| 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 | 41.3 | Very low | 67.9 | Low | 247 Ų | 247 | 87.9 Ų | 87.9 | 100% | 1.217 | 46% | 0.455 | S | S | * | . | 0 | 160.7 | 0 | -75.8 | 158.6 | 166.6 | 0 | 0 | 108.3 | E3 | M1-E3 PolarHBondContact O-N 3.44Š| |||
| 2 | V | 51.3 | Low | 69.7 | Low | 138 Ų | 138 | 80.6 Ų | 80.6 | 84% | 0.836 | 42% | 0.417 | S | S | * | . | trans | -83.5 | 111.4 | 179 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | A4 | V2-A4 PolarHBondContact O-N 3.5Š| ||
| 3 | E | 52.3 | Low | 71.2 | Confident | 170 Ų | 170 | 75 Ų | 75 | 79% | 0.794 | 39% | 0.391 | S | S | * | . | trans | -81.6 | 104.3 | 175.4 | -162.9 | 170.8 | 119.8 | 0 | 0 | 109.3 | M1 D5 | M1-E3 PolarHBondContact O-N 3.44Å; E3-D5 VanDerWaalsContact C-N 3.27Å; E3-D5 PolarHBondContact O-N 3.49Å | ||
| 4 | A | 57.8 | Low | 72.3 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | trans | -79.8 | 76 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V2 R6 Q83 | V2-A4 PolarHBondContact O-N 3.5Å; A4-R6 CarbonylContact O-C 3.48Å; A4-R6 PolarHBondContact O-N 3.29Å; A4-Q83 HydrophobicContact CB-CB 4.15Å; A4-Q83 VanDerWaalsContact CB-OE1 3.3Å | ||
| 5 | D | 64.1 | Low | 73.2 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -56.6 | 5.9 | -170.9 | -170.1 | -149.4 | 0 | 0 | 0 | 116.9 | E3 K86 | E3-D5 VanDerWaalsContact C-N 3.27Å; E3-D5 PolarHBondContact O-N 3.49Å; D5-K86 HydrophobicContact CB-CG 4.29Å; D5-K86 VanDerWaalsContact O-CE 3.22Å; D5-K86 WeakPolarHBondContact O-CE 3.29Å; D5-K86 WeakPolarHBondContact OD1-CD 3.28Å; D5-K86 WeakPolarHBondContact OD1-CE 3.4Å; D5-K86 WeakPolarHBondContact OD1-CG 3.33Å; D5-K86 IonicContact OD1-NZ 3.3Å; D5-K86 PolarHBondContact OD1-NZ 3.25Å; D5-K86 WeakPolarHBondContact OD2-CE 3.18Å; D5-K86 IonicContact OD2-NZ 3.6Å; D5-K86 PolarHBondContact OD2-NZ 2.78Å |
| 6 | R | 64.7 | Low | 73.9 | Confident | 118 Ų | 118 | 64.8 Ų | 64.8 | 45% | 0.445 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -145.7 | 91.6 | 158.8 | -75.6 | -166.3 | 173.5 | 120.6 | -0.1 | 109.1 | A4 G8 K9 K86 | A4-R6 CarbonylContact O-C 3.48Å; A4-R6 PolarHBondContact O-N 3.29Å; R6-G8 VanDerWaalsContact C-N 3.29Å; R6-G8 PolarHBondContact O-N 3.03Å; R6-K9 HydrophobicContact CB-CB 4.32Å; R6-K9 PolarHBondContact O-N 3.39Å; R6-K86 HydrophobicContact CG-CG 3.97Å |
| 7 | P | 68.9 | Low | 74.3 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -23 | -164.3 | 28.1 | -36.8 | 0 | 0 | 0 | 114.1 | P59 Q83 | P7-P59 HydrophobicContact CB-CB 3.72Å; P7-P59 HydrophobicContact CG-CB 4.09Å; P7-Q83 PolarHBondContact O-NE2 3.37Å |
| 8 | G | 79.2 | Confident | 74.7 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -5.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R6 F56 | R6-G8 VanDerWaalsContact C-N 3.29Å; R6-G8 PolarHBondContact O-N 3.03Å; G8-F56 PolarHBondContact O-N 3.39Å |
| 9 | K | 88.8 | Confident | 74.9 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130 | 179 | -163.8 | 157.5 | -167.2 | 152.8 | 0 | 111 | R6 E36 T55 A84 | R6-K9 HydrophobicContact CB-CB 4.32Å; R6-K9 PolarHBondContact O-N 3.39Å; K9-E36 IonicContact NZ-OE1 3.89Å; K9-E36 PolarHBondContact NZ-OE1 2.79Å; K9-E36 VanDerWaalsContact NZ-OE1 3.12Å; K9-E36 IonicContact NZ-OE2 3.79Å; K9-E36 PolarHBondContact NZ-OE2 2.97Å; K9-T55 WeakPolarHBondContact CD-OG1 3.36Å; K9-T55 WeakPolarHBondContact CE-OG1 3.19Å; K9-T55 PolarHBondContact NZ-OG1 2.7Å; K9-A84 HydrophobicContact CB-CB 4.16Å; K9-A84 HydrophobicContact CG-CB 4.04Å; K9-A84 WeakPolarHBondContact O-CB 3.35Å; K9-A84 PolarHBondContact O-N 2.78Å |
| 10 | L | 88.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 150.4 | 176 | -58.6 | -169.5 | 0 | 0 | 0 | 111.4 | F53 V54 F56 A62 A65 A66 V81 A82 Q83 | L10-F53 VanDerWaalsContact O-CA 3.24Å; L10-F53 WeakPolarHBondContact O-CA 3.16Å; L10-V54 PolarHBondContact N-O 2.84Å; L10-V54 PolarHBondContact O-N 3.46Å; L10-V54 VanDerWaalsContact O-N 3.07Å; L10-F56 HydrophobicContact CD1-CD2 4.25Å; L10-F56 HydrophobicContact CD1-CE2 3.66Å; L10-F56 HydrophobicContact CG-CD2 4.29Å; L10-F56 HydrophobicContact CG-CE2 4.14Å; L10-A62 HydrophobicContact CD1-CB 4.48Å; L10-A62 WeakPolarHBondContact CD1-O 3.48Å; L10-A62 HydrophobicContact CD2-CB 3.95Å; L10-A62 HydrophobicContact CG-CB 4.12Å; L10-A65 HydrophobicContact CD1-CB 4.13Å; L10-A66 HydrophobicContact CD1-CB 4.1Å; L10-A66 HydrophobicContact CD2-CB 3.86Å; L10-V81 HydrophobicContact CB-CG1 4.37Å; L10-V81 HydrophobicContact CD1-CG1 3.8Å; L10-A82 CarbonylContact C-O 3.55Å; L10-A82 WeakPolarHBondContact CA-O 3.09Å; L10-Q83 HydrophobicContact CD2-CG 3.99Å |
| 11 | F | 89.8 | Confident | 75.9 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.7 | 163.9 | 168.1 | -94.9 | 0 | 0 | 0 | 108.4 | F51 F53 V81 A82 A84 | F11-F51 HydrophobicContact CE2-CB 3.69Å; F11-F51 AromaticContact CE2-CD2 3.98Å; F11-F51 HydrophobicContact CE2-CD2 3.98Å; F11-F51 HydrophobicContact CE2-CG 4.06Å; F11-F51 HydrophobicContact CZ-CB 3.97Å; F11-F53 HydrophobicContact CB-CD1 4.15Å; F11-F53 HydrophobicContact CB-CE1 4.03Å; F11-F53 HydrophobicContact CD2-CD1 4.25Å; F11-F53 AromaticContact CD2-CE1 3.68Å; F11-F53 HydrophobicContact CD2-CE1 3.68Å; F11-F53 AromaticContact CD2-CZ 3.83Å; F11-F53 HydrophobicContact CD2-CZ 3.83Å; F11-F53 HydrophobicContact CE2-CZ 4.47Å; F11-F53 HydrophobicContact CG-CE1 4.34Å; F11-V81 WeakPolarHBondContact O-CA 3.38Å; F11-A82 PolarHBondContact N-O 2.96Å; F11-A82 PolarHBondContact O-N 2.85Å; F11-A84 HydrophobicContact CB-CB 4.36Å |
| 12 | I | 89 | Confident | 78.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.7 | 176.3 | -55.8 | 158.3 | 0 | 0 | 0 | 106.7 | L15 L24 F28 F51 A52 V54 I79 K80 V81 | I12-L15 HydrophobicContact CG2-CD1 4.06Å; I12-L15 HydrophobicContact CG2-CD2 3.88Å; I12-L15 HydrophobicContact CG2-CG 3.99Å; I12-L24 HydrophobicContact CD1-CD2 4.27Å; I12-F28 HydrophobicContact CD1-CD1 4.25Å; I12-F28 HydrophobicContact CD1-CD2 3.97Å; I12-F28 HydrophobicContact CD1-CE1 3.83Å; I12-F28 HydrophobicContact CD1-CE2 3.53Å; I12-F28 HydrophobicContact CD1-CG 4.33Å; I12-F28 HydrophobicContact CD1-CZ 3.44Å; I12-F28 VanDerWaalsContact CD1-CZ 3.44Å; I12-F28 HydrophobicContact CG1-CE1 4.1Å; I12-F28 HydrophobicContact CG1-CE2 4.25Å; I12-F28 HydrophobicContact CG1-CZ 3.72Å; I12-F28 HydrophobicContact CG2-CE2 4.48Å; I12-F28 HydrophobicContact CG2-CZ 4.24Å; I12-F51 CarbonylContact O-C 3.51Å; I12-F51 WeakPolarHBondContact O-CA 3.44Å; I12-F51 WeakPolarHBondContact O-CB 3.24Å; I12-A52 PolarHBondContact N-O 3.4Å; I12-A52 PolarHBondContact O-N 3.5Å; I12-V54 HydrophobicContact CD1-CB 4.17Å; I12-V54 HydrophobicContact CD1-CG2 3.48Å; I12-V54 VanDerWaalsContact CD1-CG2 3.48Å; I12-I79 HydrophobicContact CG2-CB 4.46Å; I12-K80 WeakPolarHBondContact CA-O 3.21Å; I12-V81 HydrophobicContact CG1-CG1 4.24Å; I12-V81 HydrophobicContact CG1-CG2 4.35Å; I12-V81 HydrophobicContact CG2-CG2 4.41Å |
| 13 | G | 89.6 | Confident | 79.8 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 163.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G50 I79 K80 | G13-G50 CarbonylContact C-O 3.56Å; G13-G50 WeakPolarHBondContact CA-O 3.35Å; G13-I79 CarbonylContact O-C 3.58Å; G13-I79 VanDerWaalsContact O-CA 3.28Å; G13-I79 WeakPolarHBondContact O-CA 3.34Å; G13-K80 PolarHBondContact N-O 3.22Å; G13-K80 PolarHBondContact O-N 3.11Å |
| 14 | G | 86.4 | Confident | 81.4 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 38% | 0.381 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 86.3 | 12.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G50 K77 | G14-G50 PolarHBondContact N-O 2.86Å; G14-K77 WeakPolarHBondContact O-CB 3.41Å |
| 15 | L | 86.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | trans | -66.2 | 158.1 | 176.6 | -63.2 | 167.8 | 0 | 0 | 0 | 111.7 | I12 T19 L24 G50 A52 L74 I79 | I12-L15 HydrophobicContact CG2-CD1 4.06Å; I12-L15 HydrophobicContact CG2-CD2 3.88Å; I12-L15 HydrophobicContact CG2-CG 3.99Å; L15-T19 HydrophobicContact CD2-CG2 4.17Å; L15-L24 HydrophobicContact CD1-CD1 4.03Å; L15-L24 HydrophobicContact CD1-CD2 4.02Å; L15-L24 HydrophobicContact CD2-CD2 3.64Å; L15-G50 PolarHBondContact N-O 3.36Å; L15-G50 VanDerWaalsContact N-O 3.09Å; L15-A52 HydrophobicContact CD1-CB 3.71Å; L15-L74 HydrophobicContact CD2-CD1 4.22Å; L15-I79 HydrophobicContact CD2-CG2 3.65Å; L15-I79 HydrophobicContact CG-CG2 4.35Å | ||
| 16 | N | 83.6 | Confident | 84.1 | Confident | 18 Ų | 18 | 56 Ų | 56 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | trans | -73 | 160.1 | 171.6 | -170.6 | 28.4 | 0 | 0 | 0 | 111.2 | E18 T19 D75 K77 | N16-E18 PolarHBondContact ND2-OE2 2.95Å; N16-E18 PolarHBondContact O-N 3.31Å; N16-T19 WeakPolarHBondContact CA-OG1 3.41Å; N16-T19 VanDerWaalsContact CB-OG1 3.28Å; N16-T19 WeakPolarHBondContact CB-OG1 3.44Å; N16-T19 PolarHBondContact N-OG1 3.28Å; N16-T19 PolarHBondContact O-N 3.39Å; N16-T19 PolarHBondContact O-OG1 2.89Å; N16-D75 HydrophobicContact CB-CB 3.6Å; N16-K77 HydrophobicContact CB-CD 4.04Å; N16-K77 PolarHBondContact OD1-NZ 3.17Å | ||
| 17 | L | 81.5 | Confident | 85.1 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 47% | 0.466 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.6 | 177.1 | -55.7 | -178.7 | 0 | 0 | 0 | 111.9 | S48 | L17-S48 WeakPolarHBondContact CD2-O 3.48Å; L17-S48 WeakPolarHBondContact O-CB 3.27Å; L17-S48 PolarHBondContact O-N 3.47Å; L17-S48 PolarHBondContact O-OG 3.31Å |
| 18 | E | 80.8 | Confident | 85.9 | Confident | 156 Ų | 156 | 49.4 Ų | 49.4 | 73% | 0.729 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -4.5 | -179.4 | -59 | 150.5 | 120.5 | 0 | 0 | 112.5 | N16 D20 | N16-E18 PolarHBondContact ND2-OE2 2.95Å; N16-E18 PolarHBondContact O-N 3.31Å; E18-D20 PolarHBondContact O-N 3.17Å |
| 19 | T | 79.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | trans | -65.4 | 131.1 | 174.8 | -46.8 | 0 | 0 | 0 | 0 | 109.1 | L15 N16 A23 L39 S48 D75 | L15-T19 HydrophobicContact CD2-CG2 4.17Å; N16-T19 WeakPolarHBondContact CA-OG1 3.41Å; N16-T19 VanDerWaalsContact CB-OG1 3.28Å; N16-T19 WeakPolarHBondContact CB-OG1 3.44Å; N16-T19 PolarHBondContact N-OG1 3.28Å; N16-T19 PolarHBondContact O-N 3.39Å; N16-T19 PolarHBondContact O-OG1 2.89Å; T19-A23 HydrophobicContact CG2-CB 4.18Å; T19-L39 WeakPolarHBondContact O-CD1 3.47Å; T19-S48 PolarHBondContact O-OG 3.31Å; T19-D75 WeakPolarHBondContact CB-OD2 3.45Å; T19-D75 WeakPolarHBondContact CG2-OD2 3.21Å; T19-D75 PolarHBondContact OG1-OD2 3.26Å | ||
| 20 | D | 85.1 | Confident | 86.2 | Confident | 83 Ų | 83 | 55.5 Ų | 55.5 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | trans | -105.7 | 161.5 | -178.8 | -104.3 | -34.9 | 0 | 0 | 0 | 113.6 | E18 K22 A23 L24 K41 | E18-D20 PolarHBondContact O-N 3.17Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 2.91Å; D20-A23 WeakPolarHBondContact O-CB 3.28Å; D20-A23 PolarHBondContact O-N 2.83Å; D20-L24 PolarHBondContact O-N 2.79Å; D20-K41 IonicContact OD1-NZ 2.7Å; D20-K41 PolarHBondContact OD1-NZ 3.37Å | ||
| 21 | E | 86.4 | Confident | 86 | Confident | 84 Ų | 84 | 58.3 Ų | 58.3 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.2 | -40.8 | 178.6 | -177.5 | 149.5 | 90.6 | 0 | 0 | 112.8 | A23 L24 E25 V37 L39 | E21-A23 VanDerWaalsContact C-N 3.29Å; E21-A23 PolarHBondContact O-N 3.26Å; E21-L24 WeakPolarHBondContact O-CB 3.48Å; E21-L24 PolarHBondContact O-N 3.3Å; E21-L24 VanDerWaalsContact O-N 3.16Å; E21-E25 PolarHBondContact O-N 3.1Å; E21-V37 HydrophobicContact CG-CB 3.74Å; E21-V37 HydrophobicContact CG-CG1 3.7Å; E21-V37 HydrophobicContact CG-CG2 4.42Å; E21-L39 HydrophobicContact CB-CD1 4.48Å; E21-L39 PolarHBondContact OE2-N 3.48Å |
| 22 | K | 86.9 | Confident | 85.8 | Confident | 168 Ų | 168 | 55.9 Ų | 55.9 | 73% | 0.73 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.9 | -31.4 | 176.8 | -63.9 | -176 | 177.6 | -176.8 | 0 | 113.4 | D20 A26 | D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 2.91Å; K22-A26 VanDerWaalsContact O-CB 3.28Å; K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 2.75Å |
| 23 | A | 86.6 | Confident | 85.8 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T19 D20 E21 E27 | T19-A23 HydrophobicContact CG2-CB 4.18Å; D20-A23 WeakPolarHBondContact O-CB 3.28Å; D20-A23 PolarHBondContact O-N 2.83Å; E21-A23 VanDerWaalsContact C-N 3.29Å; E21-A23 PolarHBondContact O-N 3.26Å; A23-E27 VanDerWaalsContact O-CB 3.27Å; A23-E27 WeakPolarHBondContact O-CB 3.4Å; A23-E27 PolarHBondContact O-N 2.72Å |
| 24 | L | 86.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 170.9 | -64.3 | 179 | 0 | 0 | 0 | 111.6 | I12 L15 D20 E21 A26 E27 F28 V37 L39 A52 | I12-L24 HydrophobicContact CD1-CD2 4.27Å; L15-L24 HydrophobicContact CD1-CD1 4.03Å; L15-L24 HydrophobicContact CD1-CD2 4.02Å; L15-L24 HydrophobicContact CD2-CD2 3.64Å; D20-L24 PolarHBondContact O-N 2.79Å; E21-L24 WeakPolarHBondContact O-CB 3.48Å; E21-L24 PolarHBondContact O-N 3.3Å; E21-L24 VanDerWaalsContact O-N 3.16Å; L24-A26 PolarHBondContact O-N 2.84Å; L24-E27 PolarHBondContact O-N 3.45Å; L24-F28 HydrophobicContact CD2-CD2 4.3Å; L24-F28 HydrophobicContact CD2-CE2 4.03Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.37Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.37Å; L24-V37 HydrophobicContact CB-CG1 4.33Å; L24-V37 HydrophobicContact CD1-CG1 4.04Å; L24-L39 HydrophobicContact CD1-CD1 3.91Å; L24-L39 HydrophobicContact CD1-CG 4.27Å; L24-A52 HydrophobicContact CD1-CB 3.35Å |
| 25 | E | 88.7 | Confident | 86 | Confident | 111 Ų | 111 | 69 Ų | 69 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 179.2 | -168 | -176.3 | -178.6 | 0 | 0 | 111.6 | E21 E27 G29 I34 | E21-E25 PolarHBondContact O-N 3.1Å; E25-E27 VanDerWaalsContact C-N 3.35Å; E25-E27 PolarHBondContact O-N 2.68Å; E25-G29 WeakPolarHBondContact O-CA 3.16Å; E25-G29 PolarHBondContact O-N 2.56Å; E25-I34 HydrophobicContact CG-CD1 4.31Å |
| 26 | A | 88.1 | Confident | 86 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K22 L24 K30 | K22-A26 VanDerWaalsContact O-CB 3.28Å; K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 2.75Å; L24-A26 PolarHBondContact O-N 2.84Å; A26-K30 WeakPolarHBondContact O-CE 3.34Å; A26-K30 WeakPolarHBondContact O-CG 3.36Å |
| 27 | E | 86.8 | Confident | 86.3 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -84.1 | -39.2 | -176.8 | -154.7 | 63.5 | -145.6 | 0 | 0 | 112.8 | A23 L24 E25 K30 Y31 M69 L74 | A23-E27 VanDerWaalsContact O-CB 3.27Å; A23-E27 WeakPolarHBondContact O-CB 3.4Å; A23-E27 PolarHBondContact O-N 2.72Å; L24-E27 PolarHBondContact O-N 3.45Å; E25-E27 VanDerWaalsContact C-N 3.35Å; E25-E27 PolarHBondContact O-N 2.68Å; E27-K30 IonicContact OE1-NZ 2.63Å; E27-K30 PolarHBondContact OE1-NZ 2.86Å; E27-K30 IonicContact OE2-NZ 2.69Å; E27-K30 PolarHBondContact OE2-NZ 3.02Å; E27-Y31 WeakPolarHBondContact O-CE2 3.28Å; E27-M69 HydrophobicContact CB-CE 4.36Å; E27-M69 HydrophobicContact CG-CE 3.39Å; E27-M69 HydrophobicContact CG-SD 4.49Å; E27-L74 HydrophobicContact CG-CD2 4.23Å |
| 28 | F | 85.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -85.7 | -25.7 | 179.9 | -75.8 | -93.4 | 0 | 0 | 0 | 113 | I12 L24 K30 Y31 I34 F56 A65 M69 I79 V81 | I12-F28 HydrophobicContact CD1-CD1 4.25Å; I12-F28 HydrophobicContact CD1-CD2 3.97Å; I12-F28 HydrophobicContact CD1-CE1 3.83Å; I12-F28 HydrophobicContact CD1-CE2 3.53Å; I12-F28 HydrophobicContact CD1-CG 4.33Å; I12-F28 HydrophobicContact CD1-CZ 3.44Å; I12-F28 VanDerWaalsContact CD1-CZ 3.44Å; I12-F28 HydrophobicContact CG1-CE1 4.1Å; I12-F28 HydrophobicContact CG1-CE2 4.25Å; I12-F28 HydrophobicContact CG1-CZ 3.72Å; I12-F28 HydrophobicContact CG2-CE2 4.48Å; I12-F28 HydrophobicContact CG2-CZ 4.24Å; L24-F28 HydrophobicContact CD2-CD2 4.3Å; L24-F28 HydrophobicContact CD2-CE2 4.03Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.37Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.37Å; F28-K30 PolarHBondContact O-N 2.69Å; F28-Y31 PolarHBondContact O-N 3.37Å; F28-Y31 VanDerWaalsContact O-N 3.07Å; F28-I34 HydrophobicContact CB-CD1 3.9Å; F28-F56 HydrophobicContact CB-CZ 3.99Å; F28-F56 HydrophobicContact CD1-CE2 4.44Å; F28-F56 HydrophobicContact CD1-CZ 4.17Å; F28-A65 HydrophobicContact CD1-CB 4.26Å; F28-M69 HydrophobicContact CD1-CG 4.41Å; F28-M69 HydrophobicContact CE1-CB 3.92Å; F28-M69 HydrophobicContact CE1-CG 3.92Å; F28-M69 HydrophobicContact CE2-CE 4.13Å; F28-M69 HydrophobicContact CZ-CB 4.01Å; F28-M69 HydrophobicContact CZ-CE 4.15Å; F28-M69 HydrophobicContact CZ-CG 4.18Å; F28-I79 HydrophobicContact CZ-CD1 4.19Å; F28-V81 HydrophobicContact CE1-CG1 4.11Å; F28-V81 HydrophobicContact CE1-CG2 4.08Å; F28-V81 HydrophobicContact CZ-CG2 3.83Å |
| 29 | G | 85.4 | Confident | 87 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | E25 Y31 | E25-G29 WeakPolarHBondContact O-CA 3.16Å; E25-G29 PolarHBondContact O-N 2.56Å; G29-Y31 PolarHBondContact O-N 3.19Å |
| 30 | K | 87.8 | Confident | 87.4 | Confident | 137 Ų | 137 | 67.8 Ų | 67.8 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.8 | 171.3 | -60.4 | 173.7 | -168.3 | 174 | 0 | 113.3 | A26 E27 F28 | A26-K30 WeakPolarHBondContact O-CE 3.34Å; A26-K30 WeakPolarHBondContact O-CG 3.36Å; E27-K30 IonicContact OE1-NZ 2.63Å; E27-K30 PolarHBondContact OE1-NZ 2.86Å; E27-K30 IonicContact OE2-NZ 2.69Å; E27-K30 PolarHBondContact OE2-NZ 3.02Å; F28-K30 PolarHBondContact O-N 2.69Å |
| 31 | Y | 85.2 | Confident | 87.5 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -105.2 | -17.7 | -173.6 | -62.9 | -87.7 | 0 | 0 | 0 | 114.3 | E27 F28 G29 D61 A65 D68 M69 K72 | E27-Y31 WeakPolarHBondContact O-CE2 3.28Å; F28-Y31 PolarHBondContact O-N 3.37Å; F28-Y31 VanDerWaalsContact O-N 3.07Å; G29-Y31 PolarHBondContact O-N 3.19Å; Y31-D61 WeakPolarHBondContact O-CB 3.39Å; Y31-A65 HydrophobicContact CD1-CB 4.22Å; Y31-A65 HydrophobicContact CD2-CB 4.17Å; Y31-A65 HydrophobicContact CG-CB 3.77Å; Y31-D68 HydrophobicContact CE1-CB 3.74Å; Y31-D68 WeakPolarHBondContact CE1-OD1 3.24Å; Y31-D68 PolarHBondContact OH-OD1 2.89Å; Y31-M69 HydrophobicContact CD2-CG 4.29Å; Y31-M69 HydrophobicContact CE2-CG 3.58Å; Y31-M69 HydrophobicContact CE2-SD 3.54Å; Y31-M69 VanDerWaalsContact CE2-SD 3.54Å; Y31-M69 PolarHBondContact OH-SD 2.85Å; Y31-K72 PolarHBondContact OH-NZ 3.32Å |
| 32 | G | 85.5 | Confident | 87.3 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 163.6 | 173.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D61 | G32-D61 WeakPolarHBondContact CA-OD2 3.18Š|
| 33 | R | 89.5 | Confident | 86.8 | Confident | 177 Ų | 177 | 69.9 Ų | 69.9 | 67% | 0.668 | 35% | 0.351 | S | S | * | . | trans | -75.4 | 129.1 | -178.4 | -68.4 | 176.3 | 177 | -176.7 | 0.6 | 111.6 | F56 E57 | R33-F56 WeakPolarHBondContact O-CA 3.42Å; R33-F56 WeakPolarHBondContact O-CD1 3.46Å; R33-E57 HydrophobicContact CB-CB 4.07Å; R33-E57 WeakPolarHBondContact CB-OE2 3.41Å; R33-E57 WeakPolarHBondContact CD-OE2 3.45Å; R33-E57 IonicContact NH1-OE1 3.62Å; R33-E57 IonicContact NH1-OE2 3.18Å; R33-E57 PolarHBondContact NH1-OE2 3.07Å; R33-E57 PolarHBondContact O-N 3.15Å | ||
| 34 | I | 90.2 | Very high | 86.3 | Confident | 42 Ų | 42 | 76.7 Ų | 76.7 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.6 | 175.6 | -62.9 | 168.5 | 0 | 0 | 0 | 108.9 | E25 F28 V37 V54 F56 | E25-I34 HydrophobicContact CG-CD1 4.31Å; F28-I34 HydrophobicContact CB-CD1 3.9Å; I34-V37 HydrophobicContact CG2-CG2 3.73Å; I34-V54 HydrophobicContact CD1-CG1 4.14Å; I34-V54 HydrophobicContact CG1-CG1 3.93Å; I34-V54 HydrophobicContact CG2-CG1 3.95Å; I34-F56 HydrophobicContact CG1-CD1 4.3Å; I34-F56 HydrophobicContact CG1-CE1 4.06Å; I34-F56 HydrophobicContact CG1-CZ 4.38Å |
| 35 | V | 88.9 | Confident | 85.9 | Confident | 100 Ų | 100 | 80.3 Ų | 80.3 | 61% | 0.606 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -34.4 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | T55 E57 | V35-T55 PolarHBondContact N-O 3.13Å; V35-E57 HydrophobicContact CG2-CB 3.82Å; V35-E57 HydrophobicContact CG2-CG 4.46Å |
| 36 | E | 87.6 | Confident | 85.2 | Confident | 75 Ų | 75 | 80.8 Ų | 80.8 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 128.3 | -176.2 | 173.9 | -155 | -168.8 | 0 | 0 | 108.5 | K9 V54 T55 | K9-E36 IonicContact NZ-OE1 3.89Å; K9-E36 PolarHBondContact NZ-OE1 2.79Å; K9-E36 VanDerWaalsContact NZ-OE1 3.12Å; K9-E36 IonicContact NZ-OE2 3.79Å; K9-E36 PolarHBondContact NZ-OE2 2.97Å; E36-V54 WeakPolarHBondContact O-CA 3.4Å; E36-T55 PolarHBondContact N-O 3.23Å; E36-T55 PolarHBondContact O-N 2.91Å; E36-T55 PolarHBondContact OE2-OG1 3Å |
| 37 | V | 90.2 | Very high | 84.5 | Confident | 24 Ų | 24 | 83.5 Ų | 83.5 | 15% | 0.145 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 144.4 | 157.8 | -170.9 | 0 | 0 | 0 | 0 | 107.7 | E21 L24 I34 V54 | E21-V37 HydrophobicContact CG-CB 3.74Å; E21-V37 HydrophobicContact CG-CG1 3.7Å; E21-V37 HydrophobicContact CG-CG2 4.42Å; L24-V37 HydrophobicContact CB-CG1 4.33Å; L24-V37 HydrophobicContact CD1-CG1 4.04Å; I34-V37 HydrophobicContact CG2-CG2 3.73Å; V37-V54 HydrophobicContact CG1-CG2 4.04Å; V37-V54 HydrophobicContact CG2-CG2 4.28Å |
| 38 | L | 88.4 | Confident | 84.2 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 37% | 0.366 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 83.6 | 177.6 | -174.3 | 65.6 | 0 | 0 | 0 | 109.1 | M40 A52 F53 | L38-M40 HydrophobicContact CD2-CE 3.65Å; L38-M40 HydrophobicContact CG-CE 3.95Å; L38-A52 WeakPolarHBondContact O-CA 3.2Å; L38-F53 HydrophobicContact CB-CB 4.48Å; L38-F53 PolarHBondContact N-O 2.67Å; L38-F53 PolarHBondContact O-N 3.28Å |
| 39 | L | 89.1 | Confident | 83.9 | Confident | 20 Ų | 20 | 88.4 Ų | 88.4 | 11% | 0.105 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 119.4 | 178.1 | -160.3 | 163.5 | 0 | 0 | 0 | 110.6 | T19 E21 L24 K41 S48 A52 | T19-L39 WeakPolarHBondContact O-CD1 3.47Å; E21-L39 HydrophobicContact CB-CD1 4.48Å; E21-L39 PolarHBondContact OE2-N 3.48Å; L24-L39 HydrophobicContact CD1-CD1 3.91Å; L24-L39 HydrophobicContact CD1-CG 4.27Å; L39-K41 HydrophobicContact CD2-CD 4.4Å; L39-K41 HydrophobicContact CD2-CG 3.62Å; L39-K41 PolarHBondContact O-N 2.58Å; L39-K41 VanDerWaalsContact O-N 3.11Å; L39-S48 WeakPolarHBondContact CD2-OG 3.28Å; L39-A52 HydrophobicContact CB-CB 4.25Å; L39-A52 HydrophobicContact CG-CB 4.1Å |
| 40 | M | 86.4 | Confident | 83.8 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 29% | 0.291 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 92.5 | -174.3 | -70 | -82.7 | 175.7 | 0 | 0 | 110.8 | L38 R49 F51 F53 | L38-M40 HydrophobicContact CD2-CE 3.65Å; L38-M40 HydrophobicContact CG-CE 3.95Å; M40-R49 WeakPolarHBondContact O-CB 3.31Å; M40-R49 WeakPolarHBondContact O-CG 3.49Å; M40-R49 PolarHBondContact O-N 3.2Å; M40-F51 HydrophobicContact CB-CD2 3.9Å; M40-F51 HydrophobicContact CB-CE2 3.6Å; M40-F51 HydrophobicContact CB-CZ 3.96Å; M40-F51 HydrophobicContact CG-CD2 3.9Å; M40-F51 HydrophobicContact CG-CE2 3.52Å; M40-F51 HydrophobicContact CG-CZ 4.27Å; M40-F51 PolarHBondContact N-O 3.05Å; M40-F51 VanDerWaalsContact N-O 3.16Å; M40-F53 HydrophobicContact CE-CD2 4.15Å; M40-F53 HydrophobicContact CE-CE2 4.1Å; M40-F53 HydrophobicContact CG-CD2 4.45Å; M40-F53 HydrophobicContact CG-CE2 4.38Å |
| 41 | K | 86.9 | Confident | 83.8 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 40% | 0.404 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 151.4 | 171.7 | -57.3 | -163.9 | 177.4 | -172.6 | 0 | 111.8 | D20 L39 | D20-K41 IonicContact OD1-NZ 2.7Å; D20-K41 PolarHBondContact OD1-NZ 3.37Å; L39-K41 HydrophobicContact CD2-CD 4.4Å; L39-K41 HydrophobicContact CD2-CG 3.62Å; L39-K41 PolarHBondContact O-N 2.58Å; L39-K41 VanDerWaalsContact O-N 3.11Å |
| 42 | D | 82.8 | Confident | 84 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | trans | -79.6 | 135 | 173.1 | 179.5 | -99.3 | 0 | 0 | 0 | 110.6 | E44 T45 N46 K47 R49 | D42-E44 PolarHBondContact OD1-N 2.89Å; D42-T45 WeakPolarHBondContact OD1-CB 3.22Å; D42-T45 PolarHBondContact OD1-N 3.09Å; D42-T45 PolarHBondContact OD1-OG1 2.84Å; D42-N46 WeakPolarHBondContact O-CA 3.3Å; D42-N46 PolarHBondContact O-N 2.85Å; D42-K47 WeakPolarHBondContact CB-O 3.43Å; D42-K47 PolarHBondContact N-O 3.3Å; D42-R49 HydrophobicContact CB-CG 4.11Å | ||
| 43 | R | 75.4 | Confident | 84.3 | Confident | 234 Ų | 234 | 81.7 Ų | 81.7 | 88% | 0.883 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -27.7 | -169.9 | -172.5 | 175.8 | 174.9 | -158.5 | -2.9 | 114 | ||
| 44 | E | 77.8 | Confident | 84.3 | Confident | 186 Ų | 186 | 73.3 Ų | 73.3 | 87% | 0.869 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -40.6 | 179.7 | -67.2 | -177.5 | 95.9 | 0 | 0 | 111.2 | D42 | D42-E44 PolarHBondContact OD1-N 2.89Š|
| 45 | T | 76.8 | Confident | 84.3 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -9.8 | -175 | 65.4 | 0 | 0 | 0 | 0 | 114.6 | D42 K47 | D42-T45 WeakPolarHBondContact OD1-CB 3.22Å; D42-T45 PolarHBondContact OD1-N 3.09Å; D42-T45 PolarHBondContact OD1-OG1 2.84Å; T45-K47 PolarHBondContact O-N 3.22Å |
| 46 | N | 74.8 | Confident | 84.3 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 65% | 0.647 | 32% | 0.32 | S | S | * | . | trans | 56.6 | 9.7 | -172.1 | -75 | -87.1 | 0 | 0 | 0 | 115.6 | D42 | D42-N46 WeakPolarHBondContact O-CA 3.3Å; D42-N46 PolarHBondContact O-N 2.85Å | ||
| 47 | K | 74.3 | Confident | 84.4 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 52% | 0.522 | 33% | 0.329 | S | S | . | . | trans | -78.1 | 137 | 179.2 | -67.6 | 170.6 | -176.2 | 177.3 | 0 | 110.5 | D42 T45 R49 | D42-K47 WeakPolarHBondContact CB-O 3.43Å; D42-K47 PolarHBondContact N-O 3.3Å; T45-K47 PolarHBondContact O-N 3.22Å; K47-R49 PolarHBondContact O-N 3.45Å | ||
| 48 | S | 79.4 | Confident | 84.2 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 129.3 | 172.2 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | L17 T19 L39 G50 | L17-S48 WeakPolarHBondContact CD2-O 3.48Å; L17-S48 WeakPolarHBondContact O-CB 3.27Å; L17-S48 PolarHBondContact O-N 3.47Å; L17-S48 PolarHBondContact O-OG 3.31Å; T19-S48 PolarHBondContact O-OG 3.31Å; L39-S48 WeakPolarHBondContact CD2-OG 3.28Å; S48-G50 PolarHBondContact O-N 2.91Å |
| 49 | R | 79 | Confident | 84.1 | Confident | 150 Ų | 150 | 70.3 Ų | 70.3 | 57% | 0.566 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 13 | -176.6 | -61 | 175.4 | 69.9 | -174.9 | 3.6 | 113.6 | M40 D42 K47 F51 | M40-R49 WeakPolarHBondContact O-CB 3.31Å; M40-R49 WeakPolarHBondContact O-CG 3.49Å; M40-R49 PolarHBondContact O-N 3.2Å; D42-R49 HydrophobicContact CB-CG 4.11Å; K47-R49 PolarHBondContact O-N 3.45Å; R49-F51 VanDerWaalsContact C-N 3.28Å; R49-F51 HydrophobicContact CB-CD1 3.91Å; R49-F51 HydrophobicContact CB-CE1 3.56Å; R49-F51 HydrophobicContact CB-CZ 4.32Å; R49-F51 VanDerWaalsContact O-CD1 3.28Å; R49-F51 WeakPolarHBondContact O-CD1 3.4Å; R49-F51 PolarHBondContact O-N 2.84Å |
| 50 | G | 84.1 | Confident | 83.9 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.1 | 10.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G13 G14 L15 S48 | G13-G50 CarbonylContact C-O 3.56Å; G13-G50 WeakPolarHBondContact CA-O 3.35Å; G14-G50 PolarHBondContact N-O 2.86Å; L15-G50 PolarHBondContact N-O 3.36Å; L15-G50 VanDerWaalsContact N-O 3.09Å; S48-G50 PolarHBondContact O-N 2.91Å |
| 51 | F | 87.6 | Confident | 84 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 22% | 0.219 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 153.9 | 175.5 | 65.8 | -86.2 | 0 | 0 | 0 | 114.1 | F11 I12 M40 R49 F53 | F11-F51 HydrophobicContact CE2-CB 3.69Å; F11-F51 AromaticContact CE2-CD2 3.98Å; F11-F51 HydrophobicContact CE2-CD2 3.98Å; F11-F51 HydrophobicContact CE2-CG 4.06Å; F11-F51 HydrophobicContact CZ-CB 3.97Å; I12-F51 CarbonylContact O-C 3.51Å; I12-F51 WeakPolarHBondContact O-CA 3.44Å; I12-F51 WeakPolarHBondContact O-CB 3.24Å; M40-F51 HydrophobicContact CB-CD2 3.9Å; M40-F51 HydrophobicContact CB-CE2 3.6Å; M40-F51 HydrophobicContact CB-CZ 3.96Å; M40-F51 HydrophobicContact CG-CD2 3.9Å; M40-F51 HydrophobicContact CG-CE2 3.52Å; M40-F51 HydrophobicContact CG-CZ 4.27Å; M40-F51 PolarHBondContact N-O 3.05Å; M40-F51 VanDerWaalsContact N-O 3.16Å; R49-F51 VanDerWaalsContact C-N 3.28Å; R49-F51 HydrophobicContact CB-CD1 3.91Å; R49-F51 HydrophobicContact CB-CE1 3.56Å; R49-F51 HydrophobicContact CB-CZ 4.32Å; R49-F51 VanDerWaalsContact O-CD1 3.28Å; R49-F51 WeakPolarHBondContact O-CD1 3.4Å; R49-F51 PolarHBondContact O-N 2.84Å; F51-F53 HydrophobicContact CD2-CE2 4.13Å; F51-F53 HydrophobicContact CE2-CE2 4.2Å |
| 52 | A | 89.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 164.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I12 L15 L24 L38 L39 | I12-A52 PolarHBondContact N-O 3.4Å; I12-A52 PolarHBondContact O-N 3.5Å; L15-A52 HydrophobicContact CD1-CB 3.71Å; L24-A52 HydrophobicContact CD1-CB 3.35Å; L38-A52 WeakPolarHBondContact O-CA 3.2Å; L39-A52 HydrophobicContact CB-CB 4.25Å; L39-A52 HydrophobicContact CG-CB 4.1Å |
| 53 | F | 90.4 | Very high | 84.1 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 20% | 0.202 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 145.4 | 164.7 | -60.2 | -93.6 | 0 | 0 | 0 | 109.8 | L10 F11 L38 M40 F51 A84 | L10-F53 VanDerWaalsContact O-CA 3.24Å; L10-F53 WeakPolarHBondContact O-CA 3.16Å; F11-F53 HydrophobicContact CB-CD1 4.15Å; F11-F53 HydrophobicContact CB-CE1 4.03Å; F11-F53 HydrophobicContact CD2-CD1 4.25Å; F11-F53 AromaticContact CD2-CE1 3.68Å; F11-F53 HydrophobicContact CD2-CE1 3.68Å; F11-F53 AromaticContact CD2-CZ 3.83Å; F11-F53 HydrophobicContact CD2-CZ 3.83Å; F11-F53 HydrophobicContact CE2-CZ 4.47Å; F11-F53 HydrophobicContact CG-CE1 4.34Å; L38-F53 HydrophobicContact CB-CB 4.48Å; L38-F53 PolarHBondContact N-O 2.67Å; L38-F53 PolarHBondContact O-N 3.28Å; M40-F53 HydrophobicContact CE-CD2 4.15Å; M40-F53 HydrophobicContact CE-CE2 4.1Å; M40-F53 HydrophobicContact CG-CD2 4.45Å; M40-F53 HydrophobicContact CG-CE2 4.38Å; F51-F53 HydrophobicContact CD2-CE2 4.13Å; F51-F53 HydrophobicContact CE2-CE2 4.2Å; F53-A84 HydrophobicContact CD1-CB 4.03Å; F53-A84 HydrophobicContact CE1-CB 4.24Å |
| 54 | V | 90.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.1 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 108.1 | L10 I12 I34 E36 V37 F56 | L10-V54 PolarHBondContact N-O 2.84Å; L10-V54 PolarHBondContact O-N 3.46Å; L10-V54 VanDerWaalsContact O-N 3.07Å; I12-V54 HydrophobicContact CD1-CB 4.17Å; I12-V54 HydrophobicContact CD1-CG2 3.48Å; I12-V54 VanDerWaalsContact CD1-CG2 3.48Å; I34-V54 HydrophobicContact CD1-CG1 4.14Å; I34-V54 HydrophobicContact CG1-CG1 3.93Å; I34-V54 HydrophobicContact CG2-CG1 3.95Å; E36-V54 WeakPolarHBondContact O-CA 3.4Å; V37-V54 HydrophobicContact CG1-CG2 4.04Å; V37-V54 HydrophobicContact CG2-CG2 4.28Å; V54-F56 HydrophobicContact CB-CE2 4.4Å; V54-F56 HydrophobicContact CG1-CD2 3.9Å; V54-F56 HydrophobicContact CG1-CE2 3.58Å; V54-F56 HydrophobicContact CG1-CZ 4.19Å |
| 55 | T | 89.6 | Confident | 85 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 17% | 0.172 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.1 | 173.7 | -49.4 | 0 | 0 | 0 | 0 | 108.3 | K9 V35 E36 | K9-T55 WeakPolarHBondContact CD-OG1 3.36Å; K9-T55 WeakPolarHBondContact CE-OG1 3.19Å; K9-T55 PolarHBondContact NZ-OG1 2.7Å; V35-T55 PolarHBondContact N-O 3.13Å; E36-T55 PolarHBondContact N-O 3.23Å; E36-T55 PolarHBondContact O-N 2.91Å; E36-T55 PolarHBondContact OE2-OG1 3Å |
| 56 | F | 90.3 | Very high | 85.5 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 156.3 | 173.1 | -74.4 | -98 | 0 | 0 | 0 | 111.3 | G8 L10 F28 R33 I34 V54 S58 D61 A62 A65 | G8-F56 PolarHBondContact O-N 3.39Å; L10-F56 HydrophobicContact CD1-CD2 4.25Å; L10-F56 HydrophobicContact CD1-CE2 3.66Å; L10-F56 HydrophobicContact CG-CD2 4.29Å; L10-F56 HydrophobicContact CG-CE2 4.14Å; F28-F56 HydrophobicContact CB-CZ 3.99Å; F28-F56 HydrophobicContact CD1-CE2 4.44Å; F28-F56 HydrophobicContact CD1-CZ 4.17Å; R33-F56 WeakPolarHBondContact O-CA 3.42Å; R33-F56 WeakPolarHBondContact O-CD1 3.46Å; I34-F56 HydrophobicContact CG1-CD1 4.3Å; I34-F56 HydrophobicContact CG1-CE1 4.06Å; I34-F56 HydrophobicContact CG1-CZ 4.38Å; V54-F56 HydrophobicContact CB-CE2 4.4Å; V54-F56 HydrophobicContact CG1-CD2 3.9Å; V54-F56 HydrophobicContact CG1-CE2 3.58Å; V54-F56 HydrophobicContact CG1-CZ 4.19Å; F56-S58 WeakPolarHBondContact CB-O 3.08Å; F56-D61 HydrophobicContact CD1-CB 4.22Å; F56-A62 HydrophobicContact CB-CB 4.09Å; F56-A62 HydrophobicContact CD2-CB 3.8Å; F56-A62 HydrophobicContact CG-CB 4.1Å; F56-A65 HydrophobicContact CE2-CB 4.36Å; F56-A65 HydrophobicContact CZ-CB 3.94Å |
| 57 | E | 88.8 | Confident | 86 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -66.5 | -41 | 169.3 | -168.5 | 179.5 | 167.9 | 0 | 0 | 110.5 | R33 V35 | R33-E57 HydrophobicContact CB-CB 4.07Å; R33-E57 WeakPolarHBondContact CB-OE2 3.41Å; R33-E57 WeakPolarHBondContact CD-OE2 3.45Å; R33-E57 IonicContact NH1-OE1 3.62Å; R33-E57 IonicContact NH1-OE2 3.18Å; R33-E57 PolarHBondContact NH1-OE2 3.07Å; R33-E57 PolarHBondContact O-N 3.15Å; V35-E57 HydrophobicContact CG2-CB 3.82Å; V35-E57 HydrophobicContact CG2-CG 4.46Å |
| 58 | S | 86.8 | Confident | 86.6 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 22% | 0.217 | 27% | 0.27 | C | S | . | . | trans | -105 | 128.4 | -179.2 | 165.7 | 0 | 0 | 0 | 0 | 112.4 | F56 A60 D61 A62 | F56-S58 WeakPolarHBondContact CB-O 3.08Å; S58-A60 VanDerWaalsContact C-N 3.27Å; S58-A60 PolarHBondContact O-N 3.26Å; S58-A60 PolarHBondContact OG-N 3.31Å; S58-D61 WeakPolarHBondContact CB-OD1 3.16Å; S58-D61 WeakPolarHBondContact CB-OD2 3.22Å; S58-D61 PolarHBondContact OG-N 2.9Å; S58-D61 PolarHBondContact OG-OD1 2.84Å; S58-A62 PolarHBondContact O-N 2.83Å | ||
| 59 | P | 85.6 | Confident | 86.8 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.3 | -18.8 | 172.8 | 29.7 | -34.2 | 0 | 0 | 0 | 113.4 | P7 K63 | P7-P59 HydrophobicContact CB-CB 3.72Å; P7-P59 HydrophobicContact CG-CB 4.09Å; P59-K63 WeakPolarHBondContact O-CB 3.47Å; P59-K63 PolarHBondContact O-N 3.27Å |
| 60 | A | 86.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 49 Ų | 49 | 53% | 0.529 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72.5 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S58 K63 A64 | S58-A60 VanDerWaalsContact C-N 3.27Å; S58-A60 PolarHBondContact O-N 3.26Å; S58-A60 PolarHBondContact OG-N 3.31Å; A60-K63 CarbonylContact O-C 3.43Å; A60-K63 WeakPolarHBondContact O-CB 3.4Å; A60-K63 PolarHBondContact O-N 3.01Å; A60-K63 VanDerWaalsContact O-N 3.11Å; A60-A64 PolarHBondContact O-N 3.49Å |
| 61 | D | 87 | Confident | 86.9 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 178.7 | -55.8 | 19.8 | 0 | 0 | 0 | 110.1 | Y31 G32 F56 S58 K63 A64 A65 | Y31-D61 WeakPolarHBondContact O-CB 3.39Å; G32-D61 WeakPolarHBondContact CA-OD2 3.18Å; F56-D61 HydrophobicContact CD1-CB 4.22Å; S58-D61 WeakPolarHBondContact CB-OD1 3.16Å; S58-D61 WeakPolarHBondContact CB-OD2 3.22Å; S58-D61 PolarHBondContact OG-N 2.9Å; S58-D61 PolarHBondContact OG-OD1 2.84Å; D61-K63 VanDerWaalsContact C-N 3.27Å; D61-K63 PolarHBondContact O-N 3.44Å; D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 3.16Å; D61-A64 VanDerWaalsContact O-N 3.08Å; D61-A65 WeakPolarHBondContact O-CB 3.35Å; D61-A65 PolarHBondContact O-N 3.24Å |
| 62 | A | 86.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54 | -44 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 F56 S58 A66 | L10-A62 HydrophobicContact CD1-CB 4.48Å; L10-A62 WeakPolarHBondContact CD1-O 3.48Å; L10-A62 HydrophobicContact CD2-CB 3.95Å; L10-A62 HydrophobicContact CG-CB 4.12Å; F56-A62 HydrophobicContact CB-CB 4.09Å; F56-A62 HydrophobicContact CD2-CB 3.8Å; F56-A62 HydrophobicContact CG-CB 4.1Å; S58-A62 PolarHBondContact O-N 2.83Å; A62-A66 WeakPolarHBondContact O-CB 3.39Å; A62-A66 PolarHBondContact O-N 3.03Å |
| 63 | K | 86.2 | Confident | 86.3 | Confident | 122 Ų | 122 | 56.3 Ų | 56.3 | 53% | 0.53 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.1 | -30.3 | 178.4 | -170.2 | 179 | -178.2 | -179.6 | 0 | 112.8 | P59 A60 D61 R67 | P59-K63 WeakPolarHBondContact O-CB 3.47Å; P59-K63 PolarHBondContact O-N 3.27Å; A60-K63 CarbonylContact O-C 3.43Å; A60-K63 WeakPolarHBondContact O-CB 3.4Å; A60-K63 PolarHBondContact O-N 3.01Å; A60-K63 VanDerWaalsContact O-N 3.11Å; D61-K63 VanDerWaalsContact C-N 3.27Å; D61-K63 PolarHBondContact O-N 3.44Å; K63-R67 VanDerWaalsContact O-CG 3.3Å; K63-R67 WeakPolarHBondContact O-CG 3.35Å; K63-R67 PolarHBondContact O-N 3.3Å |
| 64 | A | 86.1 | Confident | 85.6 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.7 | -53.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A60 D61 A66 R67 D68 | A60-A64 PolarHBondContact O-N 3.49Å; D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 3.16Å; D61-A64 VanDerWaalsContact O-N 3.08Å; A64-A66 VanDerWaalsContact C-N 3.3Å; A64-A66 PolarHBondContact O-N 3.36Å; A64-R67 PolarHBondContact O-N 3.04Å; A64-D68 PolarHBondContact O-N 2.81Å |
| 65 | A | 86.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.4 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 F28 Y31 F56 D61 R67 D68 M69 | L10-A65 HydrophobicContact CD1-CB 4.13Å; F28-A65 HydrophobicContact CD1-CB 4.26Å; Y31-A65 HydrophobicContact CD1-CB 4.22Å; Y31-A65 HydrophobicContact CD2-CB 4.17Å; Y31-A65 HydrophobicContact CG-CB 3.77Å; F56-A65 HydrophobicContact CE2-CB 4.36Å; F56-A65 HydrophobicContact CZ-CB 3.94Å; D61-A65 WeakPolarHBondContact O-CB 3.35Å; D61-A65 PolarHBondContact O-N 3.24Å; A65-R67 PolarHBondContact O-N 3.46Å; A65-D68 PolarHBondContact O-N 2.94Å; A65-M69 VanDerWaalsContact O-CB 3.24Å; A65-M69 WeakPolarHBondContact O-CB 3.19Å; A65-M69 PolarHBondContact O-N 2.67Å |
| 66 | A | 87.1 | Confident | 84.3 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 12% | 0.124 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.7 | -21.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L10 A62 A64 N70 V81 | L10-A66 HydrophobicContact CD1-CB 4.1Å; L10-A66 HydrophobicContact CD2-CB 3.86Å; A62-A66 WeakPolarHBondContact O-CB 3.39Å; A62-A66 PolarHBondContact O-N 3.03Å; A64-A66 VanDerWaalsContact C-N 3.3Å; A64-A66 PolarHBondContact O-N 3.36Å; A66-N70 WeakPolarHBondContact O-CB 3.48Å; A66-V81 HydrophobicContact CB-CG1 4.06Å |
| 67 | R | 85.2 | Confident | 83.8 | Confident | 207 Ų | 207 | 65.9 Ų | 65.9 | 78% | 0.781 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -90.8 | -34.9 | 175.7 | -69.4 | 178.9 | 82.8 | -168.5 | 5.8 | 112.4 | K63 A64 A65 | K63-R67 VanDerWaalsContact O-CG 3.3Å; K63-R67 WeakPolarHBondContact O-CG 3.35Å; K63-R67 PolarHBondContact O-N 3.3Å; A64-R67 PolarHBondContact O-N 3.04Å; A65-R67 PolarHBondContact O-N 3.46Å |
| 68 | D | 86.1 | Confident | 83.6 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -86.4 | -40.9 | -177 | -164.6 | -104.3 | 0 | 0 | 0 | 113 | Y31 A64 A65 K72 | Y31-D68 HydrophobicContact CE1-CB 3.74Å; Y31-D68 WeakPolarHBondContact CE1-OD1 3.24Å; Y31-D68 PolarHBondContact OH-OD1 2.89Å; A64-D68 PolarHBondContact O-N 2.81Å; A65-D68 PolarHBondContact O-N 2.94Å; D68-K72 WeakPolarHBondContact O-CE 3.21Å; D68-K72 IonicContact OD1-NZ 2.68Å; D68-K72 PolarHBondContact OD1-NZ 2.68Å |
| 69 | M | 83.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -81.9 | -16.9 | -178.6 | -65.5 | -63.5 | -69.4 | 0 | 0 | 114.1 | E27 F28 Y31 A65 G71 K72 I79 V81 | E27-M69 HydrophobicContact CB-CE 4.36Å; E27-M69 HydrophobicContact CG-CE 3.39Å; E27-M69 HydrophobicContact CG-SD 4.49Å; F28-M69 HydrophobicContact CD1-CG 4.41Å; F28-M69 HydrophobicContact CE1-CB 3.92Å; F28-M69 HydrophobicContact CE1-CG 3.92Å; F28-M69 HydrophobicContact CE2-CE 4.13Å; F28-M69 HydrophobicContact CZ-CB 4.01Å; F28-M69 HydrophobicContact CZ-CE 4.15Å; F28-M69 HydrophobicContact CZ-CG 4.18Å; Y31-M69 HydrophobicContact CD2-CG 4.29Å; Y31-M69 HydrophobicContact CE2-CG 3.58Å; Y31-M69 HydrophobicContact CE2-SD 3.54Å; Y31-M69 VanDerWaalsContact CE2-SD 3.54Å; Y31-M69 PolarHBondContact OH-SD 2.85Å; A65-M69 VanDerWaalsContact O-CB 3.24Å; A65-M69 WeakPolarHBondContact O-CB 3.19Å; A65-M69 PolarHBondContact O-N 2.67Å; M69-G71 PolarHBondContact O-N 3.41Å; M69-K72 HydrophobicContact CE-CD 4.3Å; M69-K72 PolarHBondContact O-N 3.11Å; M69-K72 HydrophobicContact SD-CD 3.66Å; M69-K72 PolarHBondContact SD-NZ 3.38Å; M69-K72 VanDerWaalsContact SD-NZ 3.37Å; M69-I79 HydrophobicContact CB-CD1 4.43Å; M69-I79 HydrophobicContact CE-CD1 4.03Å; M69-V81 HydrophobicContact CB-CG2 3.8Å |
| 70 | N | 86.6 | Confident | 83.8 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 41% | 0.406 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 112.4 | -178.4 | 173.5 | 73.3 | 0 | 0 | 0 | 111.8 | A66 K80 V81 | A66-N70 WeakPolarHBondContact O-CB 3.48Å; N70-K80 WeakPolarHBondContact OD1-CG 3.35Å; N70-V81 HydrophobicContact CB-CB 4.06Å; N70-V81 WeakPolarHBondContact CB-O 3.07Å; N70-V81 PolarHBondContact OD1-N 3.16Å; N70-V81 VanDerWaalsContact OD1-N 3.07Å; N70-V81 PolarHBondContact OD1-O 3.17Å |
| 71 | G | 80.4 | Confident | 83.9 | Confident | 54 Ų | 54 | 63 Ų | 63 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | -1.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M69 I79 | M69-G71 PolarHBondContact O-N 3.41Å; G71-I79 WeakPolarHBondContact CA-O 3.36Å; G71-I79 PolarHBondContact N-O 3.31Å |
| 72 | K | 82.6 | Confident | 83.9 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | trans | -70.1 | 162.9 | 171.2 | -72.5 | -171.4 | -175.4 | 163.9 | 0 | 111.5 | Y31 D68 M69 A78 I79 | Y31-K72 PolarHBondContact OH-NZ 3.32Å; D68-K72 WeakPolarHBondContact O-CE 3.21Å; D68-K72 IonicContact OD1-NZ 2.68Å; D68-K72 PolarHBondContact OD1-NZ 2.68Å; M69-K72 HydrophobicContact CE-CD 4.3Å; M69-K72 PolarHBondContact O-N 3.11Å; M69-K72 HydrophobicContact SD-CD 3.66Å; M69-K72 PolarHBondContact SD-NZ 3.38Å; M69-K72 VanDerWaalsContact SD-NZ 3.37Å; K72-A78 CarbonylContact O-C 3.56Å; K72-A78 WeakPolarHBondContact O-CA 3.44Å; K72-I79 HydrophobicContact CB-CG1 4.41Å; K72-I79 WeakPolarHBondContact O-CG1 3.45Å; K72-I79 PolarHBondContact O-N 3.08Å | ||
| 73 | S | 80.4 | Confident | 83.7 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 62% | 0.622 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.3 | 174.7 | -58 | 0 | 0 | 0 | 0 | 111.1 | K77 | S73-K77 CarbonylContact C-O 3.5Å; S73-K77 VanDerWaalsContact CA-O 3.29Å; S73-K77 WeakPolarHBondContact CA-O 3.19Å |
| 74 | L | 75.5 | Confident | 83.3 | Confident | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.4 | 163.8 | -81.2 | 178.1 | 0 | 0 | 0 | 108.7 | L15 E27 G76 K77 I79 | L15-L74 HydrophobicContact CD2-CD1 4.22Å; E27-L74 HydrophobicContact CG-CD2 4.23Å; L74-G76 PolarHBondContact O-N 3.11Å; L74-G76 VanDerWaalsContact O-N 3.1Å; L74-K77 PolarHBondContact N-O 2.72Å; L74-K77 PolarHBondContact O-N 3.25Å; L74-K77 VanDerWaalsContact O-O 3.05Å; L74-I79 HydrophobicContact CB-CG2 4.07Å; L74-I79 HydrophobicContact CD1-CD1 4.1Å; L74-I79 HydrophobicContact CD1-CG2 4.36Å; L74-I79 HydrophobicContact CG-CD1 4.42Å |
| 75 | D | 73.8 | Confident | 82.5 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.2 | 178.9 | -53.7 | -41.9 | 0 | 0 | 0 | 113.4 | N16 T19 K77 | N16-D75 HydrophobicContact CB-CB 3.6Å; T19-D75 WeakPolarHBondContact CB-OD2 3.45Å; T19-D75 WeakPolarHBondContact CG2-OD2 3.21Å; T19-D75 PolarHBondContact OG1-OD2 3.26Å; D75-K77 VanDerWaalsContact C-N 3.26Å; D75-K77 PolarHBondContact O-N 3.07Å |
| 76 | G | 78.4 | Confident | 81.2 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 79% | 0.794 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 2.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | L74 | L74-G76 PolarHBondContact O-N 3.11Å; L74-G76 VanDerWaalsContact O-N 3.1Å |
| 77 | K | 80.6 | Confident | 79.6 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.5 | -178.6 | -71.2 | 171.8 | 177.2 | 169.2 | 0 | 112.1 | G14 N16 S73 L74 D75 I79 | G14-K77 WeakPolarHBondContact O-CB 3.41Å; N16-K77 HydrophobicContact CB-CD 4.04Å; N16-K77 PolarHBondContact OD1-NZ 3.17Å; S73-K77 CarbonylContact C-O 3.5Å; S73-K77 VanDerWaalsContact CA-O 3.29Å; S73-K77 WeakPolarHBondContact CA-O 3.19Å; L74-K77 PolarHBondContact N-O 2.72Å; L74-K77 PolarHBondContact O-N 3.25Å; L74-K77 VanDerWaalsContact O-O 3.05Å; D75-K77 VanDerWaalsContact C-N 3.26Å; D75-K77 PolarHBondContact O-N 3.07Å; K77-I79 PolarHBondContact O-N 2.88Å |
| 78 | A | 84.4 | Confident | 77.8 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 113.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K72 | K72-A78 CarbonylContact O-C 3.56Å; K72-A78 WeakPolarHBondContact O-CA 3.44Å |
| 79 | I | 88.2 | Confident | 75.8 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 42% | 0.42 | C | S | . | . | trans | -83.4 | 141.7 | 175.7 | 58.1 | 155.1 | 0 | 0 | 0 | 111.3 | I12 G13 L15 F28 M69 G71 K72 L74 K77 V81 | I12-I79 HydrophobicContact CG2-CB 4.46Å; G13-I79 CarbonylContact O-C 3.58Å; G13-I79 VanDerWaalsContact O-CA 3.28Å; G13-I79 WeakPolarHBondContact O-CA 3.34Å; L15-I79 HydrophobicContact CD2-CG2 3.65Å; L15-I79 HydrophobicContact CG-CG2 4.35Å; F28-I79 HydrophobicContact CZ-CD1 4.19Å; M69-I79 HydrophobicContact CB-CD1 4.43Å; M69-I79 HydrophobicContact CE-CD1 4.03Å; G71-I79 WeakPolarHBondContact CA-O 3.36Å; G71-I79 PolarHBondContact N-O 3.31Å; K72-I79 HydrophobicContact CB-CG1 4.41Å; K72-I79 WeakPolarHBondContact O-CG1 3.45Å; K72-I79 PolarHBondContact O-N 3.08Å; L74-I79 HydrophobicContact CB-CG2 4.07Å; L74-I79 HydrophobicContact CD1-CD1 4.1Å; L74-I79 HydrophobicContact CD1-CG2 4.36Å; L74-I79 HydrophobicContact CG-CD1 4.42Å; K77-I79 PolarHBondContact O-N 2.88Å; I79-V81 HydrophobicContact CD1-CG2 3.98Å | ||
| 80 | K | 87.9 | Confident | 74 | Confident | 138 Ų | 138 | 74.2 Ų | 74.2 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.8 | 172.9 | -176.4 | 178.4 | -178.4 | 176.8 | 0 | 108.6 | I12 G13 N70 | I12-K80 WeakPolarHBondContact CA-O 3.21Å; G13-K80 PolarHBondContact N-O 3.22Å; G13-K80 PolarHBondContact O-N 3.11Å; N70-K80 WeakPolarHBondContact OD1-CG 3.35Å |
| 81 | V | 89.1 | Confident | 72.3 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 4% | 0.036 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.8 | 178.3 | -168.6 | 0 | 0 | 0 | 0 | 109 | L10 F11 I12 F28 A66 M69 N70 I79 | L10-V81 HydrophobicContact CB-CG1 4.37Å; L10-V81 HydrophobicContact CD1-CG1 3.8Å; F11-V81 WeakPolarHBondContact O-CA 3.38Å; I12-V81 HydrophobicContact CG1-CG1 4.24Å; I12-V81 HydrophobicContact CG1-CG2 4.35Å; I12-V81 HydrophobicContact CG2-CG2 4.41Å; F28-V81 HydrophobicContact CE1-CG1 4.11Å; F28-V81 HydrophobicContact CE1-CG2 4.08Å; F28-V81 HydrophobicContact CZ-CG2 3.83Å; A66-V81 HydrophobicContact CB-CG1 4.06Å; M69-V81 HydrophobicContact CB-CG2 3.8Å; N70-V81 HydrophobicContact CB-CB 4.06Å; N70-V81 WeakPolarHBondContact CB-O 3.07Å; N70-V81 PolarHBondContact OD1-N 3.16Å; N70-V81 VanDerWaalsContact OD1-N 3.07Å; N70-V81 PolarHBondContact OD1-O 3.17Å; I79-V81 HydrophobicContact CD1-CG2 3.98Å |
| 82 | A | 85.9 | Confident | 71 | Confident | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 158.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L10 F11 A84 | L10-A82 CarbonylContact C-O 3.55Å; L10-A82 WeakPolarHBondContact CA-O 3.09Å; F11-A82 PolarHBondContact N-O 2.96Å; F11-A82 PolarHBondContact O-N 2.85Å; A82-A84 PolarHBondContact O-N 3.19Å |
| 83 | Q | 83.6 | Confident | 69.5 | Low | 66 Ų | 66 | 84.5 Ų | 84.5 | 31% | 0.308 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 135.5 | 164.5 | -70.2 | -175.8 | -69.1 | 0 | 0 | 109 | A4 P7 L10 T85 | A4-Q83 HydrophobicContact CB-CB 4.15Å; A4-Q83 VanDerWaalsContact CB-OE1 3.3Å; P7-Q83 PolarHBondContact O-NE2 3.37Å; L10-Q83 HydrophobicContact CD2-CG 3.99Å; Q83-T85 PolarHBondContact O-N 2.86Å |
| 84 | A | 77.6 | Confident | 68.1 | Low | 7 Ų | 7 | 88.9 Ų | 88.9 | 6% | 0.058 | 49% | 0.488 | C | S | . | . | trans | -73.8 | 99.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | K9 F11 F53 A82 K86 | K9-A84 HydrophobicContact CB-CB 4.16Å; K9-A84 HydrophobicContact CG-CB 4.04Å; K9-A84 WeakPolarHBondContact O-CB 3.35Å; K9-A84 PolarHBondContact O-N 2.78Å; F11-A84 HydrophobicContact CB-CB 4.36Å; F53-A84 HydrophobicContact CD1-CB 4.03Å; F53-A84 HydrophobicContact CE1-CB 4.24Å; A82-A84 PolarHBondContact O-N 3.19Å; A84-K86 PolarHBondContact O-N 2.82Å | ||
| 85 | T | 69.4 | Low | 66.9 | Low | 105 Ų | 105 | 90.2 Ų | 90.2 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -47 | 134.3 | 157.7 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | Q83 | Q83-T85 PolarHBondContact O-N 2.86Š|
| 86 | K | 59.5 | Low | 66.5 | Low | 87 Ų | 87 | 91.7 Ų | 91.7 | 38% | 0.378 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 133.5 | 173.2 | -72.3 | -166.3 | -170.2 | 132.4 | 0 | 108.2 | D5 R6 A84 A88 | D5-K86 HydrophobicContact CB-CG 4.29Å; D5-K86 VanDerWaalsContact O-CE 3.22Å; D5-K86 WeakPolarHBondContact O-CE 3.29Å; D5-K86 WeakPolarHBondContact OD1-CD 3.28Å; D5-K86 WeakPolarHBondContact OD1-CE 3.4Å; D5-K86 WeakPolarHBondContact OD1-CG 3.33Å; D5-K86 IonicContact OD1-NZ 3.3Å; D5-K86 PolarHBondContact OD1-NZ 3.25Å; D5-K86 WeakPolarHBondContact OD2-CE 3.18Å; D5-K86 IonicContact OD2-NZ 3.6Å; D5-K86 PolarHBondContact OD2-NZ 2.78Å; R6-K86 HydrophobicContact CG-CG 3.97Å; A84-K86 PolarHBondContact O-N 2.82Å; K86-A88 PolarHBondContact O-N 2.84Å |
| 87 | P | 52.3 | Low | 65.6 | Low | 99 Ų | 99 | 93.4 Ų | 93.4 | 64% | 0.643 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 129.8 | 165 | 26.2 | -32.7 | 0 | 0 | 0 | 106.6 | F89 | P87-F89 PolarHBondContact O-N 3.07Š|
| 88 | A | 47.3 | Very low | 64.8 | Low | 97 Ų | 97 | 94.5 Ų | 94.5 | 80% | 0.802 | 54% | 0.536 | S | S | * | . | trans | -72.2 | 69.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K86 E90 | K86-A88 PolarHBondContact O-N 2.84Å; A88-E90 PolarHBondContact O-N 3.49Å | ||
| 89 | F | 44.6 | Very low | 63.2 | Low | 169 Ų | 169 | 96.8 Ų | 96.8 | 74% | 0.741 | 55% | 0.545 | S | S | * | . | trans | -62.4 | 114 | 162.5 | -177.7 | -118.5 | 0 | 0 | 0 | 106.5 | P87 S91 | P87-F89 PolarHBondContact O-N 3.07Å; F89-S91 PolarHBondContact O-N 2.96Å; F89-S91 PolarHBondContact O-OG 3.2Å | ||
| 90 | E | 45.8 | Very low | 61.5 | Low | 100 Ų | 100 | 107.1 Ų | 107.1 | 47% | 0.467 | 58% | 0.584 | S | S | . | * | trans | -74.6 | 42.1 | -177.6 | -69.1 | -174.4 | 66.3 | 0 | 0 | 112.8 | A88 S92 R94 | A88-E90 PolarHBondContact O-N 3.49Å; E90-S92 PolarHBondContact O-N 2.74Å; E90-S92 VanDerWaalsContact O-N 3.12Å; E90-R94 VanDerWaalsContact CD-NE 3.27Å; E90-R94 WeakPolarHBondContact OE1-CG 3.41Å; E90-R94 IonicContact OE1-CZ 3.12Å; E90-R94 IonicContact OE1-NE 3.47Å; E90-R94 PolarHBondContact OE1-NE 2.95Å; E90-R94 IonicContact OE1-NH2 2.68Å; E90-R94 IonicContact OE2-CZ 2.64Å; E90-R94 VanDerWaalsContact OE2-CZ 3.3Å; E90-R94 IonicContact OE2-NE 2.7Å; E90-R94 PolarHBondContact OE2-NE 3.37Å; E90-R94 IonicContact OE2-NH2 2.67Å; E90-R94 PolarHBondContact OE2-NH2 3.2Å | ||
| 91 | S | 50.3 | Low | 59.5 | Low | 73 Ų | 73 | 105.8 Ų | 105.8 | 51% | 0.51 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.3 | 116.5 | 159.7 | 48.1 | 0 | 0 | 0 | 0 | 109 | F89 R93 | F89-S91 PolarHBondContact O-N 2.96Å; F89-S91 PolarHBondContact O-OG 3.2Å; S91-R93 PolarHBondContact O-N 3.5Å |
| 92 | S | 53.2 | Low | 57.7 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 81% | 0.811 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.8 | 22.8 | 165.8 | -45.7 | 0 | 0 | 0 | 0 | 117.7 | E90 | E90-S92 PolarHBondContact O-N 2.74Å; E90-S92 VanDerWaalsContact O-N 3.12Å |
| 93 | R | 52.3 | Low | 55.5 | Low | 233 Ų | 233 | 117.6 Ų | 117.6 | 88% | 0.879 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -12.6 | 161.7 | -74.3 | -65 | -169 | 175.7 | 1.4 | 115.6 | S91 | S91-R93 PolarHBondContact O-N 3.5Š|
| 94 | R | 49.2 | Very low | 53.6 | Low | 180 Ų | 180 | 125.9 Ų | 125.9 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | trans | -90.3 | 117.3 | 152.8 | -79.2 | -179.1 | -153 | -153.4 | 9.9 | 109.2 | E90 | E90-R94 VanDerWaalsContact CD-NE 3.27Å; E90-R94 WeakPolarHBondContact OE1-CG 3.41Å; E90-R94 IonicContact OE1-CZ 3.12Å; E90-R94 IonicContact OE1-NE 3.47Å; E90-R94 PolarHBondContact OE1-NE 2.95Å; E90-R94 IonicContact OE1-NH2 2.68Å; E90-R94 IonicContact OE2-CZ 2.64Å; E90-R94 VanDerWaalsContact OE2-CZ 3.3Å; E90-R94 IonicContact OE2-NE 2.7Å; E90-R94 PolarHBondContact OE2-NE 3.37Å; E90-R94 IonicContact OE2-NH2 2.67Å; E90-R94 PolarHBondContact OE2-NH2 3.2Å | ||
| 95 | G | 51.4 | Low | 52.1 | Low | 55 Ų | 55 | 130.1 Ų | 130.1 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | trans | -65 | 174.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 96 | P | 64.8 | Low | 51 | Low | 123 Ų | 123 | 136.5 Ų | 136.5 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -52.7 | 143.1 | 172.2 | 24.5 | -34.1 | 0 | 0 | 0 | 110.1 | ||
| 97 | P | 60.5 | Low | 49.9 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 136 | -177.8 | 24.6 | -34 | 0 | 0 | 0 | 109.4 | ||
| 98 | P | 62.8 | Low | 49.6 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 133.7 | -179.9 | 23.7 | -33.6 | 0 | 0 | 0 | 108.6 | R100 | P98-R100 PolarHBondContact O-N 3.18Å; P98-R100 VanDerWaalsContact O-N 3.09Å |
| 99 | P | 52.2 | Low | 49.2 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56 | 124 | -174.1 | 22.2 | -33 | 0 | 0 | 0 | 108.5 | S101 | P99-S101 PolarHBondContact O-N 3.13Š|
| 100 | R | 52.4 | Low | 48.8 | Very low | 219 Ų | 219 | 147.3 Ų | 147.3 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -63 | 91.6 | 176.7 | -74.1 | 177.2 | 68.9 | -172.2 | 2 | 108.3 | P98 R102 | P98-R100 PolarHBondContact O-N 3.18Å; P98-R100 VanDerWaalsContact O-N 3.09Å; R100-R102 WeakPolarHBondContact O-CD 3.22Å; R100-R102 PolarHBondContact O-N 2.77Å; R100-R102 VanDerWaalsContact O-N 3.13Å; R100-R102 PolarHBondContact O-NH1 3.09Å; R100-R102 VanDerWaalsContact O-NH1 3.12Å | ||
| 101 | S | 45.8 | Very low | 48.6 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52 | 118.3 | 171.1 | -55.9 | 0 | 0 | 0 | 0 | 107.3 | P99 G103 | P99-S101 PolarHBondContact O-N 3.13Å; S101-G103 PolarHBondContact O-N 3.12Å |
| 102 | R | 49.9 | Very low | 47.9 | Very low | 217 Ų | 217 | 157.1 Ų | 157.1 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 135.4 | 171.2 | -83.1 | 55.6 | 172.4 | 175.1 | -5.8 | 106.7 | R100 R104 | R100-R102 WeakPolarHBondContact O-CD 3.22Å; R100-R102 PolarHBondContact O-N 2.77Å; R100-R102 VanDerWaalsContact O-N 3.13Å; R100-R102 PolarHBondContact O-NH1 3.09Å; R100-R102 VanDerWaalsContact O-NH1 3.12Å; R102-R104 PolarHBondContact O-N 2.61Å; R102-R104 VanDerWaalsContact O-N 3.11Å |
| 103 | G | 40.1 | Very low | 47 | Very low | 75 Ų | 75 | 155.3 Ų | 155.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 117.3 | -160.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S101 | S101-G103 PolarHBondContact O-N 3.12Š|
| 104 | R | 43.6 | Very low | 46.3 | Very low | 239 Ų | 239 | 148.1 Ų | 148.1 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 127.8 | 152.6 | -78.7 | -172.4 | 167.3 | -153 | -3.6 | 107.2 | R102 | R102-R104 PolarHBondContact O-N 2.61Å; R102-R104 VanDerWaalsContact O-N 3.11Å |
| 105 | P | 46.4 | Very low | 45.7 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 62% | 0.623 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 145.6 | 175.8 | 27.2 | -34 | 0 | 0 | 0 | 109.9 | F107 | P105-F107 HydrophobicContact CG-CE2 4.21Å; P105-F107 PolarHBondContact O-N 3.25Å; P105-F107 VanDerWaalsContact O-N 3.13Å |
| 106 | R | 46.2 | Very low | 44.9 | Very low | 240 Ų | 240 | 145 Ų | 145 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -71.8 | 104.9 | 169.6 | -62 | -179.6 | -165.9 | 141.2 | 2.2 | 108 | L108 | R106-L108 PolarHBondContact O-N 3.22Š| ||
| 107 | F | 36.9 | Very low | 43.4 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -65 | 130.8 | 160 | -74.7 | -79.5 | 0 | 0 | 0 | 108.5 | P105 | P105-F107 HydrophobicContact CG-CE2 4.21Å; P105-F107 PolarHBondContact O-N 3.25Å; P105-F107 VanDerWaalsContact O-N 3.13Å | ||
| 108 | L | 45.5 | Very low | 42.8 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -70.4 | 150.3 | -179.7 | -72.4 | 88.9 | 0 | 0 | 0 | 110.1 | R106 G110 | R106-L108 PolarHBondContact O-N 3.22Å; L108-G110 VanDerWaalsContact C-N 3.27Å; L108-G110 PolarHBondContact O-N 3.45Å | ||
| 109 | R | 40.3 | Very low | 41.6 | Very low | 259 Ų | 259 | 149.2 Ų | 149.2 | 98% | 0.977 | 83% | 0.827 | S | S | * | * | trans | -67.6 | 86.1 | 166.3 | -176.4 | -174.1 | -176.2 | -143.6 | 3.7 | 108.8 | ||||
| 110 | G | 34.4 | Very low | 40.6 | Very low | 69 Ų | 69 | 155.5 Ų | 155.5 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | -123.1 | 125.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L108 | L108-G110 VanDerWaalsContact C-N 3.27Å; L108-G110 PolarHBondContact O-N 3.45Å | ||
| 111 | T | 41.9 | Very low | 40 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 87% | 0.871 | 84% | 0.837 | S | S | * | * | trans | -79.8 | 161.3 | 179.3 | -42.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 112 | R | 36.5 | Very low | 40.1 | Very low | 236 Ų | 236 | 151.5 Ų | 151.5 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | 78.1 | 85.6 | 157.2 | -170 | -174.6 | -80.2 | 173.6 | -7.5 | 117.8 | ||||
| 113 | G | 34.5 | Very low | 39.5 | Very low | 79 Ų | 79 | 147 Ų | 147 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | 78.9 | 148.7 | 115.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 114 | G | 36.8 | Very low | 39.4 | Very low | 82 Ų | 82 | 155 Ų | 155 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | trans | 99.1 | 128.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 115 | G | 36.3 | Very low | 39 | Very low | 82 Ų | 82 | 147.3 Ų | 147.3 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | trans | 77.9 | 139.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 116 | G | 35.4 | Very low | 38.3 | Very low | 88 Ų | 88 | 146.1 Ų | 146.1 | 91% | 0.907 | 85% | 0.847 | S | S | * | * | cis | 102 | 87.2 | -2.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 117 | G | 33.7 | Very low | 38.7 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | 169.2 | 140.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 118 | P | 47.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 84% | 0.838 | S | S | * | * | trans | -109.5 | 153.5 | -164.9 | 39.5 | -34.4 | 0 | 0 | 0 | 117 | ||||
| 119 | R | 37.6 | Very low | 38.7 | Very low | 238 Ų | 238 | 137.8 Ų | 137.8 | 90% | 0.898 | 84% | 0.836 | S | S | * | * | trans | 12.5 | 119.9 | 145.2 | -52.8 | 178.8 | -175.1 | -165.3 | 1.6 | 118.5 | ||||
| 120 | R | 30.6 | Very low | 38.7 | Very low | 249 Ų | 249 | 133.4 Ų | 133.4 | 94% | 0.94 | 83% | 0.832 | S | S | * | * | trans | -166.2 | 116.1 | 138.1 | -113.8 | 170.2 | -168.3 | -117.1 | 1.5 | 113.7 | ||||
| 121 | S | 39.5 | Very low | 38.9 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | 172.2 | 160.8 | 158 | -82.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 122 | P | 49.2 | Very low | 38.5 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | cis | -118.1 | 164.9 | -8.3 | 39 | -27.2 | 0 | 0 | 0 | 113.2 | ||||
| 123 | S | 35.5 | Very low | 38.5 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | trans | -101.4 | 109.7 | 158 | -72.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 124 | R | 39.8 | Very low | 38.8 | Very low | 241 Ų | 241 | 131.9 Ų | 131.9 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | 22 | 110.3 | 143.4 | -165.2 | -179.1 | -167.4 | -164.4 | 3.2 | 117.1 | ||||
| 125 | G | 34.3 | Very low | 38.7 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -76.6 | 171.5 | 166 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 126 | G | 31.5 | Very low | 38.9 | Very low | 71 Ų | 71 | 135.1 Ų | 135.1 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | -129.7 | 154.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 127 | P | 55.2 | Low | 38.7 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | trans | -84.1 | 175 | 173.6 | 36.2 | -33.5 | 0 | 0 | 0 | 111.7 | ||||
| 128 | D | 40.8 | Very low | 39.1 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | 178.6 | 167.7 | 112.9 | -83.8 | -33.7 | 0 | 0 | 0 | 110.4 | |||||
| 129 | D | 41.4 | Very low | 38.8 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -68.8 | 160.4 | -177.5 | -77.5 | -108.4 | 0 | 0 | 0 | 113.9 | ||||
| 130 | D | 41 | Very low | 38.9 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | -174.5 | 166.9 | 106.2 | -127.4 | -54.6 | 0 | 0 | 0 | 113.6 | |||||
| 131 | G | 37.5 | Very low | 39.5 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -93.4 | 163.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 132 | G | 32.8 | Very low | 39.6 | Very low | 83 Ų | 83 | 137 Ų | 137 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -169 | 139.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 133 | Y | 37.5 | Very low | 39.1 | Very low | 240 Ų | 240 | 143 Ų | 143 | 94% | 0.941 | 82% | 0.82 | S | S | * | * | trans | -112.9 | 111.2 | -175.2 | -178.6 | -82.7 | 0 | 0 | 0 | 111.4 | ||||
| 134 | A | 40.4 | Very low | 39.3 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -168.4 | 155.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 135 | G | 34.8 | Very low | 39.6 | Very low | 69 Ų | 69 | 135.5 Ų | 135.5 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | cis | 146.4 | 129 | 0.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 136 | D | 40.8 | Very low | 40.4 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | 74.6 | 159.9 | 167.9 | -110.1 | -67.6 | 0 | 0 | 0 | 122.3 | ||||
| 137 | F | 31.9 | Very low | 41.3 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -91.2 | 144.5 | -172.9 | -86.6 | -128 | 0 | 0 | 0 | 111.9 | ||||
| 138 | D | 42.2 | Very low | 41.3 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | -141.6 | 112.9 | 156.5 | -149.3 | -24.1 | 0 | 0 | 0 | 112.6 | R140 | D138-R140 PolarHBondContact O-N 2.9Š| ||
| 139 | L | 40.9 | Very low | 41.5 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 80% | 0.801 | 83% | 0.825 | S | S | * | * | trans | -88.1 | 88.7 | -171.9 | -81.8 | 157.3 | 0 | 0 | 0 | 111 | ||||
| 140 | R | 39.5 | Very low | 41.7 | Very low | 215 Ų | 215 | 153.3 Ų | 153.3 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -110 | 107.7 | 174.8 | -53.3 | -166.8 | 85.9 | -174.4 | 10.1 | 111.3 | D138 S142 | D138-R140 PolarHBondContact O-N 2.9Å; R140-S142 PolarHBondContact O-N 3.2Å | ||
| 141 | P | 43.3 | Very low | 42.3 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -70.2 | 125.9 | -176.3 | 27 | -33.7 | 0 | 0 | 0 | 112 | R143 | P141-R143 PolarHBondContact O-N 2.87Å; P141-R143 VanDerWaalsContact O-N 3.17Å | ||
| 142 | S | 41.2 | Very low | 43.6 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -61.4 | 113.8 | -178.3 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | R140 A144 | R140-S142 PolarHBondContact O-N 3.2Å; S142-A144 PolarHBondContact O-N 3.31Å | ||
| 143 | R | 38.4 | Very low | 45.1 | Very low | 247 Ų | 247 | 152.2 Ų | 152.2 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | -67 | 93.5 | 178.3 | -167.5 | 179.8 | -167.1 | 171.1 | 4.2 | 110.7 | P141 | P141-R143 PolarHBondContact O-N 2.87Å; P141-R143 VanDerWaalsContact O-N 3.17Å | ||
| 144 | A | 41 | Very low | 46.2 | Very low | 79 Ų | 79 | 146.4 Ų | 146.4 | 65% | 0.653 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 134.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S142 M146 | S142-A144 PolarHBondContact O-N 3.31Å; A144-M146 PolarHBondContact O-N 2.8Å |
| 145 | P | 46.2 | Very low | 47.2 | Very low | 129 Ų | 129 | 147 Ų | 147 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 126.9 | 173.2 | 29.4 | -32.9 | 0 | 0 | 0 | 110.8 | ||
| 146 | M | 49.3 | Very low | 48.4 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 144.9 | -175.3 | -65.6 | -72.6 | -83.2 | 0 | 0 | 112.6 | A144 M148 | A144-M146 PolarHBondContact O-N 2.8Å; M146-M148 PolarHBondContact O-N 3.23Å |
| 147 | P | 52.3 | Low | 48.6 | Very low | 120 Ų | 120 | 153.5 Ų | 153.5 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.7 | 178.6 | 28.3 | -34.5 | 0 | 0 | 0 | 111.4 | K149 | P147-K149 PolarHBondContact O-N 2.61Š|
| 148 | M | 53.5 | Low | 49.2 | Very low | 189 Ų | 189 | 157 Ų | 157 | 93% | 0.931 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 127.1 | 178.8 | -67.2 | -166.1 | 170.4 | 0 | 0 | 111.5 | M146 R150 | M146-M148 PolarHBondContact O-N 3.23Å; M148-R150 PolarHBondContact O-N 2.8Å |
| 149 | K | 44.8 | Very low | 49.4 | Very low | 212 Ų | 212 | 154.9 Ų | 154.9 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | trans | -61.5 | 107.2 | 175.3 | -76.4 | -175.6 | 175.9 | 179.2 | 0 | 110.3 | P147 G151 | P147-K149 PolarHBondContact O-N 2.61Å; K149-G151 PolarHBondContact O-N 2.63Å | ||
| 150 | R | 46.2 | Very low | 49.8 | Very low | 250 Ų | 250 | 150.5 Ų | 150.5 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 120.7 | 169.8 | -155.9 | 174.9 | -166.7 | 170.2 | 3.2 | 108.3 | M148 | M148-R150 PolarHBondContact O-N 2.8Š|
| 151 | G | 52.8 | Low | 50.9 | Low | 58 Ų | 58 | 146.2 Ų | 146.2 | 60% | 0.598 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 161.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K149 | K149-G151 PolarHBondContact O-N 2.63Š|
| 152 | P | 65.2 | Low | 51.8 | Low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 149.9 | -179.9 | 27 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 153 | P | 64.4 | Low | 52.4 | Low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 150.4 | 178.6 | 29.3 | -35.2 | 0 | 0 | 0 | 111.6 | ||
| 154 | P | 60.7 | Low | 52.6 | Low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 147.4 | 175.7 | 28.8 | -35 | 0 | 0 | 0 | 111.3 | ||
| 155 | P | 62.7 | Low | 52.5 | Low | 113 Ų | 113 | 152 Ų | 152 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66 | 150.6 | -179.1 | 27.8 | -35.2 | 0 | 0 | 0 | 112 | R157 | P155-R157 PolarHBondContact O-N 2.64Š|
| 156 | P | 58.2 | Low | 52.2 | Low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.5 | 176.9 | 26.7 | -34.2 | 0 | 0 | 0 | 110.8 | R158 | P156-R158 PolarHBondContact O-N 2.7Š|
| 157 | R | 46.7 | Very low | 51.9 | Low | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61 | 134.8 | 174 | -69.7 | 179.8 | 173.9 | -121 | -1.6 | 109.3 | P155 A159 | P155-R157 PolarHBondContact O-N 2.64Å; R157-A159 PolarHBondContact O-N 3.12Å |
| 158 | R | 43.8 | Very low | 51.7 | Low | 250 Ų | 250 | 146.9 Ų | 146.9 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 127.9 | 177.1 | -75.5 | -178.3 | 169.4 | -138.6 | -0.4 | 110.4 | P156 G160 | P156-R158 PolarHBondContact O-N 2.7Å; R158-G160 PolarHBondContact O-N 3.36Å |
| 159 | A | 45.5 | Very low | 51.1 | Low | 100 Ų | 100 | 143.7 Ų | 143.7 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | R157 | R157-A159 PolarHBondContact O-N 3.12Š|
| 160 | G | 49.9 | Very low | 50.7 | Low | 60 Ų | 60 | 136.8 Ų | 136.8 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 161.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R158 | R158-G160 PolarHBondContact O-N 3.36Š|
| 161 | P | 63.4 | Low | 50.7 | Low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.8 | 177.1 | 27.4 | -34.7 | 0 | 0 | 0 | 111.2 | ||
| 162 | P | 61.4 | Low | 49.9 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 149.4 | -178.4 | 28.8 | -35.2 | 0 | 0 | 0 | 112 | ||
| 163 | P | 53.6 | Low | 48.5 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 141.4 | 175 | 27.6 | -34.3 | 0 | 0 | 0 | 111.1 | R165 | P163-R165 PolarHBondContact O-N 2.82Š|
| 164 | K | 44.1 | Very low | 47.3 | Very low | 211 Ų | 211 | 139.5 Ų | 139.5 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 124.3 | -177.9 | -64.1 | -178.2 | -179.2 | 180 | 0 | 110.6 | A166 | K164-A166 PolarHBondContact O-N 3.44Š|
| 165 | R | 38.7 | Very low | 46.2 | Very low | 242 Ų | 242 | 139.6 Ų | 139.6 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 121 | 175.1 | -164.8 | 177.9 | -166.4 | -126.4 | 6 | 109.3 | P163 | P163-R165 PolarHBondContact O-N 2.82Š|
| 166 | A | 39.7 | Very low | 44.7 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K164 | K164-A166 PolarHBondContact O-N 3.44Š|
| 167 | A | 42.8 | Very low | 43.5 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 144.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 168 | P | 46.9 | Very low | 42.8 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.3 | 170.2 | 30.6 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 169 | S | 41.3 | Very low | 42.5 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 132.6 | 176.2 | 38.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 170 | G | 36.8 | Very low | 42.1 | Very low | 67 Ų | 67 | 129.4 Ų | 129.4 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 153.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 171 | P | 46.6 | Very low | 41.3 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 130.3 | 177.6 | 29.9 | -34 | 0 | 0 | 0 | 111.2 | ||
| 172 | A | 35.5 | Very low | 40 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68 | 132.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 173 | R | 36.3 | Very low | 38.5 | Very low | 248 Ų | 248 | 135.1 Ų | 135.1 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | trans | -103.7 | 111.4 | 167.3 | -73.3 | -178.4 | 166.2 | -145.3 | -3.1 | 108.8 | ||||
| 174 | S | 39.2 | Very low | 37.7 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | trans | -81.7 | 113.3 | 165.4 | 39.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 175 | S | 36.5 | Very low | 37.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | -69.6 | 140.2 | 166.7 | 39.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 176 | G | 31.9 | Very low | 37.3 | Very low | 84 Ų | 84 | 128 Ų | 128 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | trans | -87.1 | 167.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 177 | G | 33.4 | Very low | 37.1 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | trans | 149 | 117 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 178 | G | 31.9 | Very low | 36.5 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 84% | 0.836 | S | S | * | * | cis | 178.4 | -142.7 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 179 | M | 36.3 | Very low | 35.9 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 73% | 0.734 | 84% | 0.842 | S | S | * | * | trans | 77.8 | 108.9 | 167.4 | -62 | -69.7 | 171.1 | 0 | 0 | 118.9 | ||||
| 180 | R | 38.4 | Very low | 35.6 | Very low | 228 Ų | 228 | 142 Ų | 142 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | 60.3 | 137.8 | 149.6 | 10.4 | -175.6 | 177.3 | -100.4 | -4 | 118.2 | ||||
| 181 | G | 33 | Very low | 35.4 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 84% | 0.842 | S | S | * | * | cis | 162.9 | 173.5 | -3.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 182 | R | 36.7 | Very low | 34.8 | Very low | 260 Ų | 260 | 146.9 Ų | 146.9 | 98% | 0.981 | 85% | 0.845 | S | S | * | * | trans | 75.2 | 164 | -173.5 | -56.6 | -173.4 | 173.6 | -139.4 | -3.2 | 115 | ||||
| 183 | A | 29.3 | Very low | 35.1 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 75% | 0.752 | 84% | 0.843 | S | S | * | * | trans | -150.4 | 169.6 | -157.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 184 | L | 35.5 | Very low | 35.2 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 93% | 0.927 | 83% | 0.832 | S | S | * | * | trans | 51 | 107.7 | 159.3 | -65.2 | 172.4 | 0 | 0 | 0 | 118.9 | ||||
| 185 | A | 34.7 | Very low | 36.1 | Very low | 104 Ų | 104 | 139 Ų | 139 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -152.3 | 127.2 | 140.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 186 | V | 39.7 | Very low | 36.8 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -93.5 | 122 | 166.9 | 169.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 187 | R | 35.5 | Very low | 37.1 | Very low | 246 Ų | 246 | 146.9 Ų | 146.9 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | trans | -156.9 | 122.5 | 155.7 | -131.6 | 178.2 | -162.9 | -139.9 | 2.6 | 110.2 | ||||
| 188 | G | 31.7 | Very low | 37.4 | Very low | 73 Ų | 73 | 154.6 Ų | 154.6 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | trans | -86.3 | 152.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 189 | R | 34.1 | Very low | 37.9 | Very low | 244 Ų | 244 | 159.8 Ų | 159.8 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -160.1 | 155.1 | 145.9 | -120 | 178.1 | -177 | -124.3 | -2.2 | 111.2 | ||||
| 190 | D | 34.6 | Very low | 38.9 | Very low | 162 Ų | 162 | 158.4 Ų | 158.4 | 87% | 0.866 | 84% | 0.841 | S | S | * | * | trans | -87.7 | 158.7 | -165.2 | -39 | -99.5 | 0 | 0 | 0 | 112.5 | ||||
| 191 | G | 32 | Very low | 40 | Very low | 66 Ų | 66 | 153.2 Ų | 153.2 | 68% | 0.68 | 84% | 0.836 | S | S | * | * | trans | 164.5 | 114.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 192 | Y | 34.8 | Very low | 41.1 | Very low | 233 Ų | 233 | 155.5 Ų | 155.5 | 91% | 0.914 | 84% | 0.839 | S | S | * | * | trans | 58 | 82.6 | 151.8 | -69.4 | -83.5 | 0 | 0 | 0 | 120.1 | ||||
| 193 | S | 40.6 | Very low | 41.7 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 134 | 142 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 194 | G | 38.6 | Very low | 42.2 | Very low | 69 Ų | 69 | 156 Ų | 156 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 154.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 195 | P | 58.3 | Low | 42.2 | Very low | 125 Ų | 125 | 159.4 Ų | 159.4 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -81 | 146.1 | -173.8 | 32.1 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 196 | P | 50.9 | Low | 42.3 | Very low | 125 Ų | 125 | 161.6 Ų | 161.6 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 162.6 | 171.7 | 32 | -35 | 0 | 0 | 0 | 112.7 | ||
| 197 | R | 38.9 | Very low | 42.7 | Very low | 246 Ų | 246 | 159.3 Ų | 159.3 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142 | 180 | -70.6 | 177.1 | 168.4 | -126.8 | -1.5 | 112.1 | ||
| 198 | R | 39.6 | Very low | 42.6 | Very low | 247 Ų | 247 | 158.1 Ų | 158.1 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 138.4 | 166.7 | -82.3 | 178.6 | 166.3 | 163.9 | -5.1 | 111.2 | ||
| 199 | E | 42 | Very low | 42.9 | Very low | 181 Ų | 181 | 163 Ų | 163 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 154.8 | 159.2 | -65.7 | -174.6 | 122.9 | 0 | 0 | 110.7 | ||
| 200 | P | 57 | Low | 42.9 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 143 | 175.1 | 32.6 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 201 | P | 61.6 | Low | 43.7 | Very low | 119 Ų | 119 | 153 Ų | 153 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 155.5 | 178.3 | 32.8 | -35.6 | 0 | 0 | 0 | 112.9 | ||
| 202 | P | 56.1 | Low | 43.8 | Very low | 114 Ų | 114 | 161.1 Ų | 161.1 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 155.7 | 175.5 | 31.3 | -35.8 | 0 | 0 | 0 | 112.6 | ||
| 203 | P | 49.2 | Very low | 43.7 | Very low | 130 Ų | 130 | 157.3 Ų | 157.3 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 140.6 | 177.8 | 28.6 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 204 | R | 40.3 | Very low | 43.5 | Very low | 233 Ų | 233 | 160.7 Ų | 160.7 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 145.6 | 177.7 | -65.8 | -176.6 | 176 | -165.7 | -1.7 | 111.4 | ||
| 205 | R | 36.4 | Very low | 43.2 | Very low | 247 Ų | 247 | 160.6 Ų | 160.6 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 140.9 | 158.9 | -74.9 | 176.6 | 162.2 | -174.2 | -6.5 | 108.3 | ||
| 206 | D | 36.9 | Very low | 42.2 | Very low | 150 Ų | 150 | 166.2 Ų | 166.2 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -124.7 | 137.6 | 170.6 | -114.5 | -60.6 | 0 | 0 | 0 | 110.3 | ||||
| 207 | P | 47.6 | Very low | 41.3 | Very low | 101 Ų | 101 | 165.1 Ų | 165.1 | 66% | 0.656 | 83% | 0.827 | S | S | * | * | trans | -113 | 130.3 | -172.7 | 37.5 | -28.4 | 0 | 0 | 0 | 116.3 | ||||
| 208 | Y | 34.2 | Very low | 41 | Very low | 221 Ų | 221 | 159.3 Ų | 159.3 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | 74.2 | 158.9 | 148.7 | -87.3 | -86.6 | 0 | 0 | 0 | 122.6 | ||||
| 209 | L | 38.1 | Very low | 40.7 | Very low | 175 Ų | 175 | 157.5 Ų | 157.5 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | 80.8 | 136.3 | -179.7 | -50 | 177 | 0 | 0 | 0 | 114.6 | ||||
| 210 | G | 33.2 | Very low | 40.3 | Very low | 68 Ų | 68 | 156.4 Ų | 156.4 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | -163.1 | -176.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 211 | P | 50.9 | Low | 39.2 | Very low | 127 Ų | 127 | 155.6 Ų | 155.6 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -97.9 | 158.4 | -158.1 | 37 | -36.7 | 0 | 0 | 0 | 116.2 | ||||
| 212 | R | 33.9 | Very low | 38.1 | Very low | 238 Ų | 238 | 160.9 Ų | 160.9 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -141.1 | 142.3 | 143.5 | -76 | -158.5 | 175.4 | -152.5 | -2.1 | 110.7 | ||||
| 213 | D | 34.3 | Very low | 37 | Very low | 152 Ų | 152 | 160.4 Ų | 160.4 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -84.2 | -166 | 167.7 | -115.4 | -78.2 | 0 | 0 | 0 | 110 | ||||
| 214 | E | 35.3 | Very low | 36.1 | Very low | 186 Ų | 186 | 158.6 Ų | 158.6 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | 76.1 | 115.2 | 177.4 | -53.4 | 156.4 | -167 | 0 | 0 | 113.9 | ||||
| 215 | G | 32.1 | Very low | 35.8 | Very low | 68 Ų | 68 | 157.4 Ų | 157.4 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | cis | 134.1 | 94.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 216 | Y | 36.9 | Very low | 35.6 | Very low | 242 Ų | 242 | 151 Ų | 151 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | -147.9 | 134.4 | 163.2 | -114.5 | -81.7 | 0 | 0 | 0 | 110.7 | ||||
| 217 | S | 32.1 | Very low | 35.4 | Very low | 103 Ų | 103 | 153 Ų | 153 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -103.1 | 135.8 | 177.7 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 218 | S | 33.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 158.4 Ų | 158.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -104.4 | 122.7 | 152.5 | -66.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 219 | R | 33.4 | Very low | 34.8 | Very low | 210 Ų | 210 | 155.2 Ų | 155.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -60 | 157.8 | 153.1 | -74.4 | -179.4 | 173.7 | 178.3 | -2 | 107.9 | ||||
| 220 | D | 33 | Very low | 35.1 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | cis | -132.6 | 152.6 | 45.3 | -70.3 | -61.7 | 0 | 0 | 0 | 117.5 | ||||
| 221 | S | 35 | Very low | 35.5 | Very low | 103 Ų | 103 | 160.1 Ų | 160.1 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -93.1 | 142.2 | 167.2 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 222 | Y | 37.3 | Very low | 34.6 | Very low | 230 Ų | 230 | 157.5 Ų | 157.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -166.4 | 138.4 | 130.6 | -115.5 | -75.6 | 0 | 0 | 0 | 111.5 | ||||
| 223 | S | 33.7 | Very low | 34.5 | Very low | 104 Ų | 104 | 156 Ų | 156 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 49.4 | 119.9 | 167.5 | -100.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 224 | S | 31.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | 53.1 | 129.5 | 30.8 | -60.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 225 | R | 34 | Very low | 35.1 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | cis | -164.2 | 167.5 | 1.3 | -115.1 | 174.9 | -165.6 | 179.4 | 2.9 | 109.5 | ||||
| 226 | D | 31.2 | Very low | 35.2 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | trans | 27.6 | 135.4 | 146.1 | -42.3 | -39.7 | 0 | 0 | 0 | 119.7 | ||||
| 227 | Y | 32.1 | Very low | 36.1 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | -170.7 | 149.9 | 72.8 | -108.8 | -86.1 | 0 | 0 | 0 | 115.8 | |||||
| 228 | R | 32.1 | Very low | 36.3 | Very low | 215 Ų | 215 | 151.1 Ų | 151.1 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 9 | 139.2 | 154.3 | -69.4 | 179.2 | -178 | 179.5 | -0.3 | 123.7 | ||||
| 229 | E | 38.3 | Very low | 36.1 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -59.2 | 143.1 | 147.1 | -177.5 | -158 | 155.9 | 0 | 0 | 113.4 | ||||
| 230 | P | 43.8 | Very low | 36 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -132.9 | 167.6 | 139.2 | 38 | -27.2 | 0 | 0 | 0 | 113.7 | ||||
| 231 | R | 42.5 | Very low | 36 | Very low | 224 Ų | 224 | 150.8 Ų | 150.8 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -95.9 | 138.3 | -165.9 | -57.1 | 176 | -175.7 | -172.1 | 1.4 | 114.6 | ||||
| 232 | G | 32.1 | Very low | 35.7 | Very low | 72 Ų | 72 | 153.1 Ų | 153.1 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | 78 | 117.4 | 128.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 233 | F | 31.8 | Very low | 35.5 | Very low | 208 Ų | 208 | 153.6 Ų | 153.6 | 91% | 0.912 | 77% | 0.765 | S | S | * | * | trans | -149.8 | 154.4 | 148.7 | -141.1 | -96 | 0 | 0 | 0 | 109.9 | ||||
| 234 | A | 42.2 | Very low | 35.3 | Very low | 86 Ų | 86 | 156.4 Ų | 156.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -131.4 | 135.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 235 | P | 38.6 | Very low | 35.4 | Very low | 127 Ų | 127 | 163.6 Ų | 163.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -120.1 | 151.7 | 168.1 | 37.5 | -27 | 0 | 0 | 0 | 113.5 | ||||
| 236 | S | 34.8 | Very low | 35.2 | Very low | 114 Ų | 114 | 156.3 Ų | 156.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -156.2 | 166.4 | 165.1 | 67.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 237 | P | 54.9 | Low | 35.2 | Very low | 113 Ų | 113 | 159.7 Ų | 159.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -119.9 | -148.4 | -19.5 | 39.2 | -22.9 | 0 | 0 | 0 | 110.8 | ||||
| 238 | R | 36.6 | Very low | 35.2 | Very low | 207 Ų | 207 | 154.9 Ų | 154.9 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 88.4 | 113.4 | 177.5 | -54.6 | -168.1 | 166.5 | 148.1 | -1.1 | 114.5 | ||||
| 239 | E | 29.3 | Very low | 35.4 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | 68.9 | 110.4 | 73.9 | -63.7 | 168.2 | 132.6 | 0 | 0 | 110.9 | |||||
| 240 | Y | 31 | Very low | 35.1 | Very low | 206 Ų | 206 | 148.3 Ų | 148.3 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | -158.6 | 155.2 | 68 | -126.1 | -106.7 | 0 | 0 | 0 | 113.9 | |||||
| 241 | T | 33.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | 33.5 | 136.9 | 155.7 | 51.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 242 | H | 28.9 | Very low | 34.4 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 70% | 0.704 | 78% | 0.776 | S | S | * | * | -177.6 | 117 | 63.5 | -174.4 | -48.6 | 0 | 0 | 0 | 113.4 | E244 | H242-E244 IonicContact CE1-OE2 2.77Š| |||
| 243 | R | 34.3 | Very low | 34.5 | Very low | 241 Ų | 241 | 153.9 Ų | 153.9 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 178.7 | 149.6 | 138.1 | -104.9 | 174 | -178 | 163.7 | 3.5 | 111.3 | ||||
| 244 | E | 28.6 | Very low | 34.7 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | -115 | 165 | -162.9 | -68.1 | 151.3 | 103.5 | 0 | 0 | 114.1 | H242 | H242-E244 IonicContact CE1-OE2 2.77Š| ||
| 245 | Y | 32.8 | Very low | 34.6 | Very low | 244 Ų | 244 | 150.4 Ų | 150.4 | 96% | 0.957 | 77% | 0.774 | S | S | * | * | trans | -8 | 144.3 | 158.1 | -77.4 | -95.1 | 0 | 0 | 0 | 120.4 | ||||
| 246 | G | 29.2 | Very low | 34.5 | Very low | 56 Ų | 56 | 152.5 Ų | 152.5 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | trans | 166 | 111.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 247 | H | 32.5 | Very low | 34.5 | Very low | 181 Ų | 181 | 158.4 Ų | 158.4 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 59.2 | 126.1 | 153 | -50.7 | -69.2 | 0 | 0 | 0 | 119.1 | ||||
| 248 | S | 31.7 | Very low | 33.4 | Very low | 91 Ų | 91 | 156.5 Ų | 156.5 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | 77.9 | 93.6 | 41.3 | 84.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 249 | S | 35.6 | Very low | 33.5 | Very low | 109 Ų | 109 | 157.7 Ų | 157.7 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 37.2 | 125.9 | 144.9 | 60.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 250 | V | 32.1 | Very low | 33.6 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 174 | 152.5 | 130.1 | 140.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 251 | R | 34.5 | Very low | 34 | Very low | 226 Ų | 226 | 150 Ų | 150 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 82.4 | 113.6 | 177.7 | -59.2 | -58.5 | 158.2 | 159.4 | -5.2 | 119.1 | ||||
| 252 | D | 38.7 | Very low | 34.1 | Very low | 146 Ų | 146 | 154.9 Ų | 154.9 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -58.8 | 153.1 | 144.6 | -36.6 | -114.1 | 0 | 0 | 0 | 111.5 | ||||
| 253 | D | 33.7 | Very low | 34.4 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -146.5 | 146.9 | 153.6 | -139.8 | -43.8 | 0 | 0 | 0 | 111.1 | ||||
| 254 | C | 35.1 | Very low | 34.6 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | -126.4 | 134.9 | -167 | -71.8 | 0 | 0 | 0 | 0 | 112 | L256 | C254-L256 PolarHBondContact O-N 3.12Š| ||
| 255 | P | 40.4 | Very low | 35 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -69.2 | 123.8 | 168.3 | 29.2 | -32.5 | 0 | 0 | 0 | 110.2 | R257 | P255-R257 PolarHBondContact O-N 3.47Š| ||
| 256 | L | 35.5 | Very low | 35.3 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 132.7 | -176 | -78.4 | 70.8 | 0 | 0 | 0 | 112.3 | C254 | C254-L256 PolarHBondContact O-N 3.12Š| ||
| 257 | R | 35.6 | Very low | 35.4 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -109.1 | 111.3 | 153.6 | 173.6 | 177 | -94.2 | -113.7 | -0.3 | 107.6 | P255 | P255-R257 PolarHBondContact O-N 3.47Š| ||
| 258 | G | 31.4 | Very low | 35.7 | Very low | 73 Ų | 73 | 147.5 Ų | 147.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -64.6 | 151.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 259 | Y | 39.4 | Very low | 35.8 | Very low | 232 Ų | 232 | 148.9 Ų | 148.9 | 91% | 0.91 | 80% | 0.799 | S | S | * | * | trans | -86 | 150.3 | 172.7 | -92 | -99.6 | 0 | 0 | 0 | 111.8 | ||||
| 260 | G | 32.2 | Very low | 36.1 | Very low | 79 Ų | 79 | 152.6 Ų | 152.6 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -165.6 | 117.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 261 | D | 37.5 | Very low | 36.2 | Very low | 126 Ų | 126 | 154.9 Ų | 154.9 | 67% | 0.674 | 80% | 0.804 | S | S | * | * | trans | -128.4 | 140 | -170.6 | -160.6 | -66.8 | 0 | 0 | 0 | 109 | ||||
| 262 | R | 36.6 | Very low | 36.4 | Very low | 220 Ų | 220 | 154 Ų | 154 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 68.1 | 151.5 | -173.3 | -44.2 | -168.3 | -177.9 | -179.5 | -0.8 | 113.3 | ||||
| 263 | D | 34.3 | Very low | 36.4 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | cis | -117.9 | 172.6 | 20.8 | -76.2 | -57.7 | 0 | 0 | 0 | 115.6 | ||||
| 264 | G | 39.8 | Very low | 36.3 | Very low | 66 Ų | 66 | 148.7 Ų | 148.7 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -141.4 | 106.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 265 | Y | 36.7 | Very low | 36.8 | Very low | 228 Ų | 228 | 153 Ų | 153 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -135.9 | 145.9 | 162.7 | -67.7 | -77.6 | 0 | 0 | 0 | 108.7 | ||||
| 266 | G | 39.4 | Very low | 37 | Very low | 77 Ų | 77 | 152 Ų | 152 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -110.2 | 138.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 267 | C | 31.1 | Very low | 37.3 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -127.9 | 128 | 147.7 | -75.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 268 | R | 39.2 | Very low | 37.4 | Very low | 239 Ų | 239 | 150.3 Ų | 150.3 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | 44.3 | 90.4 | 62.8 | -73.6 | -161.7 | 178.6 | -152.1 | 2.5 | 112.5 | |||||
| 269 | D | 32.4 | Very low | 37.4 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | -156.5 | 133.2 | 111.2 | -118.5 | -25.3 | 0 | 0 | 0 | 116.2 | |||||
| 270 | R | 43.4 | Very low | 37.4 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | 27.3 | 95.3 | 151.6 | -74.6 | 168.7 | -87.5 | -174.9 | -1.8 | 120.6 | ||||
| 271 | D | 32.6 | Very low | 37.3 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 119.2 | 138.4 | -77.6 | -63.1 | 0 | 0 | 0 | 109.5 | G273 | D271-G273 PolarHBondContact O-N 3.47Š| ||
| 272 | Y | 39.6 | Very low | 37 | Very low | 206 Ų | 206 | 156.4 Ų | 156.4 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | -91.7 | 99.5 | 177.7 | -128 | -85.8 | 0 | 0 | 0 | 109.7 | ||||
| 273 | G | 38.5 | Very low | 37.2 | Very low | 69 Ų | 69 | 153.2 Ų | 153.2 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -128.2 | 78.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | D271 H275 | D271-G273 PolarHBondContact O-N 3.47Å; G273-H275 PolarHBondContact O-N 3.33Å | ||
| 274 | D | 32.6 | Very low | 37.8 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | trans | -70.3 | 121.2 | -171.4 | -164.6 | -89.9 | 0 | 0 | 0 | 112.9 | P276 | D274-P276 WeakPolarHBondContact OD1-CD 2.89Š| ||
| 275 | H | 45.3 | Very low | 37.5 | Very low | 183 Ų | 183 | 158.1 Ų | 158.1 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -134.2 | 122.2 | 162.5 | -77.2 | -16.7 | 0 | 0 | 0 | 107.5 | G273 | G273-H275 PolarHBondContact O-N 3.33Š| ||
| 276 | P | 43.5 | Very low | 37.4 | Very low | 108 Ų | 108 | 156.1 Ų | 156.1 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | -132.6 | 133.3 | 127.5 | 35.6 | -28.3 | 0 | 0 | 0 | 112.7 | D274 | D274-P276 WeakPolarHBondContact OD1-CD 2.89Š| |||
| 277 | S | 42 | Very low | 37 | Very low | 119 Ų | 119 | 156.9 Ų | 156.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -89.2 | 149.9 | 151.3 | -74.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 278 | R | 38.6 | Very low | 37.3 | Very low | 253 Ų | 253 | 161.8 Ų | 161.8 | 96% | 0.955 | 80% | 0.8 | S | S | * | * | trans | 79.1 | 104.5 | 153.1 | -155.6 | 180 | -160.2 | -129.5 | 3.8 | 117.1 | ||||
| 279 | G | 29.9 | Very low | 37.1 | Very low | 81 Ų | 81 | 153.5 Ų | 153.5 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -142.6 | 147.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 280 | S | 40 | Very low | 37 | Very low | 103 Ų | 103 | 155 Ų | 155 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -141.3 | 137.7 | -171.9 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 281 | Y | 31.3 | Very low | 36.6 | Very low | 223 Ų | 223 | 153.1 Ų | 153.1 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | 179.5 | 167.2 | 127.9 | -118.6 | -87.8 | 0 | 0 | 0 | 113.4 | |||||
| 282 | R | 30.9 | Very low | 36.8 | Very low | 231 Ų | 231 | 156.2 Ų | 156.2 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | 73.2 | 111.4 | 161.1 | -85.5 | -175.9 | 169.9 | 168.8 | -3.2 | 120 | ||||
| 283 | E | 41.1 | Very low | 36.2 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 170.2 | 138.5 | -58.7 | -179.5 | 149.8 | 0 | 0 | 110.8 | ||||
| 284 | P | 46.8 | Very low | 35.8 | Very low | 133 Ų | 133 | 151.1 Ų | 151.1 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | -132.4 | 167 | 113.8 | 38 | -30.5 | 0 | 0 | 0 | 115.3 | |||||
| 285 | F | 32.6 | Very low | 36.1 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | -75.9 | 156.7 | -175.1 | -97.7 | -130.6 | 0 | 0 | 0 | 116 | ||||
| 286 | E | 35.1 | Very low | 36.2 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -153.5 | 134.7 | 130.5 | -101 | -177.1 | 150.7 | 0 | 0 | 107.4 | ||||
| 287 | S | 29.5 | Very low | 35.7 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 64% | 0.643 | 82% | 0.816 | S | S | * | * | 94.6 | 124.4 | 58.7 | -170.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 288 | Y | 38.1 | Very low | 35.2 | Very low | 227 Ų | 227 | 152.4 Ų | 152.4 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | cis | -160.8 | 139.8 | -4.6 | -131.7 | -49.2 | 0 | 0 | 0 | 111.4 | ||||
| 289 | G | 34.3 | Very low | 34.7 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | 77 | 162.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 290 | D | 30.5 | Very low | 35.2 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | cis | -149.7 | -175.7 | -7.5 | -148.1 | -76.2 | 0 | 0 | 0 | 111.3 | ||||
| 291 | L | 36.8 | Very low | 36.5 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -114.4 | 156.8 | -169.8 | -63.8 | 163.5 | 0 | 0 | 0 | 112.6 | ||||
| 292 | R | 35.3 | Very low | 37.4 | Very low | 239 Ų | 239 | 142.2 Ų | 142.2 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | 160.8 | 151.7 | 118.9 | -86.1 | 158.6 | -165.1 | -92.4 | 0.1 | 114.4 | |||||
| 293 | G | 28.4 | Very low | 37.6 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 95.2 | 125.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 294 | G | 28.7 | Very low | 37.2 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | cis | 164.8 | 139.7 | -8.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 295 | A | 38.5 | Very low | 36.4 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -118.4 | 135.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 296 | P | 48.9 | Very low | 36.3 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | -141.9 | 177.8 | 103 | 37.3 | -22.6 | 0 | 0 | 0 | 112.4 | |||||
| 297 | G | 31.4 | Very low | 36 | Very low | 65 Ų | 65 | 126.5 Ų | 126.5 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | cis | 152 | 153.3 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 298 | R | 32.1 | Very low | 36 | Very low | 264 Ų | 264 | 125.4 Ų | 125.4 | 100% | 0.996 | 81% | 0.809 | S | S | * | * | trans | 72 | 144.2 | 174.9 | -50.8 | 178.5 | 175.1 | -142.4 | -1.5 | 117.8 | ||||
| 299 | G | 28.1 | Very low | 35.8 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 144.2 | 116.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 300 | T | 41.4 | Very low | 35.5 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | -169.2 | 150 | 159.7 | -21.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 301 | P | 66.9 | Low | 35.7 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | cis | -106.8 | -134.8 | -4.2 | 31.7 | -8.3 | 0 | 0 | 0 | 108.8 | ||||
| 302 | P | 49.2 | Very low | 35.4 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | cis | -139.7 | 175.2 | -8.2 | 43.7 | -24 | 0 | 0 | 0 | 119.1 | ||||
| 303 | S | 35 | Very low | 35.3 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | trans | -2.2 | 136.1 | 150.8 | -160.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 304 | Y | 33.6 | Very low | 35.4 | Very low | 224 Ų | 224 | 141.3 Ų | 141.3 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | -175.7 | 156 | 92.9 | -121.7 | -83.1 | 0 | 0 | 0 | 115.4 | |||||
| 305 | G | 30.7 | Very low | 35.6 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 109.4 | 127.6 | 156 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 306 | G | 30.1 | Very low | 35.2 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | cis | 151.2 | 104.3 | -14.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 307 | G | 28.4 | Very low | 34.8 | Very low | 85 Ų | 85 | 141 Ų | 141 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | 106.3 | 143.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 308 | G | 30.4 | Very low | 35.6 | Very low | 68 Ų | 68 | 142.9 Ų | 142.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | 166.4 | 161.6 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 309 | R | 32.1 | Very low | 35.7 | Very low | 252 Ų | 252 | 136.9 Ų | 136.9 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | 70.9 | 146.4 | -179.3 | -43.9 | -179.9 | -164.6 | -172.3 | 4.2 | 113.3 | ||||
| 310 | Y | 29.3 | Very low | 36 | Very low | 221 Ų | 221 | 138.6 Ų | 138.6 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | cis | -137 | 162.4 | 13.3 | 48.6 | -90.4 | 0 | 0 | 0 | 111.8 | ||||
| 311 | E | 34.1 | Very low | 35.7 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -105.7 | 173.1 | 176.5 | -72 | 174.8 | 88.2 | 0 | 0 | 112.2 | ||||
| 312 | E | 31 | Very low | 34.2 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | 110.6 | 129.8 | 130.3 | -147 | 163.9 | 171 | 0 | 0 | 120.7 | ||||
| 313 | Y | 32.3 | Very low | 33.3 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 50.2 | 124.9 | 160 | -83.8 | -140.5 | 0 | 0 | 0 | 119.6 | ||||
| 314 | R | 31.8 | Very low | 33 | Very low | 240 Ų | 240 | 139.8 Ų | 139.8 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | -148.1 | 153.1 | 50 | -74.6 | -178.5 | 174 | -159.1 | -2.4 | 113.2 | |||||
| 315 | G | 32.7 | Very low | 33.1 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | -98.4 | 155 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 316 | C | 29.5 | Very low | 33.2 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | 168.8 | 118.2 | 148.2 | -98.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 317 | S | 41.7 | Very low | 33.3 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -69.7 | 163.4 | 141.2 | -67.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 318 | P | 46.9 | Very low | 33.4 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | cis | -149.8 | -168.3 | 35 | 45.9 | -25.1 | 0 | 0 | 0 | 117.6 | ||||
| 319 | D | 33.6 | Very low | 33.4 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | 56.1 | 118.1 | 150.5 | -61.2 | -42.1 | 0 | 0 | 0 | 122.6 | ||||
| 320 | A | 35.4 | Very low | 33.3 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -146.8 | 94.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 321 | Y | 35.2 | Very low | 33.5 | Very low | 214 Ų | 214 | 137.7 Ų | 137.7 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -96 | 116.7 | -177.9 | -128.8 | -82.6 | 0 | 0 | 0 | 110.8 | ||||
| 322 | S | 34.8 | Very low | 33.5 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -179.3 | 120.4 | 158.6 | -82.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 323 | G | 30.5 | Very low | 33.4 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | 161.2 | 134.4 | -12.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 324 | G | 29.6 | Very low | 33.3 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 70.9 | 148 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 325 | R | 34.8 | Very low | 33.4 | Very low | 221 Ų | 221 | 130.1 Ų | 130.1 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | cis | -151.5 | 139.6 | -4.4 | -96.7 | -171.7 | -174.8 | -172.9 | 3.1 | 110.5 | ||||
| 326 | D | 32.1 | Very low | 33.4 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 59.2 | 154.1 | 135.8 | -45 | -25.5 | 0 | 0 | 0 | 121 | ||||
| 327 | S | 33.7 | Very low | 33.6 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -136.1 | 161.4 | -169.4 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 328 | Y | 30.8 | Very low | 33.1 | Very low | 219 Ų | 219 | 143.1 Ų | 143.1 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | 79.8 | 152.6 | 146.7 | -130.3 | -107.1 | 0 | 0 | 0 | 119.2 | ||||
| 329 | S | 29.1 | Very low | 32.5 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 64.7 | 156.5 | 167.9 | -71.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 330 | S | 29.6 | Very low | 32.5 | Very low | 83 Ų | 83 | 147.8 Ų | 147.8 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | cis | -171.7 | 139.9 | -28.4 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 331 | S | 34.4 | Very low | 32.2 | Very low | 84 Ų | 84 | 146 Ų | 146 | 59% | 0.587 | 78% | 0.775 | S | S | * | * | trans | 58.7 | 175.1 | 166.5 | 38.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 332 | Y | 33.8 | Very low | 32.1 | Very low | 214 Ų | 214 | 146.5 Ų | 146.5 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | cis | -138.8 | 157.8 | 12.4 | -53.3 | -102 | 0 | 0 | 0 | 109.1 | ||||
| 333 | G | 29.4 | Very low | 32.2 | Very low | 75 Ų | 75 | 145.9 Ų | 145.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -96.8 | 155 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 334 | R | 30.5 | Very low | 32.5 | Very low | 243 Ų | 243 | 154.6 Ų | 154.6 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -178.4 | 158.8 | 159.7 | -83.3 | -128.6 | -174.2 | -139.8 | 1.9 | 108.7 | ||||
| 335 | S | 32.6 | Very low | 33 | Very low | 84 Ų | 84 | 158.3 Ų | 158.3 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | cis | -168 | 148.1 | -35.1 | 48.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 336 | D | 34.2 | Very low | 32.8 | Very low | 134 Ų | 134 | 151 Ų | 151 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | 5.6 | 136.3 | 164.5 | -55 | -100.2 | 0 | 0 | 0 | 122.5 | ||||
| 337 | R | 33.8 | Very low | 33 | Very low | 248 Ų | 248 | 156 Ų | 156 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | -153.3 | 140.8 | 129.4 | -141.4 | 174.9 | -67.9 | -160.5 | 2.6 | 113.6 | |||||
| 338 | Y | 30.8 | Very low | 34.2 | Very low | 204 Ų | 204 | 155.7 Ų | 155.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -104.6 | 165.9 | -177.7 | -93 | -100.5 | 0 | 0 | 0 | 113.3 | ||||
| 339 | S | 34.4 | Very low | 34.2 | Very low | 93 Ų | 93 | 151.4 Ų | 151.4 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | 100.5 | 121.9 | 145.2 | -63.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 340 | R | 32.4 | Very low | 34.7 | Very low | 247 Ų | 247 | 157.3 Ų | 157.3 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | trans | 56 | 143.7 | 131.5 | -53.9 | 173.2 | -173.3 | -166.9 | 1 | 119.5 | ||||
| 341 | G | 29.8 | Very low | 34.8 | Very low | 73 Ų | 73 | 156.8 Ų | 156.8 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | 152.4 | 163.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 342 | R | 32.6 | Very low | 35.1 | Very low | 223 Ų | 223 | 161 Ų | 161 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | 71 | 124.1 | 166.5 | -72.5 | -166.2 | 172.7 | -91.2 | 8.1 | 122 | ||||
| 343 | D | 36.4 | Very low | 34.9 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | 48.2 | 127.5 | 124.8 | -39.6 | -34.5 | 0 | 0 | 0 | 123.2 | |||||
| 344 | R | 37 | Very low | 35.2 | Very low | 254 Ų | 254 | 160.6 Ų | 160.6 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -166.2 | 154.4 | 136.1 | -107.5 | 165.6 | -155 | -144.2 | 3.5 | 112.7 | ||||
| 345 | V | 40.7 | Very low | 35.4 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | trans | -146 | 137.2 | -177.3 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 346 | G | 30.8 | Very low | 35.7 | Very low | 69 Ų | 69 | 157.9 Ų | 157.9 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 141.6 | 108.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 347 | R | 36.9 | Very low | 35.8 | Very low | 242 Ų | 242 | 158 Ų | 158 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | 25.6 | 168 | 120.5 | -76.7 | -172.1 | 174.4 | -139.3 | -0.6 | 121.7 | |||||
| 348 | P | 57.8 | Low | 35.7 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | cis | -143.7 | 175.7 | -35.7 | 41.2 | -24.5 | 0 | 0 | 0 | 114.9 | ||||
| 349 | D | 31.2 | Very low | 35.7 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | trans | -177.4 | 132.2 | 134.2 | -119.3 | -147.2 | 0 | 0 | 0 | 109.5 | ||||
| 350 | R | 39 | Very low | 35.8 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | 91.7 | 129 | 78.2 | -83.8 | -168.5 | -166.6 | -173.6 | -2.9 | 116 | |||||
| 351 | G | 32.4 | Very low | 36.5 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 173.7 | 136.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 352 | L | 40.3 | Very low | 37.5 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -138.7 | 147.8 | -164 | -67.7 | 172.3 | 0 | 0 | 0 | 114 | ||||
| 353 | S | 30.7 | Very low | 37.6 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -162.3 | 158.7 | 144.1 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 354 | L | 34.5 | Very low | 37.7 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -111.7 | 157.2 | -177.9 | -62.6 | 87 | 0 | 0 | 0 | 110.7 | ||||
| 355 | S | 34.8 | Very low | 37.8 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | 157.7 | 160.5 | 105.9 | 58.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 356 | M | 38.7 | Very low | 37.7 | Very low | 170 Ų | 170 | 141 Ų | 141 | 84% | 0.837 | 77% | 0.771 | S | S | * | * | trans | 68.4 | 110.2 | 151.2 | -73.8 | 166.9 | -174.2 | 0 | 0 | 122 | ||||
| 357 | E | 36.2 | Very low | 38 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 64% | 0.64 | 77% | 0.773 | S | S | * | * | 64.5 | 138.5 | 119.5 | -88.1 | -85.9 | 70.6 | 0 | 0 | 123.5 | |||||
| 358 | R | 33 | Very low | 37.9 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | 69.7 | 149.2 | 156 | -63.9 | 162.6 | -160 | -153.7 | -1.2 | 120.7 | ||||
| 359 | G | 30.5 | Very low | 36.8 | Very low | 74 Ų | 74 | 146.9 Ų | 146.9 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 134.4 | 65.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 360 | C | 37.2 | Very low | 37 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 144 | 167.5 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 361 | P | 45.5 | Very low | 36.7 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 137.9 | 153.1 | 30.9 | -31.6 | 0 | 0 | 0 | 110 | ||
| 362 | P | 51.1 | Low | 36.8 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 165.2 | -170 | 37.6 | -36.8 | 0 | 0 | 0 | 115.5 | ||
| 363 | Q | 34.2 | Very low | 36.6 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | 42.8 | 125.4 | 154.1 | -69.8 | 174.7 | -22.3 | 0 | 0 | 119.9 | ||||
| 364 | R | 40.1 | Very low | 37.3 | Very low | 216 Ų | 216 | 145.3 Ų | 145.3 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | cis | 68.5 | 120.4 | 44.1 | -66.6 | -177.6 | 159.3 | -90.9 | 2 | 115.4 | ||||
| 365 | D | 37.8 | Very low | 38.2 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -123.2 | 174.6 | 131.3 | -125.2 | -49.6 | 0 | 0 | 0 | 110.1 | ||||
| 366 | S | 40.1 | Very low | 38.6 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 51% | 0.51 | 79% | 0.789 | S | S | . | * | trans | -104.2 | -173.9 | -168.4 | -60 | 0 | 0 | 0 | 0 | 112 | ||||
| 367 | Y | 35.7 | Very low | 38.5 | Very low | 192 Ų | 192 | 146 Ų | 146 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -155.6 | 142.9 | 39.4 | -45.3 | -85 | 0 | 0 | 0 | 114.7 | ||||
| 368 | S | 36.5 | Very low | 38.6 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 53.8 | 123.7 | 138.1 | -61.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 369 | R | 32.8 | Very low | 38.6 | Very low | 243 Ų | 243 | 137.1 Ų | 137.1 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | 70.6 | 145.9 | 152.3 | -64.9 | 178.1 | 176 | -173.5 | -1.7 | 117.2 | ||||
| 370 | S | 36.2 | Very low | 39.4 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -150.1 | 164.2 | -5.8 | 36.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 371 | G | 32.7 | Very low | 39.7 | Very low | 71 Ų | 71 | 148 Ų | 148 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -75.8 | -165.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 372 | C | 34 | Very low | 39.3 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | cis | -144.4 | 173.5 | 12.1 | -88.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 373 | R | 36.8 | Very low | 38.5 | Very low | 240 Ų | 240 | 144.2 Ų | 144.2 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -92.8 | 159.8 | -178.5 | -76.8 | -173.4 | 176.1 | -169.7 | -0.2 | 114.4 | ||||
| 374 | V | 46.3 | Very low | 38.7 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -32 | 159.2 | 158.8 | -136.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 375 | P | 52.2 | Low | 38.6 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | -137.9 | 161.7 | 107 | 38.5 | -28.8 | 0 | 0 | 0 | 115.8 | |||||
| 376 | R | 44.3 | Very low | 38.9 | Very low | 246 Ų | 246 | 145.2 Ų | 145.2 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | trans | -89 | 148.7 | 160.2 | -81.9 | 176.6 | 163.1 | 178.8 | -5.2 | 109.4 | ||||
| 377 | G | 36 | Very low | 39.1 | Very low | 80 Ų | 80 | 153.4 Ų | 153.4 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | 134.8 | 136.9 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 378 | G | 37.4 | Very low | 39.3 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 90% | 0.897 | 84% | 0.84 | S | S | * | * | trans | 92.2 | 156.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 379 | G | 33.6 | Very low | 39.7 | Very low | 82 Ų | 82 | 146.8 Ų | 146.8 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | trans | 115.4 | 89.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 380 | R | 46.3 | Very low | 40.2 | Very low | 240 Ų | 240 | 138.8 Ų | 138.8 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -91.6 | 172.2 | 151.5 | -85.8 | -168.6 | 177.6 | -144.5 | 2.8 | 109 | ||||
| 381 | L | 43.3 | Very low | 40.7 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 96% | 0.963 | 84% | 0.844 | S | S | * | * | trans | 89.5 | 143.8 | 173.5 | -51.6 | 172.3 | 0 | 0 | 0 | 114.1 | ||||
| 382 | G | 37.2 | Very low | 41.2 | Very low | 84 Ų | 84 | 146.3 Ų | 146.3 | 87% | 0.866 | 84% | 0.844 | S | S | * | * | trans | -143.9 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 383 | G | 35.7 | Very low | 41.9 | Very low | 72 Ų | 72 | 149.7 Ų | 149.7 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | 158.9 | 143.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 384 | R | 38 | Very low | 42.4 | Very low | 232 Ų | 232 | 152.3 Ų | 152.3 | 88% | 0.875 | 85% | 0.85 | S | S | * | * | trans | 64.4 | 153.5 | 179.5 | -87.3 | 178.8 | 169.6 | -178.9 | -3.6 | 115.7 | ||||
| 385 | M | 38.3 | Very low | 42.2 | Very low | 148 Ų | 148 | 153.6 Ų | 153.6 | 73% | 0.729 | 85% | 0.854 | S | S | * | * | cis | -138.2 | 168.6 | 2.3 | -156.1 | 139.6 | 160.9 | 0 | 0 | 112.2 | ||||
| 386 | E | 43.1 | Very low | 41.7 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 79% | 0.79 | 86% | 0.857 | S | S | * | * | trans | -63.8 | 156.8 | -176.5 | -53.5 | 174.1 | 79.2 | 0 | 0 | 115.4 | ||||
| 387 | R | 45.5 | Very low | 41.6 | Very low | 244 Ų | 244 | 150.2 Ų | 150.2 | 92% | 0.921 | 85% | 0.853 | S | S | * | * | -160.4 | 130.8 | 115.8 | -166.4 | 164.8 | -68.8 | -174 | -1.8 | 113.5 | |||||
| 388 | G | 39.3 | Very low | 41.9 | Very low | 75 Ų | 75 | 154.4 Ų | 154.4 | 77% | 0.773 | 86% | 0.855 | S | S | * | * | trans | 75.4 | 105.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 389 | G | 44.3 | Very low | 42.2 | Very low | 86 Ų | 86 | 158.6 Ų | 158.6 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | trans | -109.3 | 144.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 390 | G | 44.2 | Very low | 42.8 | Very low | 74 Ų | 74 | 163.7 Ų | 163.7 | 76% | 0.763 | 85% | 0.853 | S | S | * | * | trans | -168.7 | 100 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 391 | R | 46.8 | Very low | 42.5 | Very low | 243 Ų | 243 | 158.2 Ų | 158.2 | 92% | 0.917 | 85% | 0.849 | S | S | * | * | 63.6 | 92.3 | 83.3 | -76.8 | -166 | 168.1 | -142.4 | -2.1 | 114.8 | |||||
| 392 | S | 42.1 | Very low | 42.4 | Very low | 104 Ų | 104 | 156.2 Ų | 156.2 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | 65.4 | 143.7 | 117 | -170.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 393 | R | 49.8 | Very low | 42.9 | Very low | 206 Ų | 206 | 162.3 Ų | 162.3 | 78% | 0.777 | 84% | 0.838 | S | S | * | * | trans | 75.5 | 139.4 | -178.5 | -42.7 | 175 | -155.1 | -177.3 | 5.3 | 112.2 | ||||
| 394 | Y | 47.5 | Very low | 43.5 | Very low | 294 Ų | 294 | 170.5 Ų | 170.5 | 100% | 1.153 | 85% | 0.847 | S | S | * | * | cis | -110.7 | 0 | 6.1 | -78.3 | -103.4 | 0 | 0 | 0 | 112.3 |
Retrieved 394 of 394 residues in 51.1 ms
(Link to these results)