196 HydrophobicContact CB-CZ3 3.69Å |
| 179 | R | 94.6 | Very high | 94 | Very high | 120 Ų | 120 | 80.1 Ų | 80.1 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -74.8 | -29.9 | 173.2 | -68.1 | -174.9 | 171.2 | 174.4 | 1.7 | 112.6 | R177 F209 E211 | R177-R179 PolarHBondContact O-N 2.81Å; R179-F209 PolarHBondContact N-O 2.91Å; R179-E211 HydrophobicContact CG-CB 3.96Å |
| 180 | K | 93.3 | Very high | 94 | Very high | 100 Ų | 100 | 72.8 Ų | 72.8 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -144.4 | 169.7 | 177.7 | -67.8 | -178.4 | -177.2 | 167.7 | 0 | 108.4 | E142 C182 T192 F209 | E142-K180 IonicContact OE1-NZ 3.2Å; K180-C182 PolarHBondContact O-N 3.24Å; K180-T192 WeakPolarHBondContact CA-OG1 3.21Å; K180-F209 HydrophobicContact CB-CD1 4.42Å; K180-F209 HydrophobicContact CB-CG 4.31Å; K180-F209 HydrophobicContact CD-CD1 4.11Å; K180-F209 HydrophobicContact CD-CE1 4.01Å; K180-F209 HydrophobicContact CG-CD1 4.46Å |
| 181 | E | 93.5 | Very high | 94 | Very high | 142 Ų | 142 | 69.3 Ų | 69.3 | 66% | 0.664 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -57.1 | 123.4 | 169.3 | -67.9 | 175 | 177.5 | 0 | 0 | 109.7 | R190 T192 | E181-R190 WeakPolarHBondContact CA-O 3.47Å; E181-T192 PolarHBondContact N-OG1 2.79Å |
| 182 | C | 92.4 | Very high | 94.1 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 169.1 | -175.2 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | K180 R190 F209 | K180-C182 PolarHBondContact O-N 3.24Å; C182-R190 PolarHBondContact N-O 2.86Å; C182-R190 VanDerWaalsContact N-O 3.07Å; C182-R190 PolarHBondContact O-N 2.75Å; C182-F209 HydrophobicContact CB-CB 4.13Å; C182-F209 HydrophobicContact CB-CD2 4.21Å |
| 183 | W | 92.1 | Very high | 94.1 | Very high | 167 Ų | 167 | 70.3 Ų | 70.3 | 63% | 0.633 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.8 | 170.1 | -62.8 | 85.2 | 0 | 0 | 0 | 107.7 | G187 E189 | W183-G187 VanDerWaalsContact CE3-O 3.29Å; W183-G187 WeakPolarHBondContact CZ3-O 3.39Å; W183-E189 HydrophobicContact CE3-CB 4.21Å; W183-E189 HydrophobicContact CH2-CB 4.11Å; W183-E189 HydrophobicContact CZ3-CB 3.95Å |
| 184 | D | 90.6 | Very high | 94 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | trans | -72 | 173.8 | 171.8 | 71.8 | 17.5 | 0 | 0 | 0 | 111.3 | D186 G187 K188 R190 W196 | D184-D186 PolarHBondContact O-N 2.93Å; D184-D186 WeakPolarHBondContact OD1-CA 3.13Å; D184-D186 PolarHBondContact OD1-N 3.12Å; D184-G187 PolarHBondContact O-N 2.99Å; D184-G187 PolarHBondContact OD1-N 3.42Å; D184-K188 PolarHBondContact N-O 2.95Å; D184-K188 WeakPolarHBondContact OD1-CB 3.36Å; D184-K188 PolarHBondContact OD1-N 2.94Å; D184-K188 WeakPolarHBondContact OD2-CB 3.27Å; D184-R190 HydrophobicContact CB-CG 4Å; D184-R190 IonicContact OD2-CZ 3.54Å; D184-R190 IonicContact OD2-NE 3.89Å; D184-R190 PolarHBondContact OD2-NE 3.02Å; D184-R190 IonicContact OD2-NH2 2.79Å; D184-R190 PolarHBondContact OD2-NH2 2.99Å; D184-W196 HydrophobicContact CB-CZ2 4.11Å | ||
| 185 | R | 88.3 | Confident | 93.9 | Very high | 130 Ų | 130 | 74.5 Ų | 74.5 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.3 | -178.6 | -172.7 | 164.2 | -80 | 172.5 | -1.8 | 114.2 | G187 L205 | R185-G187 VanDerWaalsContact C-N 3.28Å; R185-L205 PolarHBondContact NH1-O 3.17Å; R185-L205 PolarHBondContact NH2-O 3.49Å |
| 186 | D | 87.6 | Confident | 93.8 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 75% | 0.754 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 1.5 | 176.2 | -63.6 | -37.1 | 0 | 0 | 0 | 112.2 | D184 | D184-D186 PolarHBondContact O-N 2.93Å; D184-D186 WeakPolarHBondContact OD1-CA 3.13Å; D184-D186 PolarHBondContact OD1-N 3.12Å |
| 187 | G | 90.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 74.1 Ų | 74.1 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 78.3 | 21.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W183 D184 R185 | W183-G187 VanDerWaalsContact CE3-O 3.29Å; W183-G187 WeakPolarHBondContact CZ3-O 3.39Å; D184-G187 PolarHBondContact O-N 2.99Å; D184-G187 PolarHBondContact OD1-N 3.42Å; R185-G187 VanDerWaalsContact C-N 3.28Å |
| 188 | K | 92.1 | Very high | 93.7 | Very high | 111 Ų | 111 | 70.9 Ų | 70.9 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | trans | -93.2 | 134.7 | 173.6 | -178.2 | -179.3 | 172.7 | -159.2 | 0 | 110.2 | D184 R190 | D184-K188 PolarHBondContact N-O 2.95Å; D184-K188 WeakPolarHBondContact OD1-CB 3.36Å; D184-K188 PolarHBondContact OD1-N 2.94Å; D184-K188 WeakPolarHBondContact OD2-CB 3.27Å; K188-R190 VanDerWaalsContact NZ-NH1 3.15Å | ||
| 189 | E | 94.8 | Very high | 93.5 | Very high | 123 Ų | 123 | 75.2 Ų | 75.2 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 132.3 | 175.1 | -170.6 | 174.9 | -157.2 | 0 | 0 | 110.5 | W183 | W183-E189 HydrophobicContact CE3-CB 4.21Å; W183-E189 HydrophobicContact CH2-CB 4.11Å; W183-E189 HydrophobicContact CZ3-CB 3.95Å |
| 190 | R | 95.8 | Very high | 93.5 | Very high | 21 Ų | 21 | 74.1 Ų | 74.1 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.9 | 179.1 | -58.8 | -59.5 | -179.9 | 157.4 | 12.6 | 110 | A178 E181 C182 D184 K188 E194 W196 | A178-R190 HydrophobicContact CB-CB 4.2Å; E181-R190 WeakPolarHBondContact CA-O 3.47Å; C182-R190 PolarHBondContact N-O 2.86Å; C182-R190 VanDerWaalsContact N-O 3.07Å; C182-R190 PolarHBondContact O-N 2.75Å; D184-R190 HydrophobicContact CB-CG 4Å; D184-R190 IonicContact OD2-CZ 3.54Å; D184-R190 IonicContact OD2-NE 3.89Å; D184-R190 PolarHBondContact OD2-NE 3.02Å; D184-R190 IonicContact OD2-NH2 2.79Å; D184-R190 PolarHBondContact OD2-NH2 2.99Å; K188-R190 VanDerWaalsContact NZ-NH1 3.15Å; R190-E194 WeakPolarHBondContact CA-OE2 3.42Å; R190-E194 VanDerWaalsContact CD-OE1 3.3Å; R190-E194 WeakPolarHBondContact CD-OE1 3.4Å; R190-E194 IonicContact CZ-OE1 2.89Å; R190-E194 IonicContact NE-OE1 2.8Å; R190-E194 IonicContact NH1-OE1 2.65Å; R190-E194 PolarHBondContact NH1-OE1 2.83Å; R190-W196 HydrophobicContact CB-CH2 4.28Å; R190-W196 HydrophobicContact CB-CZ3 4.03Å; R190-W196 HydrophobicContact CG-CD2 4.39Å; R190-W196 HydrophobicContact CG-CE3 4.07Å; R190-W196 HydrophobicContact CG-CH2 3.99Å; R190-W196 HydrophobicContact CG-CZ2 4.28Å; R190-W196 HydrophobicContact CG-CZ3 3.87Å |
| 191 | V | 96 | Very high | 93.6 | Very high | 80 Ų | 80 | 73.7 Ų | 73.7 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | trans | -87.9 | 158.6 | 177.2 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | A178 G193 E194 | A178-V191 VanDerWaalsContact CB-O 3.3Å; A178-V191 WeakPolarHBondContact CB-O 3.39Å; V191-G193 PolarHBondContact O-N 2.93Å; V191-E194 HydrophobicContact CG2-CB 3.87Å; V191-E194 PolarHBondContact N-OE2 2.82Å; V191-E194 WeakPolarHBondContact O-CB 3.48Å; V191-E194 PolarHBondContact O-N 2.81Å | ||
| 192 | T | 96 | Very high | 93.7 | Very high | 87 Ų | 87 | 68.4 Ų | 68.4 | 53% | 0.534 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 127.7 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | K180 E181 E194 | K180-T192 WeakPolarHBondContact CA-OG1 3.21Å; E181-T192 PolarHBondContact N-OG1 2.79Å; T192-E194 PolarHBondContact O-N 2.88Å |
| 193 | G | 94.9 | Very high | 93.9 | Very high | 44 Ų | 44 | 69.6 Ų | 69.6 | 45% | 0.454 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 0.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | A178 V191 | A178-G193 PolarHBondContact O-N 3.2Å; V191-G193 PolarHBondContact O-N 2.93Å |
| 194 | E | 95.5 | Very high | 94.1 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | trans | -64.2 | 141.7 | 169.8 | -170.7 | 178.9 | 159.6 | 0 | 0 | 110 | R177 A178 R190 V191 T192 W196 | R177-E194 CarbonylContact C-O 3.58Å; R177-E194 WeakPolarHBondContact CA-O 3.43Å; A178-E194 PolarHBondContact N-O 3.43Å; R190-E194 WeakPolarHBondContact CA-OE2 3.42Å; R190-E194 VanDerWaalsContact CD-OE1 3.3Å; R190-E194 WeakPolarHBondContact CD-OE1 3.4Å; R190-E194 IonicContact CZ-OE1 2.89Å; R190-E194 IonicContact NE-OE1 2.8Å; R190-E194 IonicContact NH1-OE1 2.65Å; R190-E194 PolarHBondContact NH1-OE1 2.83Å; V191-E194 HydrophobicContact CG2-CB 3.87Å; V191-E194 PolarHBondContact N-OE2 2.82Å; V191-E194 WeakPolarHBondContact O-CB 3.48Å; V191-E194 PolarHBondContact O-N 2.81Å; T192-E194 PolarHBondContact O-N 2.88Å; E194-W196 WeakPolarHBondContact O-CZ3 3.39Å | ||
| 195 | E | 95.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 21% | 0.21 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.3 | 177.8 | -70.3 | 177.2 | -171.7 | 0 | 0 | 110.1 | R175 L176 R177 L213 V263 | R175-E195 IonicContact CZ-OE2 2.86Å; R175-E195 IonicContact NE-OE2 2.69Å; R175-E195 PolarHBondContact NE-OE2 2.87Å; R175-E195 IonicContact NH2-OE2 3.81Å; R175-E195 PolarHBondContact NH2-OE2 3.27Å; L176-E195 WeakPolarHBondContact O-CA 3.42Å; R177-E195 HydrophobicContact CB-CG 3.91Å; R177-E195 HydrophobicContact CG-CG 3.95Å; E195-L213 HydrophobicContact CG-CD1 4.14Å; E195-V263 HydrophobicContact CB-CG1 3.58Å; E195-V263 HydrophobicContact CB-CG2 4.37Å |
| 196 | W | 95.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 168.4 | 177.5 | 67.1 | 99.4 | 0 | 0 | 0 | 111.3 | R175 L176 A178 D184 R190 E194 E210 | R175-W196 WeakPolarHBondContact CA-O 3.14Å; L176-W196 HydrophobicContact CB-CD2 4.2Å; L176-W196 HydrophobicContact CB-CH2 4.25Å; L176-W196 HydrophobicContact CB-CZ2 3.83Å; L176-W196 HydrophobicContact CD1-CZ2 3.97Å; L176-W196 PolarHBondContact N-O 2.79Å; L176-W196 PolarHBondContact O-N 2.87Å; L176-W196 VanDerWaalsContact O-N 3.11Å; A178-W196 HydrophobicContact CB-CH2 3.99Å; A178-W196 HydrophobicContact CB-CZ3 3.69Å; D184-W196 HydrophobicContact CB-CZ2 4.11Å; R190-W196 HydrophobicContact CB-CH2 4.28Å; R190-W196 HydrophobicContact CB-CZ3 4.03Å; R190-W196 HydrophobicContact CG-CD2 4.39Å; R190-W196 HydrophobicContact CG-CE3 4.07Å; R190-W196 HydrophobicContact CG-CH2 3.99Å; R190-W196 HydrophobicContact CG-CZ2 4.28Å; R190-W196 HydrophobicContact CG-CZ3 3.87Å; E194-W196 WeakPolarHBondContact O-CZ3 3.39Å; W196-E210 HydrophobicContact CH2-CG 4.15Å; W196-E210 HydrophobicContact CZ2-CG 3.9Å |
| 197 | L | 95.6 | Very high | 95 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.4 | 175.6 | -65 | -174 | 0 | 0 | 0 | 111.7 | A173 L174 R175 V216 V260 P261 V263 | A173-L197 HydrophobicContact CB-CB 4.11Å; A173-L197 HydrophobicContact CB-CD1 4.09Å; A173-L197 HydrophobicContact CB-CD2 4.34Å; A173-L197 HydrophobicContact CB-CG 4.42Å; L174-L197 CarbonylContact O-C 3.51Å; L174-L197 WeakPolarHBondContact O-CA 3.36Å; R175-L197 HydrophobicContact CB-CD2 3.69Å; R175-L197 HydrophobicContact CG-CD2 4Å; L197-V216 HydrophobicContact CD2-CG2 4.03Å; L197-V260 HydrophobicContact CD1-CG1 3.88Å; L197-P261 WeakPolarHBondContact CD1-O 3.46Å; L197-V263 HydrophobicContact CD2-CG2 4.14Å; L197-V263 HydrophobicContact CG-CG2 3.94Å |
| 198 | V | 96.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 9% | 0.085 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.1 | 165.4 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | I168 A173 L174 L176 Y204 | I168-V198 HydrophobicContact CD1-CB 4.32Å; I168-V198 HydrophobicContact CD1-CG1 4.04Å; A173-V198 CarbonylContact C-O 3.59Å; A173-V198 VanDerWaalsContact CA-O 3.23Å; A173-V198 WeakPolarHBondContact CA-O 3.3Å; A173-V198 WeakPolarHBondContact CB-O 3.38Å; L174-V198 HydrophobicContact CB-CB 4.45Å; L174-V198 PolarHBondContact N-O 2.83Å; L174-V198 PolarHBondContact O-N 2.83Å; L176-V198 HydrophobicContact CD1-CG2 3.58Å; L176-V198 HydrophobicContact CG-CG2 4.33Å; V198-Y204 HydrophobicContact CB-CD2 4.44Å; V198-Y204 HydrophobicContact CB-CE2 4.32Å; V198-Y204 HydrophobicContact CG1-CD2 3.68Å; V198-Y204 HydrophobicContact CG1-CE2 3.73Å; V198-Y204 HydrophobicContact CG1-CG 4.46Å; V198-Y204 HydrophobicContact CG2-CE2 3.94Å |
| 199 | T | 93.3 | Very high | 95.3 | Very high | 92 Ų | 92 | 47.8 Ų | 47.8 | 56% | 0.564 | 29% | 0.29 | S | S | * | . | trans | -104.7 | -4 | -176 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | A173 V201 | A173-T199 HydrophobicContact CB-CG2 3.88Å; T199-V201 PolarHBondContact O-N 2.83Å; T199-V201 VanDerWaalsContact O-N 3.13Å | ||
| 200 | T | 93.4 | Very high | 95.3 | Very high | 97 Ų | 97 | 42.4 Ų | 42.4 | 60% | 0.595 | 27% | 0.265 | S | S | * | . | trans | -65.3 | 113.1 | -179.9 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | G202 | T200-G202 PolarHBondContact O-N 3.2Š| ||
| 201 | V | 95.9 | Very high | 95.3 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | trans | -64.4 | 133 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | T199 | T199-V201 PolarHBondContact O-N 2.83Å; T199-V201 VanDerWaalsContact O-N 3.13Å | ||
| 202 | G | 95.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.5 | -166.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I168 T200 Y204 | I168-G202 PolarHBondContact N-O 2.81Å; I168-G202 PolarHBondContact O-N 2.79Å; T200-G202 PolarHBondContact O-N 3.2Å; G202-Y204 PolarHBondContact O-N 2.81Å |
| 203 | A | 95.9 | Very high | 95.4 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | N118 A165 | N118-A203 HydrophobicContact CB-CB 4.37Å; A165-A203 HydrophobicContact CB-CB 3.91Å |
| 204 | Y | 96.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 108.3 | 174.6 | -171.8 | -91.5 | 0 | 0 | 0 | 110.3 | A165 T166 I168 L174 L176 V198 G202 P206 E210 | A165-Y204 CarbonylContact C-O 3.6Å; A165-Y204 VanDerWaalsContact CA-O 3.23Å; A165-Y204 WeakPolarHBondContact CA-O 3.3Å; T166-Y204 PolarHBondContact N-O 3.37Å; T166-Y204 PolarHBondContact O-N 3.06Å; I168-Y204 HydrophobicContact CD1-CG 4.3Å; L174-Y204 HydrophobicContact CD2-CD1 3.5Å; L174-Y204 VanDerWaalsContact CD2-CD1 3.5Å; L174-Y204 HydrophobicContact CD2-CE1 4.28Å; L174-Y204 HydrophobicContact CD2-CG 4Å; L176-Y204 HydrophobicContact CD1-CE1 3.55Å; L176-Y204 HydrophobicContact CD2-CE1 4.28Å; V198-Y204 HydrophobicContact CB-CD2 4.44Å; V198-Y204 HydrophobicContact CB-CE2 4.32Å; V198-Y204 HydrophobicContact CG1-CD2 3.68Å; V198-Y204 HydrophobicContact CG1-CE2 3.73Å; V198-Y204 HydrophobicContact CG1-CG 4.46Å; V198-Y204 HydrophobicContact CG2-CE2 3.94Å; G202-Y204 PolarHBondContact O-N 2.81Å; Y204-P206 HydrophobicContact CD1-CB 4.49Å; Y204-P206 HydrophobicContact CE1-CB 4.17Å; Y204-P206 WeakPolarHBondContact O-CD 3.44Å; Y204-E210 WeakPolarHBondContact CE1-OE2 3.32Å; Y204-E210 VanDerWaalsContact OH-CD 3.26Å; Y204-E210 PolarHBondContact OH-OE1 2.81Å; Y204-E210 VanDerWaalsContact OH-OE1 3.1Å; Y204-E210 PolarHBondContact OH-OE2 3.26Å |
| 205 | L | 95.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | trans | -84.9 | 111.9 | 170.5 | -172.2 | 67.3 | 0 | 0 | 0 | 109 | A120 E146 I163 A165 R185 | A120-L205 HydrophobicContact CB-CD1 4.21Å; A120-L205 HydrophobicContact CB-CD2 3.98Å; A120-L205 HydrophobicContact CB-CG 4.45Å; E146-L205 HydrophobicContact CB-CD2 4.41Å; E146-L205 HydrophobicContact CG-CD2 3.95Å; I163-L205 HydrophobicContact CG2-CD1 4.05Å; A165-L205 HydrophobicContact CB-CB 4.12Å; A165-L205 HydrophobicContact CB-CD1 4.22Å; R185-L205 PolarHBondContact NH1-O 3.17Å; R185-L205 PolarHBondContact NH2-O 3.49Å | ||
| 206 | P | 95.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.045 | 26% | 0.257 | C | S | . | . | trans | -68.7 | 146.8 | -178 | 29.7 | -35.3 | 0 | 0 | 0 | 111.4 | L144 I163 Y204 E210 V212 | L144-P206 VanDerWaalsContact CD1-O 3.25Å; L144-P206 WeakPolarHBondContact CD1-O 3.33Å; I163-P206 HydrophobicContact CG2-CG 3.62Å; Y204-P206 HydrophobicContact CD1-CB 4.49Å; Y204-P206 HydrophobicContact CE1-CB 4.17Å; Y204-P206 WeakPolarHBondContact O-CD 3.44Å; P206-E210 WeakPolarHBondContact CA-OE2 3.43Å; P206-E210 HydrophobicContact CB-CB 4.07Å; P206-V212 HydrophobicContact CB-CG2 3.77Å; P206-V212 HydrophobicContact CG-CG2 3.72Å | ||
| 207 | A | 94.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | trans | -71.9 | 167.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F209 E210 | A207-F209 PolarHBondContact O-N 3.48Å; A207-F209 VanDerWaalsContact O-N 3.12Å; A207-E210 HydrophobicContact CB-CB 4.45Å; A207-E210 HydrophobicContact CB-CG 3.93Å; A207-E210 PolarHBondContact N-OE2 3.42Å; A207-E210 PolarHBondContact O-N 2.95Å | ||
| 208 | V | 94.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -44.1 | -177 | -171.8 | 0 | 0 | 0 | 0 | 113.3 | E142 W143 L144 | E142-V208 HydrophobicContact CB-CG1 3.44Å; E142-V208 VanDerWaalsContact CB-CG1 3.44Å; W143-V208 VanDerWaalsContact CA-CG2 3.49Å; L144-V208 HydrophobicContact CD2-CG2 3.97Å; L144-V208 HydrophobicContact CG-CG2 3.66Å |
| 209 | F | 94.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 47.9 Ų | 47.9 | 23% | 0.232 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 6.3 | -174.5 | -52.2 | -49.4 | 0 | 0 | 0 | 112.8 | E142 R179 K180 C182 A207 | E142-F209 HydrophobicContact CB-CE1 4.15Å; E142-F209 HydrophobicContact CB-CZ 4.38Å; R179-F209 PolarHBondContact N-O 2.91Å; K180-F209 HydrophobicContact CB-CD1 4.42Å; K180-F209 HydrophobicContact CB-CG 4.31Å; K180-F209 HydrophobicContact CD-CD1 4.11Å; K180-F209 HydrophobicContact CD-CE1 4.01Å; K180-F209 HydrophobicContact CG-CD1 4.46Å; C182-F209 HydrophobicContact CB-CB 4.13Å; C182-F209 HydrophobicContact CB-CD2 4.21Å; A207-F209 PolarHBondContact O-N 3.48Å; A207-F209 VanDerWaalsContact O-N 3.12Å |
| 210 | E | 95.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 111.6 | 174.2 | -67 | 180 | 162.7 | 0 | 0 | 109.7 | L176 W196 Y204 P206 A207 | L176-E210 HydrophobicContact CD1-CB 4.44Å; L176-E210 HydrophobicContact CD1-CG 4.43Å; W196-E210 HydrophobicContact CH2-CG 4.15Å; W196-E210 HydrophobicContact CZ2-CG 3.9Å; Y204-E210 WeakPolarHBondContact CE1-OE2 3.32Å; Y204-E210 VanDerWaalsContact OH-CD 3.26Å; Y204-E210 PolarHBondContact OH-OE1 2.81Å; Y204-E210 VanDerWaalsContact OH-OE1 3.1Å; Y204-E210 PolarHBondContact OH-OE2 3.26Å; P206-E210 WeakPolarHBondContact CA-OE2 3.43Å; P206-E210 HydrophobicContact CB-CB 4.07Å; A207-E210 HydrophobicContact CB-CB 4.45Å; A207-E210 HydrophobicContact CB-CG 3.93Å; A207-E210 PolarHBondContact N-OE2 3.42Å; A207-E210 PolarHBondContact O-N 2.95Å |
| 211 | E | 95.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 44 Ų | 44 | 23% | 0.229 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.4 | 171.2 | -174.1 | -177.1 | -176.6 | 0 | 0 | 109.8 | L176 R177 R179 L213 | L176-E211 CarbonylContact C-O 3.46Å; L176-E211 WeakPolarHBondContact CA-O 3.49Å; R177-E211 HydrophobicContact CB-CB 4.3Å; R177-E211 IonicContact CZ-OE1 3.3Å; R177-E211 IonicContact CZ-OE2 3.69Å; R177-E211 PolarHBondContact N-O 3.24Å; R177-E211 IonicContact NE-OE2 2.71Å; R177-E211 PolarHBondContact NE-OE2 2.82Å; R177-E211 IonicContact NH2-OE1 3.9Å; R177-E211 PolarHBondContact NH2-OE1 3.07Å; R177-E211 IonicContact NH2-OE2 3.81Å; R177-E211 PolarHBondContact NH2-OE2 3.03Å; R177-E211 WeakPolarHBondContact O-CB 3.33Å; R177-E211 PolarHBondContact O-N 2.86Å; R179-E211 HydrophobicContact CG-CB 3.96Å; E211-L213 HydrophobicContact CG-CD2 4.28Å |
| 212 | V | 96.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 33% | 0.333 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.1 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | L174 L176 P206 | L174-V212 HydrophobicContact CD1-CG1 3.64Å; L174-V212 HydrophobicContact CD2-CG1 4.46Å; L174-V212 HydrophobicContact CD2-CG2 4.43Å; L174-V212 HydrophobicContact CG-CG1 4.35Å; L176-V212 HydrophobicContact CD2-CB 4.4Å; L176-V212 HydrophobicContact CD2-CG2 3.84Å; P206-V212 HydrophobicContact CB-CG2 3.77Å; P206-V212 HydrophobicContact CG-CG2 3.72Å |
| 213 | L | 96.5 | Very high | 95.6 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -72.5 | 179.5 | -63.2 | -176.6 | 0 | 0 | 0 | 111.9 | R175 R177 E195 E211 | R175-L213 HydrophobicContact CB-CB 4.37Å; R175-L213 HydrophobicContact CG-CB 4.39Å; R175-L213 HydrophobicContact CG-CD1 4.12Å; R175-L213 PolarHBondContact O-N 2.91Å; R177-L213 HydrophobicContact CB-CD1 3.96Å; R177-L213 HydrophobicContact CB-CD2 4.33Å; R177-L213 HydrophobicContact CB-CG 4.14Å; E195-L213 HydrophobicContact CG-CD1 4.14Å; E211-L213 HydrophobicContact CG-CD2 4.28Å |
| 214 | D | 96.5 | Very high | 95.5 | Very high | 73 Ų | 73 | 54 Ų | 54 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 164.1 | -175.9 | 54.4 | 39.8 | 0 | 0 | 0 | 112 | R175 | R175-D214 VanDerWaalsContact CB-OD1 3.27Å; R175-D214 WeakPolarHBondContact CB-OD1 3.23Å; R175-D214 WeakPolarHBondContact CD-OD1 3.46Å; R175-D214 PolarHBondContact N-O 3.35Å |
| 215 | L | 96.8 | Very high | 95.5 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 37% | 0.366 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129 | 166.9 | -76.2 | 167.1 | 0 | 0 | 0 | 108.3 | T166 I168 A173 L174 | T166-L215 HydrophobicContact CG2-CD1 4.23Å; T166-L215 HydrophobicContact CG2-CD2 4.21Å; T166-L215 HydrophobicContact CG2-CG 4.28Å; I168-L215 HydrophobicContact CG1-CD2 4.35Å; A173-L215 CarbonylContact O-C 3.57Å; A173-L215 WeakPolarHBondContact O-CA 3.4Å; L174-L215 HydrophobicContact CB-CD2 4.25Å; L174-L215 HydrophobicContact CD1-CD2 3.8Å; L174-L215 HydrophobicContact CD1-CG 4.18Å |
| 216 | V | 96.7 | Very high | 95.5 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 117 | 178.4 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | Q172 A173 R175 L197 V260 | Q172-V216 CarbonylContact C-O 3.55Å; Q172-V216 VanDerWaalsContact CA-O 3.32Å; Q172-V216 WeakPolarHBondContact CA-O 3.31Å; A173-V216 PolarHBondContact N-O 3Å; A173-V216 PolarHBondContact O-N 2.82Å; R175-V216 HydrophobicContact CB-CG2 4.32Å; L197-V216 HydrophobicContact CD2-CG2 4.03Å; V216-V260 HydrophobicContact CB-CG1 4.05Å; V216-V260 HydrophobicContact CG1-CG1 3.77Å |
| 217 | D | 96.3 | Very high | 95.6 | Very high | 104 Ų | 104 | 54.1 Ų | 54.1 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 143.7 | 174.2 | -67.8 | -46.4 | 0 | 0 | 0 | 111.1 | Q172 | Q172-D217 WeakPolarHBondContact CG-OD1 3.49Å; Q172-D217 PolarHBondContact NE2-OD1 2.93Å |
| 218 | A | 95.8 | Very high | 95.7 | Very high | 15 Ų | 15 | 53.8 Ų | 53.8 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 140.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N171 I220 A258 H259 V260 | N171-A218 HydrophobicContact CB-CB 3.84Å; N171-A218 WeakPolarHBondContact O-CB 3.34Å; N171-A218 PolarHBondContact O-N 2.78Å; A218-I220 PolarHBondContact O-N 3.02Å; A218-A258 HydrophobicContact CB-CB 3.93Å; A218-H259 CarbonylContact C-O 3.57Å; A218-H259 WeakPolarHBondContact CA-O 3.38Å; A218-V260 HydrophobicContact CB-CG2 3.55Å |
| 219 | V | 95.2 | Very high | 95.9 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 119.4 | 166.3 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | L221 L227 H259 P261 V270 | V219-L221 HydrophobicContact CG1-CD2 4.06Å; V219-L227 HydrophobicContact CB-CD1 4.35Å; V219-L227 HydrophobicContact CB-CD2 4.22Å; V219-L227 HydrophobicContact CG1-CD1 4.15Å; V219-L227 HydrophobicContact CG2-CD1 4.13Å; V219-L227 HydrophobicContact CG2-CD2 4.26Å; V219-H259 PolarHBondContact N-O 3.24Å; V219-H259 PolarHBondContact O-N 2.81Å; V219-P261 HydrophobicContact CG2-CG 4.34Å; V219-V270 HydrophobicContact CG1-CG2 4.46Å |
| 220 | I | 94.9 | Very high | 96 | Very high | 100 Ų | 100 | 54.1 Ų | 54.1 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.1 | 176.8 | -51 | -55.6 | 0 | 0 | 0 | 109.4 | A218 A258 | A218-I220 PolarHBondContact O-N 3.02Å; I220-A258 HydrophobicContact CD1-CB 3.71Å |
| 221 | L | 94.5 | Very high | 96 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 150 | -179.1 | -54.9 | -179 | 0 | 0 | 0 | 110.7 | V219 L227 V251 V253 E257 H259 | V219-L221 HydrophobicContact CG1-CD2 4.06Å; L221-L227 HydrophobicContact CD1-CB 4.45Å; L221-L227 HydrophobicContact CD2-CB 3.85Å; L221-V251 HydrophobicContact CD1-CB 4.24Å; L221-V251 HydrophobicContact CD1-CG1 3.78Å; L221-V253 HydrophobicContact CB-CB 4.5Å; L221-E257 PolarHBondContact N-O 3.03Å; L221-H259 HydrophobicContact CD1-CB 4.42Å |
| 222 | T | 95.1 | Very high | 96 | Very high | 66 Ų | 66 | 57.3 Ų | 57.3 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -130.8 | 170.5 | 178.5 | 68.6 | 0 | 0 | 0 | 0 | 109.1 | K224 T225 | T222-K224 PolarHBondContact O-N 2.69Å; T222-K224 PolarHBondContact OG1-N 2.9Å; T222-T225 PolarHBondContact N-OG1 3.18Å; T222-T225 PolarHBondContact O-N 2.82Å; T222-T225 VanDerWaalsContact O-N 3.11Å; T222-T225 PolarHBondContact OG1-N 3.31Å; T222-T225 PolarHBondContact OG1-OG1 2.67Å |
| 223 | E | 94.1 | Very high | 95.9 | Very high | 159 Ų | 159 | 62.9 Ų | 62.9 | 74% | 0.743 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.6 | 171.7 | -62.2 | -178.1 | 170.8 | 0 | 0 | 113.4 | V253 I273 | E223-V253 HydrophobicContact CG-CG1 4.24Å; E223-I273 VanDerWaalsContact O-CD1 3.32Å; E223-I273 WeakPolarHBondContact O-CD1 3.39Å |
| 224 | K | 94.9 | Very high | 95.8 | Very high | 150 Ų | 150 | 65.7 Ų | 65.7 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -3.5 | -177.8 | -60.5 | -177.5 | -178.5 | 178.1 | 0 | 113.9 | T222 I273 | T222-K224 PolarHBondContact O-N 2.69Å; T222-K224 PolarHBondContact OG1-N 2.9Å; K224-I273 HydrophobicContact CB-CG2 3.9Å; K224-I273 HydrophobicContact CG-CG2 4.09Å; K224-I273 PolarHBondContact O-N 3.08Å |
| 225 | T | 95.9 | Very high | 95.7 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.4 | -175 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | T222 V270 | T222-T225 PolarHBondContact N-OG1 3.18Å; T222-T225 PolarHBondContact O-N 2.82Å; T222-T225 VanDerWaalsContact O-N 3.11Å; T222-T225 PolarHBondContact OG1-N 3.31Å; T222-T225 PolarHBondContact OG1-OG1 2.67Å; T225-V270 HydrophobicContact CG2-CG1 3.93Å |
| 226 | A | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L250 V251 T252 V270 V271 F309 | A226-L250 HydrophobicContact CB-CB 4.35Å; A226-L250 HydrophobicContact CB-CD1 4.35Å; A226-V251 CarbonylContact C-O 3.59Å; A226-V251 VanDerWaalsContact CA-O 3.32Å; A226-V251 WeakPolarHBondContact CA-O 3.43Å; A226-T252 HydrophobicContact CB-CG2 4.07Å; A226-V270 CarbonylContact O-C 3.54Å; A226-V270 WeakPolarHBondContact O-CA 3.33Å; A226-V271 PolarHBondContact N-O 3.33Å; A226-V271 PolarHBondContact O-N 3.05Å; A226-F309 HydrophobicContact CB-CB 4.43Å; A226-F309 HydrophobicContact CB-CD1 3.6Å; A226-F309 HydrophobicContact CB-CD2 4.06Å; A226-F309 HydrophobicContact CB-CE1 3.74Å; A226-F309 HydrophobicContact CB-CE2 4.2Å; A226-F309 HydrophobicContact CB-CG 3.77Å; A226-F309 HydrophobicContact CB-CZ 4.04Å |
| 227 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.2 | 176.9 | -175.4 | 62.7 | 0 | 0 | 0 | 110 | V219 L221 L229 L250 V251 H259 V267 V270 | V219-L227 HydrophobicContact CB-CD1 4.35Å; V219-L227 HydrophobicContact CB-CD2 4.22Å; V219-L227 HydrophobicContact CG1-CD1 4.15Å; V219-L227 HydrophobicContact CG2-CD1 4.13Å; V219-L227 HydrophobicContact CG2-CD2 4.26Å; L221-L227 HydrophobicContact CD1-CB 4.45Å; L221-L227 HydrophobicContact CD2-CB 3.85Å; L227-L229 HydrophobicContact CD1-CD2 4.42Å; L227-L229 HydrophobicContact CD2-CD1 4.21Å; L227-L229 HydrophobicContact CD2-CD2 3.75Å; L227-L229 HydrophobicContact CD2-CG 4.11Å; L227-L229 HydrophobicContact CG-CD2 3.73Å; L227-L229 HydrophobicContact CG-CG 3.97Å; L227-L250 CarbonylContact O-C 3.52Å; L227-L250 VanDerWaalsContact O-CA 3.27Å; L227-L250 WeakPolarHBondContact O-CA 3.3Å; L227-V251 HydrophobicContact CB-CB 4.27Å; L227-V251 PolarHBondContact N-O 2.91Å; L227-V251 PolarHBondContact O-N 2.86Å; L227-H259 HydrophobicContact CD2-CB 4.05Å; L227-H259 VanDerWaalsContact CD2-CD2 3.45Å; L227-H259 WeakPolarHBondContact CD2-CD2 3.07Å; L227-V267 HydrophobicContact CD1-CG1 3.7Å; L227-V267 HydrophobicContact CD1-CG2 4.48Å; L227-V270 HydrophobicContact CD1-CG2 4.39Å |
| 228 | H | 97.1 | Very high | 94.9 | Very high | 33 Ų | 33 | 67.3 Ų | 67.3 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.5 | 176.2 | -176.6 | -168.7 | 0 | 0 | 0 | 109.9 | E248 L250 L268 G269 V271 | H228-E248 IonicContact CE1-OE2 3.66Å; H228-E248 PolarHBondContact CE1-OE2 2.87Å; H228-E248 VanDerWaalsContact CE1-OE2 3.26Å; H228-E248 IonicContact NE2-OE2 3.73Å; H228-E248 PolarHBondContact NE2-OE2 2.91Å; H228-L250 HydrophobicContact CB-CD2 3.74Å; H228-L268 HydrophobicContact CB-CB 4.45Å; H228-L268 PolarHBondContact O-N 2.98Å; H228-G269 PolarHBondContact N-O 3.45Å; H228-V271 HydrophobicContact CB-CG2 3.91Å |
| 229 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 152.5 | -177 | -62.4 | 179.9 | 0 | 0 | 0 | 111.1 | L227 E248 W249 V251 E265 E266 V267 | L227-L229 HydrophobicContact CD1-CD2 4.42Å; L227-L229 HydrophobicContact CD2-CD1 4.21Å; L227-L229 HydrophobicContact CD2-CD2 3.75Å; L227-L229 HydrophobicContact CD2-CG 4.11Å; L227-L229 HydrophobicContact CG-CD2 3.73Å; L227-L229 HydrophobicContact CG-CG 3.97Å; L229-E248 CarbonylContact O-C 3.5Å; L229-E248 WeakPolarHBondContact O-CA 3.42Å; L229-W249 HydrophobicContact CB-CD2 4.24Å; L229-W249 HydrophobicContact CB-CH2 4.21Å; L229-W249 HydrophobicContact CB-CZ2 3.72Å; L229-W249 HydrophobicContact CD1-CZ2 3.97Å; L229-W249 PolarHBondContact N-O 2.8Å; L229-W249 PolarHBondContact O-N 2.95Å; L229-V251 HydrophobicContact CD1-CG2 3.65Å; L229-V251 HydrophobicContact CG-CG2 4.46Å; L229-E265 HydrophobicContact CD1-CB 4.47Å; L229-E265 HydrophobicContact CD1-CG 4.38Å; L229-E265 HydrophobicContact CD2-CB 4.46Å; L229-E266 CarbonylContact C-O 3.57Å; L229-E266 WeakPolarHBondContact CA-O 3.17Å; L229-V267 HydrophobicContact CD2-CB 4.35Å; L229-V267 HydrophobicContact CD2-CG2 3.77Å |
| 230 | R | 96.8 | Very high | 94.3 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.8 | 170.1 | -177.8 | 169.5 | 67.4 | -170.1 | 2.3 | 110.8 | E247 E248 E266 L268 | R230-E247 WeakPolarHBondContact CA-O 3.33Å; R230-E248 HydrophobicContact CB-CG 3.98Å; R230-E248 HydrophobicContact CG-CG 3.93Å; R230-E266 HydrophobicContact CB-CB 4.33Å; R230-E266 IonicContact CZ-OE1 2.79Å; R230-E266 IonicContact CZ-OE2 3.96Å; R230-E266 PolarHBondContact N-O 2.8Å; R230-E266 IonicContact NE-OE2 2.67Å; R230-E266 PolarHBondContact NE-OE2 2.88Å; R230-E266 IonicContact NH2-OE1 3.2Å; R230-E266 PolarHBondContact NH2-OE1 2.99Å; R230-E266 IonicContact NH2-OE2 3.1Å; R230-E266 PolarHBondContact NH2-OE2 3.07Å; R230-E266 PolarHBondContact O-N 2.85Å; R230-L268 HydrophobicContact CB-CD1 3.87Å; R230-L268 HydrophobicContact CB-CD2 4.45Å; R230-L268 HydrophobicContact CB-CG 4.07Å |
| 231 | A | 96.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 122.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F235 R243 R244 G246 E247 W249 | A231-F235 HydrophobicContact CB-CD1 4.41Å; A231-F235 HydrophobicContact CB-CE1 3.92Å; A231-R243 HydrophobicContact CB-CB 4.08Å; A231-R244 WeakPolarHBondContact CB-O 3.31Å; A231-G246 PolarHBondContact O-N 3.02Å; A231-E247 PolarHBondContact N-O 2.88Å; A231-W249 HydrophobicContact CB-CH2 3.93Å; A231-W249 HydrophobicContact CB-CZ3 3.63Å; A231-W249 VanDerWaalsContact N-CZ3 3.35Å |
| 232 | R | 95.3 | Very high | 94.2 | Very high | 124 Ų | 124 | 71.5 Ų | 71.5 | 47% | 0.468 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -77.6 | -27.4 | 173.5 | -67.9 | -178.8 | 165.6 | 174.5 | -1 | 112.8 | T245 H264 E266 | R232-T245 WeakPolarHBondContact O-CG2 3.39Å; R232-H264 WeakPolarHBondContact CB-O 3.36Å; R232-H264 PolarHBondContact N-O 2.93Å; R232-E266 HydrophobicContact CG-CB 4.04Å |
| 233 | R | 93.7 | Very high | 94.2 | Very high | 172 Ų | 172 | 70 Ų | 70 | 65% | 0.649 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -146.2 | 169.9 | -179.2 | -64.9 | -171 | 174 | -176.2 | -0.3 | 109.8 | F235 T245 | R233-F235 WeakPolarHBondContact O-CD1 3.29Å; R233-F235 PolarHBondContact O-N 2.86Å; R233-T245 VanDerWaalsContact CA-OG1 3.32Å; R233-T245 WeakPolarHBondContact CA-OG1 3.46Å |
| 234 | N | 95.3 | Very high | 94.3 | Very high | 117 Ų | 117 | 71.3 Ų | 71.3 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -70.6 | 121.4 | 168.9 | -62.7 | -14.4 | 0 | 0 | 0 | 109.1 | R243 R244 T245 | N234-R243 VanDerWaalsContact CA-O 3.29Å; N234-R243 WeakPolarHBondContact CA-O 3.48Å; N234-R244 VanDerWaalsContact OD1-CA 3.25Å; N234-R244 WeakPolarHBondContact OD1-CA 3.08Å; N234-T245 PolarHBondContact N-OG1 3.09Å; N234-T245 PolarHBondContact OD1-N 2.91Å; N234-T245 PolarHBondContact OD1-OG1 2.84Å |
| 235 | F | 94.6 | Very high | 94.4 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 178 | 178.1 | 79.7 | -68.2 | 0 | 0 | 0 | 110.5 | A231 R233 D237 R243 W249 H264 E265 | A231-F235 HydrophobicContact CB-CD1 4.41Å; A231-F235 HydrophobicContact CB-CE1 3.92Å; R233-F235 WeakPolarHBondContact O-CD1 3.29Å; R233-F235 PolarHBondContact O-N 2.86Å; F235-D237 HydrophobicContact CE2-CB 4.15Å; F235-D237 HydrophobicContact CZ-CB 4.39Å; F235-R243 HydrophobicContact CD1-CB 4.07Å; F235-R243 HydrophobicContact CE1-CB 3.76Å; F235-R243 HydrophobicContact CE1-CG 4.13Å; F235-R243 HydrophobicContact CZ-CB 4.44Å; F235-R243 HydrophobicContact CZ-CG 4.33Å; F235-R243 PolarHBondContact N-O 2.85Å; F235-R243 VanDerWaalsContact N-O 3.11Å; F235-R243 PolarHBondContact O-N 3.47Å; F235-W249 AromaticContact CE1-CH2 3.91Å; F235-W249 HydrophobicContact CE1-CH2 3.91Å; F235-W249 AromaticContact CZ-CH2 3.91Å; F235-W249 HydrophobicContact CZ-CH2 3.91Å; F235-W249 HydrophobicContact CZ-CZ2 4.12Å; F235-H264 HydrophobicContact CB-CB 4.26Å; F235-H264 HydrophobicContact CD1-CB 3.78Å; F235-H264 HydrophobicContact CD2-CB 4.04Å; F235-H264 HydrophobicContact CE1-CB 4.11Å; F235-H264 HydrophobicContact CE2-CB 4.36Å; F235-H264 HydrophobicContact CG-CB 3.76Å; F235-H264 HydrophobicContact CZ-CB 4.41Å; F235-E265 HydrophobicContact CE1-CG 4.31Å; F235-E265 HydrophobicContact CE2-CG 4.03Å; F235-E265 HydrophobicContact CZ-CG 3.46Å; F235-E265 VanDerWaalsContact CZ-CG 3.46Å |
| 236 | R | 93.9 | Very high | 94.3 | Very high | 171 Ų | 171 | 68.9 Ų | 68.9 | 65% | 0.645 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.8 | 174.7 | -161.1 | 179.3 | -169.6 | -160.6 | -7.8 | 108 | G240 V241 | R236-G240 VanDerWaalsContact CZ-O 3.28Å; R236-G240 VanDerWaalsContact NE-C 3.27Å; R236-G240 PolarHBondContact NE-O 3.28Å; R236-G240 PolarHBondContact NH2-O 2.87Å; R236-V241 WeakPolarHBondContact CA-O 3.5Å |
| 237 | D | 90.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | trans | -70.4 | 173.4 | -179.1 | 75.8 | 8.2 | 0 | 0 | 0 | 112.1 | F235 R239 G240 V241 R243 | F235-D237 HydrophobicContact CE2-CB 4.15Å; F235-D237 HydrophobicContact CZ-CB 4.39Å; D237-R239 PolarHBondContact O-N 3.03Å; D237-R239 VanDerWaalsContact O-N 3.11Å; D237-R239 WeakPolarHBondContact OD1-CA 3.12Å; D237-R239 WeakPolarHBondContact OD1-CB 3.29Å; D237-R239 PolarHBondContact OD1-N 2.91Å; D237-R239 IonicContact OD2-CZ 2.87Å; D237-R239 IonicContact OD2-NE 3.89Å; D237-R239 PolarHBondContact OD2-NE 3.21Å; D237-R239 IonicContact OD2-NH2 2.59Å; D237-R239 PolarHBondContact OD2-NH2 2.8Å; D237-G240 PolarHBondContact O-N 2.98Å; D237-G240 PolarHBondContact OD1-N 2.85Å; D237-G240 VanDerWaalsContact OD1-N 3.12Å; D237-V241 PolarHBondContact N-O 2.88Å; D237-V241 WeakPolarHBondContact OD1-CB 3.47Å; D237-V241 PolarHBondContact OD1-N 3.18Å; D237-R243 HydrophobicContact CB-CG 4.47Å; D237-R243 IonicContact OD2-NE 2.75Å; D237-R243 IonicContact OD2-NH2 3.71Å | ||
| 238 | F | 87.3 | Confident | 94.1 | Very high | 107 Ų | 107 | 75.3 Ų | 75.3 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.6 | -178.8 | 76.3 | -84.9 | 0 | 0 | 0 | 114 | G240 V251 D255 T256 H259 | F238-G240 VanDerWaalsContact C-N 3.33Å; F238-V251 HydrophobicContact CE1-CG1 4.45Å; F238-V251 HydrophobicContact CZ-CG1 4.44Å; F238-D255 HydrophobicContact CZ-CB 4.3Å; F238-T256 HydrophobicContact CE2-CG2 4.32Å; F238-T256 HydrophobicContact CZ-CG2 3.79Å; F238-H259 AromaticContact CD1-CE1 3.54Å; F238-H259 AromaticContact CD1-ND1 3.8Å; F238-H259 AromaticContact CE1-CE1 3.44Å; F238-H259 VanDerWaalsContact CE1-CE1 3.44Å; F238-H259 WeakPolarHBondContact CE1-CE1 3.4Å; F238-H259 AromaticContact CE1-ND1 3.33Å; F238-H259 VanDerWaalsContact CE1-ND1 3.33Å; F238-H259 WeakPolarHBondContact CE1-ND1 3.47Å |
| 239 | R | 88.9 | Confident | 94 | Very high | 77 Ų | 77 | 74.1 Ų | 74.1 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6 | 175.2 | -63.9 | 174.3 | -67.6 | -118.5 | -16.8 | 112.6 | D237 V241 D255 | D237-R239 PolarHBondContact O-N 3.03Å; D237-R239 VanDerWaalsContact O-N 3.11Å; D237-R239 WeakPolarHBondContact OD1-CA 3.12Å; D237-R239 WeakPolarHBondContact OD1-CB 3.29Å; D237-R239 PolarHBondContact OD1-N 2.91Å; D237-R239 IonicContact OD2-CZ 2.87Å; D237-R239 IonicContact OD2-NE 3.89Å; D237-R239 PolarHBondContact OD2-NE 3.21Å; D237-R239 IonicContact OD2-NH2 2.59Å; D237-R239 PolarHBondContact OD2-NH2 2.8Å; R239-V241 HydrophobicContact CB-CG2 4.35Å; R239-D255 WeakPolarHBondContact CD-OD1 3.31Å; R239-D255 IonicContact CZ-OD1 2.78Å; R239-D255 IonicContact NE-OD1 3.18Å; R239-D255 VanDerWaalsContact NH1-CB 3.28Å; R239-D255 IonicContact NH1-OD1 2.74Å; R239-D255 PolarHBondContact NH1-OD1 2.86Å; R239-D255 IonicContact NH1-OD2 2.7Å; R239-D255 PolarHBondContact NH1-OD2 2.65Å |
| 240 | G | 90.5 | Very high | 94 | Very high | 23 Ų | 23 | 75 Ų | 75 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 85 | 19.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | R236 D237 F238 | R236-G240 VanDerWaalsContact CZ-O 3.28Å; R236-G240 VanDerWaalsContact NE-C 3.27Å; R236-G240 PolarHBondContact NE-O 3.28Å; R236-G240 PolarHBondContact NH2-O 2.87Å; D237-G240 PolarHBondContact O-N 2.98Å; D237-G240 PolarHBondContact OD1-N 2.85Å; D237-G240 VanDerWaalsContact OD1-N 3.12Å; F238-G240 VanDerWaalsContact C-N 3.33Å |
| 241 | V | 92.6 | Very high | 94 | Very high | 61 Ų | 61 | 71.1 Ų | 71.1 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | trans | -90.7 | 129.5 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | R236 D237 R239 R243 | R236-V241 WeakPolarHBondContact CA-O 3.5Å; D237-V241 PolarHBondContact N-O 2.88Å; D237-V241 WeakPolarHBondContact OD1-CB 3.47Å; D237-V241 PolarHBondContact OD1-N 3.18Å; R239-V241 HydrophobicContact CB-CG2 4.35Å; V241-R243 PolarHBondContact O-N 2.84Å | ||
| 242 | S | 95.1 | Very high | 93.9 | Very high | 91 Ų | 91 | 72.1 Ų | 72.1 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 121.3 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 243 | R | 94.9 | Very high | 94 | Very high | 34 Ų | 34 | 68.5 Ų | 68.5 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 139.3 | 177.9 | -58.2 | -59.4 | -179.6 | 173.2 | 2.7 | 110.5 | A231 N234 F235 D237 V241 E247 W249 | A231-R243 HydrophobicContact CB-CB 4.08Å; N234-R243 VanDerWaalsContact CA-O 3.29Å; N234-R243 WeakPolarHBondContact CA-O 3.48Å; F235-R243 HydrophobicContact CD1-CB 4.07Å; F235-R243 HydrophobicContact CE1-CB 3.76Å; F235-R243 HydrophobicContact CE1-CG 4.13Å; F235-R243 HydrophobicContact CZ-CB 4.44Å; F235-R243 HydrophobicContact CZ-CG 4.33Å; F235-R243 PolarHBondContact N-O 2.85Å; F235-R243 VanDerWaalsContact N-O 3.11Å; F235-R243 PolarHBondContact O-N 3.47Å; D237-R243 HydrophobicContact CB-CG 4.47Å; D237-R243 IonicContact OD2-NE 2.75Å; D237-R243 IonicContact OD2-NH2 3.71Å; V241-R243 PolarHBondContact O-N 2.84Å; R243-E247 WeakPolarHBondContact CA-OE2 3.4Å; R243-E247 WeakPolarHBondContact CD-OE1 3.47Å; R243-E247 IonicContact CZ-OE1 3.32Å; R243-E247 IonicContact NH1-OE1 3.68Å; R243-E247 PolarHBondContact NH1-OE1 3.05Å; R243-W249 HydrophobicContact CB-CH2 4.3Å; R243-W249 HydrophobicContact CB-CZ3 4.12Å; R243-W249 HydrophobicContact CG-CE3 4.22Å; R243-W249 HydrophobicContact CG-CH2 3.93Å; R243-W249 HydrophobicContact CG-CZ2 4.23Å; R243-W249 HydrophobicContact CG-CZ3 3.91Å |
| 244 | R | 95.1 | Very high | 94 | Very high | 187 Ų | 187 | 69 Ų | 69 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | trans | -99.9 | 152.2 | 175.3 | -57.3 | -175.7 | -162 | -169.2 | 3.7 | 111.2 | A231 N234 G246 E247 | A231-R244 WeakPolarHBondContact CB-O 3.31Å; N234-R244 VanDerWaalsContact OD1-CA 3.25Å; N234-R244 WeakPolarHBondContact OD1-CA 3.08Å; R244-G246 PolarHBondContact O-N 2.82Å; R244-E247 PolarHBondContact N-OE2 2.91Å; R244-E247 WeakPolarHBondContact O-CB 3.42Å; R244-E247 PolarHBondContact O-N 3.06Å | ||
| 245 | T | 96.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 66.5 Ų | 66.5 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 128.4 | 176.3 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | R232 R233 N234 E247 | R232-T245 WeakPolarHBondContact O-CG2 3.39Å; R233-T245 VanDerWaalsContact CA-OG1 3.32Å; R233-T245 WeakPolarHBondContact CA-OG1 3.46Å; N234-T245 PolarHBondContact N-OG1 3.09Å; N234-T245 PolarHBondContact OD1-N 2.91Å; N234-T245 PolarHBondContact OD1-OG1 2.84Å; T245-E247 PolarHBondContact O-N 3.34Å |
| 246 | G | 94.1 | Very high | 93.9 | Very high | 46 Ų | 46 | 67 Ų | 67 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -6.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A231 R244 | A231-G246 PolarHBondContact O-N 3.02Å; R244-G246 PolarHBondContact O-N 2.82Å |
| 247 | E | 94.4 | Very high | 93.9 | Very high | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | trans | -64.7 | 139.1 | 170.6 | -169.1 | -175.5 | 148.6 | 0 | 0 | 109.8 | R230 A231 R243 R244 T245 W249 | R230-E247 WeakPolarHBondContact CA-O 3.33Å; A231-E247 PolarHBondContact N-O 2.88Å; R243-E247 WeakPolarHBondContact CA-OE2 3.4Å; R243-E247 WeakPolarHBondContact CD-OE1 3.47Å; R243-E247 IonicContact CZ-OE1 3.32Å; R243-E247 IonicContact NH1-OE1 3.68Å; R243-E247 PolarHBondContact NH1-OE1 3.05Å; R244-E247 PolarHBondContact N-OE2 2.91Å; R244-E247 WeakPolarHBondContact O-CB 3.42Å; R244-E247 PolarHBondContact O-N 3.06Å; T245-E247 PolarHBondContact O-N 3.34Å; E247-W249 VanDerWaalsContact O-CZ3 3.32Å; E247-W249 WeakPolarHBondContact O-CZ3 3.33Å | ||
| 248 | E | 95.6 | Very high | 94 | Very high | 70 Ų | 70 | 66.8 Ų | 66.8 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143 | 178.6 | -62.5 | -175.2 | -173.1 | 0 | 0 | 109.9 | H228 L229 R230 L268 P312 | H228-E248 IonicContact CE1-OE2 3.66Å; H228-E248 PolarHBondContact CE1-OE2 2.87Å; H228-E248 VanDerWaalsContact CE1-OE2 3.26Å; H228-E248 IonicContact NE2-OE2 3.73Å; H228-E248 PolarHBondContact NE2-OE2 2.91Å; L229-E248 CarbonylContact O-C 3.5Å; L229-E248 WeakPolarHBondContact O-CA 3.42Å; R230-E248 HydrophobicContact CB-CG 3.98Å; R230-E248 HydrophobicContact CG-CG 3.93Å; E248-L268 HydrophobicContact CG-CD1 4.14Å; E248-P312 HydrophobicContact CB-CB 3.58Å; E248-P312 HydrophobicContact CB-CG 3.91Å |
| 249 | W | 95.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 62 Ų | 62 | 3% | 0.034 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 169.5 | 177.5 | 66.8 | 95.6 | 0 | 0 | 0 | 111.4 | L229 A231 F235 R243 E247 E265 | L229-W249 HydrophobicContact CB-CD2 4.24Å; L229-W249 HydrophobicContact CB-CH2 4.21Å; L229-W249 HydrophobicContact CB-CZ2 3.72Å; L229-W249 HydrophobicContact CD1-CZ2 3.97Å; L229-W249 PolarHBondContact N-O 2.8Å; L229-W249 PolarHBondContact O-N 2.95Å; A231-W249 HydrophobicContact CB-CH2 3.93Å; A231-W249 HydrophobicContact CB-CZ3 3.63Å; A231-W249 VanDerWaalsContact N-CZ3 3.35Å; F235-W249 AromaticContact CE1-CH2 3.91Å; F235-W249 HydrophobicContact CE1-CH2 3.91Å; F235-W249 AromaticContact CZ-CH2 3.91Å; F235-W249 HydrophobicContact CZ-CH2 3.91Å; F235-W249 HydrophobicContact CZ-CZ2 4.12Å; R243-W249 HydrophobicContact CB-CH2 4.3Å; R243-W249 HydrophobicContact CB-CZ3 4.12Å; R243-W249 HydrophobicContact CG-CE3 4.22Å; R243-W249 HydrophobicContact CG-CH2 3.93Å; R243-W249 HydrophobicContact CG-CZ2 4.23Å; R243-W249 HydrophobicContact CG-CZ3 3.91Å; E247-W249 VanDerWaalsContact O-CZ3 3.32Å; E247-W249 WeakPolarHBondContact O-CZ3 3.33Å; W249-E265 HydrophobicContact CH2-CG 4.26Å; W249-E265 HydrophobicContact CZ2-CG 4.02Å |
| 250 | L | 96.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.9 | 172 | -59.4 | -177.5 | 0 | 0 | 0 | 110.9 | A226 L227 H228 V271 F309 L310 P312 | A226-L250 HydrophobicContact CB-CB 4.35Å; A226-L250 HydrophobicContact CB-CD1 4.35Å; L227-L250 CarbonylContact O-C 3.52Å; L227-L250 VanDerWaalsContact O-CA 3.27Å; L227-L250 WeakPolarHBondContact O-CA 3.3Å; H228-L250 HydrophobicContact CB-CD2 3.74Å; L250-V271 HydrophobicContact CD2-CG2 3.97Å; L250-F309 HydrophobicContact CD1-CB 3.66Å; L250-L310 WeakPolarHBondContact CD1-O 3.48Å; L250-P312 HydrophobicContact CD2-CG 4.45Å; L250-P312 HydrophobicContact CG-CG 4.47Å |
| 251 | V | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.3 | 163.8 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | L221 A226 L227 L229 F238 D255 T256 H259 | L221-V251 HydrophobicContact CD1-CB 4.24Å; L221-V251 HydrophobicContact CD1-CG1 3.78Å; A226-V251 CarbonylContact C-O 3.59Å; A226-V251 VanDerWaalsContact CA-O 3.32Å; A226-V251 WeakPolarHBondContact CA-O 3.43Å; L227-V251 HydrophobicContact CB-CB 4.27Å; L227-V251 PolarHBondContact N-O 2.91Å; L227-V251 PolarHBondContact O-N 2.86Å; L229-V251 HydrophobicContact CD1-CG2 3.65Å; L229-V251 HydrophobicContact CG-CG2 4.46Å; F238-V251 HydrophobicContact CE1-CG1 4.45Å; F238-V251 HydrophobicContact CZ-CG1 4.44Å; V251-D255 HydrophobicContact CG1-CB 3.97Å; V251-T256 HydrophobicContact CG1-CG2 3.88Å; V251-H259 HydrophobicContact CG1-CB 4.37Å |
| 252 | T | 95.9 | Very high | 95.1 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | trans | -120.1 | 169.9 | -176.7 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | A226 Q254 D255 T256 F309 | A226-T252 HydrophobicContact CB-CG2 4.07Å; T252-Q254 PolarHBondContact O-N 2.88Å; T252-Q254 VanDerWaalsContact O-N 3.13Å; T252-Q254 PolarHBondContact OG1-N 2.8Å; T252-D255 PolarHBondContact N-OD2 2.95Å; T252-D255 WeakPolarHBondContact O-CB 3.2Å; T252-D255 PolarHBondContact O-N 2.89Å; T252-D255 PolarHBondContact OG1-OD2 3.2Å; T252-T256 PolarHBondContact O-N 2.98Å; T252-F309 HydrophobicContact CG2-CD2 4.11Å; T252-F309 HydrophobicContact CG2-CE2 4.15Å | ||
| 253 | V | 96.2 | Very high | 95 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.3 | 175.1 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | L221 E223 D255 T256 E257 | L221-V253 HydrophobicContact CB-CB 4.5Å; E223-V253 HydrophobicContact CG-CG1 4.24Å; V253-D255 PolarHBondContact O-N 2.71Å; V253-T256 WeakPolarHBondContact CA-O 3.46Å; V253-E257 HydrophobicContact CG2-CG 4.27Å |
| 254 | Q | 93.9 | Very high | 95.1 | Very high | 182 Ų | 182 | 56.7 Ų | 56.7 | 85% | 0.85 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -23.4 | 174.7 | -62.9 | -177.9 | -6 | 0 | 0 | 112.4 | T252 | T252-Q254 PolarHBondContact O-N 2.88Å; T252-Q254 VanDerWaalsContact O-N 3.13Å; T252-Q254 PolarHBondContact OG1-N 2.8Å |
| 255 | D | 93.3 | Very high | 95.1 | Very high | 65 Ų | 65 | 48.2 Ų | 48.2 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -51.2 | 177.7 | -58.4 | -78.2 | 0 | 0 | 0 | 111.5 | F238 R239 V251 T252 V253 | F238-D255 HydrophobicContact CZ-CB 4.3Å; R239-D255 WeakPolarHBondContact CD-OD1 3.31Å; R239-D255 IonicContact CZ-OD1 2.78Å; R239-D255 IonicContact NE-OD1 3.18Å; R239-D255 VanDerWaalsContact NH1-CB 3.28Å; R239-D255 IonicContact NH1-OD1 2.74Å; R239-D255 PolarHBondContact NH1-OD1 2.86Å; R239-D255 IonicContact NH1-OD2 2.7Å; R239-D255 PolarHBondContact NH1-OD2 2.65Å; V251-D255 HydrophobicContact CG1-CB 3.97Å; T252-D255 PolarHBondContact N-OD2 2.95Å; T252-D255 WeakPolarHBondContact O-CB 3.2Å; T252-D255 PolarHBondContact O-N 2.89Å; T252-D255 PolarHBondContact OG1-OD2 3.2Å; V253-D255 PolarHBondContact O-N 2.71Å |
| 256 | T | 93.8 | Very high | 95.1 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | trans | -160.1 | 144.2 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 110 | F238 V251 T252 V253 A258 H259 | F238-T256 HydrophobicContact CE2-CG2 4.32Å; F238-T256 HydrophobicContact CZ-CG2 3.79Å; V251-T256 HydrophobicContact CG1-CG2 3.88Å; T252-T256 PolarHBondContact O-N 2.98Å; V253-T256 WeakPolarHBondContact CA-O 3.46Å; T256-A258 PolarHBondContact OG1-N 2.76Å; T256-A258 PolarHBondContact OG1-O 2.8Å; T256-H259 HydrophobicContact CG2-CB 3.78Å | ||
| 257 | E | 93.9 | Very high | 95.2 | Very high | 149 Ų | 149 | 47.4 Ų | 47.4 | 70% | 0.696 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -73.4 | -29.8 | 174.3 | -63.6 | -178.7 | 176.6 | 0 | 0 | 112.2 | L221 V253 | L221-E257 PolarHBondContact N-O 3.03Å; V253-E257 HydrophobicContact CG2-CG 4.27Å |
| 258 | A | 94.5 | Very high | 95.3 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 119.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | A218 I220 T256 | A218-A258 HydrophobicContact CB-CB 3.93Å; I220-A258 HydrophobicContact CD1-CB 3.71Å; T256-A258 PolarHBondContact OG1-N 2.76Å; T256-A258 PolarHBondContact OG1-O 2.8Å |
| 259 | H | 95.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.9 | -179.7 | -172.8 | 78.6 | 0 | 0 | 0 | 110.3 | A218 V219 L221 L227 F238 V251 T256 P261 E265 | A218-H259 CarbonylContact C-O 3.57Å; A218-H259 WeakPolarHBondContact CA-O 3.38Å; V219-H259 PolarHBondContact N-O 3.24Å; V219-H259 PolarHBondContact O-N 2.81Å; L221-H259 HydrophobicContact CD1-CB 4.42Å; L227-H259 HydrophobicContact CD2-CB 4.05Å; L227-H259 VanDerWaalsContact CD2-CD2 3.45Å; L227-H259 WeakPolarHBondContact CD2-CD2 3.07Å; F238-H259 AromaticContact CD1-CE1 3.54Å; F238-H259 AromaticContact CD1-ND1 3.8Å; F238-H259 AromaticContact CE1-CE1 3.44Å; F238-H259 VanDerWaalsContact CE1-CE1 3.44Å; F238-H259 WeakPolarHBondContact CE1-CE1 3.4Å; F238-H259 AromaticContact CE1-ND1 3.33Å; F238-H259 VanDerWaalsContact CE1-ND1 3.33Å; F238-H259 WeakPolarHBondContact CE1-ND1 3.47Å; V251-H259 HydrophobicContact CG1-CB 4.37Å; T256-H259 HydrophobicContact CG2-CB 3.78Å; H259-P261 WeakPolarHBondContact O-CD 3.49Å; H259-E265 IonicContact CD2-OE2 2.83Å; H259-E265 IonicContact CE1-OE1 3.97Å; H259-E265 IonicContact CE1-OE2 3.85Å; H259-E265 IonicContact NE2-OE1 2.77Å; H259-E265 IonicContact NE2-OE2 2.83Å; H259-E265 PolarHBondContact NE2-OE2 3.49Å |
| 260 | V | 95.7 | Very high | 95.3 | Very high | 31 Ų | 31 | 49 Ų | 49 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 116.8 | 168.2 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | A173 L197 V216 A218 D262 | A173-V260 HydrophobicContact CB-CG1 3.74Å; L197-V260 HydrophobicContact CD1-CG1 3.88Å; V216-V260 HydrophobicContact CB-CG1 4.05Å; V216-V260 HydrophobicContact CG1-CG1 3.77Å; A218-V260 HydrophobicContact CB-CG2 3.55Å; V260-D262 PolarHBondContact O-N 3.01Å |
| 261 | P | 95.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 122.4 | 178.1 | -20.6 | 33 | 0 | 0 | 0 | 110.9 | L197 V219 H259 E265 V267 | L197-P261 WeakPolarHBondContact CD1-O 3.46Å; V219-P261 HydrophobicContact CG2-CG 4.34Å; H259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-E265 WeakPolarHBondContact CA-OE2 3.42Å; P261-V267 HydrophobicContact CB-CG2 3.67Å; P261-V267 HydrophobicContact CG-CG2 3.46Å; P261-V267 VanDerWaalsContact CG-CG2 3.46Å |
| 262 | D | 94.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 164.1 | 178.8 | -160.5 | -2.6 | 0 | 0 | 0 | 111.5 | V260 H264 E265 | V260-D262 PolarHBondContact O-N 3.01Å; D262-H264 PolarHBondContact O-N 2.9Å; D262-H264 VanDerWaalsContact O-N 3.11Å; D262-E265 HydrophobicContact CB-CG 4.08Å; D262-E265 PolarHBondContact N-OE2 3.38Å; D262-E265 WeakPolarHBondContact O-CB 3.37Å; D262-E265 PolarHBondContact O-N 3.18Å |
| 263 | V | 94.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.9 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | R175 E195 L197 | R175-V263 HydrophobicContact CG-CG2 4.44Å; E195-V263 HydrophobicContact CB-CG1 3.58Å; E195-V263 HydrophobicContact CB-CG2 4.37Å; L197-V263 HydrophobicContact CD2-CG2 4.14Å; L197-V263 HydrophobicContact CG-CG2 3.94Å |
| 264 | H | 95.3 | Very high | 95 | Very high | 53 Ų | 53 | 53.6 Ų | 53.6 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.2 | 179.6 | -55.5 | -33.4 | 0 | 0 | 0 | 113.6 | R232 F235 D262 | R232-H264 WeakPolarHBondContact CB-O 3.36Å; R232-H264 PolarHBondContact N-O 2.93Å; F235-H264 HydrophobicContact CB-CB 4.26Å; F235-H264 HydrophobicContact CD1-CB 3.78Å; F235-H264 HydrophobicContact CD2-CB 4.04Å; F235-H264 HydrophobicContact CE1-CB 4.11Å; F235-H264 HydrophobicContact CE2-CB 4.36Å; F235-H264 HydrophobicContact CG-CB 3.76Å; F235-H264 HydrophobicContact CZ-CB 4.41Å; D262-H264 PolarHBondContact O-N 2.9Å; D262-H264 VanDerWaalsContact O-N 3.11Å |
| 265 | E | 95.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.4 | 177.2 | -63.5 | 178.1 | 154.3 | 0 | 0 | 110 | L229 F235 W249 H259 P261 D262 | L229-E265 HydrophobicContact CD1-CB 4.47Å; L229-E265 HydrophobicContact CD1-CG 4.38Å; L229-E265 HydrophobicContact CD2-CB 4.46Å; F235-E265 HydrophobicContact CE1-CG 4.31Å; F235-E265 HydrophobicContact CE2-CG 4.03Å; F235-E265 HydrophobicContact CZ-CG 3.46Å; F235-E265 VanDerWaalsContact CZ-CG 3.46Å; W249-E265 HydrophobicContact CH2-CG 4.26Å; W249-E265 HydrophobicContact CZ2-CG 4.02Å; H259-E265 IonicContact CD2-OE2 2.83Å; H259-E265 IonicContact CE1-OE1 3.97Å; H259-E265 IonicContact CE1-OE2 3.85Å; H259-E265 IonicContact NE2-OE1 2.77Å; H259-E265 IonicContact NE2-OE2 2.83Å; H259-E265 PolarHBondContact NE2-OE2 3.49Å; P261-E265 WeakPolarHBondContact CA-OE2 3.42Å; D262-E265 HydrophobicContact CB-CG 4.08Å; D262-E265 PolarHBondContact N-OE2 3.38Å; D262-E265 WeakPolarHBondContact O-CB 3.37Å; D262-E265 PolarHBondContact O-N 3.18Å |
| 266 | E | 96.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.7 | 171.4 | -175.6 | -177.9 | -172.1 | 0 | 0 | 108.7 | L229 R230 R232 L268 | L229-E266 CarbonylContact C-O 3.57Å; L229-E266 WeakPolarHBondContact CA-O 3.17Å; R230-E266 HydrophobicContact CB-CB 4.33Å; R230-E266 IonicContact CZ-OE1 2.79Å; R230-E266 IonicContact CZ-OE2 3.96Å; R230-E266 PolarHBondContact N-O 2.8Å; R230-E266 IonicContact NE-OE2 2.67Å; R230-E266 PolarHBondContact NE-OE2 2.88Å; R230-E266 IonicContact NH2-OE1 3.2Å; R230-E266 PolarHBondContact NH2-OE1 2.99Å; R230-E266 IonicContact NH2-OE2 3.1Å; R230-E266 PolarHBondContact NH2-OE2 3.07Å; R230-E266 PolarHBondContact O-N 2.85Å; R232-E266 HydrophobicContact CG-CB 4.04Å; E266-L268 HydrophobicContact CG-CD2 4.49Å; E266-L268 PolarHBondContact O-N 2.74Å |
| 267 | V | 96.6 | Very high | 94.6 | Very high | 66 Ų | 66 | 45 Ų | 45 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 114.8 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | L227 L229 P261 | L227-V267 HydrophobicContact CD1-CG1 3.7Å; L227-V267 HydrophobicContact CD1-CG2 4.48Å; L229-V267 HydrophobicContact CD2-CB 4.35Å; L229-V267 HydrophobicContact CD2-CG2 3.77Å; P261-V267 HydrophobicContact CB-CG2 3.67Å; P261-V267 HydrophobicContact CG-CG2 3.46Å; P261-V267 VanDerWaalsContact CG-CG2 3.46Å |
| 268 | L | 96.5 | Very high | 94.4 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.356 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -29.9 | 174.6 | -65.3 | -178.2 | 0 | 0 | 0 | 112.1 | H228 R230 E248 E266 | H228-L268 HydrophobicContact CB-CB 4.45Å; H228-L268 PolarHBondContact O-N 2.98Å; R230-L268 HydrophobicContact CB-CD1 3.87Å; R230-L268 HydrophobicContact CB-CD2 4.45Å; R230-L268 HydrophobicContact CB-CG 4.07Å; E248-L268 HydrophobicContact CG-CD1 4.14Å; E266-L268 HydrophobicContact CG-CD2 4.49Å; E266-L268 PolarHBondContact O-N 2.74Å |
| 269 | G | 94.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -173.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H228 | H228-G269 PolarHBondContact N-O 3.45Å |
| 270 | V | 95.7 | Very high | 93.7 | Very high | 80 Ų | 80 | 47.8 Ų | 47.8 | 49% | 0.485 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.1 | 174 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | V219 T225 A226 L227 | V219-V270 HydrophobicContact CG1-CG2 4.46Å; T225-V270 HydrophobicContact CG2-CG1 3.93Å; A226-V270 CarbonylContact O-C 3.54Å; A226-V270 WeakPolarHBondContact O-CA 3.33Å; L227-V270 HydrophobicContact CD1-CG2 4.39Å |
| 271 | V | 95.7 | Very high | 93.5 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.158 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 120.8 | -178.6 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | A226 H228 L250 F309 | A226-V271 PolarHBondContact N-O 3.33Å; A226-V271 PolarHBondContact O-N 3.05Å; H228-V271 HydrophobicContact CB-CG2 3.91Å; L250-V271 HydrophobicContact CD2-CG2 3.97Å; V271-F309 HydrophobicContact CG1-CD1 4.37Å |
| 272 | P | 95.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 150.4 | 174 | 31.3 | -34.3 | 0 | 0 | 0 | 110.8 | T274 | P272-T274 PolarHBondContact O-N 2.87Å |
| 273 | I | 95.1 | Very high | 93.2 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 22% | 0.221 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 135.1 | 173.9 | -162.3 | 160.1 | 0 | 0 | 0 | 110.6 | E223 K224 F309 | E223-I273 VanDerWaalsContact O-CD1 3.32Å; E223-I273 WeakPolarHBondContact O-CD1 3.39Å; K224-I273 HydrophobicContact CB-CG2 3.9Å; K224-I273 HydrophobicContact CG-CG2 4.09Å; K224-I273 PolarHBondContact O-N 3.08Å; I273-F309 HydrophobicContact CB-CD1 4.11Å; I273-F309 HydrophobicContact CB-CE1 3.59Å; I273-F309 HydrophobicContact CB-CZ 3.96Å; I273-F309 HydrophobicContact CD1-CE2 4.25Å; I273-F309 HydrophobicContact CD1-CZ 4.07Å; I273-F309 HydrophobicContact CG1-CD1 4.42Å; I273-F309 HydrophobicContact CG1-CE1 4.13Å; I273-F309 HydrophobicContact CG1-CZ 4.18Å |
| 274 | T | 93 | Very high | 93.2 | Very high | 26 Ų | 26 | 46 Ų | 46 | 16% | 0.16 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.3 | 169.5 | -59.1 | 0 | 0 | 0 | 0 | 108.1 | P272 S307 F308 L316 | P272-T274 PolarHBondContact O-N 2.87Å; T274-S307 WeakPolarHBondContact O-CA 3.35Å; T274-F308 WeakPolarHBondContact CA-O 3.42Å; T274-F308 WeakPolarHBondContact CB-O 3.31Å; T274-F308 HydrophobicContact CG2-CE1 4.2Å; T274-F308 HydrophobicContact CG2-CE2 4.41Å; T274-F308 HydrophobicContact CG2-CZ 3.89Å; T274-F308 PolarHBondContact N-O 2.93Å; T274-F308 PolarHBondContact O-N 2.52Å; T274-L316 HydrophobicContact CG2-CD1 4.28Å |
| 275 | T | 91 | Very high | 93.1 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.2 | 179.1 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | S307 | T275-S307 WeakPolarHBondContact CG2-OG 3.17Å; T275-S307 PolarHBondContact OG1-OG 3.33Å |
| 276 | L | 91.4 | Very high | 93 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.8 | 172.5 | -62.1 | 176.7 | 0 | 0 | 0 | 109.2 | N280 C282 V302 G304 E305 K306 F308 T320 | L276-N280 HydrophobicContact CB-CB 4.31Å; L276-N280 HydrophobicContact CD2-CB 4.19Å; L276-C282 HydrophobicContact CD2-CB 4.1Å; L276-V302 HydrophobicContact CD1-CB 4.17Å; L276-V302 HydrophobicContact CD1-CG1 3.83Å; L276-G304 WeakPolarHBondContact CB-O 3.33Å; L276-E305 WeakPolarHBondContact O-CA 3.42Å; L276-K306 PolarHBondContact N-O 3.12Å; L276-K306 PolarHBondContact O-N 2.83Å; L276-F308 HydrophobicContact CD1-CE1 3.98Å; L276-F308 HydrophobicContact CG-CE1 4.25Å; L276-T320 HydrophobicContact CD2-CG2 3.47Å; L276-T320 VanDerWaalsContact CD2-CG2 3.47Å |
| 277 | G | 89.8 | Confident | 92.9 | Very high | 21 Ų | 21 | 45 Ų | 45 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | trans | -74.2 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H279 N280 G304 | G277-H279 PolarHBondContact O-N 3.23Å; G277-H279 VanDerWaalsContact O-N 3.1Å; G277-N280 PolarHBondContact O-N 2.78Å; G277-G304 CarbonylContact O-C 3.56Å | ||
| 278 | P | 88.8 | Confident | 92.8 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32 | -175.4 | -24.1 | 32.8 | 0 | 0 | 0 | 113.9 | ||
| 279 | H | 88 | Confident | 92.5 | Very high | 107 Ų | 107 | 40.5 Ų | 40.5 | 50% | 0.495 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 17.8 | -178.9 | -58.8 | -59 | 0 | 0 | 0 | 113 | G277 C322 L323 Y324 | G277-H279 PolarHBondContact O-N 3.23Å; G277-H279 VanDerWaalsContact O-N 3.1Å; H279-C322 CarbonylContact O-C 3.48Å; H279-C322 WeakPolarHBondContact O-CA 3.34Å; H279-L323 WeakPolarHBondContact O-CB 3.41Å; H279-L323 PolarHBondContact O-N 2.93Å; H279-Y324 AromaticContact ND1-CD2 3.83Å; H279-Y324 AromaticContact ND1-CE2 3.94Å |
| 280 | N | 88.2 | Confident | 92.3 | Very high | 50 Ų | 50 | 46 Ų | 46 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 152.1 | 179.1 | -66.2 | -7.3 | 0 | 0 | 0 | 112 | L276 G277 G304 T320 W321 | L276-N280 HydrophobicContact CB-CB 4.31Å; L276-N280 HydrophobicContact CD2-CB 4.19Å; G277-N280 PolarHBondContact O-N 2.78Å; N280-G304 PolarHBondContact O-N 2.93Å; N280-G304 VanDerWaalsContact O-N 3.11Å; N280-T320 HydrophobicContact CB-CG2 4.45Å; N280-W321 CarbonylContact C-O 3.56Å; N280-W321 VanDerWaalsContact CA-O 3.24Å; N280-W321 WeakPolarHBondContact CA-O 3.08Å |
| 281 | Y | 90.7 | Very high | 91.8 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 26% | 0.255 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 159.3 | 165.1 | 79.4 | -83.8 | 0 | 0 | 0 | 110.7 | V283 V301 V302 W321 L323 | Y281-V283 HydrophobicContact CD2-CG2 4.46Å; Y281-V283 HydrophobicContact CE2-CG2 4.21Å; Y281-V301 HydrophobicContact CD2-CG1 4.1Å; Y281-V302 CarbonylContact C-O 3.56Å; Y281-V302 VanDerWaalsContact CA-O 3.23Å; Y281-V302 WeakPolarHBondContact CA-O 3.3Å; Y281-V302 WeakPolarHBondContact CB-O 3.48Å; Y281-W321 HydrophobicContact CD1-CB 3.76Å; Y281-W321 HydrophobicContact CE1-CB 3.25Å; Y281-W321 HydrophobicContact CE1-CG 4.1Å; Y281-W321 HydrophobicContact CE2-CB 4.25Å; Y281-W321 HydrophobicContact CG-CB 4.46Å; Y281-W321 AromaticContact CZ-CG 3.87Å; Y281-W321 PolarHBondContact N-O 2.92Å; Y281-W321 PolarHBondContact O-N 2.76Å; Y281-L323 HydrophobicContact CD1-CD2 3.84Å; Y281-L323 HydrophobicContact CD1-CG 3.94Å; Y281-L323 HydrophobicContact CG-CD2 4.37Å |
| 282 | C | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 161.4 | 169.9 | 71.1 | 0 | 0 | 0 | 0 | 110.3 | L276 V302 L316 | L276-C282 HydrophobicContact CD2-CB 4.1Å; C282-V302 PolarHBondContact N-O 3.01Å; C282-V302 PolarHBondContact O-N 2.82Å; C282-L316 HydrophobicContact CB-CD2 3.92Å |
| 283 | V | 92.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.4 | 176.1 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | Y281 K299 V301 E317 | Y281-V283 HydrophobicContact CD2-CG2 4.46Å; Y281-V283 HydrophobicContact CE2-CG2 4.21Å; V283-K299 HydrophobicContact CG1-CB 3.85Å; V283-K299 HydrophobicContact CG1-CD 4.1Å; V283-K299 HydrophobicContact CG1-CG 4.35Å; V283-V301 HydrophobicContact CG2-CG2 4.27Å; V283-E317 HydrophobicContact CB-CB 4.15Å; V283-E317 HydrophobicContact CG1-CB 4.49Å; V283-E317 PolarHBondContact O-N 3.49Å |
| 284 | I | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.1 | 174.8 | -59.1 | 173.9 | 0 | 0 | 0 | 107.7 | P287 K299 R300 V302 F308 L310 E314 Q315 L316 | I284-P287 HydrophobicContact CG2-CB 4.34Å; I284-K299 CarbonylContact O-C 3.51Å; I284-K299 WeakPolarHBondContact O-CA 3.34Å; I284-R300 HydrophobicContact CB-CB 4.44Å; I284-R300 PolarHBondContact N-O 3.42Å; I284-R300 PolarHBondContact O-N 2.91Å; I284-V302 HydrophobicContact CD1-CG2 3.6Å; I284-V302 HydrophobicContact CG1-CG2 4.25Å; I284-F308 HydrophobicContact CD1-CD2 4.41Å; I284-F308 HydrophobicContact CD1-CE2 3.59Å; I284-F308 HydrophobicContact CD1-CZ 3.98Å; I284-F308 HydrophobicContact CG1-CE2 4.36Å; I284-L310 HydrophobicContact CD1-CD2 4.49Å; I284-L310 HydrophobicContact CG1-CD2 4.31Å; I284-E314 HydrophobicContact CG2-CB 3.76Å; I284-E314 HydrophobicContact CG2-CG 3.76Å; I284-Q315 CarbonylContact C-O 3.6Å; I284-Q315 WeakPolarHBondContact CA-O 3.45Å; I284-L316 HydrophobicContact CG1-CD2 4.09Å |
| 285 | L | 93.4 | Very high | 91.1 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 143.8 | 170 | -58.3 | -179.2 | 0 | 0 | 0 | 109.6 | K299 Q315 E317 | L285-K299 HydrophobicContact CD2-CD 3.92Å; L285-K299 HydrophobicContact CD2-CG 3.78Å; L285-Q315 PolarHBondContact N-O 2.82Å; L285-Q315 PolarHBondContact O-N 2.65Å; L285-E317 HydrophobicContact CD1-CB 4.03Å; L285-E317 HydrophobicContact CD1-CG 4.4Å; L285-E317 HydrophobicContact CD2-CB 3.82Å; L285-E317 HydrophobicContact CD2-CG 4.2Å; L285-E317 HydrophobicContact CG-CB 3.86Å |
| 286 | D | 94.4 | Very high | 91.1 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 51.6 | 50.7 | 177.9 | -57.1 | -26.3 | 0 | 0 | 0 | 113.8 | N294 L296 G297 Q298 | D286-N294 HydrophobicContact CB-CB 4.44Å; D286-N294 PolarHBondContact O-OD1 2.93Å; D286-N294 VanDerWaalsContact O-OD1 3.05Å; D286-L296 HydrophobicContact CB-CD2 4.49Å; D286-L296 WeakPolarHBondContact OD1-CA 3.27Å; D286-G297 PolarHBondContact OD1-N 3.09Å; D286-Q298 PolarHBondContact N-O 3.22Å |
| 287 | P | 94.4 | Very high | 91 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.032 | 36% | 0.357 | C | S | . | . | trans | -59.8 | 143.4 | -172.2 | 28.5 | -37.4 | 0 | 0 | 0 | 112.3 | I284 G289 Q295 Q298 R300 E314 | I284-P287 HydrophobicContact CG2-CB 4.34Å; P287-G289 PolarHBondContact O-N 2.91Å; P287-Q295 HydrophobicContact CG-CB 4.46Å; P287-Q295 WeakPolarHBondContact O-CB 3.4Å; P287-Q295 WeakPolarHBondContact O-CG 3.48Å; P287-Q295 PolarHBondContact O-N 2.93Å; P287-Q298 VanDerWaalsContact CD-O 3.32Å; P287-Q298 WeakPolarHBondContact CD-O 3.38Å; P287-Q298 HydrophobicContact CG-CB 4.32Å; P287-R300 HydrophobicContact CB-CB 3.74Å; P287-R300 HydrophobicContact CG-CB 3.86Å; P287-E314 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 288 | V | 93.8 | Very high | 91.2 | Very high | 31 Ų | 31 | 65.1 Ų | 65.1 | 19% | 0.188 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 127.2 | 174.4 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | K293 N294 R300 Q311 E314 | V288-K293 WeakPolarHBondContact CA-O 3.19Å; V288-N294 WeakPolarHBondContact CG2-OD1 3.45Å; V288-R300 PolarHBondContact O-NH1 2.85Å; V288-Q311 HydrophobicContact CB-CB 4.18Å; V288-Q311 HydrophobicContact CB-CG 4.35Å; V288-Q311 HydrophobicContact CG2-CB 3.51Å; V288-Q311 HydrophobicContact CG2-CG 4.2Å; V288-E314 HydrophobicContact CG2-CG 4.21Å; V288-E314 PolarHBondContact N-OE1 2.91Å |
| 289 | G | 90.1 | Very high | 91.4 | Very high | 9 Ų | 9 | 66.7 Ų | 66.7 | 9% | 0.093 | 37% | 0.371 | C | S | . | . | trans | -82.9 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P287 D291 G292 K293 | P287-G289 PolarHBondContact O-N 2.91Å; G289-D291 PolarHBondContact O-N 3.19Å; G289-G292 PolarHBondContact O-N 2.91Å; G289-K293 PolarHBondContact N-O 2.56Å | ||
| 290 | P | 89.8 | Confident | 91.6 | Very high | 144 Ų | 144 | 66.1 Ų | 66.1 | 94% | 0.935 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.1 | 176.2 | -20.8 | 32.9 | 0 | 0 | 0 | 114 | ||
| 291 | D | 86.8 | Confident | 91.8 | Very high | 106 Ų | 106 | 68.1 Ų | 68.1 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -0.2 | 174.7 | 66.3 | -26.4 | 0 | 0 | 0 | 113.1 | G289 K293 | G289-D291 PolarHBondContact O-N 3.19Å; D291-K293 VanDerWaalsContact C-N 3.31Å; D291-K293 PolarHBondContact OD1-N 3.15Å |
| 292 | G | 87 | Confident | 91.9 | Very high | 58 Ų | 58 | 66 Ų | 66 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 76.3 | 14.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G289 | G289-G292 PolarHBondContact O-N 2.91Š|
| 293 | K | 90.6 | Very high | 91.8 | Very high | 142 Ų | 142 | 72.8 Ų | 72.8 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | trans | -114.4 | 148 | -179.1 | -62.7 | -178.7 | -178.5 | 175.3 | 0 | 112.2 | V288 G289 D291 | V288-K293 WeakPolarHBondContact CA-O 3.19Å; G289-K293 PolarHBondContact N-O 2.56Å; D291-K293 VanDerWaalsContact C-N 3.31Å; D291-K293 PolarHBondContact OD1-N 3.15Å | ||
| 294 | N | 92.4 | Very high | 91.6 | Very high | 56 Ų | 56 | 73 Ų | 73 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -67.8 | 129.4 | 174.3 | -69.3 | -50.1 | 0 | 0 | 0 | 111.2 | D286 V288 L296 P312 | D286-N294 HydrophobicContact CB-CB 4.44Å; D286-N294 PolarHBondContact O-OD1 2.93Å; D286-N294 VanDerWaalsContact O-OD1 3.05Å; V288-N294 WeakPolarHBondContact CG2-OD1 3.45Å; N294-L296 HydrophobicContact CB-CD2 4.4Å; N294-L296 PolarHBondContact O-N 3.26Å; N294-P312 PolarHBondContact ND2-O 3.25Å; N294-P312 PolarHBondContact OD1-O 2.8Å |
| 295 | Q | 93.3 | Very high | 91.4 | Very high | 84 Ų | 84 | 80.4 Ų | 80.4 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | trans | -87.1 | 82.6 | 176.3 | -62.9 | 173.7 | 37.6 | 0 | 0 | 110.1 | P287 G297 Q298 | P287-Q295 HydrophobicContact CG-CB 4.46Å; P287-Q295 WeakPolarHBondContact O-CB 3.4Å; P287-Q295 WeakPolarHBondContact O-CG 3.48Å; P287-Q295 PolarHBondContact O-N 2.93Å; Q295-G297 PolarHBondContact O-N 2.77Å; Q295-Q298 HydrophobicContact CB-CB 3.9Å; Q295-Q298 HydrophobicContact CB-CG 3.86Å; Q295-Q298 VanDerWaalsContact O-CB 3.27Å; Q295-Q298 WeakPolarHBondContact O-CB 3.36Å; Q295-Q298 PolarHBondContact O-N 2.68Å | ||
| 296 | L | 91.5 | Very high | 91.4 | Very high | 143 Ų | 143 | 84.2 Ų | 84.2 | 75% | 0.749 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 128.7 | -174.4 | -58.6 | 178.5 | 0 | 0 | 0 | 112.8 | D286 N294 Q298 | D286-L296 HydrophobicContact CB-CD2 4.49Å; D286-L296 WeakPolarHBondContact OD1-CA 3.27Å; N294-L296 HydrophobicContact CB-CD2 4.4Å; N294-L296 PolarHBondContact O-N 3.26Å; L296-Q298 VanDerWaalsContact C-N 3.27Å; L296-Q298 PolarHBondContact O-N 3.36Å |
| 297 | G | 90.3 | Very high | 91.3 | Very high | 69 Ų | 69 | 85.4 Ų | 85.4 | 71% | 0.711 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -3.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D286 Q295 | D286-G297 PolarHBondContact OD1-N 3.09Å; Q295-G297 PolarHBondContact O-N 2.77Å |
| 298 | Q | 92.9 | Very high | 91.3 | Very high | 113 Ų | 113 | 87.1 Ų | 87.1 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | trans | -88.3 | 160.2 | 176.8 | -62.7 | -68.7 | -5.4 | 0 | 0 | 111.6 | D286 P287 Q295 L296 | D286-Q298 PolarHBondContact N-O 3.22Å; P287-Q298 VanDerWaalsContact CD-O 3.32Å; P287-Q298 WeakPolarHBondContact CD-O 3.38Å; P287-Q298 HydrophobicContact CG-CB 4.32Å; Q295-Q298 HydrophobicContact CB-CB 3.9Å; Q295-Q298 HydrophobicContact CB-CG 3.86Å; Q295-Q298 VanDerWaalsContact O-CB 3.27Å; Q295-Q298 WeakPolarHBondContact O-CB 3.36Å; Q295-Q298 PolarHBondContact O-N 2.68Å; L296-Q298 VanDerWaalsContact C-N 3.27Å; L296-Q298 PolarHBondContact O-N 3.36Å | ||
| 299 | K | 93.7 | Very high | 91.3 | Very high | 114 Ų | 114 | 87.1 Ų | 87.1 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.7 | 178.1 | -59.3 | -171.2 | 177.3 | -172.6 | 0 | 110.6 | V283 I284 L285 E317 | V283-K299 HydrophobicContact CG1-CB 3.85Å; V283-K299 HydrophobicContact CG1-CD 4.1Å; V283-K299 HydrophobicContact CG1-CG 4.35Å; I284-K299 CarbonylContact O-C 3.51Å; I284-K299 WeakPolarHBondContact O-CA 3.34Å; L285-K299 HydrophobicContact CD2-CD 3.92Å; L285-K299 HydrophobicContact CD2-CG 3.78Å; K299-E317 IonicContact NZ-OE1 2.85Å; K299-E317 PolarHBondContact NZ-OE1 3.21Å; K299-E317 IonicContact NZ-OE2 2.71Å; K299-E317 PolarHBondContact NZ-OE2 3.18Å |
| 300 | R | 92.6 | Very high | 91.6 | Very high | 95 Ų | 95 | 88.4 Ų | 88.4 | 36% | 0.358 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117.5 | 174.4 | -176 | 174.7 | 68.5 | -157.1 | -5.8 | 110.2 | I284 P287 V288 V302 E314 | I284-R300 HydrophobicContact CB-CB 4.44Å; I284-R300 PolarHBondContact N-O 3.42Å; I284-R300 PolarHBondContact O-N 2.91Å; P287-R300 HydrophobicContact CB-CB 3.74Å; P287-R300 HydrophobicContact CG-CB 3.86Å; V288-R300 PolarHBondContact O-NH1 2.85Å; R300-V302 HydrophobicContact CG-CG2 4.44Å; R300-E314 IonicContact CZ-OE1 2.62Å; R300-E314 IonicContact NH1-OE1 3.17Å; R300-E314 IonicContact NH2-OE1 2.93Å; R300-E314 PolarHBondContact NH2-OE1 3.08Å; R300-E314 IonicContact NH2-OE2 3.14Å |
| 301 | V | 92.3 | Very high | 91.8 | Very high | 92 Ų | 92 | 85.1 Ų | 85.1 | 56% | 0.558 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.5 | 174.1 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | Y281 V283 | Y281-V301 HydrophobicContact CD2-CG1 4.1Å; V283-V301 HydrophobicContact CG2-CG2 4.27Å |
| 302 | V | 91.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 80.9 Ų | 80.9 | 12% | 0.115 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.5 | 172.5 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | L276 Y281 C282 I284 R300 K306 F308 | L276-V302 HydrophobicContact CD1-CB 4.17Å; L276-V302 HydrophobicContact CD1-CG1 3.83Å; Y281-V302 CarbonylContact C-O 3.56Å; Y281-V302 VanDerWaalsContact CA-O 3.23Å; Y281-V302 WeakPolarHBondContact CA-O 3.3Å; Y281-V302 WeakPolarHBondContact CB-O 3.48Å; C282-V302 PolarHBondContact N-O 3.01Å; C282-V302 PolarHBondContact O-N 2.82Å; I284-V302 HydrophobicContact CD1-CG2 3.6Å; I284-V302 HydrophobicContact CG1-CG2 4.25Å; R300-V302 HydrophobicContact CG-CG2 4.44Å; V302-K306 HydrophobicContact CG1-CD 4.05Å; V302-F308 HydrophobicContact CB-CE1 4.4Å; V302-F308 HydrophobicContact CG1-CD1 4.4Å; V302-F308 HydrophobicContact CG1-CE1 3.9Å; V302-F308 HydrophobicContact CG1-CZ 4.48Å |
| 303 | K | 89.7 | Confident | 92.4 | Very high | 143 Ų | 143 | 80.1 Ų | 80.1 | 62% | 0.622 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 155.5 | -175.6 | 65.8 | 178.6 | -179.1 | 178.7 | 0 | 112.1 | ||
| 304 | G | 88.1 | Confident | 92.6 | Very high | 21 Ų | 21 | 74 Ų | 74 | 22% | 0.216 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 82.6 | 177.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L276 G277 N280 K306 | L276-G304 WeakPolarHBondContact CB-O 3.33Å; G277-G304 CarbonylContact O-C 3.56Å; N280-G304 PolarHBondContact O-N 2.93Å; N280-G304 VanDerWaalsContact O-N 3.11Å; G304-K306 PolarHBondContact O-N 3.33Å |
| 305 | E | 91.6 | Very high | 92.6 | Very high | 156 Ų | 156 | 77.6 Ų | 77.6 | 73% | 0.729 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -64.2 | 102.9 | -175.8 | -170 | 175.8 | 177.2 | 0 | 0 | 111.4 | L276 | L276-E305 WeakPolarHBondContact O-CA 3.42Š|
| 306 | K | 91.9 | Very high | 92.5 | Very high | 120 Ų | 120 | 75.9 Ų | 75.9 | 52% | 0.522 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 143.1 | -177.8 | -71.7 | -168.3 | 178.4 | -172.8 | 0 | 110.9 | L276 V302 G304 | L276-K306 PolarHBondContact N-O 3.12Å; L276-K306 PolarHBondContact O-N 2.83Å; V302-K306 HydrophobicContact CG1-CD 4.05Å; G304-K306 PolarHBondContact O-N 3.33Å |
| 307 | S | 92.7 | Very high | 92.2 | Very high | 74 Ų | 74 | 73.3 Ų | 73.3 | 52% | 0.517 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.6 | 171.6 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | T274 T275 | T274-S307 WeakPolarHBondContact O-CA 3.35Å; T275-S307 WeakPolarHBondContact CG2-OG 3.17Å; T275-S307 PolarHBondContact OG1-OG 3.33Å |
| 308 | F | 93.9 | Very high | 91.3 | Very high | 40 Ų | 40 | 72.7 Ų | 72.7 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 158.2 | -178.8 | 63.7 | -84.3 | 0 | 0 | 0 | 111 | T274 L276 I284 V302 L310 | T274-F308 WeakPolarHBondContact CA-O 3.42Å; T274-F308 WeakPolarHBondContact CB-O 3.31Å; T274-F308 HydrophobicContact CG2-CE1 4.2Å; T274-F308 HydrophobicContact CG2-CE2 4.41Å; T274-F308 HydrophobicContact CG2-CZ 3.89Å; T274-F308 PolarHBondContact N-O 2.93Å; T274-F308 PolarHBondContact O-N 2.52Å; L276-F308 HydrophobicContact CD1-CE1 3.98Å; L276-F308 HydrophobicContact CG-CE1 4.25Å; I284-F308 HydrophobicContact CD1-CD2 4.41Å; I284-F308 HydrophobicContact CD1-CE2 3.59Å; I284-F308 HydrophobicContact CD1-CZ 3.98Å; I284-F308 HydrophobicContact CG1-CE2 4.36Å; V302-F308 HydrophobicContact CB-CE1 4.4Å; V302-F308 HydrophobicContact CG1-CD1 4.4Å; V302-F308 HydrophobicContact CG1-CE1 3.9Å; V302-F308 HydrophobicContact CG1-CZ 4.48Å; F308-L310 HydrophobicContact CE2-CD2 3.95Å |
| 309 | F | 95.6 | Very high | 89.9 | Confident | 32 Ų | 32 | 73 Ų | 73 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 139.4 | 170.5 | -61.3 | -77.9 | 0 | 0 | 0 | 109.7 | A226 L250 T252 V271 I273 Q311 | A226-F309 HydrophobicContact CB-CB 4.43Å; A226-F309 HydrophobicContact CB-CD1 3.6Å; A226-F309 HydrophobicContact CB-CD2 4.06Å; A226-F309 HydrophobicContact CB-CE1 3.74Å; A226-F309 HydrophobicContact CB-CE2 4.2Å; A226-F309 HydrophobicContact CB-CG 3.77Å; A226-F309 HydrophobicContact CB-CZ 4.04Å; L250-F309 HydrophobicContact CD1-CB 3.66Å; T252-F309 HydrophobicContact CG2-CD2 4.11Å; T252-F309 HydrophobicContact CG2-CE2 4.15Å; V271-F309 HydrophobicContact CG1-CD1 4.37Å; I273-F309 HydrophobicContact CB-CD1 4.11Å; I273-F309 HydrophobicContact CB-CE1 3.59Å; I273-F309 HydrophobicContact CB-CZ 3.96Å; I273-F309 HydrophobicContact CD1-CE2 4.25Å; I273-F309 HydrophobicContact CD1-CZ 4.07Å; I273-F309 HydrophobicContact CG1-CD1 4.42Å; I273-F309 HydrophobicContact CG1-CE1 4.13Å; I273-F309 HydrophobicContact CG1-CZ 4.18Å; F309-Q311 PolarHBondContact O-N 2.95Å |
| 310 | L | 94.9 | Very high | 88.4 | Confident | 36 Ų | 36 | 71 Ų | 71 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 124.7 | 170.4 | -69.8 | 169.6 | 0 | 0 | 0 | 108.8 | L250 I284 F308 E314 L316 | L250-L310 WeakPolarHBondContact CD1-O 3.48Å; I284-L310 HydrophobicContact CD1-CD2 4.49Å; I284-L310 HydrophobicContact CG1-CD2 4.31Å; F308-L310 HydrophobicContact CE2-CD2 3.95Å; L310-E314 HydrophobicContact CB-CB 4.4Å; L310-E314 HydrophobicContact CD2-CB 4.24Å; L310-L316 HydrophobicContact CD1-CD1 4.26Å; L310-L316 HydrophobicContact CD1-CG 3.96Å; L310-L316 HydrophobicContact CD2-CD2 3.88Å; L310-L316 HydrophobicContact CD2-CG 4.1Å |
| 311 | Q | 95.5 | Very high | 86.9 | Confident | 74 Ų | 74 | 72.6 Ų | 72.6 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 161.5 | 179.9 | -62.2 | -63.7 | -34.1 | 0 | 0 | 111.4 | V288 F309 G313 E314 | V288-Q311 HydrophobicContact CB-CB 4.18Å; V288-Q311 HydrophobicContact CB-CG 4.35Å; V288-Q311 HydrophobicContact CG2-CB 3.51Å; V288-Q311 HydrophobicContact CG2-CG 4.2Å; F309-Q311 PolarHBondContact O-N 2.95Å; Q311-G313 PolarHBondContact O-N 2.84Å; Q311-G313 VanDerWaalsContact O-N 3.16Å; Q311-E314 HydrophobicContact CB-CG 3.98Å; Q311-E314 PolarHBondContact N-OE2 3.31Å; Q311-E314 VanDerWaalsContact O-CB 3.32Å; Q311-E314 WeakPolarHBondContact O-CB 3.37Å; Q311-E314 PolarHBondContact O-N 3.41Å |
| 312 | P | 94.8 | Very high | 85.2 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 121.2 | 178.4 | -27.3 | 37.3 | 0 | 0 | 0 | 112.4 | E248 L250 N294 | E248-P312 HydrophobicContact CB-CB 3.58Å; E248-P312 HydrophobicContact CB-CG 3.91Å; L250-P312 HydrophobicContact CD2-CG 4.45Å; L250-P312 HydrophobicContact CG-CG 4.47Å; N294-P312 PolarHBondContact ND2-O 3.25Å; N294-P312 PolarHBondContact OD1-O 2.8Å |
| 313 | G | 91.7 | Very high | 83.6 | Confident | 43 Ų | 43 | 72.9 Ų | 72.9 | 44% | 0.443 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -12.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q311 | Q311-G313 PolarHBondContact O-N 2.84Å; Q311-G313 VanDerWaalsContact O-N 3.16Å |
| 314 | E | 93.8 | Very high | 81.9 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | trans | -74.5 | 139.6 | 173.5 | -68.2 | -172.7 | 155.1 | 0 | 0 | 111 | I284 P287 V288 R300 L310 Q311 | I284-E314 HydrophobicContact CG2-CB 3.76Å; I284-E314 HydrophobicContact CG2-CG 3.76Å; P287-E314 WeakPolarHBondContact CA-OE1 3.35Å; V288-E314 HydrophobicContact CG2-CG 4.21Å; V288-E314 PolarHBondContact N-OE1 2.91Å; R300-E314 IonicContact CZ-OE1 2.62Å; R300-E314 IonicContact NH1-OE1 3.17Å; R300-E314 IonicContact NH2-OE1 2.93Å; R300-E314 PolarHBondContact NH2-OE1 3.08Å; R300-E314 IonicContact NH2-OE2 3.14Å; L310-E314 HydrophobicContact CB-CB 4.4Å; L310-E314 HydrophobicContact CD2-CB 4.24Å; Q311-E314 HydrophobicContact CB-CG 3.98Å; Q311-E314 PolarHBondContact N-OE2 3.31Å; Q311-E314 VanDerWaalsContact O-CB 3.32Å; Q311-E314 WeakPolarHBondContact O-CB 3.37Å; Q311-E314 PolarHBondContact O-N 3.41Å | ||
| 315 | Q | 91.8 | Very high | 79.9 | Confident | 132 Ų | 132 | 79.1 Ų | 79.1 | 62% | 0.617 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151.3 | 174.3 | -61.8 | -176.4 | 5.8 | 0 | 0 | 110.4 | I284 L285 | I284-Q315 CarbonylContact C-O 3.6Å; I284-Q315 WeakPolarHBondContact CA-O 3.45Å; L285-Q315 PolarHBondContact N-O 2.82Å; L285-Q315 PolarHBondContact O-N 2.65Å |
| 316 | L | 91.1 | Very high | 77.6 | Confident | 47 Ų | 47 | 79.9 Ų | 79.9 | 25% | 0.246 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.1 | 171.3 | -65.2 | 177.8 | 0 | 0 | 0 | 109.5 | T274 C282 I284 L310 T318 | T274-L316 HydrophobicContact CG2-CD1 4.28Å; C282-L316 HydrophobicContact CB-CD2 3.92Å; I284-L316 HydrophobicContact CG1-CD2 4.09Å; L310-L316 HydrophobicContact CD1-CD1 4.26Å; L310-L316 HydrophobicContact CD1-CG 3.96Å; L310-L316 HydrophobicContact CD2-CD2 3.88Å; L310-L316 HydrophobicContact CD2-CG 4.1Å; L316-T318 PolarHBondContact O-N 3.45Å |
| 317 | E | 85.6 | Confident | 76.9 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 42% | 0.416 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -62.7 | -31.2 | 174.4 | -172.8 | 167.6 | -155.7 | 0 | 0 | 111.6 | V283 L285 K299 | V283-E317 HydrophobicContact CB-CB 4.15Å; V283-E317 HydrophobicContact CG1-CB 4.49Å; V283-E317 PolarHBondContact O-N 3.49Å; L285-E317 HydrophobicContact CD1-CB 4.03Å; L285-E317 HydrophobicContact CD1-CG 4.4Å; L285-E317 HydrophobicContact CD2-CB 3.82Å; L285-E317 HydrophobicContact CD2-CG 4.2Å; L285-E317 HydrophobicContact CG-CB 3.86Å; K299-E317 IonicContact NZ-OE1 2.85Å; K299-E317 PolarHBondContact NZ-OE1 3.21Å; K299-E317 IonicContact NZ-OE2 2.71Å; K299-E317 PolarHBondContact NZ-OE2 3.18Å |
| 318 | T | 72.5 | Confident | 76 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 35% | 0.35 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -153.5 | 141.2 | 174.9 | -6.2 | 0 | 0 | 0 | 0 | 109.4 | L316 T320 W321 | L316-T318 PolarHBondContact O-N 3.45Å; T318-T320 VanDerWaalsContact C-N 3.31Å; T318-T320 PolarHBondContact O-N 2.8Å; T318-W321 VanDerWaalsContact CB-NE1 3.25Å; T318-W321 HydrophobicContact CG2-CZ2 4.15Å; T318-W321 PolarHBondContact OG1-NE1 2.83Å |
| 319 | T | 63 | Low | 75 | Confident | 119 Ų | 119 | 80.2 Ų | 80.2 | 73% | 0.73 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -64.2 | -28.3 | -161.4 | -38.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 320 | T | 63.1 | Low | 73.8 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 44% | 0.436 | 47% | 0.47 | S | S | . | . | trans | 176.1 | 140.4 | 165.7 | 10.6 | 0 | 0 | 0 | 0 | 109.6 | L276 N280 T318 | L276-T320 HydrophobicContact CD2-CG2 3.47Å; L276-T320 VanDerWaalsContact CD2-CG2 3.47Å; N280-T320 HydrophobicContact CB-CG2 4.45Å; T318-T320 VanDerWaalsContact C-N 3.31Å; T318-T320 PolarHBondContact O-N 2.8Å | ||
| 321 | W | 59.8 | Low | 72.5 | Confident | 130 Ų | 130 | 86 Ų | 86 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145.9 | 173.8 | -73.1 | 96.8 | 0 | 0 | 0 | 111.1 | N280 Y281 T318 | N280-W321 CarbonylContact C-O 3.56Å; N280-W321 VanDerWaalsContact CA-O 3.24Å; N280-W321 WeakPolarHBondContact CA-O 3.08Å; Y281-W321 HydrophobicContact CD1-CB 3.76Å; Y281-W321 HydrophobicContact CE1-CB 3.25Å; Y281-W321 HydrophobicContact CE1-CG 4.1Å; Y281-W321 HydrophobicContact CE2-CB 4.25Å; Y281-W321 HydrophobicContact CG-CB 4.46Å; Y281-W321 AromaticContact CZ-CG 3.87Å; Y281-W321 PolarHBondContact N-O 2.92Å; Y281-W321 PolarHBondContact O-N 2.76Å; T318-W321 VanDerWaalsContact CB-NE1 3.25Å; T318-W321 HydrophobicContact CG2-CZ2 4.15Å; T318-W321 PolarHBondContact OG1-NE1 2.83Å |
| 322 | C | 57.4 | Low | 71 | Confident | 46 Ų | 46 | 86.8 Ų | 86.8 | 31% | 0.311 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 127.4 | 169.9 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | H279 Y324 C325 | H279-C322 CarbonylContact O-C 3.48Å; H279-C322 WeakPolarHBondContact O-CA 3.34Å; C322-Y324 PolarHBondContact O-N 3.42Å; C322-Y324 VanDerWaalsContact O-N 3.1Å; C322-C325 HydrophobicContact CB-CB 3.86Å; C322-C325 VanDerWaalsContact CB-SG 3.57Å; C322-C325 PolarHBondContact SG-SG 3.33Å |
| 323 | L | 57.2 | Low | 69.3 | Low | 71 Ų | 71 | 91.8 Ų | 91.8 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.3 | 179.8 | -79.5 | 158.9 | 0 | 0 | 0 | 113.5 | H279 Y281 | H279-L323 WeakPolarHBondContact O-CB 3.41Å; H279-L323 PolarHBondContact O-N 2.93Å; Y281-L323 HydrophobicContact CD1-CD2 3.84Å; Y281-L323 HydrophobicContact CD1-CG 3.94Å; Y281-L323 HydrophobicContact CG-CD2 4.37Å |
| 324 | Y | 54 | Low | 67.6 | Low | 190 Ų | 190 | 95.5 Ų | 95.5 | 75% | 0.745 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | 7.6 | -173.9 | -69.6 | -75.7 | 0 | 0 | 0 | 115.3 | H279 C322 A326 | H279-Y324 AromaticContact ND1-CD2 3.83Å; H279-Y324 AromaticContact ND1-CE2 3.94Å; C322-Y324 PolarHBondContact O-N 3.42Å; C322-Y324 VanDerWaalsContact O-N 3.1Å; Y324-A326 PolarHBondContact O-N 2.69Å |
| 325 | C | 46.3 | Very low | 65.4 | Low | 104 Ų | 104 | 102.4 Ų | 102.4 | 70% | 0.703 | 57% | 0.571 | S | S | * | * | trans | -88.1 | 83.7 | 172.2 | -68.4 | 0 | 0 | 0 | 0 | 109.3 | C322 | C322-C325 HydrophobicContact CB-CB 3.86Å; C322-C325 VanDerWaalsContact CB-SG 3.57Å; C322-C325 PolarHBondContact SG-SG 3.33Å | ||
| 326 | A | 43 | Very low | 63 | Low | 173 Ų | 173 | 99.7 Ų | 99.7 | 100% | 1.43 | 57% | 0.566 | S | S | * | * | trans | -79.1 | 0 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y324 | Y324-A326 PolarHBondContact O-N 2.69Š|
Retrieved 326 of 326 residues in 290.2 ms
(Link to these results)