| 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 | 69.5 | Low | 86.2 | Confident | 169 Ų | 169 | 58.7 Ų | 58.7 | 83% | 0.833 | 26% | 0.256 | S | S | * | . | 0 | 129.8 | 0 | -170.9 | 171.7 | -176.1 | 0 | 0 | 108.6 | E48 L49 S50 | M1-E48 PolarHBondContact N-OE1 2.86Å; M1-L49 PolarHBondContact O-N 2.93Å; M1-S50 PolarHBondContact N-OG 3.13Å | |||
| 2 | K | 81.8 | Confident | 86.4 | Confident | 138 Ų | 138 | 54.5 Ų | 54.5 | 60% | 0.6 | 24% | 0.239 | S | C | * | . | B | Isolated β-bridge | trans | -85 | 140.3 | 178.7 | -67.4 | -173.9 | 173.7 | -167.6 | 0 | 111.2 | G46 T47 | K2-G46 WeakPolarHBondContact CD-O 3.36Å; K2-T47 CarbonylContact C-O 3.55Å; K2-T47 VanDerWaalsContact CA-O 3.31Å; K2-T47 WeakPolarHBondContact CA-O 3.2Å |
| 3 | S | 82.2 | Confident | 86 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | trans | -72.4 | 143.4 | 174.7 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | Y5 T7 G46 T47 | S3-Y5 PolarHBondContact OG-N 3.24Å; S3-Y5 PolarHBondContact OG-O 2.62Å; S3-T7 PolarHBondContact OG-OG1 3.15Å; S3-G46 WeakPolarHBondContact O-CA 3.46Å; S3-G46 PolarHBondContact O-N 3.25Å; S3-T47 PolarHBondContact N-O 3.47Å | ||
| 4 | R | 83 | Confident | 85.8 | Confident | 170 Ų | 170 | 55.5 Ų | 55.5 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -87.9 | -19.5 | 173.7 | -172.8 | 171.5 | 174.1 | 176.1 | -4.9 | 112.8 | D614 | R4-D614 IonicContact NH2-OD2 3.96Å; R4-D614 PolarHBondContact NH2-OD2 3.22Å; R4-D614 VanDerWaalsContact NH2-OD2 3.16Å |
| 5 | Y | 86.7 | Confident | 86 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 28% | 0.282 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -137.8 | -177 | -174.8 | -54.3 | -60.1 | 0 | 0 | 0 | 110.4 | S3 T7 A45 | S3-Y5 PolarHBondContact OG-N 3.24Å; S3-Y5 PolarHBondContact OG-O 2.62Å; Y5-T7 PolarHBondContact O-N 2.73Å; Y5-A45 WeakPolarHBondContact O-CA 3.48Å |
| 6 | R | 89.6 | Confident | 86.1 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | trans | -56.2 | 132.7 | 160.5 | 177.1 | 166.6 | 65.8 | -171.6 | -0.4 | 109.6 | D35 Y42 A43 D161 | R6-D35 IonicContact NH1-OD2 2.73Å; R6-D35 PolarHBondContact NH1-OD2 2.84Å; R6-Y42 HydrophobicContact CG-CD2 3.62Å; R6-Y42 HydrophobicContact CG-CE2 4.44Å; R6-Y42 HydrophobicContact CG-CG 3.95Å; R6-A43 WeakPolarHBondContact CA-O 3.31Å; R6-D161 IonicContact CZ-OD2 2.7Å; R6-D161 IonicContact NE-OD2 3.74Å; R6-D161 PolarHBondContact NE-OD2 3.47Å; R6-D161 VanDerWaalsContact NE-OD2 3.1Å; R6-D161 IonicContact NH2-OD1 2.72Å; R6-D161 IonicContact NH2-OD2 3.75Å; R6-D161 PolarHBondContact NH2-OD2 2.94Å | ||
| 7 | T | 91 | Very high | 86.1 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 10% | 0.104 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.3 | 173.5 | -58.5 | 0 | 0 | 0 | 0 | 109.8 | S3 Y5 Y42 A43 L49 L56 | S3-T7 PolarHBondContact OG-OG1 3.15Å; Y5-T7 PolarHBondContact O-N 2.73Å; T7-Y42 CarbonylContact O-C 3.51Å; T7-Y42 VanDerWaalsContact O-CA 3.29Å; T7-Y42 WeakPolarHBondContact O-CA 3.49Å; T7-A43 PolarHBondContact N-O 2.85Å; T7-A43 VanDerWaalsContact N-O 3.08Å; T7-A43 PolarHBondContact O-N 2.9Å; T7-L49 HydrophobicContact CG2-CD1 4.46Å; T7-L49 HydrophobicContact CG2-CD2 4.12Å; T7-L56 HydrophobicContact CG2-CD2 4.21Å |
| 8 | W | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 144.2 | -178.8 | -64.8 | 99.3 | 0 | 0 | 0 | 112 | D35 K38 L40 Y42 P57 A154 Q157 Q158 D161 | W8-D35 HydrophobicContact CH2-CB 3.65Å; W8-D35 WeakPolarHBondContact CH2-OD2 3.21Å; W8-D35 HydrophobicContact CZ3-CB 3.65Å; W8-K38 HydrophobicContact CH2-CB 3.6Å; W8-K38 HydrophobicContact CH2-CG 3.54Å; W8-K38 HydrophobicContact CZ2-CB 4.34Å; W8-K38 HydrophobicContact CZ2-CG 3.97Å; W8-K38 HydrophobicContact CZ3-CB 3.95Å; W8-K38 HydrophobicContact CZ3-CG 4.4Å; W8-L40 HydrophobicContact CD2-CD1 4.22Å; W8-L40 HydrophobicContact CE3-CB 3.48Å; W8-L40 VanDerWaalsContact CE3-CB 3.48Å; W8-L40 HydrophobicContact CE3-CD1 3.82Å; W8-L40 HydrophobicContact CE3-CG 4.34Å; W8-L40 HydrophobicContact CZ3-CB 3.6Å; W8-L40 HydrophobicContact CZ3-CD1 4.31Å; W8-Y42 HydrophobicContact CZ3-CD1 4.27Å; W8-P57 VanDerWaalsContact O-CD 3.26Å; W8-P57 WeakPolarHBondContact O-CD 3.24Å; W8-A154 HydrophobicContact CB-CB 4.42Å; W8-Q157 HydrophobicContact CD2-CB 4.41Å; W8-Q157 HydrophobicContact CD2-CG 3.96Å; W8-Q157 VanDerWaalsContact CE2-CG 3.41Å; W8-Q157 HydrophobicContact CG-CB 4.35Å; W8-Q157 HydrophobicContact CG-CG 4.3Å; W8-Q157 HydrophobicContact CH2-CG 4.33Å; W8-Q157 HydrophobicContact CZ2-CG 3.58Å; W8-Q158 HydrophobicContact CB-CB 4.49Å; W8-D161 PolarHBondContact NE1-OD2 3.26Å |
| 9 | L | 92.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.2 | -174.9 | -54.5 | 176.7 | 0 | 0 | 0 | 110.8 | V11 V19 V32 W41 A43 L52 W55 L56 | L9-V11 HydrophobicContact CB-CG2 3.83Å; L9-V11 HydrophobicContact CD1-CG2 4.44Å; L9-V19 HydrophobicContact CD1-CG2 4.04Å; L9-V32 HydrophobicContact CD1-CG1 3.56Å; L9-V32 HydrophobicContact CD1-CG2 4.24Å; L9-W41 HydrophobicContact CB-CB 4.19Å; L9-W41 PolarHBondContact N-O 3.01Å; L9-A43 HydrophobicContact CD1-CB 4.42Å; L9-L52 HydrophobicContact CD1-CD1 4.11Å; L9-L52 HydrophobicContact CD2-CB 4.49Å; L9-L52 HydrophobicContact CD2-CD1 4.46Å; L9-W55 CarbonylContact C-O 3.51Å; L9-W55 WeakPolarHBondContact CA-O 3.38Å; L9-W55 HydrophobicContact CB-CB 4.25Å; L9-L56 HydrophobicContact CD2-CD2 3.96Å |
| 10 | A | 89.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | trans | -93.7 | 96.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | W55 L150 H151 A154 | A10-W55 PolarHBondContact N-O 3.43Å; A10-W55 WeakPolarHBondContact O-CB 3.36Å; A10-L150 HydrophobicContact CB-CD2 4.33Å; A10-L150 HydrophobicContact CB-CG 3.96Å; A10-H151 HydrophobicContact CB-CB 4.17Å; A10-H151 VanDerWaalsContact CB-CE1 3.49Å; A10-H151 WeakPolarHBondContact CB-CE1 3.44Å; A10-H151 VanDerWaalsContact CB-CG 3.42Å; A10-H151 VanDerWaalsContact CB-ND1 3.3Å; A10-H151 WeakPolarHBondContact CB-ND1 3.38Å; A10-A154 HydrophobicContact CB-CB 4.26Å | ||
| 11 | V | 91.5 | Very high | 86.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | trans | -115.7 | 109.5 | -178.7 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | L9 E15 T16 V19 W41 W55 L150 | L9-V11 HydrophobicContact CB-CG2 3.83Å; L9-V11 HydrophobicContact CD1-CG2 4.44Å; V11-E15 HydrophobicContact CG1-CB 4.34Å; V11-T16 HydrophobicContact CG1-CG2 4.18Å; V11-V19 HydrophobicContact CB-CG1 4.41Å; V11-V19 HydrophobicContact CG1-CB 4.03Å; V11-V19 HydrophobicContact CG1-CG1 3.65Å; V11-V19 HydrophobicContact CG2-CB 4Å; V11-V19 HydrophobicContact CG2-CG1 3.93Å; V11-V19 HydrophobicContact CG2-CG2 3.83Å; V11-W41 HydrophobicContact CB-CB 4.08Å; V11-W41 HydrophobicContact CB-CG 3.86Å; V11-W41 HydrophobicContact CG1-CG 4.28Å; V11-W41 HydrophobicContact CG2-CB 3.67Å; V11-W41 HydrophobicContact CG2-CG 3.92Å; V11-W55 HydrophobicContact CG2-CB 3.9Å; V11-W55 HydrophobicContact CG2-CG 3.81Å; V11-L150 WeakPolarHBondContact O-CD2 3.28Å | ||
| 12 | P | 88.1 | Confident | 87.3 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | trans | -59.4 | 153.2 | 173.3 | -26.3 | 36.6 | 0 | 0 | 0 | 112.4 | E14 E15 T16 L147 | P12-E14 VanDerWaalsContact C-N 3.26Å; P12-E14 VanDerWaalsContact CB-CD 3.42Å; P12-E14 WeakPolarHBondContact CB-OE1 3.17Å; P12-E14 WeakPolarHBondContact CB-OE2 3.49Å; P12-E14 PolarHBondContact O-N 3.34Å; P12-E15 HydrophobicContact CB-CG 4.29Å; P12-E15 HydrophobicContact CG-CG 4.39Å; P12-E15 PolarHBondContact O-N 2.92Å; P12-T16 PolarHBondContact O-N 2.84Å; P12-L147 HydrophobicContact CG-CD1 3.83Å | ||
| 13 | P | 81.3 | Confident | 87.4 | Confident | 37 Ų | 37 | 43 Ų | 43 | 24% | 0.24 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -52.4 | -41.2 | -177.6 | -25 | 32.8 | 0 | 0 | 0 | 113.9 | E15 T16 Y447 | P13-E15 VanDerWaalsContact C-N 3.29Å; P13-E15 PolarHBondContact O-N 3.02Å; P13-T16 WeakPolarHBondContact O-CB 3.34Å; P13-T16 WeakPolarHBondContact O-CG2 3.41Å; P13-T16 PolarHBondContact O-N 3.16Å; P13-T16 PolarHBondContact O-OG1 3.05Å; P13-Y447 HydrophobicContact CB-CD1 4.21Å; P13-Y447 HydrophobicContact CB-CE1 3.93Å; P13-Y447 HydrophobicContact CG-CD1 3.84Å; P13-Y447 HydrophobicContact CG-CE1 3.72Å; P13-Y447 HydrophobicContact CG-CE2 4.42Å; P13-Y447 HydrophobicContact CG-CG 4.25Å |
| 14 | E | 84.1 | Confident | 87.4 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -70.5 | -20.6 | 179.2 | 73.2 | -79 | -164.7 | 0 | 0 | 113.7 | P12 Y450 | P12-E14 VanDerWaalsContact C-N 3.26Å; P12-E14 VanDerWaalsContact CB-CD 3.42Å; P12-E14 WeakPolarHBondContact CB-OE1 3.17Å; P12-E14 WeakPolarHBondContact CB-OE2 3.49Å; P12-E14 PolarHBondContact O-N 3.34Å; E14-Y450 VanDerWaalsContact OE1-CE1 3.25Å; E14-Y450 WeakPolarHBondContact OE1-CE1 3.33Å; E14-Y450 PolarHBondContact OE1-OH 2.87Å; E14-Y450 VanDerWaalsContact OE2-CE1 3.23Å; E14-Y450 WeakPolarHBondContact OE2-CE1 3.46Å |
| 15 | E | 88.3 | Confident | 87.3 | Confident | 32 Ų | 32 | 43 Ų | 43 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -97.5 | 4.5 | 179.1 | -54.8 | -159.7 | -178.8 | 0 | 0 | 113 | V11 P12 P13 E17 A18 V19 R54 W55 | V11-E15 HydrophobicContact CG1-CB 4.34Å; P12-E15 HydrophobicContact CB-CG 4.29Å; P12-E15 HydrophobicContact CG-CG 4.39Å; P12-E15 PolarHBondContact O-N 2.92Å; P13-E15 VanDerWaalsContact C-N 3.29Å; P13-E15 PolarHBondContact O-N 3.02Å; E15-E17 PolarHBondContact O-N 2.79Å; E15-A18 HydrophobicContact CB-CB 4.42Å; E15-A18 WeakPolarHBondContact O-CA 3.24Å; E15-A18 WeakPolarHBondContact O-CB 3.37Å; E15-A18 PolarHBondContact O-N 3Å; E15-V19 PolarHBondContact O-N 2.72Å; E15-R54 VanDerWaalsContact CD-NH2 3.35Å; E15-R54 IonicContact OE1-CZ 2.74Å; E15-R54 IonicContact OE1-NE 3.26Å; E15-R54 PolarHBondContact OE1-NE 2.92Å; E15-R54 IonicContact OE1-NH2 2.7Å; E15-R54 PolarHBondContact OE1-NH2 3.11Å; E15-R54 IonicContact OE2-CZ 2.75Å; E15-R54 IonicContact OE2-NE 3.2Å; E15-R54 PolarHBondContact OE2-NE 2.86Å; E15-R54 IonicContact OE2-NH2 3.87Å; E15-W55 PolarHBondContact OE2-NE1 2.93Å |
| 16 | T | 87.7 | Confident | 86.9 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 17% | 0.172 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | -177.9 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | V11 P12 P13 V19 K20 W41 | V11-T16 HydrophobicContact CG1-CG2 4.18Å; P12-T16 PolarHBondContact O-N 2.84Å; P13-T16 WeakPolarHBondContact O-CB 3.34Å; P13-T16 WeakPolarHBondContact O-CG2 3.41Å; P13-T16 PolarHBondContact O-N 3.16Å; P13-T16 PolarHBondContact O-OG1 3.05Å; T16-V19 WeakPolarHBondContact O-CG1 3.34Å; T16-K20 WeakPolarHBondContact O-CD 3.28Å; T16-K20 WeakPolarHBondContact O-CE 3.44Å; T16-K20 WeakPolarHBondContact O-CG 3.24Å; T16-K20 PolarHBondContact O-N 3.49Å; T16-W41 HydrophobicContact CG2-CZ2 4Å |
| 17 | E | 86.6 | Confident | 86.4 | Confident | 105 Ų | 105 | 46.5 Ų | 46.5 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77.3 | -23.6 | 171.4 | -70.4 | -54.2 | 140 | 0 | 0 | 113.2 | E15 K20 N21 | E15-E17 PolarHBondContact O-N 2.79Å; E17-K20 VanDerWaalsContact OE1-CD 3.24Å; E17-K20 WeakPolarHBondContact OE1-CD 3.45Å; E17-K20 WeakPolarHBondContact OE1-CE 3.03Å; E17-K20 IonicContact OE1-NZ 2.71Å; E17-K20 PolarHBondContact OE1-NZ 2.76Å; E17-K20 WeakPolarHBondContact OE2-CD 3.37Å; E17-N21 PolarHBondContact O-ND2 3.43Å |
| 18 | A | 88.9 | Confident | 85.7 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.4 | -49.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E15 K20 N21 A22 W55 | E15-A18 HydrophobicContact CB-CB 4.42Å; E15-A18 WeakPolarHBondContact O-CA 3.24Å; E15-A18 WeakPolarHBondContact O-CB 3.37Å; E15-A18 PolarHBondContact O-N 3Å; A18-K20 PolarHBondContact O-N 3.42Å; A18-N21 PolarHBondContact O-N 2.85Å; A18-A22 WeakPolarHBondContact O-CB 3.43Å; A18-A22 PolarHBondContact O-N 3.3Å; A18-W55 HydrophobicContact CB-CH2 4.32Å; A18-W55 HydrophobicContact CB-CZ2 3.82Å |
| 19 | V | 89 | Confident | 85.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -36.6 | -179.2 | 82.7 | 0 | 0 | 0 | 0 | 112.7 | L9 V11 E15 T16 N21 A22 V32 W41 L52 W55 | L9-V19 HydrophobicContact CD1-CG2 4.04Å; V11-V19 HydrophobicContact CB-CG1 4.41Å; V11-V19 HydrophobicContact CG1-CB 4.03Å; V11-V19 HydrophobicContact CG1-CG1 3.65Å; V11-V19 HydrophobicContact CG2-CB 4Å; V11-V19 HydrophobicContact CG2-CG1 3.93Å; V11-V19 HydrophobicContact CG2-CG2 3.83Å; E15-V19 PolarHBondContact O-N 2.72Å; T16-V19 WeakPolarHBondContact O-CG1 3.34Å; V19-N21 PolarHBondContact O-N 2.85Å; V19-A22 PolarHBondContact O-N 2.71Å; V19-V32 HydrophobicContact CG1-CG1 4.35Å; V19-V32 HydrophobicContact CG2-CG1 4.01Å; V19-V32 HydrophobicContact CG2-CG2 4.27Å; V19-W41 HydrophobicContact CG1-CD2 4.27Å; V19-W41 HydrophobicContact CG1-CE3 4.26Å; V19-L52 HydrophobicContact CG2-CD2 3.72Å; V19-W55 HydrophobicContact CB-CD2 4.12Å; V19-W55 HydrophobicContact CB-CE3 4.32Å; V19-W55 HydrophobicContact CB-CH2 4.44Å; V19-W55 HydrophobicContact CB-CZ2 4.25Å; V19-W55 HydrophobicContact CB-CZ3 4.48Å; V19-W55 HydrophobicContact CG2-CD2 3.78Å; V19-W55 HydrophobicContact CG2-CE3 3.72Å; V19-W55 HydrophobicContact CG2-CG 4.25Å; V19-W55 HydrophobicContact CG2-CZ3 4.15Å |
| 20 | K | 87.6 | Confident | 84.8 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -27.5 | 177.7 | -77.2 | 162.7 | -168.3 | 157.6 | 0 | 113 | T16 E17 A18 W41 | T16-K20 WeakPolarHBondContact O-CD 3.28Å; T16-K20 WeakPolarHBondContact O-CE 3.44Å; T16-K20 WeakPolarHBondContact O-CG 3.24Å; T16-K20 PolarHBondContact O-N 3.49Å; E17-K20 VanDerWaalsContact OE1-CD 3.24Å; E17-K20 WeakPolarHBondContact OE1-CD 3.45Å; E17-K20 WeakPolarHBondContact OE1-CE 3.03Å; E17-K20 IonicContact OE1-NZ 2.71Å; E17-K20 PolarHBondContact OE1-NZ 2.76Å; E17-K20 WeakPolarHBondContact OE2-CD 3.37Å; A18-K20 PolarHBondContact O-N 3.42Å; K20-W41 HydrophobicContact CD-CH2 4.34Å; K20-W41 HydrophobicContact CG-CH2 4.26Å; K20-W41 HydrophobicContact CG-CZ3 4.19Å |
| 21 | N | 86.3 | Confident | 84.7 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -111.5 | -6.9 | -174.8 | -64.3 | -63 | 0 | 0 | 0 | 113.4 | E17 A18 V19 V23 | E17-N21 PolarHBondContact O-ND2 3.43Å; A18-N21 PolarHBondContact O-N 2.85Å; V19-N21 PolarHBondContact O-N 2.85Å; N21-V23 VanDerWaalsContact C-N 3.28Å; N21-V23 PolarHBondContact O-N 3.33Å |
| 22 | A | 86.3 | Confident | 84.7 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 28% | 0.281 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -68.4 | -21.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A18 V19 L52 W55 | A18-A22 WeakPolarHBondContact O-CB 3.43Å; A18-A22 PolarHBondContact O-N 3.3Å; V19-A22 PolarHBondContact O-N 2.71Å; A22-L52 HydrophobicContact CB-CD2 4.24Å; A22-W55 HydrophobicContact CB-CH2 3.71Å; A22-W55 HydrophobicContact CB-CZ3 3.52Å |
| 23 | V | 84.7 | Confident | 84.8 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -128.6 | 133.2 | -178.1 | -169.9 | 0 | 0 | 0 | 0 | 110.3 | N21 A31 T47 L51 L52 | N21-V23 VanDerWaalsContact C-N 3.28Å; N21-V23 PolarHBondContact O-N 3.33Å; V23-A31 HydrophobicContact CB-CB 3.94Å; V23-A31 HydrophobicContact CG1-CB 3.68Å; V23-T47 HydrophobicContact CG1-CG2 4.21Å; V23-T47 HydrophobicContact CG2-CG2 4.36Å; V23-L51 HydrophobicContact CG1-CD1 4.24Å; V23-L51 HydrophobicContact CG2-CB 3.9Å; V23-L51 HydrophobicContact CG2-CD1 4.48Å; V23-L52 HydrophobicContact CG2-CD1 4.01Å; V23-L52 HydrophobicContact CG2-CD2 3.62Å; V23-L52 HydrophobicContact CG2-CG 3.64Å |
| 24 | P | 82.1 | Confident | 85.3 | Confident | 92 Ų | 92 | 62.9 Ų | 62.9 | 60% | 0.597 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 148.8 | 171.6 | -26.4 | 35.2 | 0 | 0 | 0 | 113 | L26 | P24-L26 PolarHBondContact O-N 2.73Š|
| 25 | P | 80.8 | Confident | 85.6 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -54 | 135.7 | 176.8 | -27.2 | 35.5 | 0 | 0 | 0 | 113.1 | R29 | P25-R29 CarbonylContact C-O 3.54Å; P25-R29 VanDerWaalsContact CA-O 3.31Å; P25-R29 WeakPolarHBondContact CA-O 3.36Å; P25-R29 WeakPolarHBondContact CB-O 3.19Å |
| 26 | L | 78.6 | Confident | 85.2 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 117.7 | 177.8 | -172 | 69.5 | 0 | 0 | 0 | 108.7 | P24 G28 R29 A31 A45 | P24-L26 PolarHBondContact O-N 2.73Å; L26-G28 PolarHBondContact O-N 2.57Å; L26-R29 PolarHBondContact N-O 3.25Å; L26-R29 PolarHBondContact O-N 2.72Å; L26-A31 HydrophobicContact CB-CB 4.11Å; L26-A45 WeakPolarHBondContact CD2-O 3.33Å |
| 27 | N | 78.2 | Confident | 84.6 | Confident | 161 Ų | 161 | 67.2 Ų | 67.2 | 86% | 0.861 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.7 | -176.7 | -57.9 | -9.5 | 0 | 0 | 0 | 113.2 | R29 | N27-R29 PolarHBondContact O-N 2.86Š|
| 28 | G | 76.2 | Confident | 84.2 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 77% | 0.773 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -16.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L26 | L26-G28 PolarHBondContact O-N 2.57Š|
| 29 | R | 79.7 | Confident | 83.8 | Confident | 97 Ų | 97 | 63.8 Ų | 63.8 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -92.4 | 157.2 | 175.8 | -68 | -179.6 | 170.3 | 142.7 | -0.3 | 110.7 | P25 L26 N27 A31 D622 D626 | P25-R29 CarbonylContact C-O 3.54Å; P25-R29 VanDerWaalsContact CA-O 3.31Å; P25-R29 WeakPolarHBondContact CA-O 3.36Å; P25-R29 WeakPolarHBondContact CB-O 3.19Å; L26-R29 PolarHBondContact N-O 3.25Å; L26-R29 PolarHBondContact O-N 2.72Å; N27-R29 PolarHBondContact O-N 2.86Å; R29-A31 PolarHBondContact O-N 2.89Å; R29-D622 IonicContact CZ-OD1 2.72Å; R29-D622 IonicContact CZ-OD2 2.69Å; R29-D622 IonicContact NE-OD1 2.86Å; R29-D622 VanDerWaalsContact NH1-CB 3.34Å; R29-D622 IonicContact NH1-OD1 3.64Å; R29-D622 PolarHBondContact NH1-OD1 2.96Å; R29-D622 IonicContact NH1-OD2 2.69Å; R29-D622 PolarHBondContact NH1-OD2 2.82Å; R29-D622 IonicContact NH2-OD1 3.4Å; R29-D626 IonicContact NH2-OD2 3.39Å |
| 30 | K | 85.5 | Confident | 83.7 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | trans | -62.8 | 131.6 | 174 | -69.7 | -170 | 177.2 | -173.6 | 0 | 109.5 | V32 | K30-V32 WeakPolarHBondContact CB-O 3.3Å; K30-V32 PolarHBondContact O-N 3.35Å | ||
| 31 | A | 87.8 | Confident | 83.9 | Confident | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -67.7 | -21.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | V23 L26 R29 R44 T47 | V23-A31 HydrophobicContact CB-CB 3.94Å; V23-A31 HydrophobicContact CG1-CB 3.68Å; L26-A31 HydrophobicContact CB-CB 4.11Å; R29-A31 PolarHBondContact O-N 2.89Å; A31-R44 PolarHBondContact O-N 3.45Å; A31-T47 HydrophobicContact CB-CG2 4.19Å; A31-T47 PolarHBondContact O-OG1 2.81Å; A31-T47 VanDerWaalsContact O-OG1 3.06Å |
| 32 | V | 91.4 | Very high | 84.3 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.9 | 172.9 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | L9 V19 K30 W41 Y42 L52 | L9-V32 HydrophobicContact CD1-CG1 3.56Å; L9-V32 HydrophobicContact CD1-CG2 4.24Å; V19-V32 HydrophobicContact CG1-CG1 4.35Å; V19-V32 HydrophobicContact CG2-CG1 4.01Å; V19-V32 HydrophobicContact CG2-CG2 4.27Å; K30-V32 WeakPolarHBondContact CB-O 3.3Å; K30-V32 PolarHBondContact O-N 3.35Å; V32-W41 HydrophobicContact CG1-CB 4.4Å; V32-W41 HydrophobicContact CG1-CE3 4.02Å; V32-Y42 WeakPolarHBondContact CA-O 3.29Å; V32-Y42 WeakPolarHBondContact CG1-O 3.34Å; V32-L52 HydrophobicContact CG2-CD1 3.74Å; V32-L52 HydrophobicContact CG2-CD2 3.93Å; V32-L52 HydrophobicContact CG2-CG 4.49Å |
| 33 | A | 90.7 | Very high | 84.6 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 17% | 0.174 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 169.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W41 Y42 | A33-W41 VanDerWaalsContact C-CE3 3.47Å; A33-W41 CarbonylContact O-C 3.56Å; A33-W41 WeakPolarHBondContact O-CA 3.28Å; A33-W41 VanDerWaalsContact O-CE3 3.29Å; A33-Y42 HydrophobicContact CB-CD1 4.35Å; A33-Y42 HydrophobicContact CB-CE1 3.7Å; A33-Y42 HydrophobicContact CB-CE2 4.24Å; A33-Y42 PolarHBondContact N-O 3.16Å; A33-Y42 WeakPolarHBondContact O-CD1 3.43Å; A33-Y42 PolarHBondContact O-N 3.01Å |
| 34 | W | 91.5 | Very high | 84.9 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.9 | 176.9 | 172.8 | -104.1 | 0 | 0 | 0 | 109.7 | K39 W41 Y447 | W34-K39 HydrophobicContact CH2-CB 3.85Å; W34-K39 WeakPolarHBondContact CH2-O 3.42Å; W34-K39 VanDerWaalsContact CZ2-CA 3.48Å; W34-K39 HydrophobicContact CZ2-CB 3.74Å; W34-K39 HydrophobicContact CZ2-CG 4.18Å; W34-K39 VanDerWaalsContact CZ3-C 3.46Å; W34-W41 HydrophobicContact CB-CD2 4.29Å; W34-W41 HydrophobicContact CB-CE3 4.11Å; W34-W41 HydrophobicContact CB-CH2 3.91Å; W34-W41 HydrophobicContact CB-CZ2 4.12Å; W34-W41 HydrophobicContact CB-CZ3 3.93Å; W34-W41 AromaticContact CE3-CD1 3.43Å; W34-W41 VanDerWaalsContact CE3-CD1 3.43Å; W34-W41 AromaticContact CE3-CD2 3.99Å; W34-W41 HydrophobicContact CE3-CD2 3.99Å; W34-W41 AromaticContact CE3-CE2 3.66Å; W34-W41 AromaticContact CE3-CG 3.86Å; W34-W41 HydrophobicContact CE3-CG 3.86Å; W34-W41 HydrophobicContact CE3-CZ2 4.28Å; W34-W41 AromaticContact CE3-NE1 3.31Å; W34-W41 VanDerWaalsContact CE3-NE1 3.31Å; W34-W41 AromaticContact CZ3-CD1 3.56Å; W34-W41 HydrophobicContact CZ3-CG 4.37Å; W34-W41 AromaticContact CZ3-NE1 3.54Å; W34-Y447 HydrophobicContact CH2-CE2 4.26Å |
| 35 | D | 89.6 | Confident | 85.2 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 116 | 171.8 | -174.2 | -55.9 | 0 | 0 | 0 | 109.1 | R6 W8 E37 K38 K39 L40 Y42 | R6-D35 IonicContact NH1-OD2 2.73Å; R6-D35 PolarHBondContact NH1-OD2 2.84Å; W8-D35 HydrophobicContact CH2-CB 3.65Å; W8-D35 WeakPolarHBondContact CH2-OD2 3.21Å; W8-D35 HydrophobicContact CZ3-CB 3.65Å; D35-E37 WeakPolarHBondContact OD1-CB 3.38Å; D35-E37 PolarHBondContact OD1-N 3.21Å; D35-K38 HydrophobicContact CB-CB 4.25Å; D35-K38 WeakPolarHBondContact OD1-CG 3.46Å; D35-K38 PolarHBondContact OD1-N 3.39Å; D35-K39 VanDerWaalsContact O-CA 3.26Å; D35-K39 WeakPolarHBondContact O-CA 3.11Å; D35-K39 PolarHBondContact O-N 2.82Å; D35-L40 PolarHBondContact N-O 3.23Å; D35-Y42 HydrophobicContact CB-CD1 4.02Å; D35-Y42 HydrophobicContact CB-CE1 4.08Å |
| 36 | P | 79.5 | Confident | 85.5 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -22.4 | -175.1 | 30.7 | -35.2 | 0 | 0 | 0 | 113.9 | K39 N440 | P36-K39 WeakPolarHBondContact O-CG 3.24Å; P36-N440 PolarHBondContact O-ND2 2.75Å |
| 37 | E | 75.5 | Confident | 85.9 | Confident | 139 Ų | 139 | 52 Ų | 52 | 65% | 0.65 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -51.3 | 173.4 | -61.6 | -173.9 | 171.8 | 0 | 0 | 110.2 | D35 K39 | D35-E37 WeakPolarHBondContact OD1-CB 3.38Å; D35-E37 PolarHBondContact OD1-N 3.21Å; E37-K39 VanDerWaalsContact C-N 3.34Å |
| 38 | K | 78.7 | Confident | 86.4 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -18.4 | -173.8 | -52.7 | -53.2 | 178.3 | -104.5 | 0 | 112.3 | W8 D35 L40 R153 Q157 | W8-K38 HydrophobicContact CH2-CB 3.6Å; W8-K38 HydrophobicContact CH2-CG 3.54Å; W8-K38 HydrophobicContact CZ2-CB 4.34Å; W8-K38 HydrophobicContact CZ2-CG 3.97Å; W8-K38 HydrophobicContact CZ3-CB 3.95Å; W8-K38 HydrophobicContact CZ3-CG 4.4Å; D35-K38 HydrophobicContact CB-CB 4.25Å; D35-K38 WeakPolarHBondContact OD1-CG 3.46Å; D35-K38 PolarHBondContact OD1-N 3.39Å; K38-L40 VanDerWaalsContact C-N 3.34Å; K38-R153 VanDerWaalsContact O-CZ 3.29Å; K38-R153 PolarHBondContact O-NE 2.98Å; K38-R153 PolarHBondContact O-NH2 3Å; K38-Q157 HydrophobicContact CG-CG 4.38Å |
| 39 | K | 80.6 | Confident | 86.9 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 53 | -178.3 | -56.2 | 173.4 | -171.5 | 167.1 | 0 | 111.2 | W34 D35 P36 E37 N440 Y443 | W34-K39 HydrophobicContact CH2-CB 3.85Å; W34-K39 WeakPolarHBondContact CH2-O 3.42Å; W34-K39 VanDerWaalsContact CZ2-CA 3.48Å; W34-K39 HydrophobicContact CZ2-CB 3.74Å; W34-K39 HydrophobicContact CZ2-CG 4.18Å; W34-K39 VanDerWaalsContact CZ3-C 3.46Å; D35-K39 VanDerWaalsContact O-CA 3.26Å; D35-K39 WeakPolarHBondContact O-CA 3.11Å; D35-K39 PolarHBondContact O-N 2.82Å; P36-K39 WeakPolarHBondContact O-CG 3.24Å; E37-K39 VanDerWaalsContact C-N 3.34Å; K39-N440 WeakPolarHBondContact CE-ND2 3.34Å; K39-N440 WeakPolarHBondContact CE-OD1 3.45Å; K39-N440 VanDerWaalsContact NZ-CG 3.27Å; K39-N440 PolarHBondContact NZ-OD1 2.76Å; K39-Y443 HydrophobicContact CD-CD2 4.39Å; K39-Y443 HydrophobicContact CD-CG 4.05Å |
| 40 | L | 86.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149.3 | -178.6 | -76.3 | 173.6 | 0 | 0 | 0 | 109.1 | W8 D35 K38 L150 R153 A154 Q157 | W8-L40 HydrophobicContact CD2-CD1 4.22Å; W8-L40 HydrophobicContact CE3-CB 3.48Å; W8-L40 VanDerWaalsContact CE3-CB 3.48Å; W8-L40 HydrophobicContact CE3-CD1 3.82Å; W8-L40 HydrophobicContact CE3-CG 4.34Å; W8-L40 HydrophobicContact CZ3-CB 3.6Å; W8-L40 HydrophobicContact CZ3-CD1 4.31Å; D35-L40 PolarHBondContact N-O 3.23Å; K38-L40 VanDerWaalsContact C-N 3.34Å; L40-L150 HydrophobicContact CD2-CD1 3.92Å; L40-R153 HydrophobicContact CD1-CG 4.17Å; L40-R153 HydrophobicContact CD2-CB 4.39Å; L40-R153 HydrophobicContact CD2-CG 4.09Å; L40-R153 HydrophobicContact CG-CG 4.24Å; L40-A154 HydrophobicContact CD1-CB 4.46Å; L40-A154 HydrophobicContact CD2-CB 4.03Å; L40-Q157 HydrophobicContact CD1-CB 3.87Å; L40-Q157 HydrophobicContact CD1-CG 4.35Å |
| 41 | W | 92.8 | Very high | 87.4 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 147.8 | 166.9 | -70.5 | 86.5 | 0 | 0 | 0 | 109.8 | L9 V11 T16 V19 K20 V32 A33 W34 | L9-W41 HydrophobicContact CB-CB 4.19Å; L9-W41 PolarHBondContact N-O 3.01Å; V11-W41 HydrophobicContact CB-CB 4.08Å; V11-W41 HydrophobicContact CB-CG 3.86Å; V11-W41 HydrophobicContact CG1-CG 4.28Å; V11-W41 HydrophobicContact CG2-CB 3.67Å; V11-W41 HydrophobicContact CG2-CG 3.92Å; T16-W41 HydrophobicContact CG2-CZ2 4Å; V19-W41 HydrophobicContact CG1-CD2 4.27Å; V19-W41 HydrophobicContact CG1-CE3 4.26Å; K20-W41 HydrophobicContact CD-CH2 4.34Å; K20-W41 HydrophobicContact CG-CH2 4.26Å; K20-W41 HydrophobicContact CG-CZ3 4.19Å; V32-W41 HydrophobicContact CG1-CB 4.4Å; V32-W41 HydrophobicContact CG1-CE3 4.02Å; A33-W41 VanDerWaalsContact C-CE3 3.47Å; A33-W41 CarbonylContact O-C 3.56Å; A33-W41 WeakPolarHBondContact O-CA 3.28Å; A33-W41 VanDerWaalsContact O-CE3 3.29Å; W34-W41 HydrophobicContact CB-CD2 4.29Å; W34-W41 HydrophobicContact CB-CE3 4.11Å; W34-W41 HydrophobicContact CB-CH2 3.91Å; W34-W41 HydrophobicContact CB-CZ2 4.12Å; W34-W41 HydrophobicContact CB-CZ3 3.93Å; W34-W41 AromaticContact CE3-CD1 3.43Å; W34-W41 VanDerWaalsContact CE3-CD1 3.43Å; W34-W41 AromaticContact CE3-CD2 3.99Å; W34-W41 HydrophobicContact CE3-CD2 3.99Å; W34-W41 AromaticContact CE3-CE2 3.66Å; W34-W41 AromaticContact CE3-CG 3.86Å; W34-W41 HydrophobicContact CE3-CG 3.86Å; W34-W41 HydrophobicContact CE3-CZ2 4.28Å; W34-W41 AromaticContact CE3-NE1 3.31Å; W34-W41 VanDerWaalsContact CE3-NE1 3.31Å; W34-W41 AromaticContact CZ3-CD1 3.56Å; W34-W41 HydrophobicContact CZ3-CG 4.37Å; W34-W41 AromaticContact CZ3-NE1 3.54Å |
| 42 | Y | 93.4 | Very high | 87.5 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 138.2 | 176.8 | 71.5 | -86.6 | 0 | 0 | 0 | 112.3 | R6 T7 W8 V32 A33 D35 R44 | R6-Y42 HydrophobicContact CG-CD2 3.62Å; R6-Y42 HydrophobicContact CG-CE2 4.44Å; R6-Y42 HydrophobicContact CG-CG 3.95Å; T7-Y42 CarbonylContact O-C 3.51Å; T7-Y42 VanDerWaalsContact O-CA 3.29Å; T7-Y42 WeakPolarHBondContact O-CA 3.49Å; W8-Y42 HydrophobicContact CZ3-CD1 4.27Å; V32-Y42 WeakPolarHBondContact CA-O 3.29Å; V32-Y42 WeakPolarHBondContact CG1-O 3.34Å; A33-Y42 HydrophobicContact CB-CD1 4.35Å; A33-Y42 HydrophobicContact CB-CE1 3.7Å; A33-Y42 HydrophobicContact CB-CE2 4.24Å; A33-Y42 PolarHBondContact N-O 3.16Å; A33-Y42 WeakPolarHBondContact O-CD1 3.43Å; A33-Y42 PolarHBondContact O-N 3.01Å; D35-Y42 HydrophobicContact CB-CD1 4.02Å; D35-Y42 HydrophobicContact CB-CE1 4.08Å; Y42-R44 HydrophobicContact CD2-CG 4.43Å; Y42-R44 HydrophobicContact CE2-CG 3.91Å |
| 43 | A | 93 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | R6 T7 L9 T47 L49 L52 | R6-A43 WeakPolarHBondContact CA-O 3.31Å; T7-A43 PolarHBondContact N-O 2.85Å; T7-A43 VanDerWaalsContact N-O 3.08Å; T7-A43 PolarHBondContact O-N 2.9Å; L9-A43 HydrophobicContact CD1-CB 4.42Å; A43-T47 HydrophobicContact CB-CG2 3.83Å; A43-L49 HydrophobicContact CB-CD2 4.06Å; A43-L52 HydrophobicContact CB-CD1 3.75Å |
| 44 | R | 91 | Very high | 87.2 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 25% | 0.249 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 152.9 | 171.9 | -72.4 | -174.6 | 168 | -126.4 | 2.6 | 110.2 | A31 Y42 T47 D622 | A31-R44 PolarHBondContact O-N 3.45Å; Y42-R44 HydrophobicContact CD2-CG 4.43Å; Y42-R44 HydrophobicContact CE2-CG 3.91Å; R44-T47 WeakPolarHBondContact O-CB 3.41Å; R44-T47 PolarHBondContact O-N 3.28Å; R44-T47 VanDerWaalsContact O-N 3.15Å; R44-T47 PolarHBondContact O-OG1 2.79Å; R44-D622 IonicContact CZ-OD2 2.88Å; R44-D622 IonicContact NH1-OD1 3.55Å; R44-D622 IonicContact NH1-OD2 3.1Å; R44-D622 PolarHBondContact NH1-OD2 3.03Å; R44-D622 IonicContact NH2-OD1 3.6Å; R44-D622 IonicContact NH2-OD2 2.72Å |
| 45 | A | 89 | Confident | 87.2 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 141 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y5 L26 T47 | Y5-A45 WeakPolarHBondContact O-CA 3.48Å; L26-A45 WeakPolarHBondContact CD2-O 3.33Å; A45-T47 VanDerWaalsContact C-N 3.34Å |
| 46 | G | 85.7 | Confident | 87.2 | Confident | 28 Ų | 28 | 53 Ų | 53 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -14.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K2 S3 | K2-G46 WeakPolarHBondContact CD-O 3.36Å; S3-G46 WeakPolarHBondContact O-CA 3.46Å; S3-G46 PolarHBondContact O-N 3.25Å |
| 47 | T | 88.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | trans | -63 | 138.7 | 177.7 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | K2 S3 V23 A31 A43 R44 A45 L49 L52 | K2-T47 CarbonylContact C-O 3.55Å; K2-T47 VanDerWaalsContact CA-O 3.31Å; K2-T47 WeakPolarHBondContact CA-O 3.2Å; S3-T47 PolarHBondContact N-O 3.47Å; V23-T47 HydrophobicContact CG1-CG2 4.21Å; V23-T47 HydrophobicContact CG2-CG2 4.36Å; A31-T47 HydrophobicContact CB-CG2 4.19Å; A31-T47 PolarHBondContact O-OG1 2.81Å; A31-T47 VanDerWaalsContact O-OG1 3.06Å; A43-T47 HydrophobicContact CB-CG2 3.83Å; R44-T47 WeakPolarHBondContact O-CB 3.41Å; R44-T47 PolarHBondContact O-N 3.28Å; R44-T47 VanDerWaalsContact O-N 3.15Å; R44-T47 PolarHBondContact O-OG1 2.79Å; A45-T47 VanDerWaalsContact C-N 3.34Å; T47-L49 PolarHBondContact O-N 3.33Å; T47-L52 HydrophobicContact CG2-CD1 3.61Å | ||
| 48 | E | 88.1 | Confident | 87.6 | Confident | 70 Ų | 70 | 48 Ų | 48 | 33% | 0.327 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -77.7 | 99.4 | 177.1 | 178 | 99.2 | -131.2 | 0 | 0 | 110.8 | M1 S50 L51 | M1-E48 PolarHBondContact N-OE1 2.86Å; E48-S50 PolarHBondContact O-N 2.94Å; E48-S50 VanDerWaalsContact O-N 3.17Å; E48-S50 PolarHBondContact OE1-OG 2.78Å; E48-L51 HydrophobicContact CB-CD1 4.26Å; E48-L51 HydrophobicContact CG-CD1 4.16Å; E48-L51 HydrophobicContact CG-CG 4.04Å; E48-L51 PolarHBondContact O-N 2.85Å; E48-L51 VanDerWaalsContact O-N 3.15Å |
| 49 | L | 87.5 | Confident | 87 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -64.6 | -19.6 | -177 | -60.8 | 179.2 | 0 | 0 | 0 | 113.8 | M1 T7 A43 T47 L51 L52 E53 L56 | M1-L49 PolarHBondContact O-N 2.93Å; T7-L49 HydrophobicContact CG2-CD1 4.46Å; T7-L49 HydrophobicContact CG2-CD2 4.12Å; A43-L49 HydrophobicContact CB-CD2 4.06Å; T47-L49 PolarHBondContact O-N 3.33Å; L49-L51 PolarHBondContact O-N 3.04Å; L49-L52 CarbonylContact O-C 3.58Å; L49-L52 PolarHBondContact O-N 2.9Å; L49-E53 PolarHBondContact O-N 3.48Å; L49-L56 HydrophobicContact CD2-CD2 4.43Å |
| 50 | S | 87.1 | Confident | 86.2 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -59.8 | -29.9 | 174.4 | -20.4 | 0 | 0 | 0 | 0 | 112.5 | M1 E48 L52 | M1-S50 PolarHBondContact N-OG 3.13Å; E48-S50 PolarHBondContact O-N 2.94Å; E48-S50 VanDerWaalsContact O-N 3.17Å; E48-S50 PolarHBondContact OE1-OG 2.78Å; S50-L52 VanDerWaalsContact C-N 3.27Å |
| 51 | L | 87.7 | Confident | 85.2 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -84.6 | -4.2 | 177.9 | -62.5 | 174.6 | 0 | 0 | 0 | 112.4 | V23 E48 L49 | V23-L51 HydrophobicContact CG1-CD1 4.24Å; V23-L51 HydrophobicContact CG2-CB 3.9Å; V23-L51 HydrophobicContact CG2-CD1 4.48Å; E48-L51 HydrophobicContact CB-CD1 4.26Å; E48-L51 HydrophobicContact CG-CD1 4.16Å; E48-L51 HydrophobicContact CG-CG 4.04Å; E48-L51 PolarHBondContact O-N 2.85Å; E48-L51 VanDerWaalsContact O-N 3.15Å; L49-L51 PolarHBondContact O-N 3.04Å |
| 52 | L | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -120.8 | 7.7 | -176 | -65.1 | 175.8 | 0 | 0 | 0 | 113.5 | L9 V19 A22 V23 V32 A43 T47 L49 S50 R54 W55 L56 | L9-L52 HydrophobicContact CD1-CD1 4.11Å; L9-L52 HydrophobicContact CD2-CB 4.49Å; L9-L52 HydrophobicContact CD2-CD1 4.46Å; V19-L52 HydrophobicContact CG2-CD2 3.72Å; A22-L52 HydrophobicContact CB-CD2 4.24Å; V23-L52 HydrophobicContact CG2-CD1 4.01Å; V23-L52 HydrophobicContact CG2-CD2 3.62Å; V23-L52 HydrophobicContact CG2-CG 3.64Å; V32-L52 HydrophobicContact CG2-CD1 3.74Å; V32-L52 HydrophobicContact CG2-CD2 3.93Å; V32-L52 HydrophobicContact CG2-CG 4.49Å; A43-L52 HydrophobicContact CB-CD1 3.75Å; T47-L52 HydrophobicContact CG2-CD1 3.61Å; L49-L52 CarbonylContact O-C 3.58Å; L49-L52 PolarHBondContact O-N 2.9Å; S50-L52 VanDerWaalsContact C-N 3.27Å; L52-R54 PolarHBondContact O-N 2.84Å; L52-R54 VanDerWaalsContact O-N 3.08Å; L52-W55 HydrophobicContact CB-CE3 4.37Å; L52-W55 HydrophobicContact CD2-CE3 3.67Å; L52-W55 HydrophobicContact CD2-CZ3 3.86Å; L52-W55 PolarHBondContact O-N 2.86Å; L52-L56 PolarHBondContact O-N 2.68Å |
| 53 | E | 88.3 | Confident | 81.6 | Confident | 138 Ų | 138 | 64.3 Ų | 64.3 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -51.2 | -37.4 | -173.6 | -172.7 | 167.4 | -145.3 | 0 | 0 | 113.3 | L49 W55 L56 | L49-E53 PolarHBondContact O-N 3.48Å; E53-W55 VanDerWaalsContact C-N 3.29Å; E53-W55 PolarHBondContact O-N 3.37Å; E53-L56 PolarHBondContact O-N 2.9Å |
| 54 | R | 88.2 | Confident | 79.7 | Confident | 155 Ų | 155 | 66.6 Ų | 66.6 | 59% | 0.585 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -50.5 | -45.1 | 173 | -177.5 | 174.1 | -179.1 | 132.5 | 1.6 | 113 | E15 L52 R58 | E15-R54 VanDerWaalsContact CD-NH2 3.35Å; E15-R54 IonicContact OE1-CZ 2.74Å; E15-R54 IonicContact OE1-NE 3.26Å; E15-R54 PolarHBondContact OE1-NE 2.92Å; E15-R54 IonicContact OE1-NH2 2.7Å; E15-R54 PolarHBondContact OE1-NH2 3.11Å; E15-R54 IonicContact OE2-CZ 2.75Å; E15-R54 IonicContact OE2-NE 3.2Å; E15-R54 PolarHBondContact OE2-NE 2.86Å; E15-R54 IonicContact OE2-NH2 3.87Å; L52-R54 PolarHBondContact O-N 2.84Å; L52-R54 VanDerWaalsContact O-N 3.08Å; R54-R58 PolarHBondContact O-NH2 3.48Å |
| 55 | W | 91.4 | Very high | 77.4 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 7% | 0.072 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -99.3 | 4.9 | -171.7 | -56.1 | -69 | 0 | 0 | 0 | 114.2 | L9 A10 V11 E15 A18 V19 A22 L52 E53 | L9-W55 CarbonylContact C-O 3.51Å; L9-W55 WeakPolarHBondContact CA-O 3.38Å; L9-W55 HydrophobicContact CB-CB 4.25Å; A10-W55 PolarHBondContact N-O 3.43Å; A10-W55 WeakPolarHBondContact O-CB 3.36Å; V11-W55 HydrophobicContact CG2-CB 3.9Å; V11-W55 HydrophobicContact CG2-CG 3.81Å; E15-W55 PolarHBondContact OE2-NE1 2.93Å; A18-W55 HydrophobicContact CB-CH2 4.32Å; A18-W55 HydrophobicContact CB-CZ2 3.82Å; V19-W55 HydrophobicContact CB-CD2 4.12Å; V19-W55 HydrophobicContact CB-CE3 4.32Å; V19-W55 HydrophobicContact CB-CH2 4.44Å; V19-W55 HydrophobicContact CB-CZ2 4.25Å; V19-W55 HydrophobicContact CB-CZ3 4.48Å; V19-W55 HydrophobicContact CG2-CD2 3.78Å; V19-W55 HydrophobicContact CG2-CE3 3.72Å; V19-W55 HydrophobicContact CG2-CG 4.25Å; V19-W55 HydrophobicContact CG2-CZ3 4.15Å; A22-W55 HydrophobicContact CB-CH2 3.71Å; A22-W55 HydrophobicContact CB-CZ3 3.52Å; L52-W55 HydrophobicContact CB-CE3 4.37Å; L52-W55 HydrophobicContact CD2-CE3 3.67Å; L52-W55 HydrophobicContact CD2-CZ3 3.86Å; L52-W55 PolarHBondContact O-N 2.86Å; E53-W55 VanDerWaalsContact C-N 3.29Å; E53-W55 PolarHBondContact O-N 3.37Å |
| 56 | L | 89.7 | Confident | 75.3 | Confident | 43 Ų | 43 | 74 Ų | 74 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -67 | 143.4 | 174.6 | -67.4 | 177.9 | 0 | 0 | 0 | 110.6 | T7 L9 L49 L52 E53 R58 H151 | T7-L56 HydrophobicContact CG2-CD2 4.21Å; L9-L56 HydrophobicContact CD2-CD2 3.96Å; L49-L56 HydrophobicContact CD2-CD2 4.43Å; L52-L56 PolarHBondContact O-N 2.68Å; E53-L56 PolarHBondContact O-N 2.9Å; L56-R58 PolarHBondContact O-N 2.81Å; L56-R58 VanDerWaalsContact O-N 3.16Å; L56-H151 PolarHBondContact O-CE1 3.33Å; L56-H151 VanDerWaalsContact O-CE1 3.29Å; L56-H151 PolarHBondContact O-ND1 2.97Å; L56-H151 VanDerWaalsContact O-ND1 3.16Å |
| 57 | P | 82.8 | Confident | 73.9 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 17% | 0.169 | 40% | 0.395 | C | S | . | . | trans | -63.6 | 114.3 | 177.8 | 22.6 | -31.6 | 0 | 0 | 0 | 111.1 | W8 P59 A154 F155 | W8-P57 VanDerWaalsContact O-CD 3.26Å; W8-P57 WeakPolarHBondContact O-CD 3.24Å; P57-P59 WeakPolarHBondContact O-CD 3.48Å; P57-A154 HydrophobicContact CB-CB 4.02Å; P57-F155 HydrophobicContact CB-CB 3.99Å | ||
| 58 | R | 80 | Confident | 73 | Confident | 86 Ų | 86 | 76.5 Ų | 76.5 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | trans | -126.4 | 57.3 | -177.2 | -69.3 | 175.7 | -67.8 | 124.3 | -3.4 | 110.8 | R54 L56 Q60 E61 H151 | R54-R58 PolarHBondContact O-NH2 3.48Å; L56-R58 PolarHBondContact O-N 2.81Å; L56-R58 VanDerWaalsContact O-N 3.16Å; R58-Q60 PolarHBondContact O-N 3.45Å; R58-E61 HydrophobicContact CB-CB 4.28Å; R58-E61 HydrophobicContact CB-CG 4.29Å; R58-E61 WeakPolarHBondContact CD-OE1 3.49Å; R58-E61 WeakPolarHBondContact CD-OE2 3.45Å; R58-E61 IonicContact CZ-OE2 2.7Å; R58-E61 IonicContact NE-OE2 2.92Å; R58-E61 IonicContact NH1-OE2 3.95Å; R58-E61 PolarHBondContact NH1-OE2 3.26Å; R58-E61 PolarHBondContact O-N 3.11Å; R58-H151 PolarHBondContact N-ND1 2.68Å | ||
| 59 | P | 66.2 | Low | 72.5 | Confident | 31 Ų | 31 | 73.2 Ų | 73.2 | 20% | 0.201 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -11.3 | -173.9 | 30.1 | -38.4 | 0 | 0 | 0 | 114.3 | P57 L152 F155 | P57-P59 WeakPolarHBondContact O-CD 3.48Å; P59-L152 HydrophobicContact CB-CD2 3.67Å; P59-L152 HydrophobicContact CB-CG 4.25Å; P59-F155 HydrophobicContact CG-CB 3.91Å; P59-F155 HydrophobicContact CG-CD1 4.18Å; P59-F155 HydrophobicContact CG-CD2 3.92Å; P59-F155 HydrophobicContact CG-CE2 4.49Å; P59-F155 HydrophobicContact CG-CG 3.74Å |
| 60 | Q | 63.8 | Low | 72 | Confident | 187 Ų | 187 | 73 Ų | 73 | 87% | 0.874 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.7 | 176.2 | -65.2 | 174.9 | -9.3 | 0 | 0 | 113.3 | R58 | R58-Q60 PolarHBondContact O-N 3.45Š|
| 61 | E | 66.2 | Low | 71.3 | Confident | 130 Ų | 130 | 73.7 Ų | 73.7 | 61% | 0.607 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -11.1 | -179.3 | -66.3 | 174.6 | -150.5 | 0 | 0 | 112.9 | R58 | R58-E61 HydrophobicContact CB-CB 4.28Å; R58-E61 HydrophobicContact CB-CG 4.29Å; R58-E61 WeakPolarHBondContact CD-OE1 3.49Å; R58-E61 WeakPolarHBondContact CD-OE2 3.45Å; R58-E61 IonicContact CZ-OE2 2.7Å; R58-E61 IonicContact NE-OE2 2.92Å; R58-E61 IonicContact NH1-OE2 3.95Å; R58-E61 PolarHBondContact NH1-OE2 3.26Å; R58-E61 PolarHBondContact O-N 3.11Å |
| 62 | L | 61 | Low | 71 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -101.5 | 107.4 | -179 | -73 | 151.6 | 0 | 0 | 0 | 109.1 | M64 L147 A148 H151 | L62-M64 PolarHBondContact O-N 3.19Å; L62-L147 HydrophobicContact CD1-CG 4.44Å; L62-L147 HydrophobicContact CD2-CD2 3.92Å; L62-L147 HydrophobicContact CD2-CG 4.08Å; L62-A148 HydrophobicContact CB-CB 4.14Å; L62-H151 HydrophobicContact CD1-CB 3.7Å; L62-H151 WeakPolarHBondContact CD1-CD2 3.24Å; L62-H151 VanDerWaalsContact CD1-CG 3.49Å |
| 63 | S | 48.1 | Very low | 70.9 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | trans | -68.3 | 120.4 | -176 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 64 | M | 52.6 | Low | 70.7 | Confident | 49 Ų | 49 | 66.1 Ų | 66.1 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | trans | -87.8 | 109.6 | 168.3 | -64.4 | -176.8 | 66.8 | 0 | 0 | 109 | L62 P69 L152 | L62-M64 PolarHBondContact O-N 3.19Å; M64-P69 HydrophobicContact CE-CG 4.11Å; M64-P69 VanDerWaalsContact SD-CD 3.57Å; M64-P69 HydrophobicContact SD-CG 4.07Å; M64-L152 HydrophobicContact SD-CD1 4.35Å | ||
| 65 | D | 44.3 | Very low | 70.4 | Confident | 147 Ų | 147 | 63.2 Ų | 63.2 | 79% | 0.786 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -67.8 | 134.8 | -178.1 | -78.7 | -27.5 | 0 | 0 | 0 | 112.1 | G67 | D65-G67 PolarHBondContact O-N 3.24Š|
| 66 | A | 44.1 | Very low | 70.3 | Confident | 122 Ų | 122 | 63.9 Ų | 63.9 | 100% | 1.008 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 58.9 | -12.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 67 | G | 56.6 | Low | 70.3 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 25% | 0.247 | 35% | 0.351 | C | S | . | . | trans | -149.7 | 103.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D65 F138 | D65-G67 PolarHBondContact O-N 3.24Å; G67-F138 VanDerWaalsContact O-CZ 3.29Å; G67-F138 WeakPolarHBondContact O-CZ 3.35Å | ||
| 68 | D | 70.3 | Confident | 70.5 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | trans | -90 | 121.4 | 169.7 | 163.5 | 33.9 | 0 | 0 | 0 | 110.3 | V70 T71 E72 | D68-V70 PolarHBondContact O-N 2.92Å; D68-V70 WeakPolarHBondContact OD1-CB 3.45Å; D68-V70 WeakPolarHBondContact OD1-CG2 3.44Å; D68-V70 PolarHBondContact OD1-N 2.69Å; D68-T71 PolarHBondContact O-N 2.64Å; D68-T71 WeakPolarHBondContact OD2-CB 3.47Å; D68-T71 PolarHBondContact OD2-N 2.93Å; D68-T71 PolarHBondContact OD2-OG1 2.98Å; D68-E72 PolarHBondContact O-N 2.93Å | ||
| 69 | P | 75.9 | Confident | 70.8 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.6 | -27.3 | 177.6 | 27 | -35.7 | 0 | 0 | 0 | 113.4 | M64 F73 M90 L115 P119 W136 F138 | M64-P69 HydrophobicContact CE-CG 4.11Å; M64-P69 VanDerWaalsContact SD-CD 3.57Å; M64-P69 HydrophobicContact SD-CG 4.07Å; P69-F73 VanDerWaalsContact O-CB 3.24Å; P69-F73 WeakPolarHBondContact O-CB 3.42Å; P69-F73 PolarHBondContact O-N 3.11Å; P69-M90 HydrophobicContact CB-CE 4.33Å; P69-L115 HydrophobicContact CB-CD2 4.42Å; P69-L115 HydrophobicContact CG-CD2 3.81Å; P69-P119 HydrophobicContact CB-CB 3.76Å; P69-P119 HydrophobicContact CB-CG 3.99Å; P69-P119 HydrophobicContact CG-CB 4.35Å; P69-P119 HydrophobicContact CG-CG 4.11Å; P69-W136 HydrophobicContact CB-CH2 4.14Å; P69-F138 HydrophobicContact CB-CB 4.35Å; P69-F138 HydrophobicContact CB-CD1 4.49Å; P69-F138 HydrophobicContact CB-CD2 3.64Å; P69-F138 HydrophobicContact CB-CE2 4.01Å; P69-F138 HydrophobicContact CB-CG 3.91Å |
| 70 | V | 77.3 | Confident | 71.7 | Confident | 29 Ų | 29 | 67 Ų | 67 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.8 | -43.9 | 177 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | D68 A74 L87 P88 M90 L115 | D68-V70 PolarHBondContact O-N 2.92Å; D68-V70 WeakPolarHBondContact OD1-CB 3.45Å; D68-V70 WeakPolarHBondContact OD1-CG2 3.44Å; D68-V70 PolarHBondContact OD1-N 2.69Å; V70-A74 WeakPolarHBondContact O-CB 3.41Å; V70-A74 PolarHBondContact O-N 2.87Å; V70-L87 HydrophobicContact CG1-CB 3.81Å; V70-L87 HydrophobicContact CG1-CD1 4.2Å; V70-L87 HydrophobicContact CG1-CD2 4.28Å; V70-L87 HydrophobicContact CG1-CG 4.32Å; V70-P88 HydrophobicContact CG1-CG 4.05Å; V70-P88 WeakPolarHBondContact O-CG 3.04Å; V70-M90 HydrophobicContact CB-SD 4.13Å; V70-M90 HydrophobicContact CG1-SD 4.49Å; V70-M90 HydrophobicContact CG2-SD 3.72Å; V70-L115 HydrophobicContact CG2-CD2 4.4Å |
| 71 | T | 73.1 | Confident | 72.7 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 175.3 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | D68 A74 Q75 | D68-T71 PolarHBondContact O-N 2.64Å; D68-T71 WeakPolarHBondContact OD2-CB 3.47Å; D68-T71 PolarHBondContact OD2-N 2.93Å; D68-T71 PolarHBondContact OD2-OG1 2.98Å; T71-A74 WeakPolarHBondContact O-CB 3.22Å; T71-A74 PolarHBondContact O-N 3.37Å; T71-Q75 PolarHBondContact O-N 3.4Å |
| 72 | E | 81.9 | Confident | 73.7 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 174.3 | -169.7 | -168.9 | 114.2 | 0 | 0 | 110.5 | D68 A74 Q75 V76 W136 F138 S139 | D68-E72 PolarHBondContact O-N 2.93Å; E72-A74 VanDerWaalsContact C-N 3.31Å; E72-A74 PolarHBondContact O-N 2.99Å; E72-Q75 PolarHBondContact O-N 3.17Å; E72-V76 WeakPolarHBondContact O-CG2 3.5Å; E72-V76 PolarHBondContact O-N 2.91Å; E72-W136 HydrophobicContact CB-CZ2 4.39Å; E72-W136 PolarHBondContact OE1-NE1 2.88Å; E72-F138 HydrophobicContact CB-CD2 4.13Å; E72-F138 HydrophobicContact CB-CE2 4.2Å; E72-F138 HydrophobicContact CG-CD2 4.49Å; E72-F138 WeakPolarHBondContact OE1-CA 3.41Å; E72-F138 WeakPolarHBondContact OE2-CD2 3.1Å; E72-F138 VanDerWaalsContact OE2-CE2 3.26Å; E72-F138 WeakPolarHBondContact OE2-CE2 3.36Å; E72-S139 PolarHBondContact OE1-N 2.8Å; E72-S139 VanDerWaalsContact OE1-N 3.16Å; E72-S139 VanDerWaalsContact OE2-CB 3.23Å; E72-S139 WeakPolarHBondContact OE2-CB 3.43Å; E72-S139 PolarHBondContact OE2-N 3.19Å; E72-S139 PolarHBondContact OE2-OG 3.43Å |
| 73 | F | 88.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 178.2 | -169.3 | -134.9 | 0 | 0 | 0 | 111.9 | P69 Q75 V76 L77 P88 M90 Y111 A113 W136 | P69-F73 VanDerWaalsContact O-CB 3.24Å; P69-F73 WeakPolarHBondContact O-CB 3.42Å; P69-F73 PolarHBondContact O-N 3.11Å; F73-Q75 VanDerWaalsContact C-N 3.34Å; F73-Q75 PolarHBondContact O-N 3.45Å; F73-V76 PolarHBondContact O-N 2.63Å; F73-L77 HydrophobicContact CD1-CD1 3.71Å; F73-L77 HydrophobicContact CD2-CD1 4.15Å; F73-L77 HydrophobicContact CD2-CG 4.17Å; F73-L77 HydrophobicContact CE1-CD1 3.62Å; F73-L77 HydrophobicContact CE1-CG 4.44Å; F73-L77 HydrophobicContact CE2-CD1 4.08Å; F73-L77 HydrophobicContact CE2-CD2 4.01Å; F73-L77 HydrophobicContact CE2-CG 4.02Å; F73-L77 HydrophobicContact CG-CD1 3.97Å; F73-L77 HydrophobicContact CG-CG 4.45Å; F73-L77 HydrophobicContact CZ-CD1 3.82Å; F73-L77 HydrophobicContact CZ-CD2 3.99Å; F73-L77 HydrophobicContact CZ-CG 4.17Å; F73-L77 WeakPolarHBondContact O-CB 3.48Å; F73-L77 WeakPolarHBondContact O-CD1 3.5Å; F73-L77 WeakPolarHBondContact O-CG 3.29Å; F73-L77 PolarHBondContact O-N 3.28Å; F73-P88 HydrophobicContact CB-CG 4.31Å; F73-P88 HydrophobicContact CD1-CB 3.84Å; F73-P88 HydrophobicContact CD1-CG 3.83Å; F73-P88 HydrophobicContact CE1-CB 4.24Å; F73-P88 HydrophobicContact CG-CG 4.44Å; F73-M90 HydrophobicContact CD1-CG 4.13Å; F73-M90 HydrophobicContact CD1-SD 4.46Å; F73-Y111 AromaticContact CE1-CD2 3.62Å; F73-Y111 HydrophobicContact CE1-CD2 3.62Å; F73-Y111 HydrophobicContact CE1-CE2 4.16Å; F73-Y111 HydrophobicContact CE1-CG 4.3Å; F73-Y111 HydrophobicContact CZ-CD2 4Å; F73-Y111 HydrophobicContact CZ-CG 4.34Å; F73-A113 HydrophobicContact CD1-CB 3.71Å; F73-A113 HydrophobicContact CE1-CB 3.2Å; F73-A113 HydrophobicContact CE2-CB 4.44Å; F73-A113 HydrophobicContact CZ-CB 3.64Å; F73-W136 HydrophobicContact CB-CD2 4.29Å; F73-W136 HydrophobicContact CB-CE3 4.28Å; F73-W136 HydrophobicContact CB-CH2 3.89Å; F73-W136 HydrophobicContact CB-CZ2 3.87Å; F73-W136 HydrophobicContact CB-CZ3 4.1Å; F73-W136 HydrophobicContact CD2-CB 4.24Å; F73-W136 AromaticContact CD2-CD2 3.45Å; F73-W136 HydrophobicContact CD2-CD2 3.45Å; F73-W136 VanDerWaalsContact CD2-CD2 3.45Å; F73-W136 AromaticContact CD2-CE3 3.46Å; F73-W136 HydrophobicContact CD2-CE3 3.46Å; F73-W136 VanDerWaalsContact CD2-CE3 3.46Å; F73-W136 AromaticContact CD2-CG 3.8Å; F73-W136 HydrophobicContact CD2-CG 3.8Å; F73-W136 HydrophobicContact CD2-CZ3 4.08Å; F73-W136 HydrophobicContact CE2-CB 4.16Å; F73-W136 HydrophobicContact CE2-CD2 4.08Å; F73-W136 AromaticContact CE2-CE3 3.88Å; F73-W136 HydrophobicContact CE2-CE3 3.88Å; F73-W136 HydrophobicContact CE2-CG 4.21Å; F73-W136 HydrophobicContact CG-CD2 4.15Å; F73-W136 AromaticContact CG-CE3 3.92Å; F73-W136 HydrophobicContact CG-CE3 3.92Å; F73-W136 HydrophobicContact CG-CH2 4.35Å; F73-W136 HydrophobicContact CG-CZ3 4.05Å |
| 74 | A | 83.3 | Confident | 76.4 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V70 T71 E72 L77 E78 L87 P88 | V70-A74 WeakPolarHBondContact O-CB 3.41Å; V70-A74 PolarHBondContact O-N 2.87Å; T71-A74 WeakPolarHBondContact O-CB 3.22Å; T71-A74 PolarHBondContact O-N 3.37Å; E72-A74 VanDerWaalsContact C-N 3.31Å; E72-A74 PolarHBondContact O-N 2.99Å; A74-L77 PolarHBondContact O-N 3.16Å; A74-E78 PolarHBondContact O-N 3.12Å; A74-L87 HydrophobicContact CB-CD2 4.49Å; A74-P88 HydrophobicContact CB-CG 4.08Å |
| 75 | Q | 82.5 | Confident | 77.2 | Confident | 94 Ų | 94 | 58.9 Ų | 58.9 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.5 | -38.8 | 179.4 | -167.6 | 64.1 | 82.2 | 0 | 0 | 112 | T71 E72 F73 E78 N79 | T71-Q75 PolarHBondContact O-N 3.4Å; E72-Q75 PolarHBondContact O-N 3.17Å; F73-Q75 VanDerWaalsContact C-N 3.34Å; F73-Q75 PolarHBondContact O-N 3.45Å; Q75-E78 PolarHBondContact NE2-OE2 3.41Å; Q75-E78 PolarHBondContact O-N 3.42Å; Q75-N79 PolarHBondContact NE2-OD1 2.85Å; Q75-N79 VanDerWaalsContact O-CB 3.27Å; Q75-N79 WeakPolarHBondContact O-CB 3.43Å; Q75-N79 PolarHBondContact O-N 3.06Å; Q75-N79 PolarHBondContact O-ND2 2.98Å; Q75-N79 PolarHBondContact O-OD1 2.98Å |
| 76 | V | 89.2 | Confident | 78.4 | Confident | 33 Ų | 33 | 55 Ų | 55 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 175 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | E72 F73 N79 A80 Y123 W136 | E72-V76 WeakPolarHBondContact O-CG2 3.5Å; E72-V76 PolarHBondContact O-N 2.91Å; F73-V76 PolarHBondContact O-N 2.63Å; V76-N79 PolarHBondContact O-N 3.43Å; V76-A80 WeakPolarHBondContact O-CB 3.39Å; V76-A80 PolarHBondContact O-N 3.19Å; V76-Y123 HydrophobicContact CG1-CD1 4.13Å; V76-Y123 HydrophobicContact CG1-CE1 3.44Å; V76-Y123 VanDerWaalsContact CG1-CE1 3.44Å; V76-W136 HydrophobicContact CG1-CB 4.46Å; V76-W136 HydrophobicContact CG1-CG 4.37Å |
| 77 | L | 89.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 178.1 | -65.7 | 163.3 | 0 | 0 | 0 | 112.3 | F73 A74 A80 G81 L82 I84 P88 Y111 Y123 | F73-L77 HydrophobicContact CD1-CD1 3.71Å; F73-L77 HydrophobicContact CD2-CD1 4.15Å; F73-L77 HydrophobicContact CD2-CG 4.17Å; F73-L77 HydrophobicContact CE1-CD1 3.62Å; F73-L77 HydrophobicContact CE1-CG 4.44Å; F73-L77 HydrophobicContact CE2-CD1 4.08Å; F73-L77 HydrophobicContact CE2-CD2 4.01Å; F73-L77 HydrophobicContact CE2-CG 4.02Å; F73-L77 HydrophobicContact CG-CD1 3.97Å; F73-L77 HydrophobicContact CG-CG 4.45Å; F73-L77 HydrophobicContact CZ-CD1 3.82Å; F73-L77 HydrophobicContact CZ-CD2 3.99Å; F73-L77 HydrophobicContact CZ-CG 4.17Å; F73-L77 WeakPolarHBondContact O-CB 3.48Å; F73-L77 WeakPolarHBondContact O-CD1 3.5Å; F73-L77 WeakPolarHBondContact O-CG 3.29Å; F73-L77 PolarHBondContact O-N 3.28Å; A74-L77 PolarHBondContact O-N 3.16Å; L77-A80 CarbonylContact O-C 3.11Å; L77-A80 PolarHBondContact O-N 2.91Å; L77-G81 PolarHBondContact O-N 2.92Å; L77-L82 HydrophobicContact CB-CB 4.41Å; L77-L82 HydrophobicContact CD2-CD2 3.87Å; L77-L82 WeakPolarHBondContact O-CB 3.46Å; L77-L82 PolarHBondContact O-N 3.25Å; L77-I84 HydrophobicContact CB-CD1 3.65Å; L77-I84 HydrophobicContact CD1-CD1 3.37Å; L77-I84 HydrophobicContact CG-CD1 4.06Å; L77-P88 HydrophobicContact CD1-CB 3.73Å; L77-P88 HydrophobicContact CD1-CG 4.23Å; L77-Y111 HydrophobicContact CD1-CD1 4.1Å; L77-Y111 HydrophobicContact CD1-CD2 4.3Å; L77-Y111 HydrophobicContact CD1-CE1 4.42Å; L77-Y111 HydrophobicContact CD1-CG 4.03Å; L77-Y111 HydrophobicContact CD2-CD1 4.24Å; L77-Y111 HydrophobicContact CD2-CG 4.03Å; L77-Y123 HydrophobicContact CD2-CD1 4.13Å; L77-Y123 HydrophobicContact CD2-CG 3.93Å |
| 78 | E | 86 | Confident | 81.1 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 174.2 | 179.5 | 175.3 | -139.2 | 0 | 0 | 111.8 | A74 Q75 A80 G81 R100 | A74-E78 PolarHBondContact O-N 3.12Å; Q75-E78 PolarHBondContact NE2-OE2 3.41Å; Q75-E78 PolarHBondContact O-N 3.42Å; E78-A80 VanDerWaalsContact C-N 3.27Å; E78-A80 PolarHBondContact O-N 2.78Å; E78-G81 PolarHBondContact O-N 2.87Å; E78-R100 VanDerWaalsContact CG-NH2 3.33Å; E78-R100 VanDerWaalsContact O-CZ 3.31Å; E78-R100 PolarHBondContact O-NH1 2.9Å; E78-R100 PolarHBondContact O-NH2 2.95Å |
| 79 | N | 86.5 | Confident | 81.6 | Confident | 115 Ų | 115 | 56.1 Ų | 56.1 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62 | -37.3 | 176 | -71.1 | -10.5 | 0 | 0 | 0 | 111.2 | Q75 V76 G81 | Q75-N79 PolarHBondContact NE2-OD1 2.85Å; Q75-N79 VanDerWaalsContact O-CB 3.27Å; Q75-N79 WeakPolarHBondContact O-CB 3.43Å; Q75-N79 PolarHBondContact O-N 3.06Å; Q75-N79 PolarHBondContact O-ND2 2.98Å; Q75-N79 PolarHBondContact O-OD1 2.98Å; V76-N79 PolarHBondContact O-N 3.43Å; N79-G81 PolarHBondContact O-N 2.95Å |
| 80 | A | 85.4 | Confident | 81.7 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -0.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V76 L77 E78 L82 Y123 | V76-A80 WeakPolarHBondContact O-CB 3.39Å; V76-A80 PolarHBondContact O-N 3.19Å; L77-A80 CarbonylContact O-C 3.11Å; L77-A80 PolarHBondContact O-N 2.91Å; E78-A80 VanDerWaalsContact C-N 3.27Å; E78-A80 PolarHBondContact O-N 2.78Å; A80-L82 HydrophobicContact CB-CD1 4.14Å; A80-Y123 HydrophobicContact CB-CD2 3.68Å; A80-Y123 HydrophobicContact CB-CE2 3.21Å |
| 81 | G | 84.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 12.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L77 E78 N79 T99 R100 | L77-G81 PolarHBondContact O-N 2.92Å; E78-G81 PolarHBondContact O-N 2.87Å; N79-G81 PolarHBondContact O-N 2.95Å; G81-T99 CarbonylContact O-C 3.47Å; G81-T99 WeakPolarHBondContact O-CA 3.46Å; G81-R100 PolarHBondContact O-N 2.88Å |
| 82 | L | 87.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 136.8 | 170.9 | -80.2 | 65.7 | 0 | 0 | 0 | 109.6 | L77 A80 V97 T99 | L77-L82 HydrophobicContact CB-CB 4.41Å; L77-L82 HydrophobicContact CD2-CD2 3.87Å; L77-L82 WeakPolarHBondContact O-CB 3.46Å; L77-L82 PolarHBondContact O-N 3.25Å; A80-L82 HydrophobicContact CB-CD1 4.14Å; L82-V97 HydrophobicContact CB-CG2 3.98Å; L82-V97 HydrophobicContact CD2-CG2 3.77Å; L82-V97 HydrophobicContact CG-CG2 3.92Å; L82-T99 HydrophobicContact CD1-CG2 3.9Å; L82-T99 HydrophobicContact CG-CG2 3.9Å |
| 83 | V | 84.8 | Confident | 81.5 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 105.3 | -173.8 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | A98 R100 | V83-A98 HydrophobicContact CB-CB 4.42Å; V83-A98 PolarHBondContact N-O 2.84Å; V83-R100 HydrophobicContact CG2-CG 4.04Å |
| 84 | I | 80.4 | Confident | 81.4 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | trans | -109.9 | 142.7 | -174.1 | -50.1 | -174.1 | 0 | 0 | 0 | 109.8 | L77 G86 P88 V97 Y111 | L77-I84 HydrophobicContact CB-CD1 3.65Å; L77-I84 HydrophobicContact CD1-CD1 3.37Å; L77-I84 HydrophobicContact CG-CD1 4.06Å; I84-G86 WeakPolarHBondContact CG2-O 3.03Å; I84-P88 HydrophobicContact CD1-CB 4.41Å; I84-V97 HydrophobicContact CG1-CG1 4.34Å; I84-Y111 HydrophobicContact CD1-CD1 4.06Å; I84-Y111 HydrophobicContact CD1-CE1 3.67Å; I84-Y111 HydrophobicContact CG1-CE1 4.35Å | ||
| 85 | Q | 70 | Confident | 81.6 | Confident | 201 Ų | 201 | 56.7 Ų | 56.7 | 94% | 0.939 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -101.4 | 94.7 | 174.5 | -69 | -176.2 | -15.2 | 0 | 0 | 109.1 | ||
| 86 | G | 68 | Low | 81.9 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 91.8 | -161.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I84 | I84-G86 WeakPolarHBondContact CG2-O 3.03Š|
| 87 | L | 75.4 | Confident | 81.9 | Confident | 108 Ų | 108 | 54.1 Ų | 54.1 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -74.6 | 149.3 | 179.7 | -68.1 | 175.3 | 0 | 0 | 0 | 112.1 | V70 A74 | V70-L87 HydrophobicContact CG1-CB 3.81Å; V70-L87 HydrophobicContact CG1-CD1 4.2Å; V70-L87 HydrophobicContact CG1-CD2 4.28Å; V70-L87 HydrophobicContact CG1-CG 4.32Å; A74-L87 HydrophobicContact CB-CD2 4.49Å |
| 88 | P | 81.7 | Confident | 81.8 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.045 | 32% | 0.315 | C | S | . | . | trans | -69 | 146.8 | 177.7 | 29.3 | -36.2 | 0 | 0 | 0 | 112.4 | V70 F73 A74 L77 I84 M90 Y111 | V70-P88 HydrophobicContact CG1-CG 4.05Å; V70-P88 WeakPolarHBondContact O-CG 3.04Å; F73-P88 HydrophobicContact CB-CG 4.31Å; F73-P88 HydrophobicContact CD1-CB 3.84Å; F73-P88 HydrophobicContact CD1-CG 3.83Å; F73-P88 HydrophobicContact CE1-CB 4.24Å; F73-P88 HydrophobicContact CG-CG 4.44Å; A74-P88 HydrophobicContact CB-CG 4.08Å; L77-P88 HydrophobicContact CD1-CB 3.73Å; L77-P88 HydrophobicContact CD1-CG 4.23Å; I84-P88 HydrophobicContact CD1-CB 4.41Å; P88-M90 PolarHBondContact O-N 2.94Å; P88-Y111 WeakPolarHBondContact CA-OH 3.4Å; P88-Y111 HydrophobicContact CB-CE2 3.88Å | ||
| 89 | Q | 82.1 | Confident | 81.8 | Confident | 112 Ų | 112 | 51.1 Ų | 51.1 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | trans | -90.7 | 106.4 | 179.1 | -67.2 | -177.5 | 16.7 | 0 | 0 | 110 | D91 H95 Y111 | Q89-D91 VanDerWaalsContact C-N 3.28Å; Q89-D91 PolarHBondContact O-N 3.25Å; Q89-H95 WeakPolarHBondContact CB-NE2 3.5Å; Q89-H95 PolarHBondContact O-CD2 3.31Å; Q89-H95 PolarHBondContact O-NE2 2.8Å; Q89-H95 PolarHBondContact OE1-CE1 3.01Å; Q89-Y111 PolarHBondContact N-OH 3.42Å | ||
| 90 | M | 78.1 | Confident | 81.7 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | trans | -94.3 | 46.3 | -179 | -55.4 | -179.3 | 68.1 | 0 | 0 | 111.7 | P69 V70 F73 P88 A113 Y114 L115 P119 W136 | P69-M90 HydrophobicContact CB-CE 4.33Å; V70-M90 HydrophobicContact CB-SD 4.13Å; V70-M90 HydrophobicContact CG1-SD 4.49Å; V70-M90 HydrophobicContact CG2-SD 3.72Å; F73-M90 HydrophobicContact CD1-CG 4.13Å; F73-M90 HydrophobicContact CD1-SD 4.46Å; P88-M90 PolarHBondContact O-N 2.94Å; M90-A113 CarbonylContact C-O 3.59Å; M90-A113 WeakPolarHBondContact CA-O 3.33Å; M90-A113 HydrophobicContact CB-CB 4.16Å; M90-A113 HydrophobicContact CE-CB 3.96Å; M90-A113 HydrophobicContact CG-CB 3.91Å; M90-Y114 WeakPolarHBondContact CE-O 3.27Å; M90-L115 HydrophobicContact CB-CD1 3.88Å; M90-L115 HydrophobicContact CB-CD2 4.43Å; M90-L115 HydrophobicContact CB-CG 3.67Å; M90-L115 HydrophobicContact CE-CD2 3.78Å; M90-L115 HydrophobicContact CE-CG 4.06Å; M90-L115 HydrophobicContact CG-CG 4.49Å; M90-L115 HydrophobicContact SD-CD2 3.77Å; M90-L115 HydrophobicContact SD-CG 4.08Å; M90-P119 HydrophobicContact CE-CB 4.06Å; M90-W136 HydrophobicContact CE-CH2 3.62Å; M90-W136 HydrophobicContact CE-CZ3 3.54Å | ||
| 91 | D | 76.3 | Confident | 81.4 | Confident | 37 Ų | 37 | 57 Ų | 57 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -92.8 | 7.7 | -174.5 | 70.2 | -22 | 0 | 0 | 0 | 113.8 | Q89 A93 H95 N163 | Q89-D91 VanDerWaalsContact C-N 3.28Å; Q89-D91 PolarHBondContact O-N 3.25Å; D91-A93 PolarHBondContact O-N 3.46Å; D91-A93 VanDerWaalsContact OD1-CB 3.28Å; D91-A93 WeakPolarHBondContact OD1-CB 3.4Å; D91-A93 PolarHBondContact OD1-N 3.19Å; D91-A93 WeakPolarHBondContact OD2-CB 3.43Å; D91-H95 IonicContact OD1-CD2 3.21Å; D91-H95 IonicContact OD1-CE1 3.57Å; D91-H95 IonicContact OD1-NE2 3.72Å; D91-H95 PolarHBondContact OD1-NE2 2.8Å; D91-H95 IonicContact OD2-CE1 3.56Å; D91-H95 IonicContact OD2-NE2 3.48Å; D91-N163 PolarHBondContact O-ND2 2.82Å |
| 92 | G | 74.8 | Confident | 81.2 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 12% | 0.124 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 72 | 5.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R112 A113 | G92-R112 VanDerWaalsContact O-CZ 3.27Å; G92-R112 PolarHBondContact O-NE 3.36Å; G92-R112 PolarHBondContact O-NH2 3.37Å; G92-A113 WeakPolarHBondContact CA-O 3.4Å; G92-A113 PolarHBondContact N-O 2.93Å |
| 93 | A | 77.4 | Confident | 80.8 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -94.4 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | D91 R112 | D91-A93 PolarHBondContact O-N 3.46Å; D91-A93 VanDerWaalsContact OD1-CB 3.28Å; D91-A93 WeakPolarHBondContact OD1-CB 3.4Å; D91-A93 PolarHBondContact OD1-N 3.19Å; D91-A93 WeakPolarHBondContact OD2-CB 3.43Å; A93-R112 WeakPolarHBondContact O-CG 3.48Å |
| 94 | I | 85 | Confident | 80.4 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 29% | 0.292 | 37% | 0.373 | S | S | . | . | trans | -108 | 119.9 | -177.8 | -70.5 | 171 | 0 | 0 | 0 | 110.9 | A110 Y111 R112 W122 A1346 | I94-A110 HydrophobicContact CG2-CB 4.1Å; I94-Y111 WeakPolarHBondContact CA-O 3.29Å; I94-R112 HydrophobicContact CG1-CB 4.02Å; I94-R112 HydrophobicContact CG1-CG 4.18Å; I94-W122 HydrophobicContact CD1-CH2 3.92Å; I94-W122 HydrophobicContact CD1-CZ2 3.69Å; I94-W122 HydrophobicContact CG1-CH2 4.17Å; I94-W122 HydrophobicContact CG1-CZ2 4.02Å; I94-W122 HydrophobicContact CG2-CH2 4.45Å; I94-A1346 HydrophobicContact CD1-CB 3.1Å | ||
| 95 | H | 87 | Confident | 80 | Confident | 34 Ų | 34 | 75 Ų | 75 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 107.9 | -172.8 | -66.4 | -72.7 | 0 | 0 | 0 | 110.3 | Q89 D91 A110 Y111 | Q89-H95 WeakPolarHBondContact CB-NE2 3.5Å; Q89-H95 PolarHBondContact O-CD2 3.31Å; Q89-H95 PolarHBondContact O-NE2 2.8Å; Q89-H95 PolarHBondContact OE1-CE1 3.01Å; D91-H95 IonicContact OD1-CD2 3.21Å; D91-H95 IonicContact OD1-CE1 3.57Å; D91-H95 IonicContact OD1-NE2 3.72Å; D91-H95 PolarHBondContact OD1-NE2 2.8Å; D91-H95 IonicContact OD2-CE1 3.56Å; D91-H95 IonicContact OD2-NE2 3.48Å; H95-A110 WeakPolarHBondContact O-CA 3.32Å; H95-Y111 HydrophobicContact CB-CD1 4.04Å; H95-Y111 HydrophobicContact CB-CD2 4.15Å; H95-Y111 HydrophobicContact CB-CE1 3.56Å; H95-Y111 HydrophobicContact CB-CE2 3.68Å; H95-Y111 HydrophobicContact CB-CG 4.32Å; H95-Y111 AromaticContact CD2-CE2 3.66Å; H95-Y111 AromaticContact CG-CE2 3.89Å; H95-Y111 AromaticContact CG-CZ 3.82Å; H95-Y111 PolarHBondContact N-O 2.89Å; H95-Y111 PolarHBondContact O-N 3.2Å; H95-Y111 VanDerWaalsContact O-N 3.17Å |
| 96 | R | 89.1 | Confident | 80.4 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 21% | 0.211 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 119.4 | 176.5 | -76 | -76.9 | -177.6 | 172.7 | -3.5 | 110.6 | K107 G109 Y126 | R96-K107 HydrophobicContact CB-CB 4.26Å; R96-K107 HydrophobicContact CB-CD 4.27Å; R96-K107 WeakPolarHBondContact O-CD 3.46Å; R96-K107 WeakPolarHBondContact O-CE 3.4Å; R96-K107 PolarHBondContact O-NZ 3.47Å; R96-G109 WeakPolarHBondContact CA-O 3.34Å; R96-Y126 VanDerWaalsContact NH1-CE2 3.33Å; R96-Y126 PolarHBondContact NH2-OH 2.98Å |
| 97 | V | 88.8 | Confident | 81.3 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 159.2 | -175.4 | -66 | 0 | 0 | 0 | 0 | 111.2 | L82 I84 K107 S108 G109 Y111 | L82-V97 HydrophobicContact CB-CG2 3.98Å; L82-V97 HydrophobicContact CD2-CG2 3.77Å; L82-V97 HydrophobicContact CG-CG2 3.92Å; I84-V97 HydrophobicContact CG1-CG1 4.34Å; V97-K107 CarbonylContact O-C 3.56Å; V97-K107 WeakPolarHBondContact O-CA 3.38Å; V97-S108 PolarHBondContact O-N 3.21Å; V97-G109 PolarHBondContact N-O 3.06Å; V97-G109 WeakPolarHBondContact O-CA 3.49Å; V97-G109 PolarHBondContact O-N 3.27Å; V97-G109 VanDerWaalsContact O-O 3.12Å; V97-Y111 HydrophobicContact CG1-CD1 4.24Å; V97-Y111 HydrophobicContact CG1-CE1 3.79Å; V97-Y111 HydrophobicContact CG2-CD1 4.27Å |
| 98 | A | 88.4 | Confident | 81.8 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 156 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | V83 D102 | V83-A98 HydrophobicContact CB-CB 4.42Å; V83-A98 PolarHBondContact N-O 2.84Å; A98-D102 WeakPolarHBondContact CA-OD2 3.32Å; A98-D102 HydrophobicContact CB-CB 4.4Å |
| 99 | T | 86.2 | Confident | 82 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 164.3 | 168.6 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | G81 L82 D101 D102 D125 R127 | G81-T99 CarbonylContact O-C 3.47Å; G81-T99 WeakPolarHBondContact O-CA 3.46Å; L82-T99 HydrophobicContact CD1-CG2 3.9Å; L82-T99 HydrophobicContact CG-CG2 3.9Å; T99-D101 PolarHBondContact O-N 3.04Å; T99-D101 VanDerWaalsContact O-N 3.08Å; T99-D102 PolarHBondContact N-OD2 2.77Å; T99-D102 VanDerWaalsContact N-OD2 3.09Å; T99-D102 WeakPolarHBondContact O-CB 3.46Å; T99-D102 PolarHBondContact O-N 3.46Å; T99-D102 PolarHBondContact OG1-OD2 2.99Å; T99-D125 WeakPolarHBondContact CB-OD2 3.49Å; T99-D125 HydrophobicContact CG2-CB 4.2Å; T99-D125 WeakPolarHBondContact CG2-OD2 3.29Å; T99-D125 PolarHBondContact OG1-OD2 2.86Å; T99-D125 VanDerWaalsContact OG1-OD2 3.09Å; T99-R127 PolarHBondContact OG1-NE 3Å; T99-R127 PolarHBondContact OG1-NH1 2.96Å; T99-R127 PolarHBondContact OG1-NH2 3.08Å |
| 100 | R | 84.1 | Confident | 82.5 | Confident | 150 Ų | 150 | 60.7 Ų | 60.7 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -31.1 | -168.7 | -77.9 | 176.6 | 177.7 | 156.2 | 2 | 114.5 | E78 G81 V83 | E78-R100 VanDerWaalsContact CG-NH2 3.33Å; E78-R100 VanDerWaalsContact O-CZ 3.31Å; E78-R100 PolarHBondContact O-NH1 2.9Å; E78-R100 PolarHBondContact O-NH2 2.95Å; G81-R100 PolarHBondContact O-N 2.88Å; V83-R100 HydrophobicContact CG2-CG 4.04Å |
| 101 | D | 79.4 | Confident | 83.2 | Confident | 127 Ų | 127 | 60.3 Ų | 60.3 | 68% | 0.679 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 4.9 | -179.6 | -21.7 | -93.5 | 0 | 0 | 0 | 113.3 | T99 K103 R127 | T99-D101 PolarHBondContact O-N 3.04Å; T99-D101 VanDerWaalsContact O-N 3.08Å; D101-K103 PolarHBondContact O-N 3.43Å; D101-R127 PolarHBondContact O-NH1 3.25Å; D101-R127 IonicContact OD2-CZ 3.59Å; D101-R127 IonicContact OD2-NH1 2.71Å; D101-R127 IonicContact OD2-NH2 3.74Å; D101-R127 PolarHBondContact OD2-NH2 3.45Å |
| 102 | D | 80.6 | Confident | 83.9 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | trans | -68.2 | 131.6 | -175.8 | -96.3 | -15.5 | 0 | 0 | 0 | 112.5 | A98 T99 K104 A106 S108 R127 | A98-D102 WeakPolarHBondContact CA-OD2 3.32Å; A98-D102 HydrophobicContact CB-CB 4.4Å; T99-D102 PolarHBondContact N-OD2 2.77Å; T99-D102 VanDerWaalsContact N-OD2 3.09Å; T99-D102 WeakPolarHBondContact O-CB 3.46Å; T99-D102 PolarHBondContact O-N 3.46Å; T99-D102 PolarHBondContact OG1-OD2 2.99Å; D102-K104 PolarHBondContact O-N 3.38Å; D102-A106 HydrophobicContact CB-CB 3.94Å; D102-S108 VanDerWaalsContact CG-OG 3.3Å; D102-S108 VanDerWaalsContact OD1-CB 3.26Å; D102-S108 WeakPolarHBondContact OD1-CB 3.45Å; D102-S108 PolarHBondContact OD1-OG 3.39Å; D102-S108 WeakPolarHBondContact OD2-CB 3.38Å; D102-S108 PolarHBondContact OD2-N 2.93Å; D102-S108 PolarHBondContact OD2-OG 3.3Å; D102-R127 VanDerWaalsContact N-NH1 3.18Å; D102-R127 IonicContact OD1-CZ 3.42Å; D102-R127 IonicContact OD1-NE 3.15Å; D102-R127 IonicContact OD1-NH1 2.79Å; D102-R127 PolarHBondContact OD1-NH1 3.23Å | ||
| 103 | K | 79.1 | Confident | 84.5 | Confident | 182 Ų | 182 | 59 Ų | 59 | 79% | 0.791 | 31% | 0.306 | S | S | * | . | trans | -60.4 | 134.2 | 168.7 | -66.4 | 178.2 | -179 | 175.6 | 0 | 108.8 | D101 G105 A106 | D101-K103 PolarHBondContact O-N 3.43Å; K103-G105 PolarHBondContact O-N 3.41Å; K103-A106 WeakPolarHBondContact O-CB 3.38Å; K103-A106 PolarHBondContact O-N 3.02Å | ||
| 104 | K | 75.6 | Confident | 84.7 | Confident | 222 Ų | 222 | 59.8 Ų | 59.8 | 97% | 0.965 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.9 | 107.3 | -175.1 | -176.4 | -179.9 | 179.1 | 180 | 0 | 112.5 | D102 | D102-K104 PolarHBondContact O-N 3.38Š|
| 105 | G | 72.8 | Confident | 84.2 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.8 | -11.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K103 | K103-G105 PolarHBondContact O-N 3.41Š|
| 106 | A | 79.3 | Confident | 83.2 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | trans | -70.5 | 159.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D102 K103 | D102-A106 HydrophobicContact CB-CB 3.94Å; K103-A106 WeakPolarHBondContact O-CB 3.38Å; K103-A106 PolarHBondContact O-N 3.02Å | ||
| 107 | K | 86.5 | Confident | 82.2 | Confident | 130 Ų | 130 | 58.7 Ų | 58.7 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | trans | -143.1 | 62.9 | -179.7 | -73.6 | -173.2 | 158.1 | -140.6 | 0 | 110 | R96 V97 G109 | R96-K107 HydrophobicContact CB-CB 4.26Å; R96-K107 HydrophobicContact CB-CD 4.27Å; R96-K107 WeakPolarHBondContact O-CD 3.46Å; R96-K107 WeakPolarHBondContact O-CE 3.4Å; R96-K107 PolarHBondContact O-NZ 3.47Å; V97-K107 CarbonylContact O-C 3.56Å; V97-K107 WeakPolarHBondContact O-CA 3.38Å; K107-G109 VanDerWaalsContact C-N 3.35Å | ||
| 108 | S | 84.6 | Confident | 81.5 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | trans | -79.2 | -19.9 | -172.1 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | V97 D102 Y126 R127 | V97-S108 PolarHBondContact O-N 3.21Å; D102-S108 VanDerWaalsContact CG-OG 3.3Å; D102-S108 VanDerWaalsContact OD1-CB 3.26Å; D102-S108 WeakPolarHBondContact OD1-CB 3.45Å; D102-S108 PolarHBondContact OD1-OG 3.39Å; D102-S108 WeakPolarHBondContact OD2-CB 3.38Å; D102-S108 PolarHBondContact OD2-N 2.93Å; D102-S108 PolarHBondContact OD2-OG 3.3Å; S108-Y126 WeakPolarHBondContact O-CD2 3.32Å; S108-Y126 PolarHBondContact O-N 2.92Å; S108-R127 VanDerWaalsContact CB-CD 3.45Å; S108-R127 WeakPolarHBondContact OG-CD 3.33Å | ||
| 109 | G | 87.3 | Confident | 81 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 147.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R96 V97 K107 R124 | R96-G109 WeakPolarHBondContact CA-O 3.34Å; V97-G109 PolarHBondContact N-O 3.06Å; V97-G109 WeakPolarHBondContact O-CA 3.49Å; V97-G109 PolarHBondContact O-N 3.27Å; V97-G109 VanDerWaalsContact O-O 3.12Å; K107-G109 VanDerWaalsContact C-N 3.35Å; G109-R124 CarbonylContact C-O 3.56Å; G109-R124 WeakPolarHBondContact CA-O 3.41Å |
| 110 | A | 91.9 | Very high | 81 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I94 H95 W122 Y123 R124 Y126 | I94-A110 HydrophobicContact CG2-CB 4.1Å; H95-A110 WeakPolarHBondContact O-CA 3.32Å; A110-W122 HydrophobicContact CB-CZ3 4.35Å; A110-Y123 CarbonylContact O-C 3.58Å; A110-Y123 VanDerWaalsContact O-CA 3.31Å; A110-Y123 WeakPolarHBondContact O-CA 3.27Å; A110-R124 PolarHBondContact N-O 2.88Å; A110-R124 PolarHBondContact O-N 3.03Å; A110-Y126 HydrophobicContact CB-CE2 3.78Å |
| 111 | Y | 92.7 | Very high | 81.3 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 162.3 | 168.2 | 70.9 | -98.8 | 0 | 0 | 0 | 111.7 | F73 L77 I84 P88 Q89 I94 H95 V97 W122 | F73-Y111 AromaticContact CE1-CD2 3.62Å; F73-Y111 HydrophobicContact CE1-CD2 3.62Å; F73-Y111 HydrophobicContact CE1-CE2 4.16Å; F73-Y111 HydrophobicContact CE1-CG 4.3Å; F73-Y111 HydrophobicContact CZ-CD2 4Å; F73-Y111 HydrophobicContact CZ-CG 4.34Å; L77-Y111 HydrophobicContact CD1-CD1 4.1Å; L77-Y111 HydrophobicContact CD1-CD2 4.3Å; L77-Y111 HydrophobicContact CD1-CE1 4.42Å; L77-Y111 HydrophobicContact CD1-CG 4.03Å; L77-Y111 HydrophobicContact CD2-CD1 4.24Å; L77-Y111 HydrophobicContact CD2-CG 4.03Å; I84-Y111 HydrophobicContact CD1-CD1 4.06Å; I84-Y111 HydrophobicContact CD1-CE1 3.67Å; I84-Y111 HydrophobicContact CG1-CE1 4.35Å; P88-Y111 WeakPolarHBondContact CA-OH 3.4Å; P88-Y111 HydrophobicContact CB-CE2 3.88Å; Q89-Y111 PolarHBondContact N-OH 3.42Å; I94-Y111 WeakPolarHBondContact CA-O 3.29Å; H95-Y111 HydrophobicContact CB-CD1 4.04Å; H95-Y111 HydrophobicContact CB-CD2 4.15Å; H95-Y111 HydrophobicContact CB-CE1 3.56Å; H95-Y111 HydrophobicContact CB-CE2 3.68Å; H95-Y111 HydrophobicContact CB-CG 4.32Å; H95-Y111 AromaticContact CD2-CE2 3.66Å; H95-Y111 AromaticContact CG-CE2 3.89Å; H95-Y111 AromaticContact CG-CZ 3.82Å; H95-Y111 PolarHBondContact N-O 2.89Å; H95-Y111 PolarHBondContact O-N 3.2Å; H95-Y111 VanDerWaalsContact O-N 3.17Å; V97-Y111 HydrophobicContact CG1-CD1 4.24Å; V97-Y111 HydrophobicContact CG1-CE1 3.79Å; V97-Y111 HydrophobicContact CG2-CD1 4.27Å; Y111-W122 CarbonylContact C-O 3.57Å; Y111-W122 VanDerWaalsContact CA-O 3.31Å; Y111-W122 WeakPolarHBondContact CA-O 3.47Å |
| 112 | R | 91 | Very high | 81.9 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 134.3 | 173.5 | -174.7 | 173.8 | -157 | -166.7 | 1.1 | 108.7 | G92 A93 I94 Y114 G121 W122 T1342 | G92-R112 VanDerWaalsContact O-CZ 3.27Å; G92-R112 PolarHBondContact O-NE 3.36Å; G92-R112 PolarHBondContact O-NH2 3.37Å; A93-R112 WeakPolarHBondContact O-CG 3.48Å; I94-R112 HydrophobicContact CG1-CB 4.02Å; I94-R112 HydrophobicContact CG1-CG 4.18Å; R112-Y114 HydrophobicContact CG-CE2 4.4Å; R112-Y114 PolarHBondContact NE-OH 3.4Å; R112-Y114 PolarHBondContact NH1-OH 3.47Å; R112-Y114 VanDerWaalsContact NH1-OH 3.16Å; R112-Y114 PolarHBondContact NH2-OH 2.93Å; R112-G121 CarbonylContact O-C 3.57Å; R112-G121 WeakPolarHBondContact O-CA 3.48Å; R112-W122 HydrophobicContact CB-CD2 4.05Å; R112-W122 HydrophobicContact CB-CG 4.43Å; R112-W122 HydrophobicContact CB-CH2 4.47Å; R112-W122 HydrophobicContact CB-CZ2 3.85Å; R112-W122 PolarHBondContact N-O 3.46Å; R112-W122 PolarHBondContact O-N 2.8Å; R112-T1342 VanDerWaalsContact NH2-CG2 3.29Å |
| 113 | A | 86.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 163.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F73 M90 G92 A120 W136 | F73-A113 HydrophobicContact CD1-CB 3.71Å; F73-A113 HydrophobicContact CE1-CB 3.2Å; F73-A113 HydrophobicContact CE2-CB 4.44Å; F73-A113 HydrophobicContact CZ-CB 3.64Å; M90-A113 CarbonylContact C-O 3.59Å; M90-A113 WeakPolarHBondContact CA-O 3.33Å; M90-A113 HydrophobicContact CB-CB 4.16Å; M90-A113 HydrophobicContact CE-CB 3.96Å; M90-A113 HydrophobicContact CG-CB 3.91Å; G92-A113 WeakPolarHBondContact CA-O 3.4Å; G92-A113 PolarHBondContact N-O 2.93Å; A113-A120 CarbonylContact C-O 3.58Å; A113-A120 VanDerWaalsContact CA-O 3.3Å; A113-A120 WeakPolarHBondContact CA-O 3.38Å; A113-A120 WeakPolarHBondContact CB-O 3.41Å; A113-W136 HydrophobicContact CB-CZ3 4.4Å |
| 114 | Y | 82.4 | Confident | 83 | Confident | 48 Ų | 48 | 46.1 Ų | 46.1 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.3 | -173.8 | -52.2 | -88.1 | 0 | 0 | 0 | 109.6 | M90 R112 P119 A120 | M90-Y114 WeakPolarHBondContact CE-O 3.27Å; R112-Y114 HydrophobicContact CG-CE2 4.4Å; R112-Y114 PolarHBondContact NE-OH 3.4Å; R112-Y114 PolarHBondContact NH1-OH 3.47Å; R112-Y114 VanDerWaalsContact NH1-OH 3.16Å; R112-Y114 PolarHBondContact NH2-OH 2.93Å; Y114-P119 WeakPolarHBondContact O-CA 3.28Å; Y114-A120 PolarHBondContact N-O 3.35Å; Y114-A120 PolarHBondContact O-N 3.01Å |
| 115 | L | 74.1 | Confident | 83.4 | Confident | 23 Ų | 23 | 36.6 Ų | 36.6 | 12% | 0.12 | 21% | 0.212 | C | C | . | . | trans | -106.6 | 0.5 | -179.6 | -83.8 | 168.5 | 0 | 0 | 0 | 114.1 | P69 V70 M90 P119 L152 | P69-L115 HydrophobicContact CB-CD2 4.42Å; P69-L115 HydrophobicContact CG-CD2 3.81Å; V70-L115 HydrophobicContact CG2-CD2 4.4Å; M90-L115 HydrophobicContact CB-CD1 3.88Å; M90-L115 HydrophobicContact CB-CD2 4.43Å; M90-L115 HydrophobicContact CB-CG 3.67Å; M90-L115 HydrophobicContact CE-CD2 3.78Å; M90-L115 HydrophobicContact CE-CG 4.06Å; M90-L115 HydrophobicContact CG-CG 4.49Å; M90-L115 HydrophobicContact SD-CD2 3.77Å; M90-L115 HydrophobicContact SD-CG 4.08Å; L115-P119 HydrophobicContact CD2-CB 4.44Å; L115-P119 HydrophobicContact CD2-CG 4.43Å; L115-L152 HydrophobicContact CB-CD2 4.15Å; L115-L152 HydrophobicContact CD1-CD2 4.36Å; L115-L152 HydrophobicContact CD2-CD2 4.22Å; L115-L152 HydrophobicContact CG-CD2 4.47Å | ||
| 116 | D | 66.8 | Low | 83.7 | Confident | 42 Ų | 42 | 36.3 Ų | 36.3 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -94.3 | 156.4 | 179.3 | 60.5 | -56.1 | 0 | 0 | 0 | 113.9 | R118 A156 R160 | D116-R118 PolarHBondContact O-N 3.09Å; D116-A156 HydrophobicContact CB-CB 3.74Å; D116-R160 IonicContact OD1-CZ 2.94Å; D116-R160 IonicContact OD1-NH1 3.64Å; D116-R160 IonicContact OD1-NH2 3.76Å; D116-R160 PolarHBondContact OD1-NH2 3.48Å; D116-R160 IonicContact OD2-CZ 3.98Å; D116-R160 IonicContact OD2-NH1 2.67Å; D116-R160 PolarHBondContact OD2-NH1 2.86Å; D116-R160 IonicContact OD2-NH2 3.26Å; D116-R160 PolarHBondContact OD2-NH2 2.77Å |
| 117 | G | 67.6 | Low | 83.3 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 61% | 0.608 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 63.4 | -119.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 118 | R | 74.1 | Confident | 82.1 | Confident | 145 Ų | 145 | 35.9 Ų | 35.9 | 55% | 0.547 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -97.1 | 116.2 | 164 | -178.1 | 175.3 | -179.4 | -179.1 | -2.7 | 107.7 | D116 A120 V137 F138 | D116-R118 PolarHBondContact O-N 3.09Å; R118-A120 PolarHBondContact O-N 3.27Å; R118-V137 HydrophobicContact CG-CG1 3.96Å; R118-F138 PolarHBondContact NE-O 2.99Å; R118-F138 PolarHBondContact NH2-O 3.45Å |
| 119 | P | 78.5 | Confident | 80.6 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | trans | -53.8 | 132.3 | -176 | -27.9 | 35 | 0 | 0 | 0 | 112.4 | P69 M90 Y114 L115 W136 F138 | P69-P119 HydrophobicContact CB-CB 3.76Å; P69-P119 HydrophobicContact CB-CG 3.99Å; P69-P119 HydrophobicContact CG-CB 4.35Å; P69-P119 HydrophobicContact CG-CG 4.11Å; M90-P119 HydrophobicContact CE-CB 4.06Å; Y114-P119 WeakPolarHBondContact O-CA 3.28Å; L115-P119 HydrophobicContact CD2-CB 4.44Å; L115-P119 HydrophobicContact CD2-CG 4.43Å; P119-W136 HydrophobicContact CB-CH2 4.16Å; P119-F138 HydrophobicContact CB-CB 4.05Å; P119-F138 VanDerWaalsContact O-CB 3.28Å; P119-F138 WeakPolarHBondContact O-CB 3.44Å; P119-F138 PolarHBondContact O-N 2.92Å | ||
| 120 | A | 86.4 | Confident | 79.2 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 167 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A113 Y114 R118 W136 V137 | A113-A120 CarbonylContact C-O 3.58Å; A113-A120 VanDerWaalsContact CA-O 3.3Å; A113-A120 WeakPolarHBondContact CA-O 3.38Å; A113-A120 WeakPolarHBondContact CB-O 3.41Å; Y114-A120 PolarHBondContact N-O 3.35Å; Y114-A120 PolarHBondContact O-N 3.01Å; R118-A120 PolarHBondContact O-N 3.27Å; A120-W136 CarbonylContact C-O 3.52Å; A120-W136 WeakPolarHBondContact CA-O 3.24Å; A120-V137 HydrophobicContact CB-CG1 4.49Å; A120-V137 HydrophobicContact CB-CG2 4.16Å |
| 121 | G | 89.9 | Confident | 77.6 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | -166 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R112 N135 W136 | R112-G121 CarbonylContact O-C 3.57Å; R112-G121 WeakPolarHBondContact O-CA 3.48Å; G121-N135 WeakPolarHBondContact O-CA 3.28Å; G121-W136 PolarHBondContact N-O 2.8Å; G121-W136 PolarHBondContact O-N 3.06Å |
| 122 | W | 92.8 | Very high | 76.4 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 162.5 | 172.2 | 59.9 | -104.3 | 0 | 0 | 0 | 111.9 | I94 A110 Y111 R112 P133 T134 L1343 | I94-W122 HydrophobicContact CD1-CH2 3.92Å; I94-W122 HydrophobicContact CD1-CZ2 3.69Å; I94-W122 HydrophobicContact CG1-CH2 4.17Å; I94-W122 HydrophobicContact CG1-CZ2 4.02Å; I94-W122 HydrophobicContact CG2-CH2 4.45Å; A110-W122 HydrophobicContact CB-CZ3 4.35Å; Y111-W122 CarbonylContact C-O 3.57Å; Y111-W122 VanDerWaalsContact CA-O 3.31Å; Y111-W122 WeakPolarHBondContact CA-O 3.47Å; R112-W122 HydrophobicContact CB-CD2 4.05Å; R112-W122 HydrophobicContact CB-CG 4.43Å; R112-W122 HydrophobicContact CB-CH2 4.47Å; R112-W122 HydrophobicContact CB-CZ2 3.85Å; R112-W122 PolarHBondContact N-O 3.46Å; R112-W122 PolarHBondContact O-N 2.8Å; W122-P133 HydrophobicContact CB-CB 4.09Å; W122-P133 HydrophobicContact CD2-CB 4.04Å; W122-P133 HydrophobicContact CE3-CB 3.86Å; W122-P133 HydrophobicContact CE3-CG 4.49Å; W122-P133 HydrophobicContact CG-CB 4.16Å; W122-T134 CarbonylContact C-O 3.57Å; W122-T134 WeakPolarHBondContact CA-O 3.45Å; W122-T134 WeakPolarHBondContact CB-O 3.2Å; W122-L1343 HydrophobicContact CZ2-CD2 4.1Å |
| 123 | Y | 92.3 | Very high | 76.1 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 157.3 | 170.9 | 61.4 | -91.2 | 0 | 0 | 0 | 111.7 | V76 L77 A80 A110 T134 | V76-Y123 HydrophobicContact CG1-CD1 4.13Å; V76-Y123 HydrophobicContact CG1-CE1 3.44Å; V76-Y123 VanDerWaalsContact CG1-CE1 3.44Å; L77-Y123 HydrophobicContact CD2-CD1 4.13Å; L77-Y123 HydrophobicContact CD2-CG 3.93Å; A80-Y123 HydrophobicContact CB-CD2 3.68Å; A80-Y123 HydrophobicContact CB-CE2 3.21Å; A110-Y123 CarbonylContact O-C 3.58Å; A110-Y123 VanDerWaalsContact O-CA 3.31Å; A110-Y123 WeakPolarHBondContact O-CA 3.27Å; Y123-T134 HydrophobicContact CE1-CG2 4Å; Y123-T134 HydrophobicContact CE2-CG2 4.08Å; Y123-T134 PolarHBondContact N-O 2.83Å; Y123-T134 PolarHBondContact O-N 2.93Å; Y123-T134 WeakPolarHBondContact OH-CG2 3.41Å |
| 124 | R | 89.3 | Confident | 76.1 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 140.6 | 175.6 | -175.6 | 169 | 174.8 | -161.4 | -12.4 | 110.8 | G109 A110 Y126 D130 D131 P133 | G109-R124 CarbonylContact C-O 3.56Å; G109-R124 WeakPolarHBondContact CA-O 3.41Å; A110-R124 PolarHBondContact N-O 2.88Å; A110-R124 PolarHBondContact O-N 3.03Å; R124-Y126 HydrophobicContact CB-CE2 4.46Å; R124-Y126 HydrophobicContact CG-CD2 4.48Å; R124-D130 PolarHBondContact NE-O 3.2Å; R124-D130 PolarHBondContact NH2-O 3.31Å; R124-D131 IonicContact CZ-OD1 2.74Å; R124-D131 PolarHBondContact NH1-O 2.91Å; R124-D131 IonicContact NH1-OD1 3.88Å; R124-D131 PolarHBondContact NH1-OD1 2.87Å; R124-D131 IonicContact NH2-OD1 2.66Å; R124-D131 PolarHBondContact NH2-OD1 2.96Å; R124-P133 HydrophobicContact CB-CB 4.49Å |
| 125 | D | 85.5 | Confident | 76.6 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.9 | 156.1 | -171.6 | -20.9 | 0 | 0 | 0 | 108.5 | T99 R127 S128 | T99-D125 WeakPolarHBondContact CB-OD2 3.49Å; T99-D125 HydrophobicContact CG2-CB 4.2Å; T99-D125 WeakPolarHBondContact CG2-OD2 3.29Å; T99-D125 PolarHBondContact OG1-OD2 2.86Å; T99-D125 VanDerWaalsContact OG1-OD2 3.09Å; D125-R127 PolarHBondContact O-N 2.85Å; D125-R127 WeakPolarHBondContact OD1-CB 3.38Å; D125-R127 WeakPolarHBondContact OD1-CG 3.43Å; D125-R127 IonicContact OD1-CZ 3.26Å; D125-R127 PolarHBondContact OD1-N 3.13Å; D125-R127 IonicContact OD1-NE 3.99Å; D125-R127 PolarHBondContact OD1-NE 2.95Å; D125-R127 IonicContact OD2-CZ 3.96Å; D125-R127 IonicContact OD2-NE 2.69Å; D125-R127 PolarHBondContact OD2-NE 3.08Å; D125-R127 IonicContact OD2-NH2 3.83Å; D125-R127 PolarHBondContact OD2-NH2 2.95Å; D125-S128 PolarHBondContact O-N 2.91Å |
| 126 | Y | 78.6 | Confident | 77.4 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 6.5 | 179.5 | -75.8 | -105.3 | 0 | 0 | 0 | 113.4 | R96 S108 A110 R124 | R96-Y126 VanDerWaalsContact NH1-CE2 3.33Å; R96-Y126 PolarHBondContact NH2-OH 2.98Å; S108-Y126 WeakPolarHBondContact O-CD2 3.32Å; S108-Y126 PolarHBondContact O-N 2.92Å; A110-Y126 HydrophobicContact CB-CE2 3.78Å; R124-Y126 HydrophobicContact CB-CE2 4.46Å; R124-Y126 HydrophobicContact CG-CD2 4.48Å |
| 127 | R | 70 | Confident | 78.4 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -13.3 | 174.2 | -53.7 | 166 | -56.3 | 149.6 | 39.3 | 113.2 | T99 D101 D102 S108 D125 | T99-R127 PolarHBondContact OG1-NE 3Å; T99-R127 PolarHBondContact OG1-NH1 2.96Å; T99-R127 PolarHBondContact OG1-NH2 3.08Å; D101-R127 PolarHBondContact O-NH1 3.25Å; D101-R127 IonicContact OD2-CZ 3.59Å; D101-R127 IonicContact OD2-NH1 2.71Å; D101-R127 IonicContact OD2-NH2 3.74Å; D101-R127 PolarHBondContact OD2-NH2 3.45Å; D102-R127 VanDerWaalsContact N-NH1 3.18Å; D102-R127 IonicContact OD1-CZ 3.42Å; D102-R127 IonicContact OD1-NE 3.15Å; D102-R127 IonicContact OD1-NH1 2.79Å; D102-R127 PolarHBondContact OD1-NH1 3.23Å; S108-R127 VanDerWaalsContact CB-CD 3.45Å; S108-R127 WeakPolarHBondContact OG-CD 3.33Å; D125-R127 PolarHBondContact O-N 2.85Å; D125-R127 WeakPolarHBondContact OD1-CB 3.38Å; D125-R127 WeakPolarHBondContact OD1-CG 3.43Å; D125-R127 IonicContact OD1-CZ 3.26Å; D125-R127 PolarHBondContact OD1-N 3.13Å; D125-R127 IonicContact OD1-NE 3.99Å; D125-R127 PolarHBondContact OD1-NE 2.95Å; D125-R127 IonicContact OD2-CZ 3.96Å; D125-R127 IonicContact OD2-NE 2.69Å; D125-R127 PolarHBondContact OD2-NE 3.08Å; D125-R127 IonicContact OD2-NH2 3.83Å; D125-R127 PolarHBondContact OD2-NH2 2.95Å |
| 128 | S | 62.5 | Low | 79.2 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -64.9 | 147 | 168.6 | -65.8 | 0 | 0 | 0 | 0 | 109.6 | D125 D130 | D125-S128 PolarHBondContact O-N 2.91Å; S128-D130 PolarHBondContact O-N 2.85Å |
| 129 | A | 52 | Low | 79.2 | Confident | 106 Ų | 106 | 58 Ų | 58 | 88% | 0.876 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -68.5 | -17.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D131 | A129-D131 PolarHBondContact O-N 3.34Š|
| 130 | D | 57.8 | Low | 78.3 | Confident | 110 Ų | 110 | 59.1 Ų | 59.1 | 59% | 0.588 | 35% | 0.347 | S | S | * | . | trans | -69.6 | 118.1 | 175.9 | -48.1 | -55.2 | 0 | 0 | 0 | 110.8 | R124 S128 | R124-D130 PolarHBondContact NE-O 3.2Å; R124-D130 PolarHBondContact NH2-O 3.31Å; S128-D130 PolarHBondContact O-N 2.85Å | ||
| 131 | D | 59.9 | Low | 76.7 | Confident | 126 Ų | 126 | 60 Ų | 60 | 67% | 0.674 | 36% | 0.359 | S | S | * | . | trans | -84.8 | -15.3 | -179.7 | -123 | -26.4 | 0 | 0 | 0 | 113.8 | R124 A129 | R124-D131 IonicContact CZ-OD1 2.74Å; R124-D131 PolarHBondContact NH1-O 2.91Å; R124-D131 IonicContact NH1-OD1 3.88Å; R124-D131 PolarHBondContact NH1-OD1 2.87Å; R124-D131 IonicContact NH2-OD1 2.66Å; R124-D131 PolarHBondContact NH2-OD1 2.96Å; A129-D131 PolarHBondContact O-N 3.34Å | ||
| 132 | S | 67.2 | Low | 74.9 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -82.6 | 135 | 175.3 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 133 | P | 83.2 | Confident | 73 | Confident | 33 Ų | 33 | 77.4 Ų | 77.4 | 21% | 0.214 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 144.4 | 163.1 | -18.1 | 31.6 | 0 | 0 | 0 | 111.9 | W122 R124 | W122-P133 HydrophobicContact CB-CB 4.09Å; W122-P133 HydrophobicContact CD2-CB 4.04Å; W122-P133 HydrophobicContact CE3-CB 3.86Å; W122-P133 HydrophobicContact CE3-CG 4.49Å; W122-P133 HydrophobicContact CG-CB 4.16Å; R124-P133 HydrophobicContact CB-CB 4.49Å |
| 134 | T | 88.2 | Confident | 71.4 | Confident | 68 Ų | 68 | 77.4 Ų | 77.4 | 42% | 0.417 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 119.4 | 172.7 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | W122 Y123 | W122-T134 CarbonylContact C-O 3.57Å; W122-T134 WeakPolarHBondContact CA-O 3.45Å; W122-T134 WeakPolarHBondContact CB-O 3.2Å; Y123-T134 HydrophobicContact CE1-CG2 4Å; Y123-T134 HydrophobicContact CE2-CG2 4.08Å; Y123-T134 PolarHBondContact N-O 2.83Å; Y123-T134 PolarHBondContact O-N 2.93Å; Y123-T134 WeakPolarHBondContact OH-CG2 3.41Å |
| 135 | N | 92.1 | Very high | 70.4 | Confident | 125 Ų | 125 | 79 Ų | 79 | 67% | 0.668 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 147.6 | 178.5 | -65.5 | -27.3 | 0 | 0 | 0 | 111.8 | G121 | G121-N135 WeakPolarHBondContact O-CA 3.28Å |
| 136 | W | 91.1 | Very high | 69.7 | Low | 16 Ų | 16 | 80 Ų | 80 | 6% | 0.061 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.5 | 173.4 | 166.3 | 76.5 | 0 | 0 | 0 | 109.8 | P69 E72 F73 V76 M90 A113 P119 A120 G121 F138 | P69-W136 HydrophobicContact CB-CH2 4.14Å; E72-W136 HydrophobicContact CB-CZ2 4.39Å; E72-W136 PolarHBondContact OE1-NE1 2.88Å; F73-W136 HydrophobicContact CB-CD2 4.29Å; F73-W136 HydrophobicContact CB-CE3 4.28Å; F73-W136 HydrophobicContact CB-CH2 3.89Å; F73-W136 HydrophobicContact CB-CZ2 3.87Å; F73-W136 HydrophobicContact CB-CZ3 4.1Å; F73-W136 HydrophobicContact CD2-CB 4.24Å; F73-W136 AromaticContact CD2-CD2 3.45Å; F73-W136 HydrophobicContact CD2-CD2 3.45Å; F73-W136 VanDerWaalsContact CD2-CD2 3.45Å; F73-W136 AromaticContact CD2-CE3 3.46Å; F73-W136 HydrophobicContact CD2-CE3 3.46Å; F73-W136 VanDerWaalsContact CD2-CE3 3.46Å; F73-W136 AromaticContact CD2-CG 3.8Å; F73-W136 HydrophobicContact CD2-CG 3.8Å; F73-W136 HydrophobicContact CD2-CZ3 4.08Å; F73-W136 HydrophobicContact CE2-CB 4.16Å; F73-W136 HydrophobicContact CE2-CD2 4.08Å; F73-W136 AromaticContact CE2-CE3 3.88Å; F73-W136 HydrophobicContact CE2-CE3 3.88Å; F73-W136 HydrophobicContact CE2-CG 4.21Å; F73-W136 HydrophobicContact CG-CD2 4.15Å; F73-W136 AromaticContact CG-CE3 3.92Å; F73-W136 HydrophobicContact CG-CE3 3.92Å; F73-W136 HydrophobicContact CG-CH2 4.35Å; F73-W136 HydrophobicContact CG-CZ3 4.05Å; V76-W136 HydrophobicContact CG1-CB 4.46Å; V76-W136 HydrophobicContact CG1-CG 4.37Å; M90-W136 HydrophobicContact CE-CH2 3.62Å; M90-W136 HydrophobicContact CE-CZ3 3.54Å; A113-W136 HydrophobicContact CB-CZ3 4.4Å; P119-W136 HydrophobicContact CB-CH2 4.16Å; A120-W136 CarbonylContact C-O 3.52Å; A120-W136 WeakPolarHBondContact CA-O 3.24Å; G121-W136 PolarHBondContact N-O 2.8Å; G121-W136 PolarHBondContact O-N 3.06Å; W136-F138 HydrophobicContact CH2-CB 3.95Å; W136-F138 HydrophobicContact CZ2-CB 3.77Å; W136-F138 HydrophobicContact CZ2-CD2 4.15Å; W136-F138 HydrophobicContact CZ2-CG 4.47Å |
| 137 | V | 88.5 | Confident | 69.6 | Low | 76 Ų | 76 | 78.7 Ų | 78.7 | 46% | 0.461 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131.7 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | R118 A120 S139 | R118-V137 HydrophobicContact CG-CG1 3.96Å; A120-V137 HydrophobicContact CB-CG1 4.49Å; A120-V137 HydrophobicContact CB-CG2 4.16Å; V137-S139 PolarHBondContact O-N 2.83Å |
| 138 | F | 82.9 | Confident | 69.7 | Low | 4 Ų | 4 | 74.2 Ų | 74.2 | 2% | 0.018 | 44% | 0.441 | C | S | . | . | trans | -55.6 | 134.1 | -176 | 178 | -117 | 0 | 0 | 0 | 112.8 | G67 P69 E72 R118 P119 W136 G140 H144 | G67-F138 VanDerWaalsContact O-CZ 3.29Å; G67-F138 WeakPolarHBondContact O-CZ 3.35Å; P69-F138 HydrophobicContact CB-CB 4.35Å; P69-F138 HydrophobicContact CB-CD1 4.49Å; P69-F138 HydrophobicContact CB-CD2 3.64Å; P69-F138 HydrophobicContact CB-CE2 4.01Å; P69-F138 HydrophobicContact CB-CG 3.91Å; E72-F138 HydrophobicContact CB-CD2 4.13Å; E72-F138 HydrophobicContact CB-CE2 4.2Å; E72-F138 HydrophobicContact CG-CD2 4.49Å; E72-F138 WeakPolarHBondContact OE1-CA 3.41Å; E72-F138 WeakPolarHBondContact OE2-CD2 3.1Å; E72-F138 VanDerWaalsContact OE2-CE2 3.26Å; E72-F138 WeakPolarHBondContact OE2-CE2 3.36Å; R118-F138 PolarHBondContact NE-O 2.99Å; R118-F138 PolarHBondContact NH2-O 3.45Å; P119-F138 HydrophobicContact CB-CB 4.05Å; P119-F138 VanDerWaalsContact O-CB 3.28Å; P119-F138 WeakPolarHBondContact O-CB 3.44Å; P119-F138 PolarHBondContact O-N 2.92Å; W136-F138 HydrophobicContact CH2-CB 3.95Å; W136-F138 HydrophobicContact CZ2-CB 3.77Å; W136-F138 HydrophobicContact CZ2-CD2 4.15Å; W136-F138 HydrophobicContact CZ2-CG 4.47Å; F138-G140 WeakPolarHBondContact CD1-O 3.47Å; F138-G140 WeakPolarHBondContact CE1-O 3.25Å; F138-H144 AromaticContact CE1-CE1 3.61Å; F138-H144 AromaticContact CE1-NE2 3.97Å | ||
| 139 | S | 73.9 | Confident | 70.1 | Confident | 90 Ų | 90 | 75 Ų | 75 | 63% | 0.629 | 44% | 0.436 | S | S | * | . | trans | -78.5 | -25.1 | -172.7 | 73.2 | 0 | 0 | 0 | 0 | 114.5 | E72 V137 G141 | E72-S139 PolarHBondContact OE1-N 2.8Å; E72-S139 VanDerWaalsContact OE1-N 3.16Å; E72-S139 VanDerWaalsContact OE2-CB 3.23Å; E72-S139 WeakPolarHBondContact OE2-CB 3.43Å; E72-S139 PolarHBondContact OE2-N 3.19Å; E72-S139 PolarHBondContact OE2-OG 3.43Å; V137-S139 PolarHBondContact O-N 2.83Å; S139-G141 PolarHBondContact O-N 2.87Å | ||
| 140 | G | 61.2 | Low | 71.4 | Confident | 25 Ų | 25 | 71.1 Ų | 71.1 | 26% | 0.258 | 40% | 0.4 | S | S | . | . | trans | -66.8 | 113.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F138 H144 | F138-G140 WeakPolarHBondContact CD1-O 3.47Å; F138-G140 WeakPolarHBondContact CE1-O 3.25Å; G140-H144 PolarHBondContact O-NE2 2.96Å; G140-H144 VanDerWaalsContact O-NE2 3.13Å | ||
| 141 | G | 52 | Low | 72.6 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | trans | -68.3 | -170.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S139 Q143 H144 | S139-G141 PolarHBondContact O-N 2.87Å; G141-Q143 PolarHBondContact O-N 2.9Å; G141-H144 PolarHBondContact O-CD2 2.98Å; G141-H144 PolarHBondContact O-NE2 2.81Å; G141-H144 VanDerWaalsContact O-NE2 3.1Å | ||
| 142 | E | 52.5 | Low | 73.1 | Confident | 184 Ų | 184 | 61 Ų | 61 | 86% | 0.86 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -64 | -4.9 | -160.7 | -62.9 | 172.3 | 150.3 | 0 | 0 | 117 | H144 | E142-H144 PolarHBondContact O-N 2.8Š|
| 143 | Q | 52.2 | Low | 73.4 | Confident | 205 Ų | 205 | 59.8 Ų | 59.8 | 96% | 0.958 | 33% | 0.328 | S | S | * | . | trans | -76.5 | 58.2 | 177 | -66.6 | -174.4 | -27.6 | 0 | 0 | 112.8 | G141 | G141-Q143 PolarHBondContact O-N 2.9Š| ||
| 144 | H | 59.1 | Low | 73.4 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | trans | -98.4 | 145.9 | 174.8 | -72 | -102.2 | 0 | 0 | 0 | 111.2 | F138 G140 G141 E142 P146 R149 | F138-H144 AromaticContact CE1-CE1 3.61Å; F138-H144 AromaticContact CE1-NE2 3.97Å; G140-H144 PolarHBondContact O-NE2 2.96Å; G140-H144 VanDerWaalsContact O-NE2 3.13Å; G141-H144 PolarHBondContact O-CD2 2.98Å; G141-H144 PolarHBondContact O-NE2 2.81Å; G141-H144 VanDerWaalsContact O-NE2 3.1Å; E142-H144 PolarHBondContact O-N 2.8Å; H144-P146 WeakPolarHBondContact O-CD 3.16Å; H144-R149 VanDerWaalsContact CB-CD 3.49Å; H144-R149 HydrophobicContact CB-CG 3.88Å | ||
| 145 | D | 68.9 | Low | 72.9 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | trans | -59 | 121.4 | 164.8 | 167.5 | 31.2 | 0 | 0 | 0 | 110.2 | L147 A148 R149 | D145-L147 PolarHBondContact O-N 3.48Å; D145-L147 WeakPolarHBondContact OD1-CB 3.44Å; D145-L147 PolarHBondContact OD1-N 3.36Å; D145-L147 WeakPolarHBondContact OD2-CB 3.49Å; D145-A148 HydrophobicContact CB-CB 3.9Å; D145-A148 PolarHBondContact O-N 3.5Å; D145-A148 WeakPolarHBondContact OD2-CB 3.47Å; D145-A148 PolarHBondContact OD2-N 3.17Å; D145-R149 PolarHBondContact O-N 2.92Å | ||
| 146 | P | 69.7 | Low | 71.9 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 177.4 | -23.3 | 35.4 | 0 | 0 | 0 | 113.1 | H144 R149 L150 Y450 | H144-P146 WeakPolarHBondContact O-CD 3.16Å; P146-R149 PolarHBondContact O-N 2.9Å; P146-L150 WeakPolarHBondContact O-CB 3.29Å; P146-L150 PolarHBondContact O-N 2.84Å; P146-Y450 HydrophobicContact CB-CD2 3.74Å; P146-Y450 HydrophobicContact CB-CE2 4.29Å; P146-Y450 HydrophobicContact CG-CD2 3.98Å |
| 147 | L | 77.1 | Confident | 71.5 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.9 | -47.8 | 176.8 | -178.6 | 63 | 0 | 0 | 0 | 110.5 | P12 L62 D145 R149 L150 H151 | P12-L147 HydrophobicContact CG-CD1 3.83Å; L62-L147 HydrophobicContact CD1-CG 4.44Å; L62-L147 HydrophobicContact CD2-CD2 3.92Å; L62-L147 HydrophobicContact CD2-CG 4.08Å; D145-L147 PolarHBondContact O-N 3.48Å; D145-L147 WeakPolarHBondContact OD1-CB 3.44Å; D145-L147 PolarHBondContact OD1-N 3.36Å; D145-L147 WeakPolarHBondContact OD2-CB 3.49Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 3.43Å; L147-L150 WeakPolarHBondContact O-CB 3.47Å; L147-L150 PolarHBondContact O-N 3.13Å; L147-L150 VanDerWaalsContact O-N 3.09Å; L147-H151 PolarHBondContact O-CD2 2.95Å; L147-H151 VanDerWaalsContact O-CD2 3.3Å; L147-H151 PolarHBondContact O-N 3Å |
| 148 | A | 71.8 | Confident | 71.2 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.1 | -49.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L62 D145 L150 H151 L152 | L62-A148 HydrophobicContact CB-CB 4.14Å; D145-A148 HydrophobicContact CB-CB 3.9Å; D145-A148 PolarHBondContact O-N 3.5Å; D145-A148 WeakPolarHBondContact OD2-CB 3.47Å; D145-A148 PolarHBondContact OD2-N 3.17Å; A148-L150 VanDerWaalsContact C-N 3.28Å; A148-L150 PolarHBondContact O-N 3.18Å; A148-H151 PolarHBondContact O-N 2.88Å; A148-L152 WeakPolarHBondContact O-CB 3.14Å; A148-L152 VanDerWaalsContact O-CG 3.23Å; A148-L152 WeakPolarHBondContact O-CG 3.46Å; A148-L152 PolarHBondContact O-N 2.79Å |
| 149 | R | 71.4 | Confident | 70.9 | Confident | 74 Ų | 74 | 52.1 Ų | 52.1 | 28% | 0.279 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.8 | -39.5 | 174.8 | -79.9 | 175.9 | 62 | -179.6 | 1.1 | 112.7 | H144 D145 P146 L147 R153 D446 | H144-R149 VanDerWaalsContact CB-CD 3.49Å; H144-R149 HydrophobicContact CB-CG 3.88Å; D145-R149 PolarHBondContact O-N 2.92Å; P146-R149 PolarHBondContact O-N 2.9Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 3.43Å; R149-R153 WeakPolarHBondContact O-CB 3.42Å; R149-R153 PolarHBondContact O-N 3.27Å; R149-D446 IonicContact CZ-OD1 3.75Å; R149-D446 IonicContact CZ-OD2 2.79Å; R149-D446 IonicContact NH1-OD1 2.96Å; R149-D446 IonicContact NH2-OD1 3.35Å; R149-D446 PolarHBondContact NH2-OD1 3.24Å; R149-D446 IonicContact NH2-OD2 3.75Å; R149-D446 PolarHBondContact NH2-OD2 3.39Å |
| 150 | L | 78.9 | Confident | 71 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.8 | -44.5 | 178 | -175.9 | 63.3 | 0 | 0 | 0 | 112.6 | A10 V11 L40 P146 L147 A148 L152 R153 A154 | A10-L150 HydrophobicContact CB-CD2 4.33Å; A10-L150 HydrophobicContact CB-CG 3.96Å; V11-L150 WeakPolarHBondContact O-CD2 3.28Å; L40-L150 HydrophobicContact CD2-CD1 3.92Å; P146-L150 WeakPolarHBondContact O-CB 3.29Å; P146-L150 PolarHBondContact O-N 2.84Å; L147-L150 WeakPolarHBondContact O-CB 3.47Å; L147-L150 PolarHBondContact O-N 3.13Å; L147-L150 VanDerWaalsContact O-N 3.09Å; A148-L150 VanDerWaalsContact C-N 3.28Å; A148-L150 PolarHBondContact O-N 3.18Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-R153 PolarHBondContact O-N 2.87Å; L150-A154 WeakPolarHBondContact O-CB 3.37Å; L150-A154 PolarHBondContact O-N 3.41Å |
| 151 | H | 82.2 | Confident | 72 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 174.7 | -75.7 | -92.9 | 0 | 0 | 0 | 112.3 | A10 L56 R58 L62 L147 A148 F155 | A10-H151 HydrophobicContact CB-CB 4.17Å; A10-H151 VanDerWaalsContact CB-CE1 3.49Å; A10-H151 WeakPolarHBondContact CB-CE1 3.44Å; A10-H151 VanDerWaalsContact CB-CG 3.42Å; A10-H151 VanDerWaalsContact CB-ND1 3.3Å; A10-H151 WeakPolarHBondContact CB-ND1 3.38Å; L56-H151 PolarHBondContact O-CE1 3.33Å; L56-H151 VanDerWaalsContact O-CE1 3.29Å; L56-H151 PolarHBondContact O-ND1 2.97Å; L56-H151 VanDerWaalsContact O-ND1 3.16Å; R58-H151 PolarHBondContact N-ND1 2.68Å; L62-H151 HydrophobicContact CD1-CB 3.7Å; L62-H151 WeakPolarHBondContact CD1-CD2 3.24Å; L62-H151 VanDerWaalsContact CD1-CG 3.49Å; L147-H151 PolarHBondContact O-CD2 2.95Å; L147-H151 VanDerWaalsContact O-CD2 3.3Å; L147-H151 PolarHBondContact O-N 3Å; A148-H151 PolarHBondContact O-N 2.88Å; H151-F155 VanDerWaalsContact O-CB 3.28Å; H151-F155 WeakPolarHBondContact O-CB 3.45Å; H151-F155 PolarHBondContact O-N 2.88Å |
| 152 | L | 70.1 | Confident | 73.4 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -47.9 | 172 | -72.2 | 166.7 | 0 | 0 | 0 | 111.7 | P59 M64 L115 A148 L150 A154 F155 A156 | P59-L152 HydrophobicContact CB-CD2 3.67Å; P59-L152 HydrophobicContact CB-CG 4.25Å; M64-L152 HydrophobicContact SD-CD1 4.35Å; L115-L152 HydrophobicContact CB-CD2 4.15Å; L115-L152 HydrophobicContact CD1-CD2 4.36Å; L115-L152 HydrophobicContact CD2-CD2 4.22Å; L115-L152 HydrophobicContact CG-CD2 4.47Å; A148-L152 WeakPolarHBondContact O-CB 3.14Å; A148-L152 VanDerWaalsContact O-CG 3.23Å; A148-L152 WeakPolarHBondContact O-CG 3.46Å; A148-L152 PolarHBondContact O-N 2.79Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L152-A154 PolarHBondContact O-N 3.34Å; L152-F155 PolarHBondContact O-N 2.6Å; L152-A156 WeakPolarHBondContact O-CB 3.22Å; L152-A156 PolarHBondContact O-N 2.94Å |
| 153 | R | 73.9 | Confident | 74.3 | Confident | 55 Ų | 55 | 45 Ų | 45 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.4 | -47.6 | 175.7 | -171.8 | -171.8 | -178.1 | 121.2 | 9.4 | 111.5 | K38 L40 R149 L150 A156 Q157 | K38-R153 VanDerWaalsContact O-CZ 3.29Å; K38-R153 PolarHBondContact O-NE 2.98Å; K38-R153 PolarHBondContact O-NH2 3Å; L40-R153 HydrophobicContact CD1-CG 4.17Å; L40-R153 HydrophobicContact CD2-CB 4.39Å; L40-R153 HydrophobicContact CD2-CG 4.09Å; L40-R153 HydrophobicContact CG-CG 4.24Å; R149-R153 WeakPolarHBondContact O-CB 3.42Å; R149-R153 PolarHBondContact O-N 3.27Å; L150-R153 PolarHBondContact O-N 2.87Å; R153-A156 PolarHBondContact O-N 3.05Å; R153-Q157 PolarHBondContact O-N 3.43Å |
| 154 | A | 82.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W8 A10 L40 P57 L150 L152 Q158 | W8-A154 HydrophobicContact CB-CB 4.42Å; A10-A154 HydrophobicContact CB-CB 4.26Å; L40-A154 HydrophobicContact CD1-CB 4.46Å; L40-A154 HydrophobicContact CD2-CB 4.03Å; P57-A154 HydrophobicContact CB-CB 4.02Å; L150-A154 WeakPolarHBondContact O-CB 3.37Å; L150-A154 PolarHBondContact O-N 3.41Å; L152-A154 PolarHBondContact O-N 3.34Å; A154-Q158 WeakPolarHBondContact O-CB 3.44Å; A154-Q158 PolarHBondContact O-N 2.73Å |
| 155 | F | 78.9 | Confident | 76.9 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 176.2 | -175.3 | -99.8 | 0 | 0 | 0 | 112.4 | P57 P59 H151 L152 Q157 Q158 Q159 | P57-F155 HydrophobicContact CB-CB 3.99Å; P59-F155 HydrophobicContact CG-CB 3.91Å; P59-F155 HydrophobicContact CG-CD1 4.18Å; P59-F155 HydrophobicContact CG-CD2 3.92Å; P59-F155 HydrophobicContact CG-CE2 4.49Å; P59-F155 HydrophobicContact CG-CG 3.74Å; H151-F155 VanDerWaalsContact O-CB 3.28Å; H151-F155 WeakPolarHBondContact O-CB 3.45Å; H151-F155 PolarHBondContact O-N 2.88Å; L152-F155 PolarHBondContact O-N 2.6Å; F155-Q157 PolarHBondContact O-N 2.86Å; F155-Q158 WeakPolarHBondContact O-CB 3.49Å; F155-Q158 PolarHBondContact O-N 2.9Å; F155-Q159 HydrophobicContact CD1-CG 4.12Å; F155-Q159 HydrophobicContact CE1-CG 3.72Å; F155-Q159 HydrophobicContact CZ-CG 3.97Å; F155-Q159 WeakPolarHBondContact O-CG 3.39Å; F155-Q159 PolarHBondContact O-N 2.95Å |
| 156 | A | 70.3 | Confident | 77.6 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D116 L152 R153 Q159 R160 | D116-A156 HydrophobicContact CB-CB 3.74Å; L152-A156 WeakPolarHBondContact O-CB 3.22Å; L152-A156 PolarHBondContact O-N 2.94Å; R153-A156 PolarHBondContact O-N 3.05Å; A156-Q159 PolarHBondContact O-N 3.3Å; A156-R160 WeakPolarHBondContact O-CG 3.48Å; A156-R160 PolarHBondContact O-N 3.38Å |
| 157 | Q | 82.1 | Confident | 78.1 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68 | -34.7 | 175.1 | -168.6 | 56.9 | 47.3 | 0 | 0 | 112.2 | W8 K38 L40 R153 F155 R160 D161 | W8-Q157 HydrophobicContact CD2-CB 4.41Å; W8-Q157 HydrophobicContact CD2-CG 3.96Å; W8-Q157 VanDerWaalsContact CE2-CG 3.41Å; W8-Q157 HydrophobicContact CG-CB 4.35Å; W8-Q157 HydrophobicContact CG-CG 4.3Å; W8-Q157 HydrophobicContact CH2-CG 4.33Å; W8-Q157 HydrophobicContact CZ2-CG 3.58Å; K38-Q157 HydrophobicContact CG-CG 4.38Å; L40-Q157 HydrophobicContact CD1-CB 3.87Å; L40-Q157 HydrophobicContact CD1-CG 4.35Å; R153-Q157 PolarHBondContact O-N 3.43Å; F155-Q157 PolarHBondContact O-N 2.86Å; Q157-R160 PolarHBondContact O-N 2.89Å; Q157-D161 PolarHBondContact NE2-OD1 3.07Å; Q157-D161 PolarHBondContact O-N 2.91Å |
| 158 | Q | 84 | Confident | 78.6 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 170.7 | -172.4 | 66.1 | 48.7 | 0 | 0 | 112.2 | W8 A154 F155 R160 D161 D162 | W8-Q158 HydrophobicContact CB-CB 4.49Å; A154-Q158 WeakPolarHBondContact O-CB 3.44Å; A154-Q158 PolarHBondContact O-N 2.73Å; F155-Q158 WeakPolarHBondContact O-CB 3.49Å; F155-Q158 PolarHBondContact O-N 2.9Å; Q158-R160 VanDerWaalsContact C-N 3.34Å; Q158-R160 PolarHBondContact O-N 2.8Å; Q158-D161 PolarHBondContact O-N 2.86Å; Q158-D162 PolarHBondContact NE2-OD2 3.29Å; Q158-D162 WeakPolarHBondContact O-CB 3.4Å; Q158-D162 PolarHBondContact O-N 2.88Å |
| 159 | Q | 76.4 | Confident | 79.4 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -36.5 | 176.5 | -66.9 | -58.7 | -23.6 | 0 | 0 | 112.4 | F155 A156 D162 N163 | F155-Q159 HydrophobicContact CD1-CG 4.12Å; F155-Q159 HydrophobicContact CE1-CG 3.72Å; F155-Q159 HydrophobicContact CZ-CG 3.97Å; F155-Q159 WeakPolarHBondContact O-CG 3.39Å; F155-Q159 PolarHBondContact O-N 2.95Å; A156-Q159 PolarHBondContact O-N 3.3Å; Q159-D162 PolarHBondContact O-N 2.99Å; Q159-N163 WeakPolarHBondContact O-CB 3.37Å; Q159-N163 PolarHBondContact O-N 2.86Å; Q159-N163 PolarHBondContact O-ND2 3.08Å |
| 160 | R | 74.5 | Confident | 80.3 | Confident | 94 Ų | 94 | 48 Ų | 48 | 36% | 0.355 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -52.2 | 172.7 | -74.2 | 174.4 | 177.3 | 135.3 | 6.7 | 111.5 | D116 A156 Q157 Q158 D162 N163 A164 | D116-R160 IonicContact OD1-CZ 2.94Å; D116-R160 IonicContact OD1-NH1 3.64Å; D116-R160 IonicContact OD1-NH2 3.76Å; D116-R160 PolarHBondContact OD1-NH2 3.48Å; D116-R160 IonicContact OD2-CZ 3.98Å; D116-R160 IonicContact OD2-NH1 2.67Å; D116-R160 PolarHBondContact OD2-NH1 2.86Å; D116-R160 IonicContact OD2-NH2 3.26Å; D116-R160 PolarHBondContact OD2-NH2 2.77Å; A156-R160 WeakPolarHBondContact O-CG 3.48Å; A156-R160 PolarHBondContact O-N 3.38Å; Q157-R160 PolarHBondContact O-N 2.89Å; Q158-R160 VanDerWaalsContact C-N 3.34Å; Q158-R160 PolarHBondContact O-N 2.8Å; R160-D162 VanDerWaalsContact C-N 3.33Å; R160-D162 PolarHBondContact O-N 3.21Å; R160-N163 PolarHBondContact O-N 2.83Å; R160-A164 WeakPolarHBondContact O-CB 3.26Å; R160-A164 PolarHBondContact O-N 2.9Å |
| 161 | D | 82.5 | Confident | 81 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 178.3 | -78.2 | 31.3 | 0 | 0 | 0 | 111.7 | R6 W8 Q157 Q158 R165 | R6-D161 IonicContact CZ-OD2 2.7Å; R6-D161 IonicContact NE-OD2 3.74Å; R6-D161 PolarHBondContact NE-OD2 3.47Å; R6-D161 VanDerWaalsContact NE-OD2 3.1Å; R6-D161 IonicContact NH2-OD1 2.72Å; R6-D161 IonicContact NH2-OD2 3.75Å; R6-D161 PolarHBondContact NH2-OD2 2.94Å; W8-D161 PolarHBondContact NE1-OD2 3.26Å; Q157-D161 PolarHBondContact NE2-OD1 3.07Å; Q157-D161 PolarHBondContact O-N 2.91Å; Q158-D161 PolarHBondContact O-N 2.86Å; D161-R165 WeakPolarHBondContact O-CG 3.21Å; D161-R165 PolarHBondContact O-N 2.61Å |
| 162 | D | 81.1 | Confident | 81.4 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.9 | -35.4 | 178 | -82 | -48.5 | 0 | 0 | 0 | 113.9 | Q158 Q159 R160 R165 K166 | Q158-D162 PolarHBondContact NE2-OD2 3.29Å; Q158-D162 WeakPolarHBondContact O-CB 3.4Å; Q158-D162 PolarHBondContact O-N 2.88Å; Q159-D162 PolarHBondContact O-N 2.99Å; R160-D162 VanDerWaalsContact C-N 3.33Å; R160-D162 PolarHBondContact O-N 3.21Å; D162-R165 PolarHBondContact O-N 3.31Å; D162-R165 IonicContact OD1-CZ 2.93Å; D162-R165 VanDerWaalsContact OD1-CZ 3.26Å; D162-R165 IonicContact OD1-NE 2.68Å; D162-R165 PolarHBondContact OD1-NE 2.97Å; D162-R165 IonicContact OD1-NH2 3.7Å; D162-R165 PolarHBondContact OD1-NH2 3.17Å; D162-R165 IonicContact OD2-NH2 3.86Å; D162-R165 PolarHBondContact OD2-NH2 2.88Å; D162-K166 VanDerWaalsContact O-CG 3.23Å; D162-K166 WeakPolarHBondContact O-CG 3.47Å; D162-K166 PolarHBondContact O-N 3.18Å |
| 163 | N | 73.2 | Confident | 82.5 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 23% | 0.225 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.1 | -36.7 | 175.5 | -73.3 | -18.7 | 0 | 0 | 0 | 111.4 | D91 Q159 R160 K166 L167 | D91-N163 PolarHBondContact O-ND2 2.82Å; Q159-N163 WeakPolarHBondContact O-CB 3.37Å; Q159-N163 PolarHBondContact O-N 2.86Å; Q159-N163 PolarHBondContact O-ND2 3.08Å; R160-N163 PolarHBondContact O-N 2.83Å; N163-K166 PolarHBondContact O-N 2.88Å; N163-K166 PolarHBondContact OD1-NZ 3.47Å; N163-L167 WeakPolarHBondContact O-CB 3.24Å; N163-L167 PolarHBondContact O-N 3.43Å |
| 164 | A | 79.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 50% | 0.504 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R160 L167 Q168 | R160-A164 WeakPolarHBondContact O-CB 3.26Å; R160-A164 PolarHBondContact O-N 2.9Å; A164-L167 PolarHBondContact O-N 3.4Å; A164-Q168 PolarHBondContact O-N 3.07Å |
| 165 | R | 85.9 | Confident | 84.1 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 19% | 0.189 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 174.1 | -79.1 | -174.9 | -75.9 | -92.4 | 7.6 | 112.5 | D161 D162 L167 Q168 Q169 | D161-R165 WeakPolarHBondContact O-CG 3.21Å; D161-R165 PolarHBondContact O-N 2.61Å; D162-R165 PolarHBondContact O-N 3.31Å; D162-R165 IonicContact OD1-CZ 2.93Å; D162-R165 VanDerWaalsContact OD1-CZ 3.26Å; D162-R165 IonicContact OD1-NE 2.68Å; D162-R165 PolarHBondContact OD1-NE 2.97Å; D162-R165 IonicContact OD1-NH2 3.7Å; D162-R165 PolarHBondContact OD1-NH2 3.17Å; D162-R165 IonicContact OD2-NH2 3.86Å; D162-R165 PolarHBondContact OD2-NH2 2.88Å; R165-L167 PolarHBondContact O-N 3.1Å; R165-Q168 PolarHBondContact O-N 2.78Å; R165-Q169 WeakPolarHBondContact O-CG 3.5Å; R165-Q169 PolarHBondContact O-N 3.36Å |
| 166 | K | 83.5 | Confident | 84.8 | Confident | 106 Ų | 106 | 56 Ų | 56 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 177.1 | -68.7 | 163.7 | -155 | 163.5 | 0 | 111.4 | D162 N163 Q169 Q170 | D162-K166 VanDerWaalsContact O-CG 3.23Å; D162-K166 WeakPolarHBondContact O-CG 3.47Å; D162-K166 PolarHBondContact O-N 3.18Å; N163-K166 PolarHBondContact O-N 2.88Å; N163-K166 PolarHBondContact OD1-NZ 3.47Å; K166-Q169 PolarHBondContact O-N 3.07Å; K166-Q170 WeakPolarHBondContact O-CB 3.44Å; K166-Q170 PolarHBondContact O-N 2.84Å |
| 167 | L | 80.9 | Confident | 86 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 34% | 0.335 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 179.7 | -173 | 63 | 0 | 0 | 0 | 111.7 | N163 A164 R165 Q169 Q170 Y171 | N163-L167 WeakPolarHBondContact O-CB 3.24Å; N163-L167 PolarHBondContact O-N 3.43Å; A164-L167 PolarHBondContact O-N 3.4Å; R165-L167 PolarHBondContact O-N 3.1Å; L167-Q169 PolarHBondContact O-N 2.9Å; L167-Q170 WeakPolarHBondContact O-CB 3.42Å; L167-Q170 PolarHBondContact O-N 3.12Å; L167-Y171 HydrophobicContact CD1-CD1 4.21Å; L167-Y171 HydrophobicContact CD1-CE1 3.64Å; L167-Y171 HydrophobicContact CD1-CE2 4.23Å; L167-Y171 HydrophobicContact CD2-CE2 4.11Å; L167-Y171 HydrophobicContact CG-CD2 4.28Å; L167-Y171 HydrophobicContact CG-CE1 4.15Å; L167-Y171 HydrophobicContact CG-CE2 3.83Å; L167-Y171 PolarHBondContact O-N 2.89Å |
| 168 | Q | 87.2 | Confident | 86.7 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 177.3 | -168.1 | 61.3 | 40.3 | 0 | 0 | 112.4 | A164 R165 Q170 Y171 N172 | A164-Q168 PolarHBondContact O-N 3.07Å; R165-Q168 PolarHBondContact O-N 2.78Å; Q168-Q170 VanDerWaalsContact C-N 3.35Å; Q168-Y171 PolarHBondContact O-N 2.81Å; Q168-N172 PolarHBondContact NE2-OD1 3.43Å; Q168-N172 VanDerWaalsContact NE2-OD1 3.16Å; Q168-N172 WeakPolarHBondContact O-CB 3.42Å; Q168-N172 VanDerWaalsContact O-CG 3.24Å; Q168-N172 PolarHBondContact O-N 3.11Å |
| 169 | Q | 89.4 | Confident | 87.3 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 173.7 | -73.1 | 176.8 | -7.3 | 0 | 0 | 111.8 | R165 K166 L167 K173 | R165-Q169 WeakPolarHBondContact O-CG 3.5Å; R165-Q169 PolarHBondContact O-N 3.36Å; K166-Q169 PolarHBondContact O-N 3.07Å; L167-Q169 PolarHBondContact O-N 2.9Å; Q169-K173 VanDerWaalsContact O-CB 3.32Å; Q169-K173 WeakPolarHBondContact O-CB 3.48Å; Q169-K173 PolarHBondContact O-N 3.09Å |
| 170 | Q | 90.1 | Very high | 88.1 | Confident | 83 Ų | 83 | 63.5 Ų | 63.5 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 175 | -174.7 | 167.9 | 3.9 | 0 | 0 | 111.7 | K166 L167 Q168 K173 Q174 | K166-Q170 WeakPolarHBondContact O-CB 3.44Å; K166-Q170 PolarHBondContact O-N 2.84Å; L167-Q170 WeakPolarHBondContact O-CB 3.42Å; L167-Q170 PolarHBondContact O-N 3.12Å; Q168-Q170 VanDerWaalsContact C-N 3.35Å; Q170-K173 PolarHBondContact O-N 3.46Å; Q170-Q174 WeakPolarHBondContact O-CG 3.44Å; Q170-Q174 PolarHBondContact O-N 2.92Å |
| 171 | Y | 92 | Very high | 89.2 | Confident | 16 Ų | 16 | 61 Ų | 61 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 174.1 | -71.2 | -11.2 | 0 | 0 | 0 | 112.5 | L167 Q168 K173 Q174 A175 E245 | L167-Y171 HydrophobicContact CD1-CD1 4.21Å; L167-Y171 HydrophobicContact CD1-CE1 3.64Å; L167-Y171 HydrophobicContact CD1-CE2 4.23Å; L167-Y171 HydrophobicContact CD2-CE2 4.11Å; L167-Y171 HydrophobicContact CG-CD2 4.28Å; L167-Y171 HydrophobicContact CG-CE1 4.15Å; L167-Y171 HydrophobicContact CG-CE2 3.83Å; L167-Y171 PolarHBondContact O-N 2.89Å; Q168-Y171 PolarHBondContact O-N 2.81Å; Y171-K173 VanDerWaalsContact C-N 3.31Å; Y171-K173 PolarHBondContact O-N 3.46Å; Y171-Q174 PolarHBondContact O-N 3.44Å; Y171-A175 WeakPolarHBondContact O-CB 3.27Å; Y171-A175 PolarHBondContact O-N 3.01Å; Y171-E245 HydrophobicContact CD1-CB 4.02Å; Y171-E245 HydrophobicContact CD2-CB 3.72Å; Y171-E245 HydrophobicContact CD2-CG 3.6Å; Y171-E245 HydrophobicContact CE1-CB 4.32Å; Y171-E245 HydrophobicContact CE2-CB 4.05Å; Y171-E245 HydrophobicContact CE2-CG 3.76Å; Y171-E245 HydrophobicContact CG-CB 3.69Å; Y171-E245 HydrophobicContact CG-CG 4.13Å |
| 172 | N | 91.7 | Very high | 89.8 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 34% | 0.342 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.6 | -74.3 | -9.8 | 0 | 0 | 0 | 111.9 | Q168 A175 G176 R225 | Q168-N172 PolarHBondContact NE2-OD1 3.43Å; Q168-N172 VanDerWaalsContact NE2-OD1 3.16Å; Q168-N172 WeakPolarHBondContact O-CB 3.42Å; Q168-N172 VanDerWaalsContact O-CG 3.24Å; Q168-N172 PolarHBondContact O-N 3.11Å; N172-A175 PolarHBondContact O-N 2.75Å; N172-G176 PolarHBondContact O-N 2.65Å; N172-R225 PolarHBondContact OD1-NH1 2.88Å; N172-R225 VanDerWaalsContact OD1-NH1 3.07Å; N172-R225 PolarHBondContact OD1-NH2 2.92Å |
| 173 | K | 93.4 | Very high | 90.3 | Very high | 169 Ų | 169 | 63.5 Ų | 63.5 | 74% | 0.735 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 173.5 | -177.8 | -179.7 | 179 | -178.7 | 0 | 112.1 | Q169 Q170 Y171 G176 Y177 | Q169-K173 VanDerWaalsContact O-CB 3.32Å; Q169-K173 WeakPolarHBondContact O-CB 3.48Å; Q169-K173 PolarHBondContact O-N 3.09Å; Q170-K173 PolarHBondContact O-N 3.46Å; Y171-K173 VanDerWaalsContact C-N 3.31Å; Y171-K173 PolarHBondContact O-N 3.46Å; K173-G176 PolarHBondContact O-N 2.71Å; K173-Y177 PolarHBondContact O-N 2.79Å; K173-Y177 VanDerWaalsContact O-N 3.08Å |
| 174 | Q | 94.8 | Very high | 91.3 | Very high | 39 Ų | 39 | 69.6 Ų | 69.6 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.7 | -35.9 | 177.6 | -67.6 | -66.9 | 17.4 | 0 | 0 | 112.7 | Q170 Y171 G176 Y177 A178 L241 K242 D243 | Q170-Q174 WeakPolarHBondContact O-CG 3.44Å; Q170-Q174 PolarHBondContact O-N 2.92Å; Y171-Q174 PolarHBondContact O-N 3.44Å; Q174-G176 PolarHBondContact O-N 3.47Å; Q174-Y177 PolarHBondContact O-N 3.17Å; Q174-A178 WeakPolarHBondContact O-CB 3.22Å; Q174-A178 PolarHBondContact O-N 2.8Å; Q174-L241 HydrophobicContact CB-CD2 4.14Å; Q174-K242 PolarHBondContact NE2-O 3.46Å; Q174-K242 VanDerWaalsContact NE2-O 3.14Å; Q174-D243 WeakPolarHBondContact CG-O 3.36Å |
| 175 | A | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y171 N172 A178 R179 R225 | Y171-A175 WeakPolarHBondContact O-CB 3.27Å; Y171-A175 PolarHBondContact O-N 3.01Å; N172-A175 PolarHBondContact O-N 2.75Å; A175-A178 PolarHBondContact O-N 2.92Å; A175-R179 VanDerWaalsContact O-CB 3.24Å; A175-R179 WeakPolarHBondContact O-CB 3.27Å; A175-R179 PolarHBondContact O-N 3.28Å; A175-R225 WeakPolarHBondContact CA-O 3.43Å |
| 176 | G | 94.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 69.9 Ų | 69.9 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N172 K173 Q174 S180 | N172-G176 PolarHBondContact O-N 2.65Å; K173-G176 PolarHBondContact O-N 2.71Å; Q174-G176 PolarHBondContact O-N 3.47Å; G176-S180 VanDerWaalsContact O-CB 3.23Å; G176-S180 WeakPolarHBondContact O-CB 3.49Å; G176-S180 PolarHBondContact O-N 2.85Å |
| 177 | Y | 95.6 | Very high | 93.2 | Very high | 112 Ų | 112 | 68.2 Ų | 68.2 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 174.1 | 174.5 | -102.5 | 0 | 0 | 0 | 112.4 | K173 Q174 S180 Y181 Y227 L241 | K173-Y177 PolarHBondContact O-N 2.79Å; K173-Y177 VanDerWaalsContact O-N 3.08Å; Q174-Y177 PolarHBondContact O-N 3.17Å; Y177-S180 PolarHBondContact O-N 2.75Å; Y177-Y181 WeakPolarHBondContact O-CB 3.24Å; Y177-Y181 PolarHBondContact O-N 2.7Å; Y177-Y227 HydrophobicContact CE1-CE1 4.28Å; Y177-Y227 WeakPolarHBondContact CE1-OH 3.35Å; Y177-L241 HydrophobicContact CD1-CD1 3.85Å; Y177-L241 HydrophobicContact CD1-CD2 4.06Å; Y177-L241 HydrophobicContact CE1-CD1 3.74Å |
| 178 | A | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -52 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q174 A175 S180 Y181 I182 I224 Y227 L241 | Q174-A178 WeakPolarHBondContact O-CB 3.22Å; Q174-A178 PolarHBondContact O-N 2.8Å; A175-A178 PolarHBondContact O-N 2.92Å; A178-S180 VanDerWaalsContact C-N 3.34Å; A178-S180 PolarHBondContact O-N 2.83Å; A178-Y181 PolarHBondContact O-N 2.82Å; A178-I182 HydrophobicContact CB-CD1 4.48Å; A178-I182 WeakPolarHBondContact O-CB 3.39Å; A178-I182 WeakPolarHBondContact O-CD1 3.25Å; A178-I182 VanDerWaalsContact O-CG1 3.3Å; A178-I182 WeakPolarHBondContact O-CG1 3.2Å; A178-I182 PolarHBondContact O-N 2.9Å; A178-I224 HydrophobicContact CB-CG2 3.93Å; A178-Y227 HydrophobicContact CB-CD1 3.81Å; A178-Y227 HydrophobicContact CB-CE1 4.19Å; A178-L241 HydrophobicContact CB-CD2 3.9Å |
| 179 | R | 95.8 | Very high | 93.8 | Very high | 89 Ų | 89 | 67.3 Ų | 67.3 | 34% | 0.336 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 177 | -165.7 | -179.6 | -56 | -168.6 | 3.4 | 111.2 | A175 N183 E223 I224 | A175-R179 VanDerWaalsContact O-CB 3.24Å; A175-R179 WeakPolarHBondContact O-CB 3.27Å; A175-R179 PolarHBondContact O-N 3.28Å; R179-N183 VanDerWaalsContact O-CB 3.25Å; R179-N183 WeakPolarHBondContact O-CB 3.25Å; R179-N183 PolarHBondContact O-N 3.43Å; R179-N183 VanDerWaalsContact O-N 3.15Å; R179-E223 IonicContact CZ-OE1 3.5Å; R179-E223 IonicContact NH1-OE1 2.88Å; R179-E223 PolarHBondContact NH1-OE1 2.97Å; R179-E223 IonicContact NH2-OE1 3.86Å; R179-E223 PolarHBondContact NH2-OE1 3.31Å; R179-I224 HydrophobicContact CB-CB 4.46Å |
| 180 | S | 94.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 66 Ų | 66 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 113.1 | G176 Y177 A178 R184 | G176-S180 VanDerWaalsContact O-CB 3.23Å; G176-S180 WeakPolarHBondContact O-CB 3.49Å; G176-S180 PolarHBondContact O-N 2.85Å; Y177-S180 PolarHBondContact O-N 2.75Å; A178-S180 VanDerWaalsContact C-N 3.34Å; A178-S180 PolarHBondContact O-N 2.83Å; S180-R184 PolarHBondContact O-NE 2.87Å; S180-R184 PolarHBondContact O-NH2 2.84Å; S180-R184 PolarHBondContact OG-NH2 3.47Å |
| 181 | Y | 95.9 | Very high | 93.7 | Very high | 40 Ų | 40 | 62.4 Ų | 62.4 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -53.9 | 180 | 179.9 | -117.8 | 0 | 0 | 0 | 110.8 | Y177 A178 N183 R184 L185 N208 V214 Y227 | Y177-Y181 WeakPolarHBondContact O-CB 3.24Å; Y177-Y181 PolarHBondContact O-N 2.7Å; A178-Y181 PolarHBondContact O-N 2.82Å; Y181-N183 PolarHBondContact O-N 2.83Å; Y181-R184 PolarHBondContact O-N 2.78Å; Y181-L185 HydrophobicContact CD1-CD1 4.32Å; Y181-L185 HydrophobicContact CE1-CD1 3.91Å; Y181-L185 HydrophobicContact CE2-CD1 4.43Å; Y181-N208 PolarHBondContact OH-ND2 3.29Å; Y181-V214 HydrophobicContact CD1-CG1 4.35Å; Y181-V214 HydrophobicContact CE1-CG1 3.96Å; Y181-V214 HydrophobicContact CE1-CG2 4.18Å; Y181-Y227 HydrophobicContact CD1-CD1 4.2Å; Y181-Y227 AromaticContact CD1-CE1 3.58Å; Y181-Y227 HydrophobicContact CD1-CE1 3.58Å; Y181-Y227 HydrophobicContact CD1-CE2 4.13Å; Y181-Y227 AromaticContact CD1-CZ 3.53Å; Y181-Y227 HydrophobicContact CE1-CE1 4.24Å; Y181-Y227 AromaticContact CE1-CE2 3.95Å; Y181-Y227 HydrophobicContact CE1-CE2 3.95Å; Y181-Y227 AromaticContact CE1-CZ 3.74Å; Y181-Y227 HydrophobicContact CG-CE1 4.35Å |
| 182 | I | 95 | Very high | 93.7 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | -173.7 | -65.6 | 159.3 | 0 | 0 | 0 | 112 | A178 R184 L185 R206 V214 P216 I224 Y227 | A178-I182 HydrophobicContact CB-CD1 4.48Å; A178-I182 WeakPolarHBondContact O-CB 3.39Å; A178-I182 WeakPolarHBondContact O-CD1 3.25Å; A178-I182 VanDerWaalsContact O-CG1 3.3Å; A178-I182 WeakPolarHBondContact O-CG1 3.2Å; A178-I182 PolarHBondContact O-N 2.9Å; I182-R184 PolarHBondContact O-N 3.41Å; I182-R184 VanDerWaalsContact O-N 3.13Å; I182-L185 PolarHBondContact O-N 2.89Å; I182-L185 VanDerWaalsContact O-N 3.1Å; I182-R206 HydrophobicContact CG2-CG 3.87Å; I182-V214 HydrophobicContact CG1-CG1 4.11Å; I182-P216 HydrophobicContact CD1-CB 3.95Å; I182-P216 HydrophobicContact CG2-CB 4.44Å; I182-I224 HydrophobicContact CB-CD1 4.47Å; I182-I224 HydrophobicContact CD1-CD1 4.37Å; I182-I224 HydrophobicContact CD1-CG2 3.74Å; I182-I224 HydrophobicContact CG2-CD1 4.14Å; I182-Y227 HydrophobicContact CD1-CD1 3.9Å; I182-Y227 HydrophobicContact CD1-CG 4.18Å; I182-Y227 HydrophobicContact CG1-CD1 4.31Å |
| 183 | N | 92.7 | Very high | 93.8 | Very high | 111 Ų | 111 | 65.3 Ų | 65.3 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -9.8 | 178.7 | -70.8 | 1.5 | 0 | 0 | 0 | 113.8 | R179 Y181 | R179-N183 VanDerWaalsContact O-CB 3.25Å; R179-N183 WeakPolarHBondContact O-CB 3.25Å; R179-N183 PolarHBondContact O-N 3.43Å; R179-N183 VanDerWaalsContact O-N 3.15Å; Y181-N183 PolarHBondContact O-N 2.83Å |
| 184 | R | 94.8 | Very high | 93.8 | Very high | 171 Ų | 171 | 57.5 Ų | 57.5 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -4.7 | 174 | -75.8 | 178.8 | -75.6 | 160.9 | -7.4 | 113.9 | S180 Y181 I182 | S180-R184 PolarHBondContact O-NE 2.87Å; S180-R184 PolarHBondContact O-NH2 2.84Å; S180-R184 PolarHBondContact OG-NH2 3.47Å; Y181-R184 PolarHBondContact O-N 2.78Å; I182-R184 PolarHBondContact O-N 3.41Å; I182-R184 VanDerWaalsContact O-N 3.13Å |
| 185 | L | 96 | Very high | 93.7 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -101.4 | 141.6 | -176.3 | -60.7 | -177.6 | 0 | 0 | 0 | 111.8 | Y181 I182 R206 N208 V214 | Y181-L185 HydrophobicContact CD1-CD1 4.32Å; Y181-L185 HydrophobicContact CE1-CD1 3.91Å; Y181-L185 HydrophobicContact CE2-CD1 4.43Å; I182-L185 PolarHBondContact O-N 2.89Å; I182-L185 VanDerWaalsContact O-N 3.1Å; L185-R206 HydrophobicContact CB-CB 3.57Å; L185-R206 HydrophobicContact CB-CG 4.01Å; L185-R206 HydrophobicContact CD1-CB 4.14Å; L185-R206 WeakPolarHBondContact O-CD 3.44Å; L185-N208 HydrophobicContact CD1-CB 3.85Å; L185-N208 HydrophobicContact CD2-CB 4.04Å; L185-V214 HydrophobicContact CD1-CB 4.08Å; L185-V214 HydrophobicContact CD1-CG1 4.4Å; L185-V214 HydrophobicContact CD1-CG2 3.64Å |
| 186 | P | 95.3 | Very high | 93.6 | Very high | 86 Ų | 86 | 68.3 Ų | 68.3 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 151.5 | 174 | 29.8 | -36.5 | 0 | 0 | 0 | 111.7 | A188 R206 L207 | P186-A188 PolarHBondContact O-N 2.75Å; P186-R206 CarbonylContact O-C 3.55Å; P186-R206 WeakPolarHBondContact O-CA 3.26Å; P186-R206 WeakPolarHBondContact O-CB 3.49Å; P186-R206 WeakPolarHBondContact O-CD 3.48Å; P186-L207 WeakPolarHBondContact CD-O 3.33Å; P186-L207 PolarHBondContact O-N 3.35Å |
| 187 | Q | 95.6 | Very high | 93.5 | Very high | 70 Ų | 70 | 68.3 Ų | 68.3 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -56.5 | 133.6 | 167.7 | 173.1 | 61.6 | 41.4 | 0 | 0 | 110 | A202 V205 | Q187-A202 PolarHBondContact NE2-O 3.35Å; Q187-V205 PolarHBondContact NE2-O 2.88Å; Q187-V205 VanDerWaalsContact NE2-O 3.14Å; Q187-V205 PolarHBondContact OE1-O 3.14Å; Q187-V205 VanDerWaalsContact OE1-O 3.13Å |
| 188 | A | 93.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 137.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P186 A201 V205 L207 L213 | P186-A188 PolarHBondContact O-N 2.75Å; A188-A201 HydrophobicContact CB-CB 3.89Å; A188-A201 WeakPolarHBondContact O-CB 3.38Å; A188-V205 HydrophobicContact CB-CG1 4.12Å; A188-V205 PolarHBondContact N-O 3.02Å; A188-L207 HydrophobicContact CB-CB 4.28Å; A188-L213 HydrophobicContact CB-CD2 3.75Å |
| 189 | T | 87.5 | Confident | 93.2 | Very high | 128 Ų | 128 | 65.8 Ų | 65.8 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | trans | -124.6 | -37.6 | 179.2 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 190 | A | 85.2 | Confident | 93 | Very high | 70 Ų | 70 | 70.7 Ų | 70.7 | 58% | 0.579 | 37% | 0.365 | S | S | * | . | trans | -143.1 | 146.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 191 | H | 92.2 | Very high | 92.9 | Very high | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | trans | -162.3 | 145 | 175.7 | -175.8 | -96.9 | 0 | 0 | 0 | 110 | Y193 L194 T195 N211 L213 P231 V232 | H191-Y193 VanDerWaalsContact C-N 3.31Å; H191-Y193 WeakPolarHBondContact CE1-CB 3.35Å; H191-Y193 WeakPolarHBondContact ND1-CB 3.42Å; H191-Y193 PolarHBondContact ND1-N 3.24Å; H191-Y193 VanDerWaalsContact ND1-N 3.18Å; H191-Y193 PolarHBondContact O-N 3.34Å; H191-L194 HydrophobicContact CB-CD1 3.94Å; H191-L194 HydrophobicContact CB-CG 4.1Å; H191-L194 WeakPolarHBondContact O-CB 3.34Å; H191-L194 PolarHBondContact O-N 3.24Å; H191-T195 PolarHBondContact O-N 2.92Å; H191-T195 VanDerWaalsContact O-N 3.09Å; H191-T195 PolarHBondContact O-OG1 2.87Å; H191-N211 PolarHBondContact CD2-OD1 2.86Å; H191-N211 CovalentContact NE2-O 1.8Å; H191-N211 PolarHBondContact NE2-O 3Å; H191-L213 HydrophobicContact CB-CD1 4.43Å; H191-L213 HydrophobicContact CB-CD2 3.77Å; H191-L213 HydrophobicContact CB-CG 4.2Å; H191-P231 PolarHBondContact CE1-O 3.39Å; H191-V232 WeakPolarHBondContact CE1-CA 3.45Å; H191-V232 PolarHBondContact CE1-N 3.23Å; H191-V232 WeakPolarHBondContact NE2-CG2 3.4Å | ||
| 192 | E | 93.2 | Very high | 92.8 | Very high | 116 Ų | 116 | 67.5 Ų | 67.5 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -33.3 | -172.5 | -69.9 | 163.2 | -125.7 | 0 | 0 | 113.8 | R196 V232 | E192-R196 VanDerWaalsContact O-CB 3.27Å; E192-R196 WeakPolarHBondContact O-CB 3.28Å; E192-R196 PolarHBondContact O-N 2.83Å; E192-V232 HydrophobicContact CB-CG1 3.96Å; E192-V232 HydrophobicContact CB-CG2 4.38Å; E192-V232 VanDerWaalsContact OE2-CG1 3.29Å; E192-V232 WeakPolarHBondContact OE2-CG1 3.24Å |
| 193 | Y | 93.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 73 Ų | 73 | 10% | 0.102 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 173.6 | 167.1 | -95.7 | 0 | 0 | 0 | 111.6 | H191 R196 K197 L213 I230 Y268 | H191-Y193 VanDerWaalsContact C-N 3.31Å; H191-Y193 WeakPolarHBondContact CE1-CB 3.35Å; H191-Y193 WeakPolarHBondContact ND1-CB 3.42Å; H191-Y193 PolarHBondContact ND1-N 3.24Å; H191-Y193 VanDerWaalsContact ND1-N 3.18Å; H191-Y193 PolarHBondContact O-N 3.34Å; Y193-R196 PolarHBondContact O-N 2.88Å; Y193-K197 HydrophobicContact CE2-CG 4.08Å; Y193-K197 WeakPolarHBondContact O-CB 3.35Å; Y193-K197 PolarHBondContact O-N 2.93Å; Y193-L213 HydrophobicContact CD1-CD1 3.72Å; Y193-L213 HydrophobicContact CE1-CD1 4.44Å; Y193-I230 HydrophobicContact CD1-CG2 4.05Å; Y193-I230 HydrophobicContact CD2-CG2 4.09Å; Y193-I230 HydrophobicContact CE1-CD1 4.23Å; Y193-I230 HydrophobicContact CE1-CG2 4.09Å; Y193-I230 HydrophobicContact CE2-CG2 4.14Å; Y193-I230 HydrophobicContact CG-CG2 4.05Å; Y193-Y268 HydrophobicContact CE1-CD1 4.31Å |
| 194 | L | 93.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 178.8 | -60.6 | 174.9 | 0 | 0 | 0 | 111.2 | H191 R196 K197 G198 I199 A201 L213 Y268 | H191-L194 HydrophobicContact CB-CD1 3.94Å; H191-L194 HydrophobicContact CB-CG 4.1Å; H191-L194 WeakPolarHBondContact O-CB 3.34Å; H191-L194 PolarHBondContact O-N 3.24Å; L194-R196 PolarHBondContact O-N 3.14Å; L194-K197 CarbonylContact O-C 3.53Å; L194-K197 PolarHBondContact O-N 2.9Å; L194-G198 PolarHBondContact O-N 2.89Å; L194-I199 HydrophobicContact CB-CG1 4.41Å; L194-I199 WeakPolarHBondContact CB-O 3.28Å; L194-I199 HydrophobicContact CD2-CD1 4.06Å; L194-I199 HydrophobicContact CD2-CG1 3.99Å; L194-I199 PolarHBondContact O-N 3.39Å; L194-A201 HydrophobicContact CD1-CB 3.69Å; L194-L213 HydrophobicContact CD1-CD1 4.32Å; L194-L213 HydrophobicContact CD1-CD2 4.1Å; L194-L213 HydrophobicContact CD2-CD1 3.89Å; L194-L213 HydrophobicContact CG-CD1 3.87Å; L194-Y268 HydrophobicContact CD2-CD1 4.38Å; L194-Y268 HydrophobicContact CD2-CE1 3.56Å |
| 195 | T | 92.7 | Very high | 92.4 | Very high | 110 Ų | 110 | 60.4 Ų | 60.4 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 175.2 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | H191 K197 G198 | H191-T195 PolarHBondContact O-N 2.92Å; H191-T195 VanDerWaalsContact O-N 3.09Å; H191-T195 PolarHBondContact O-OG1 2.87Å; T195-K197 PolarHBondContact O-N 2.71Å; T195-G198 PolarHBondContact O-N 3.47Å |
| 196 | R | 93 | Very high | 92.4 | Very high | 158 Ų | 158 | 61.9 Ų | 61.9 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.3 | -32.2 | 179.8 | 178.1 | 165.2 | 56.7 | 121.6 | -2.1 | 113.4 | E192 Y193 L194 V232 T233 | E192-R196 VanDerWaalsContact O-CB 3.27Å; E192-R196 WeakPolarHBondContact O-CB 3.28Å; E192-R196 PolarHBondContact O-N 2.83Å; Y193-R196 PolarHBondContact O-N 2.88Å; L194-R196 PolarHBondContact O-N 3.14Å; R196-V232 PolarHBondContact NH2-O 2.87Å; R196-T233 VanDerWaalsContact NH2-C 3.27Å; R196-T233 PolarHBondContact NH2-O 3.17Å |
| 197 | K | 93.3 | Very high | 92.5 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 9.3 | 175.4 | -83.6 | -80.8 | -176.7 | 173.6 | 0 | 113 | Y193 L194 T195 I199 A269 D353 N355 D356 | Y193-K197 HydrophobicContact CE2-CG 4.08Å; Y193-K197 WeakPolarHBondContact O-CB 3.35Å; Y193-K197 PolarHBondContact O-N 2.93Å; L194-K197 CarbonylContact O-C 3.53Å; L194-K197 PolarHBondContact O-N 2.9Å; T195-K197 PolarHBondContact O-N 2.71Å; K197-I199 HydrophobicContact CB-CD1 4.03Å; K197-I199 HydrophobicContact CB-CG1 4.16Å; K197-I199 WeakPolarHBondContact O-CG2 3.48Å; K197-I199 PolarHBondContact O-N 2.96Å; K197-A269 HydrophobicContact CB-CB 4.24Å; K197-A269 HydrophobicContact CD-CB 3.93Å; K197-A269 HydrophobicContact CG-CB 4.22Å; K197-D353 IonicContact NZ-OD1 2.78Å; K197-D353 PolarHBondContact NZ-OD1 3.31Å; K197-D353 IonicContact NZ-OD2 3.67Å; K197-D353 PolarHBondContact NZ-OD2 2.97Å; K197-N355 WeakPolarHBondContact CD-OD1 3.41Å; K197-N355 WeakPolarHBondContact CE-OD1 3.39Å; K197-N355 PolarHBondContact NZ-OD1 3.37Å; K197-N355 PolarHBondContact O-ND2 3.2Å; K197-D356 IonicContact NZ-OD1 2.98Å; K197-D356 PolarHBondContact NZ-OD1 3.41Å |
| 198 | G | 91.7 | Very high | 92.4 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 19.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | L194 T195 R363 | L194-G198 PolarHBondContact O-N 2.89Å; T195-G198 PolarHBondContact O-N 3.47Å; G198-R363 PolarHBondContact O-NH2 3.04Å |
| 199 | I | 93.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | trans | -128.2 | 165.7 | -166.3 | 55 | -179.9 | 0 | 0 | 0 | 112.6 | L194 K197 Y268 A269 A272 | L194-I199 HydrophobicContact CB-CG1 4.41Å; L194-I199 WeakPolarHBondContact CB-O 3.28Å; L194-I199 HydrophobicContact CD2-CD1 4.06Å; L194-I199 HydrophobicContact CD2-CG1 3.99Å; L194-I199 PolarHBondContact O-N 3.39Å; K197-I199 HydrophobicContact CB-CD1 4.03Å; K197-I199 HydrophobicContact CB-CG1 4.16Å; K197-I199 WeakPolarHBondContact O-CG2 3.48Å; K197-I199 PolarHBondContact O-N 2.96Å; I199-Y268 HydrophobicContact CD1-CD1 3.91Å; I199-Y268 HydrophobicContact CD1-CE1 3.76Å; I199-A269 HydrophobicContact CD1-CB 3.73Å; I199-A272 HydrophobicContact CB-CB 4.03Å; I199-A272 HydrophobicContact CD1-CB 4.05Å; I199-A272 HydrophobicContact CG2-CB 3.88Å | ||
| 200 | R | 92 | Very high | 92.6 | Very high | 191 Ų | 191 | 64.9 Ų | 64.9 | 72% | 0.721 | 34% | 0.341 | S | S | * | . | trans | -99.4 | 164.9 | 178.9 | -58.8 | 177.1 | -176.7 | 178.9 | 2.9 | 112.1 | A202 Y268 E276 | R200-A202 PolarHBondContact O-N 3.42Å; R200-Y268 PolarHBondContact O-OH 2.91Å; R200-E276 VanDerWaalsContact CB-OE1 3.31Å; R200-E276 WeakPolarHBondContact CB-OE1 3.24Å; R200-E276 WeakPolarHBondContact CG-OE1 3.37Å; R200-E276 PolarHBondContact N-OE1 2.85Å | ||
| 201 | A | 92.3 | Very high | 93 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | trans | -79.4 | 115.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A188 L194 | A188-A201 HydrophobicContact CB-CB 3.89Å; A188-A201 WeakPolarHBondContact O-CB 3.38Å; L194-A201 HydrophobicContact CD1-CB 3.69Å | ||
| 202 | A | 92.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | trans | -69 | 150.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q187 R200 G204 V205 F251 F253 Y268 | Q187-A202 PolarHBondContact NE2-O 3.35Å; R200-A202 PolarHBondContact O-N 3.42Å; A202-G204 PolarHBondContact O-N 3.08Å; A202-V205 HydrophobicContact CB-CG2 4.07Å; A202-V205 WeakPolarHBondContact O-CB 3.01Å; A202-V205 WeakPolarHBondContact O-CG2 3.47Å; A202-V205 PolarHBondContact O-N 3.35Å; A202-V205 VanDerWaalsContact O-N 3.1Å; A202-F251 HydrophobicContact CB-CE1 3.8Å; A202-F251 HydrophobicContact CB-CZ 3.8Å; A202-F253 HydrophobicContact CB-CD1 3.74Å; A202-F253 HydrophobicContact CB-CE1 3.62Å; A202-F253 HydrophobicContact CB-CZ 4.49Å; A202-Y268 HydrophobicContact CB-CE2 4.47Å; A202-Y268 PolarHBondContact N-OH 3.36Å | ||
| 203 | P | 89.5 | Confident | 93.4 | Very high | 116 Ų | 116 | 59.7 Ų | 59.7 | 75% | 0.753 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 129.2 | 171.4 | -24.3 | 34.5 | 0 | 0 | 0 | 111.1 | ||
| 204 | G | 90.1 | Very high | 93.5 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.2 | -30.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | A202 R206 P216 | A202-G204 PolarHBondContact O-N 3.08Å; G204-R206 VanDerWaalsContact CA-NH1 3.34Å; G204-R206 PolarHBondContact O-N 2.83Å; G204-P216 WeakPolarHBondContact O-CD 3.16Å |
| 205 | V | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -65.6 | 128.5 | 173.2 | -175 | 0 | 0 | 0 | 0 | 109.5 | Q187 A188 A202 L213 I215 F251 Y268 | Q187-V205 PolarHBondContact NE2-O 2.88Å; Q187-V205 VanDerWaalsContact NE2-O 3.14Å; Q187-V205 PolarHBondContact OE1-O 3.14Å; Q187-V205 VanDerWaalsContact OE1-O 3.13Å; A188-V205 HydrophobicContact CB-CG1 4.12Å; A188-V205 PolarHBondContact N-O 3.02Å; A202-V205 HydrophobicContact CB-CG2 4.07Å; A202-V205 WeakPolarHBondContact O-CB 3.01Å; A202-V205 WeakPolarHBondContact O-CG2 3.47Å; A202-V205 PolarHBondContact O-N 3.35Å; A202-V205 VanDerWaalsContact O-N 3.1Å; V205-L213 HydrophobicContact CG1-CB 4.39Å; V205-L213 HydrophobicContact CG1-CD2 4.07Å; V205-I215 HydrophobicContact CG1-CG1 4.16Å; V205-I215 HydrophobicContact CG2-CG1 4.32Å; V205-F251 HydrophobicContact CG2-CE1 4.15Å; V205-F251 HydrophobicContact CG2-CE2 4.36Å; V205-F251 HydrophobicContact CG2-CZ 3.75Å; V205-Y268 HydrophobicContact CG2-CE2 3.56Å | ||
| 206 | R | 96.5 | Very high | 93.9 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 164.8 | 179.9 | -53 | -53.7 | -168.4 | -133.6 | -3.6 | 112 | I182 L185 P186 G204 L213 V214 | I182-R206 HydrophobicContact CG2-CG 3.87Å; L185-R206 HydrophobicContact CB-CB 3.57Å; L185-R206 HydrophobicContact CB-CG 4.01Å; L185-R206 HydrophobicContact CD1-CB 4.14Å; L185-R206 WeakPolarHBondContact O-CD 3.44Å; P186-R206 CarbonylContact O-C 3.55Å; P186-R206 WeakPolarHBondContact O-CA 3.26Å; P186-R206 WeakPolarHBondContact O-CB 3.49Å; P186-R206 WeakPolarHBondContact O-CD 3.48Å; G204-R206 VanDerWaalsContact CA-NH1 3.34Å; G204-R206 PolarHBondContact O-N 2.83Å; R206-L213 CarbonylContact O-C 3.53Å; R206-L213 WeakPolarHBondContact O-CA 3.44Å; R206-V214 HydrophobicContact CB-CB 4.32Å; R206-V214 PolarHBondContact N-O 2.6Å; R206-V214 PolarHBondContact O-N 3.34Å |
| 207 | L | 96.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 46 Ų | 46 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.9 | 169.9 | -171.1 | 69.1 | 0 | 0 | 0 | 109.5 | P186 A188 L213 | P186-L207 WeakPolarHBondContact CD-O 3.33Å; P186-L207 PolarHBondContact O-N 3.35Å; A188-L207 HydrophobicContact CB-CB 4.28Å; L207-L213 HydrophobicContact CD1-CD2 4.32Å |
| 208 | N | 94.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | trans | -100.4 | 172.5 | 176.5 | 80.3 | 12.8 | 0 | 0 | 0 | 113.6 | Y181 L185 K210 N211 E212 V214 | Y181-N208 PolarHBondContact OH-ND2 3.29Å; L185-N208 HydrophobicContact CD1-CB 3.85Å; L185-N208 HydrophobicContact CD2-CB 4.04Å; N208-K210 PolarHBondContact O-N 3.38Å; N208-K210 WeakPolarHBondContact OD1-CA 3.12Å; N208-K210 WeakPolarHBondContact OD1-CB 3.16Å; N208-K210 PolarHBondContact OD1-N 3.31Å; N208-N211 PolarHBondContact O-N 3.34Å; N208-E212 PolarHBondContact N-O 2.85Å; N208-E212 PolarHBondContact ND2-OE2 3.33Å; N208-E212 WeakPolarHBondContact OD1-CB 3.49Å; N208-E212 PolarHBondContact OD1-N 2.82Å; N208-E212 VanDerWaalsContact OD1-N 3.07Å; N208-E212 PolarHBondContact OD1-O 3Å; N208-V214 HydrophobicContact CB-CG2 3.94Å | ||
| 209 | N | 92.4 | Very high | 94.2 | Very high | 152 Ų | 152 | 44.5 Ų | 44.5 | 81% | 0.813 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 0.7 | -178.6 | 68.6 | -30.8 | 0 | 0 | 0 | 115.2 | ||
| 210 | K | 92.7 | Very high | 93.9 | Very high | 147 Ų | 147 | 45.7 Ų | 45.7 | 64% | 0.639 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 5.8 | 171.5 | -64.8 | -173.7 | 172.3 | -170.2 | 0 | 113.2 | N208 E212 | N208-K210 PolarHBondContact O-N 3.38Å; N208-K210 WeakPolarHBondContact OD1-CA 3.12Å; N208-K210 WeakPolarHBondContact OD1-CB 3.16Å; N208-K210 PolarHBondContact OD1-N 3.31Å; K210-E212 VanDerWaalsContact C-N 3.25Å; K210-E212 HydrophobicContact CB-CG 3.94Å; K210-E212 PolarHBondContact O-N 2.79Å |
| 211 | N | 93.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 31% | 0.31 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 57.9 | 37.9 | -168 | -158.7 | 33.9 | 0 | 0 | 0 | 112.3 | H191 N208 | H191-N211 PolarHBondContact CD2-OD1 2.86Å; H191-N211 CovalentContact NE2-O 1.8Å; H191-N211 PolarHBondContact NE2-O 3Å; N208-N211 PolarHBondContact O-N 3.34Å |
| 212 | E | 95.7 | Very high | 93.5 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | trans | -100.7 | 135.4 | 166.4 | -52.1 | 164.8 | 153.1 | 0 | 0 | 108.6 | N208 K210 R229 I230 P231 | N208-E212 PolarHBondContact N-O 2.85Å; N208-E212 PolarHBondContact ND2-OE2 3.33Å; N208-E212 WeakPolarHBondContact OD1-CB 3.49Å; N208-E212 PolarHBondContact OD1-N 2.82Å; N208-E212 VanDerWaalsContact OD1-N 3.07Å; N208-E212 PolarHBondContact OD1-O 3Å; K210-E212 VanDerWaalsContact C-N 3.25Å; K210-E212 HydrophobicContact CB-CG 3.94Å; K210-E212 PolarHBondContact O-N 2.79Å; E212-R229 IonicContact OE1-NH1 3.67Å; E212-R229 PolarHBondContact OE1-NH1 2.86Å; E212-R229 WeakPolarHBondContact OE2-CD 3.39Å; E212-R229 IonicContact OE2-CZ 2.71Å; E212-R229 IonicContact OE2-NE 2.75Å; E212-R229 IonicContact OE2-NH1 3.56Å; E212-R229 PolarHBondContact OE2-NH1 3.35Å; E212-I230 CarbonylContact C-O 3.47Å; E212-I230 WeakPolarHBondContact CA-O 3.33Å; E212-P231 HydrophobicContact CG-CB 4.27Å | ||
| 213 | L | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 145.5 | 165.1 | -64.2 | 168 | 0 | 0 | 0 | 109.2 | A188 H191 Y193 L194 V205 R206 L207 R229 I230 | A188-L213 HydrophobicContact CB-CD2 3.75Å; H191-L213 HydrophobicContact CB-CD1 4.43Å; H191-L213 HydrophobicContact CB-CD2 3.77Å; H191-L213 HydrophobicContact CB-CG 4.2Å; Y193-L213 HydrophobicContact CD1-CD1 3.72Å; Y193-L213 HydrophobicContact CE1-CD1 4.44Å; L194-L213 HydrophobicContact CD1-CD1 4.32Å; L194-L213 HydrophobicContact CD1-CD2 4.1Å; L194-L213 HydrophobicContact CD2-CD1 3.89Å; L194-L213 HydrophobicContact CG-CD1 3.87Å; V205-L213 HydrophobicContact CG1-CB 4.39Å; V205-L213 HydrophobicContact CG1-CD2 4.07Å; R206-L213 CarbonylContact O-C 3.53Å; R206-L213 WeakPolarHBondContact O-CA 3.44Å; L207-L213 HydrophobicContact CD1-CD2 4.32Å; L213-R229 CarbonylContact O-C 3.53Å; L213-R229 WeakPolarHBondContact O-CA 3.26Å; L213-I230 HydrophobicContact CB-CB 4.32Å; L213-I230 PolarHBondContact N-O 2.77Å; L213-I230 PolarHBondContact O-N 2.87Å |
| 214 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 109.6 | 175.6 | -169.4 | 0 | 0 | 0 | 0 | 108.8 | Y181 I182 L185 R206 N208 Y227 Q228 R229 | Y181-V214 HydrophobicContact CD1-CG1 4.35Å; Y181-V214 HydrophobicContact CE1-CG1 3.96Å; Y181-V214 HydrophobicContact CE1-CG2 4.18Å; I182-V214 HydrophobicContact CG1-CG1 4.11Å; L185-V214 HydrophobicContact CD1-CB 4.08Å; L185-V214 HydrophobicContact CD1-CG1 4.4Å; L185-V214 HydrophobicContact CD1-CG2 3.64Å; R206-V214 HydrophobicContact CB-CB 4.32Å; R206-V214 PolarHBondContact N-O 2.6Å; R206-V214 PolarHBondContact O-N 3.34Å; N208-V214 HydrophobicContact CB-CG2 3.94Å; V214-Y227 HydrophobicContact CG1-CD2 3.79Å; V214-Y227 HydrophobicContact CG1-CE2 4.44Å; V214-Y227 HydrophobicContact CG1-CG 3.96Å; V214-Q228 WeakPolarHBondContact CA-O 3.1Å; V214-R229 HydrophobicContact CG1-CG 4.42Å; V214-R229 HydrophobicContact CG2-CG 4.2Å |
| 215 | I | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.8 | -178.4 | -59.8 | 158 | 0 | 0 | 0 | 107.7 | V205 F217 Y227 Q228 I230 F251 Y268 M284 | V205-I215 HydrophobicContact CG1-CG1 4.16Å; V205-I215 HydrophobicContact CG2-CG1 4.32Å; I215-F217 HydrophobicContact CG2-CD1 4.41Å; I215-F217 HydrophobicContact CG2-CE1 3.88Å; I215-Y227 CarbonylContact O-C 3.55Å; I215-Y227 WeakPolarHBondContact O-CA 3.15Å; I215-Y227 WeakPolarHBondContact O-CB 3.45Å; I215-Q228 PolarHBondContact N-O 3.45Å; I215-Q228 PolarHBondContact O-N 2.82Å; I215-I230 HydrophobicContact CD1-CD1 3.5Å; I215-I230 VanDerWaalsContact CD1-CD1 3.5Å; I215-I230 HydrophobicContact CD1-CG1 4.08Å; I215-F251 HydrophobicContact CG2-CB 3.72Å; I215-F251 HydrophobicContact CG2-CD1 4Å; I215-F251 HydrophobicContact CG2-CD2 3.83Å; I215-F251 HydrophobicContact CG2-CE2 4.48Å; I215-F251 HydrophobicContact CG2-CG 3.55Å; I215-Y268 HydrophobicContact CD1-CD2 3.45Å; I215-Y268 VanDerWaalsContact CD1-CD2 3.45Å; I215-Y268 HydrophobicContact CD1-CE2 4.25Å; I215-Y268 HydrophobicContact CD1-CG 3.67Å; I215-Y268 HydrophobicContact CG1-CD2 3.92Å; I215-Y268 HydrophobicContact CG1-CE2 4.3Å; I215-Y268 HydrophobicContact CG2-CD2 4.4Å; I215-M284 HydrophobicContact CG2-SD 4.28Å |
| 216 | P | 96.5 | Very high | 94.1 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 145 | 176.4 | 28.3 | -32.1 | 0 | 0 | 0 | 111.2 | I182 G204 I224 F251 | I182-P216 HydrophobicContact CD1-CB 3.95Å; I182-P216 HydrophobicContact CG2-CB 4.44Å; G204-P216 WeakPolarHBondContact O-CD 3.16Å; P216-I224 HydrophobicContact CB-CD1 4.24Å; P216-I224 HydrophobicContact CB-CG1 4.24Å; P216-F251 HydrophobicContact CG-CD2 3.92Å; P216-F251 HydrophobicContact CG-CE2 3.98Å; P216-F251 WeakPolarHBondContact O-CB 3.48Å; P216-F251 WeakPolarHBondContact O-CD2 3.39Å |
| 217 | F | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.4 | 166.8 | -56.3 | -38.5 | 0 | 0 | 0 | 110.1 | I215 R225 S226 Q228 I240 N249 W250 F251 M284 V286 | I215-F217 HydrophobicContact CG2-CD1 4.41Å; I215-F217 HydrophobicContact CG2-CE1 3.88Å; F217-R225 PolarHBondContact O-N 2.96Å; F217-S226 PolarHBondContact N-O 3.43Å; F217-S226 PolarHBondContact O-N 3.02Å; F217-S226 VanDerWaalsContact O-N 3.16Å; F217-Q228 HydrophobicContact CE1-CB 4.39Å; F217-Q228 HydrophobicContact CE2-CB 3.66Å; F217-Q228 HydrophobicContact CZ-CB 3.37Å; F217-Q228 HydrophobicContact CZ-CG 4.49Å; F217-I240 HydrophobicContact CE2-CG1 4.41Å; F217-I240 HydrophobicContact CE2-CG2 4.36Å; F217-N249 HydrophobicContact CB-CB 4.29Å; F217-W250 CarbonylContact C-O 3.54Å; F217-W250 WeakPolarHBondContact CA-O 3.11Å; F217-F251 HydrophobicContact CD1-CB 4.07Å; F217-F251 HydrophobicContact CE1-CB 4.27Å; F217-M284 HydrophobicContact CE1-CE 4.11Å; F217-M284 HydrophobicContact CE1-SD 4.35Å; F217-M284 HydrophobicContact CZ-CE 4.24Å; F217-V286 HydrophobicContact CD1-CG2 3.86Å; F217-V286 HydrophobicContact CD2-CG2 4.05Å; F217-V286 HydrophobicContact CE1-CG1 4.48Å; F217-V286 HydrophobicContact CE1-CG2 3.49Å; F217-V286 VanDerWaalsContact CE1-CG2 3.49Å; F217-V286 HydrophobicContact CE2-CB 4.37Å; F217-V286 HydrophobicContact CE2-CG1 3.7Å; F217-V286 HydrophobicContact CE2-CG2 3.67Å; F217-V286 HydrophobicContact CG-CG2 4.15Å; F217-V286 HydrophobicContact CZ-CB 4.1Å; F217-V286 HydrophobicContact CZ-CG1 3.57Å; F217-V286 HydrophobicContact CZ-CG2 3.37Å |
| 218 | S | 94.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 155.9 | -177 | -74 | 0 | 0 | 0 | 0 | 112.5 | G222 E223 I224 N249 W250 | S218-G222 PolarHBondContact OG-O 2.67Å; S218-G222 VanDerWaalsContact OG-O 3.09Å; S218-E223 CarbonylContact C-O 3.52Å; S218-E223 WeakPolarHBondContact CA-O 3.37Å; S218-E223 WeakPolarHBondContact CB-O 3.46Å; S218-I224 PolarHBondContact OG-N 2.72Å; S218-N249 VanDerWaalsContact O-CA 3.32Å; S218-N249 WeakPolarHBondContact O-CA 3.41Å; S218-N249 WeakPolarHBondContact O-CB 3.3Å; S218-N249 PolarHBondContact O-OD1 3.06Å; S218-W250 PolarHBondContact N-O 3.33Å; S218-W250 PolarHBondContact O-N 3.21Å; S218-W250 VanDerWaalsContact O-N 3.08Å |
| 219 | N | 92.5 | Very high | 94.2 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 16% | 0.16 | 24% | 0.238 | C | C | . | . | trans | -83.5 | 177 | 169.2 | 68.6 | 12.3 | 0 | 0 | 0 | 111.9 | R221 G222 E223 R225 N249 | N219-R221 PolarHBondContact O-N 2.96Å; N219-R221 WeakPolarHBondContact OD1-CA 3.41Å; N219-R221 WeakPolarHBondContact OD1-CB 3.43Å; N219-R221 PolarHBondContact OD1-N 3.2Å; N219-G222 PolarHBondContact O-N 3.23Å; N219-G222 PolarHBondContact OD1-N 3.35Å; N219-E223 PolarHBondContact N-O 2.8Å; N219-E223 PolarHBondContact ND2-OE2 2.92Å; N219-E223 WeakPolarHBondContact OD1-CB 3.22Å; N219-E223 PolarHBondContact OD1-N 2.65Å; N219-R225 HydrophobicContact CB-CG 3.97Å; N219-N249 WeakPolarHBondContact CA-OD1 3.37Å; N219-N249 WeakPolarHBondContact CB-OD1 3.27Å; N219-N249 PolarHBondContact N-OD1 3.14Å | ||
| 220 | G | 87.5 | Confident | 94.3 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 39% | 0.392 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -11.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 221 | R | 88.2 | Confident | 94.4 | Very high | 223 Ų | 223 | 33.4 Ų | 33.4 | 84% | 0.842 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.5 | 173.2 | -57.1 | -178.8 | 179 | -172.9 | -2.1 | 112.5 | N219 E223 | N219-R221 PolarHBondContact O-N 2.96Å; N219-R221 WeakPolarHBondContact OD1-CA 3.41Å; N219-R221 WeakPolarHBondContact OD1-CB 3.43Å; N219-R221 PolarHBondContact OD1-N 3.2Å; R221-E223 HydrophobicContact CB-CG 4.33Å; R221-E223 PolarHBondContact O-N 2.82Å |
| 222 | G | 88.6 | Confident | 94.3 | Very high | 56 Ų | 56 | 32.8 Ų | 32.8 | 58% | 0.577 | 18% | 0.176 | S | C | * | . | S | Bend | trans | 74.4 | 0.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S218 N219 I224 | S218-G222 PolarHBondContact OG-O 2.67Å; S218-G222 VanDerWaalsContact OG-O 3.09Å; N219-G222 PolarHBondContact O-N 3.23Å; N219-G222 PolarHBondContact OD1-N 3.35Å; G222-I224 PolarHBondContact O-N 3.2Å |
| 223 | E | 92.4 | Very high | 94 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | trans | -76.4 | 126.4 | -176 | -65.9 | -164.8 | 93 | 0 | 0 | 112.1 | R179 S218 N219 R221 R225 | R179-E223 IonicContact CZ-OE1 3.5Å; R179-E223 IonicContact NH1-OE1 2.88Å; R179-E223 PolarHBondContact NH1-OE1 2.97Å; R179-E223 IonicContact NH2-OE1 3.86Å; R179-E223 PolarHBondContact NH2-OE1 3.31Å; S218-E223 CarbonylContact C-O 3.52Å; S218-E223 WeakPolarHBondContact CA-O 3.37Å; S218-E223 WeakPolarHBondContact CB-O 3.46Å; N219-E223 PolarHBondContact N-O 2.8Å; N219-E223 PolarHBondContact ND2-OE2 2.92Å; N219-E223 WeakPolarHBondContact OD1-CB 3.22Å; N219-E223 PolarHBondContact OD1-N 2.65Å; R221-E223 HydrophobicContact CB-CG 4.33Å; R221-E223 PolarHBondContact O-N 2.82Å; E223-R225 WeakPolarHBondContact O-CG 3.33Å; E223-R225 PolarHBondContact O-N 3.14Å | ||
| 224 | I | 95.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 122.3 | 169.2 | -62.1 | 175.3 | 0 | 0 | 0 | 109.7 | A178 R179 I182 P216 S218 G222 | A178-I224 HydrophobicContact CB-CG2 3.93Å; R179-I224 HydrophobicContact CB-CB 4.46Å; I182-I224 HydrophobicContact CB-CD1 4.47Å; I182-I224 HydrophobicContact CD1-CD1 4.37Å; I182-I224 HydrophobicContact CD1-CG2 3.74Å; I182-I224 HydrophobicContact CG2-CD1 4.14Å; P216-I224 HydrophobicContact CB-CD1 4.24Å; P216-I224 HydrophobicContact CB-CG1 4.24Å; S218-I224 PolarHBondContact OG-N 2.72Å; G222-I224 PolarHBondContact O-N 3.2Å |
| 225 | R | 95.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -31.6 | 175.4 | -56.4 | -58.1 | -69.4 | 178 | 1 | 113.1 | N172 A175 F217 N219 E223 E245 N249 | N172-R225 PolarHBondContact OD1-NH1 2.88Å; N172-R225 VanDerWaalsContact OD1-NH1 3.07Å; N172-R225 PolarHBondContact OD1-NH2 2.92Å; A175-R225 WeakPolarHBondContact CA-O 3.43Å; F217-R225 PolarHBondContact O-N 2.96Å; N219-R225 HydrophobicContact CB-CG 3.97Å; E223-R225 WeakPolarHBondContact O-CG 3.33Å; E223-R225 PolarHBondContact O-N 3.14Å; R225-E245 HydrophobicContact CB-CB 4.38Å; R225-E245 IonicContact CZ-OE2 2.72Å; R225-E245 IonicContact NE-OE2 2.7Å; R225-E245 PolarHBondContact NE-OE2 3.41Å; R225-E245 IonicContact NH2-OE2 2.98Å; R225-E245 PolarHBondContact NH2-OE2 3.08Å; R225-N249 WeakPolarHBondContact CB-ND2 3.36Å |
| 226 | S | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | -176.2 | -177.6 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | F217 S244 | F217-S226 PolarHBondContact N-O 3.43Å; F217-S226 PolarHBondContact O-N 3.02Å; F217-S226 VanDerWaalsContact O-N 3.16Å; S226-S244 WeakPolarHBondContact CB-OG 3.48Å; S226-S244 PolarHBondContact OG-OG 2.89Å |
| 227 | Y | 96.6 | Very high | 90.4 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 157.8 | 167.4 | 60 | -98.3 | 0 | 0 | 0 | 112.1 | Y177 A178 Y181 I182 V214 I215 R229 I240 L241 | Y177-Y227 HydrophobicContact CE1-CE1 4.28Å; Y177-Y227 WeakPolarHBondContact CE1-OH 3.35Å; A178-Y227 HydrophobicContact CB-CD1 3.81Å; A178-Y227 HydrophobicContact CB-CE1 4.19Å; Y181-Y227 HydrophobicContact CD1-CD1 4.2Å; Y181-Y227 AromaticContact CD1-CE1 3.58Å; Y181-Y227 HydrophobicContact CD1-CE1 3.58Å; Y181-Y227 HydrophobicContact CD1-CE2 4.13Å; Y181-Y227 AromaticContact CD1-CZ 3.53Å; Y181-Y227 HydrophobicContact CE1-CE1 4.24Å; Y181-Y227 AromaticContact CE1-CE2 3.95Å; Y181-Y227 HydrophobicContact CE1-CE2 3.95Å; Y181-Y227 AromaticContact CE1-CZ 3.74Å; Y181-Y227 HydrophobicContact CG-CE1 4.35Å; I182-Y227 HydrophobicContact CD1-CD1 3.9Å; I182-Y227 HydrophobicContact CD1-CG 4.18Å; I182-Y227 HydrophobicContact CG1-CD1 4.31Å; V214-Y227 HydrophobicContact CG1-CD2 3.79Å; V214-Y227 HydrophobicContact CG1-CE2 4.44Å; V214-Y227 HydrophobicContact CG1-CG 3.96Å; I215-Y227 CarbonylContact O-C 3.55Å; I215-Y227 WeakPolarHBondContact O-CA 3.15Å; I215-Y227 WeakPolarHBondContact O-CB 3.45Å; Y227-R229 HydrophobicContact CD2-CG 3.82Å; Y227-R229 HydrophobicContact CE2-CG 3.65Å; Y227-I240 CarbonylContact O-C 3.57Å; Y227-I240 WeakPolarHBondContact O-CA 3.31Å; Y227-L241 HydrophobicContact CD1-CB 4.15Å; Y227-L241 HydrophobicContact CD1-CD2 4.12Å; Y227-L241 HydrophobicContact CD2-CB 4.41Å; Y227-L241 HydrophobicContact CE1-CB 4.03Å; Y227-L241 HydrophobicContact CE1-CD1 4.1Å; Y227-L241 HydrophobicContact CE1-CD2 3.81Å; Y227-L241 HydrophobicContact CE1-CG 4.2Å; Y227-L241 HydrophobicContact CE2-CB 4.27Å; Y227-L241 HydrophobicContact CG-CB 4.36Å; Y227-L241 PolarHBondContact O-N 3.39Å |
| 228 | Q | 96.2 | Very high | 90 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.6 | 164 | -177.9 | -178.2 | 49.8 | 0 | 0 | 110.3 | V214 I215 F217 I230 A238 I240 | V214-Q228 WeakPolarHBondContact CA-O 3.1Å; I215-Q228 PolarHBondContact N-O 3.45Å; I215-Q228 PolarHBondContact O-N 2.82Å; F217-Q228 HydrophobicContact CE1-CB 4.39Å; F217-Q228 HydrophobicContact CE2-CB 3.66Å; F217-Q228 HydrophobicContact CZ-CB 3.37Å; F217-Q228 HydrophobicContact CZ-CG 4.49Å; Q228-I230 HydrophobicContact CG-CG1 4.16Å; Q228-A238 HydrophobicContact CG-CB 4.36Å; Q228-I240 HydrophobicContact CB-CG1 4.23Å; Q228-I240 HydrophobicContact CG-CG1 4.23Å |
| 229 | R | 96.3 | Very high | 89.9 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 23% | 0.226 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.9 | 167.8 | -61.4 | -177.6 | -64.7 | 117.2 | 9.5 | 109.7 | E212 L213 V214 Y227 A238 R239 | E212-R229 IonicContact OE1-NH1 3.67Å; E212-R229 PolarHBondContact OE1-NH1 2.86Å; E212-R229 WeakPolarHBondContact OE2-CD 3.39Å; E212-R229 IonicContact OE2-CZ 2.71Å; E212-R229 IonicContact OE2-NE 2.75Å; E212-R229 IonicContact OE2-NH1 3.56Å; E212-R229 PolarHBondContact OE2-NH1 3.35Å; L213-R229 CarbonylContact O-C 3.53Å; L213-R229 WeakPolarHBondContact O-CA 3.26Å; V214-R229 HydrophobicContact CG1-CG 4.42Å; V214-R229 HydrophobicContact CG2-CG 4.2Å; Y227-R229 HydrophobicContact CD2-CG 3.82Å; Y227-R229 HydrophobicContact CE2-CG 3.65Å; R229-A238 CarbonylContact O-C 3.59Å; R229-A238 VanDerWaalsContact O-CA 3.25Å; R229-A238 WeakPolarHBondContact O-CA 3.35Å; R229-R239 PolarHBondContact N-O 2.9Å; R229-R239 PolarHBondContact O-N 3.3Å |
| 230 | I | 94.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111 | 175.8 | -54.6 | -173.7 | 0 | 0 | 0 | 108.3 | Y193 E212 L213 I215 Q228 A238 | Y193-I230 HydrophobicContact CD1-CG2 4.05Å; Y193-I230 HydrophobicContact CD2-CG2 4.09Å; Y193-I230 HydrophobicContact CE1-CD1 4.23Å; Y193-I230 HydrophobicContact CE1-CG2 4.09Å; Y193-I230 HydrophobicContact CE2-CG2 4.14Å; Y193-I230 HydrophobicContact CG-CG2 4.05Å; E212-I230 CarbonylContact C-O 3.47Å; E212-I230 WeakPolarHBondContact CA-O 3.33Å; L213-I230 HydrophobicContact CB-CB 4.32Å; L213-I230 PolarHBondContact N-O 2.77Å; L213-I230 PolarHBondContact O-N 2.87Å; I215-I230 HydrophobicContact CD1-CD1 3.5Å; I215-I230 VanDerWaalsContact CD1-CD1 3.5Å; I215-I230 HydrophobicContact CD1-CG1 4.08Å; Q228-I230 HydrophobicContact CG-CG1 4.16Å; I230-A238 HydrophobicContact CG1-CB 4.25Å |
| 231 | P | 94.4 | Very high | 90.2 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | trans | -74.1 | 173.1 | 174 | 31.3 | -33.8 | 0 | 0 | 0 | 111.4 | H191 E212 T233 G234 D237 | H191-P231 PolarHBondContact CE1-O 3.39Å; E212-P231 HydrophobicContact CG-CB 4.27Å; P231-T233 WeakPolarHBondContact CG-OG1 3.42Å; P231-T233 PolarHBondContact O-N 3.45Å; P231-G234 PolarHBondContact O-N 3.31Å; P231-D237 HydrophobicContact CG-CB 3.53Å | ||
| 232 | V | 92 | Very high | 90.3 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -39 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 113 | H191 E192 R196 G234 | H191-V232 WeakPolarHBondContact CE1-CA 3.45Å; H191-V232 PolarHBondContact CE1-N 3.23Å; H191-V232 WeakPolarHBondContact NE2-CG2 3.4Å; E192-V232 HydrophobicContact CB-CG1 3.96Å; E192-V232 HydrophobicContact CB-CG2 4.38Å; E192-V232 VanDerWaalsContact OE2-CG1 3.29Å; E192-V232 WeakPolarHBondContact OE2-CG1 3.24Å; R196-V232 PolarHBondContact NH2-O 2.87Å; V232-G234 VanDerWaalsContact C-N 3.32Å; V232-G234 PolarHBondContact O-N 2.89Å |
| 233 | T | 89.5 | Confident | 90.2 | Very high | 79 Ų | 79 | 52 Ų | 52 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31 | 177.2 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | R196 P231 D237 | R196-T233 VanDerWaalsContact NH2-C 3.27Å; R196-T233 PolarHBondContact NH2-O 3.17Å; P231-T233 WeakPolarHBondContact CG-OG1 3.42Å; P231-T233 PolarHBondContact O-N 3.45Å; T233-D237 VanDerWaalsContact CB-OD2 3.29Å; T233-D237 WeakPolarHBondContact CB-OD2 3.37Å; T233-D237 PolarHBondContact OG1-OD2 3.23Å |
| 234 | G | 84.1 | Confident | 90.2 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | 65.9 | -156.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P231 V232 K236 D237 | P231-G234 PolarHBondContact O-N 3.31Å; V232-G234 VanDerWaalsContact C-N 3.32Å; V232-G234 PolarHBondContact O-N 2.89Å; G234-K236 PolarHBondContact O-N 3.49Å; G234-D237 PolarHBondContact O-N 2.71Å; G234-D237 VanDerWaalsContact O-N 3.13Å | ||
| 235 | G | 72.3 | Confident | 90 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 64% | 0.639 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | 50.7 | -124.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D237 A238 | G235-D237 PolarHBondContact O-N 3.05Å; G235-D237 VanDerWaalsContact O-N 3.08Å; G235-A238 WeakPolarHBondContact O-CB 2.96Å; G235-A238 PolarHBondContact O-N 3.38Å |
| 236 | K | 72.6 | Confident | 89.9 | Confident | 201 Ų | 201 | 50.5 Ų | 50.5 | 87% | 0.874 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -62.5 | -13.4 | -175.8 | -64.5 | -176.6 | -177.9 | 177.3 | 0 | 114.7 | G234 R239 | G234-K236 PolarHBondContact O-N 3.49Å; K236-R239 PolarHBondContact O-NH1 3.3Å |
| 237 | D | 82.6 | Confident | 89.7 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -91 | -4.9 | 176.2 | -64.2 | -31.5 | 0 | 0 | 0 | 113.5 | P231 T233 G234 G235 | P231-D237 HydrophobicContact CG-CB 3.53Å; T233-D237 VanDerWaalsContact CB-OD2 3.29Å; T233-D237 WeakPolarHBondContact CB-OD2 3.37Å; T233-D237 PolarHBondContact OG1-OD2 3.23Å; G234-D237 PolarHBondContact O-N 2.71Å; G234-D237 VanDerWaalsContact O-N 3.13Å; G235-D237 PolarHBondContact O-N 3.05Å; G235-D237 VanDerWaalsContact O-N 3.08Å |
| 238 | A | 87.4 | Confident | 89.6 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | trans | -61.3 | 141.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q228 R229 I230 G235 | Q228-A238 HydrophobicContact CG-CB 4.36Å; R229-A238 CarbonylContact O-C 3.59Å; R229-A238 VanDerWaalsContact O-CA 3.25Å; R229-A238 WeakPolarHBondContact O-CA 3.35Å; I230-A238 HydrophobicContact CG1-CB 4.25Å; G235-A238 WeakPolarHBondContact O-CB 2.96Å; G235-A238 PolarHBondContact O-N 3.38Å | ||
| 239 | R | 91.9 | Very high | 89.6 | Confident | 92 Ų | 92 | 51.2 Ų | 51.2 | 35% | 0.347 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 120 | -177.8 | -67.3 | -66.6 | -178.7 | -82.6 | 6.3 | 111.2 | R229 K236 R1353 | R229-R239 PolarHBondContact N-O 2.9Å; R229-R239 PolarHBondContact O-N 3.3Å; K236-R239 PolarHBondContact O-NH1 3.3Å; R239-R1353 PolarHBondContact NH2-OXT 2.79Å |
| 240 | I | 93.5 | Very high | 89.6 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 152.5 | 171.6 | -56.7 | 172.8 | 0 | 0 | 0 | 109.1 | F217 Y227 Q228 K242 K246 V286 | F217-I240 HydrophobicContact CE2-CG1 4.41Å; F217-I240 HydrophobicContact CE2-CG2 4.36Å; Y227-I240 CarbonylContact O-C 3.57Å; Y227-I240 WeakPolarHBondContact O-CA 3.31Å; Q228-I240 HydrophobicContact CB-CG1 4.23Å; Q228-I240 HydrophobicContact CG-CG1 4.23Å; I240-K242 PolarHBondContact O-N 3.07Å; I240-K242 VanDerWaalsContact O-N 3.15Å; I240-K246 HydrophobicContact CD1-CD 3.8Å; I240-K246 HydrophobicContact CD1-CG 4.18Å; I240-V286 HydrophobicContact CD1-CG1 3.61Å; I240-V286 HydrophobicContact CG1-CG1 4.39Å |
| 241 | L | 94.6 | Very high | 89.8 | Confident | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 117.1 | 171.7 | 175.2 | 60.6 | 0 | 0 | 0 | 110 | Q174 Y177 A178 Y227 S244 | Q174-L241 HydrophobicContact CB-CD2 4.14Å; Y177-L241 HydrophobicContact CD1-CD1 3.85Å; Y177-L241 HydrophobicContact CD1-CD2 4.06Å; Y177-L241 HydrophobicContact CE1-CD1 3.74Å; A178-L241 HydrophobicContact CB-CD2 3.9Å; Y227-L241 HydrophobicContact CD1-CB 4.15Å; Y227-L241 HydrophobicContact CD1-CD2 4.12Å; Y227-L241 HydrophobicContact CD2-CB 4.41Å; Y227-L241 HydrophobicContact CE1-CB 4.03Å; Y227-L241 HydrophobicContact CE1-CD1 4.1Å; Y227-L241 HydrophobicContact CE1-CD2 3.81Å; Y227-L241 HydrophobicContact CE1-CG 4.2Å; Y227-L241 HydrophobicContact CE2-CB 4.27Å; Y227-L241 HydrophobicContact CG-CB 4.36Å; Y227-L241 PolarHBondContact O-N 3.39Å; L241-S244 WeakPolarHBondContact O-CB 3.45Å; L241-S244 PolarHBondContact O-OG 3.33Å |
| 242 | K | 90.1 | Very high | 89.8 | Confident | 143 Ų | 143 | 50 Ų | 50 | 62% | 0.622 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 145.3 | -178.5 | -156.6 | -154 | 164.6 | -133.3 | 0 | 111.5 | Q174 I240 S244 | Q174-K242 PolarHBondContact NE2-O 3.46Å; Q174-K242 VanDerWaalsContact NE2-O 3.14Å; I240-K242 PolarHBondContact O-N 3.07Å; I240-K242 VanDerWaalsContact O-N 3.15Å; K242-S244 PolarHBondContact O-N 3.29Å; K242-S244 VanDerWaalsContact O-N 3.16Å |
| 243 | D | 86.3 | Confident | 90 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 21.4 | 174.3 | -47.6 | -37.7 | 0 | 0 | 0 | 114.1 | Q174 | Q174-D243 WeakPolarHBondContact CG-O 3.36Š|
| 244 | S | 91.9 | Very high | 90 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -103.6 | 166.5 | 179 | 69.3 | 0 | 0 | 0 | 0 | 112.6 | S226 L241 K242 K246 | S226-S244 WeakPolarHBondContact CB-OG 3.48Å; S226-S244 PolarHBondContact OG-OG 2.89Å; L241-S244 WeakPolarHBondContact O-CB 3.45Å; L241-S244 PolarHBondContact O-OG 3.33Å; K242-S244 PolarHBondContact O-N 3.29Å; K242-S244 VanDerWaalsContact O-N 3.16Å; S244-K246 PolarHBondContact O-N 3.17Å; S244-K246 VanDerWaalsContact O-N 3.07Å |
| 245 | E | 91.9 | Very high | 90.4 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | trans | -77.4 | 91.7 | 179.1 | -162.8 | 173.3 | -156.8 | 0 | 0 | 110.1 | Y171 R225 N249 | Y171-E245 HydrophobicContact CD1-CB 4.02Å; Y171-E245 HydrophobicContact CD2-CB 3.72Å; Y171-E245 HydrophobicContact CD2-CG 3.6Å; Y171-E245 HydrophobicContact CE1-CB 4.32Å; Y171-E245 HydrophobicContact CE2-CB 4.05Å; Y171-E245 HydrophobicContact CE2-CG 3.76Å; Y171-E245 HydrophobicContact CG-CB 3.69Å; Y171-E245 HydrophobicContact CG-CG 4.13Å; R225-E245 HydrophobicContact CB-CB 4.38Å; R225-E245 IonicContact CZ-OE2 2.72Å; R225-E245 IonicContact NE-OE2 2.7Å; R225-E245 PolarHBondContact NE-OE2 3.41Å; R225-E245 IonicContact NH2-OE2 2.98Å; R225-E245 PolarHBondContact NH2-OE2 3.08Å; E245-N249 PolarHBondContact O-ND2 3.43Å | ||
| 246 | K | 92.8 | Very high | 91.4 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | trans | -82.1 | -43.4 | 171.1 | -167.9 | -149.1 | 73.8 | 175.5 | 0 | 111.4 | I240 S244 G248 N249 V286 D287 N290 | I240-K246 HydrophobicContact CD1-CD 3.8Å; I240-K246 HydrophobicContact CD1-CG 4.18Å; S244-K246 PolarHBondContact O-N 3.17Å; S244-K246 VanDerWaalsContact O-N 3.07Å; K246-G248 PolarHBondContact O-N 2.73Å; K246-N249 PolarHBondContact O-N 2.59Å; K246-N249 VanDerWaalsContact O-N 3.16Å; K246-V286 HydrophobicContact CD-CG1 4.33Å; K246-V286 HydrophobicContact CG-CG1 4.48Å; K246-D287 IonicContact NZ-OD1 3.05Å; K246-D287 PolarHBondContact NZ-OD1 3.17Å; K246-D287 IonicContact NZ-OD2 3.58Å; K246-D287 PolarHBondContact NZ-OD2 3.22Å; K246-N290 PolarHBondContact O-ND2 3.42Å | ||
| 247 | T | 92.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.258 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 127.6 | -170.7 | -45.8 | 0 | 0 | 0 | 0 | 111.8 | N249 N290 A293 | T247-N249 PolarHBondContact O-N 3.37Å; T247-N290 VanDerWaalsContact CA-OD1 3.26Å; T247-N290 WeakPolarHBondContact CA-OD1 3.39Å; T247-A293 HydrophobicContact CG2-CB 3.93Å |
| 248 | G | 93.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 8.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K246 W250 N290 N297 | K246-G248 PolarHBondContact O-N 2.73Å; G248-W250 VanDerWaalsContact O-CE3 3.28Å; G248-W250 WeakPolarHBondContact O-CZ3 3.19Å; G248-N290 PolarHBondContact N-OD1 3.28Å; G248-N297 WeakPolarHBondContact CA-ND2 3.37Å; G248-N297 PolarHBondContact O-ND2 2.78Å |
| 249 | N | 96.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | trans | -109.8 | 151.3 | 173.5 | -64.2 | -45.9 | 0 | 0 | 0 | 110.5 | F217 S218 N219 R225 E245 K246 T247 N290 | F217-N249 HydrophobicContact CB-CB 4.29Å; S218-N249 VanDerWaalsContact O-CA 3.32Å; S218-N249 WeakPolarHBondContact O-CA 3.41Å; S218-N249 WeakPolarHBondContact O-CB 3.3Å; S218-N249 PolarHBondContact O-OD1 3.06Å; N219-N249 WeakPolarHBondContact CA-OD1 3.37Å; N219-N249 WeakPolarHBondContact CB-OD1 3.27Å; N219-N249 PolarHBondContact N-OD1 3.14Å; R225-N249 WeakPolarHBondContact CB-ND2 3.36Å; E245-N249 PolarHBondContact O-ND2 3.43Å; K246-N249 PolarHBondContact O-N 2.59Å; K246-N249 VanDerWaalsContact O-N 3.16Å; T247-N249 PolarHBondContact O-N 3.37Å; N249-N290 PolarHBondContact O-ND2 2.75Å; N249-N290 VanDerWaalsContact O-ND2 3.13Å | ||
| 250 | W | 97.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -143.1 | 170.5 | -171.8 | 59.1 | 87.4 | 0 | 0 | 0 | 112.8 | F217 S218 G248 T252 L283 M284 V294 N297 I301 W302 | F217-W250 CarbonylContact C-O 3.54Å; F217-W250 WeakPolarHBondContact CA-O 3.11Å; S218-W250 PolarHBondContact N-O 3.33Å; S218-W250 PolarHBondContact O-N 3.21Å; S218-W250 VanDerWaalsContact O-N 3.08Å; G248-W250 VanDerWaalsContact O-CE3 3.28Å; G248-W250 WeakPolarHBondContact O-CZ3 3.19Å; W250-T252 VanDerWaalsContact CD1-OG1 3.28Å; W250-T252 PolarHBondContact NE1-OG1 2.95Å; W250-L283 HydrophobicContact CD2-CD1 4.23Å; W250-L283 HydrophobicContact CG-CD1 4.22Å; W250-M284 WeakPolarHBondContact CA-O 3.25Å; W250-M284 WeakPolarHBondContact CB-O 3.46Å; W250-V294 HydrophobicContact CB-CG1 3.98Å; W250-V294 HydrophobicContact CB-CG2 4.28Å; W250-V294 HydrophobicContact CD2-CG1 4.18Å; W250-V294 HydrophobicContact CE3-CB 4.44Å; W250-V294 HydrophobicContact CE3-CG1 3.84Å; W250-V294 HydrophobicContact CE3-CG2 4.25Å; W250-V294 HydrophobicContact CG-CG1 4.28Å; W250-N297 HydrophobicContact CH2-CB 4.2Å; W250-N297 HydrophobicContact CZ3-CB 3.7Å; W250-I301 HydrophobicContact CH2-CD1 3.64Å; W250-I301 HydrophobicContact CZ2-CD1 3.93Å; W250-W302 AromaticContact CZ2-CH2 3.85Å; W250-W302 HydrophobicContact CZ2-CH2 3.85Å; W250-W302 AromaticContact CZ2-CZ3 3.85Å; W250-W302 HydrophobicContact CZ2-CZ3 3.85Å |
| 251 | F | 97.2 | Very high | 92.8 | Very high | 12 Ų | 12 | 46 Ų | 46 | 5% | 0.053 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145.2 | 161.2 | 177.9 | -104.3 | 0 | 0 | 0 | 109.8 | A202 V205 I215 P216 F217 F253 Y268 M284 | A202-F251 HydrophobicContact CB-CE1 3.8Å; A202-F251 HydrophobicContact CB-CZ 3.8Å; V205-F251 HydrophobicContact CG2-CE1 4.15Å; V205-F251 HydrophobicContact CG2-CE2 4.36Å; V205-F251 HydrophobicContact CG2-CZ 3.75Å; I215-F251 HydrophobicContact CG2-CB 3.72Å; I215-F251 HydrophobicContact CG2-CD1 4Å; I215-F251 HydrophobicContact CG2-CD2 3.83Å; I215-F251 HydrophobicContact CG2-CE2 4.48Å; I215-F251 HydrophobicContact CG2-CG 3.55Å; P216-F251 HydrophobicContact CG-CD2 3.92Å; P216-F251 HydrophobicContact CG-CE2 3.98Å; P216-F251 WeakPolarHBondContact O-CB 3.48Å; P216-F251 WeakPolarHBondContact O-CD2 3.39Å; F217-F251 HydrophobicContact CD1-CB 4.07Å; F217-F251 HydrophobicContact CE1-CB 4.27Å; F251-F253 AromaticContact CD1-CD2 3.98Å; F251-F253 HydrophobicContact CD1-CD2 3.98Å; F251-F253 AromaticContact CD1-CE2 3.63Å; F251-F253 HydrophobicContact CD1-CE2 3.63Å; F251-F253 HydrophobicContact CD1-CZ 4.12Å; F251-F253 HydrophobicContact CE1-CD1 4.41Å; F251-F253 HydrophobicContact CE1-CD2 4.03Å; F251-F253 HydrophobicContact CE1-CE1 4.2Å; F251-F253 AromaticContact CE1-CE2 3.79Å; F251-F253 HydrophobicContact CE1-CE2 3.79Å; F251-F253 HydrophobicContact CE1-CG 4.34Å; F251-F253 AromaticContact CE1-CZ 3.9Å; F251-F253 HydrophobicContact CE1-CZ 3.9Å; F251-Y268 HydrophobicContact CD1-CD2 4.42Å; F251-Y268 HydrophobicContact CD1-CE2 4.39Å; F251-Y268 HydrophobicContact CE1-CD2 4.48Å; F251-Y268 HydrophobicContact CE1-CE2 4Å; F251-M284 HydrophobicContact CB-CB 4.17Å; F251-M284 HydrophobicContact CB-SD 4.2Å; F251-M284 PolarHBondContact N-O 2.7Å; F251-M284 PolarHBondContact O-N 2.85Å |
| 252 | T | 95.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 26% | 0.264 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.1 | -174.2 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | W250 P256 L283 | W250-T252 VanDerWaalsContact CD1-OG1 3.28Å; W250-T252 PolarHBondContact NE1-OG1 2.95Å; T252-P256 VanDerWaalsContact CG2-CD 3.46Å; T252-P256 HydrophobicContact CG2-CG 3.63Å; T252-L283 HydrophobicContact CG2-CD2 3.87Å |
| 253 | F | 95 | Very high | 93.3 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.7 | 163.9 | -66.2 | -100.3 | 0 | 0 | 0 | 109.8 | A202 F251 Y268 A271 A272 H275 P281 V282 M284 | A202-F253 HydrophobicContact CB-CD1 3.74Å; A202-F253 HydrophobicContact CB-CE1 3.62Å; A202-F253 HydrophobicContact CB-CZ 4.49Å; F251-F253 AromaticContact CD1-CD2 3.98Å; F251-F253 HydrophobicContact CD1-CD2 3.98Å; F251-F253 AromaticContact CD1-CE2 3.63Å; F251-F253 HydrophobicContact CD1-CE2 3.63Å; F251-F253 HydrophobicContact CD1-CZ 4.12Å; F251-F253 HydrophobicContact CE1-CD1 4.41Å; F251-F253 HydrophobicContact CE1-CD2 4.03Å; F251-F253 HydrophobicContact CE1-CE1 4.2Å; F251-F253 AromaticContact CE1-CE2 3.79Å; F251-F253 HydrophobicContact CE1-CE2 3.79Å; F251-F253 HydrophobicContact CE1-CG 4.34Å; F251-F253 AromaticContact CE1-CZ 3.9Å; F251-F253 HydrophobicContact CE1-CZ 3.9Å; F253-Y268 AromaticContact CE1-CE2 3.88Å; F253-Y268 HydrophobicContact CE1-CE2 3.88Å; F253-Y268 AromaticContact CE1-CZ 3.98Å; F253-Y268 HydrophobicContact CE2-CD2 4.24Å; F253-Y268 HydrophobicContact CE2-CE2 4.31Å; F253-Y268 AromaticContact CZ-CD2 3.57Å; F253-Y268 HydrophobicContact CZ-CD2 3.57Å; F253-Y268 HydrophobicContact CZ-CE1 4.42Å; F253-Y268 AromaticContact CZ-CE2 3.37Å; F253-Y268 HydrophobicContact CZ-CE2 3.37Å; F253-Y268 HydrophobicContact CZ-CG 4.19Å; F253-Y268 AromaticContact CZ-CZ 3.81Å; F253-A271 HydrophobicContact CD2-CB 3.78Å; F253-A271 HydrophobicContact CE2-CB 3.4Å; F253-A271 VanDerWaalsContact CE2-CB 3.4Å; F253-A271 HydrophobicContact CZ-CB 4.14Å; F253-A272 HydrophobicContact CD1-CB 4.4Å; F253-A272 VanDerWaalsContact CE1-CA 3.48Å; F253-A272 HydrophobicContact CE1-CB 3.5Å; F253-A272 HydrophobicContact CZ-CB 3.76Å; F253-H275 HydrophobicContact CB-CB 3.82Å; F253-H275 HydrophobicContact CD1-CB 4.26Å; F253-H275 HydrophobicContact CG-CB 4.25Å; F253-P281 VanDerWaalsContact O-CA 3.29Å; F253-P281 WeakPolarHBondContact O-CA 3.28Å; F253-V282 HydrophobicContact CB-CB 4.21Å; F253-V282 PolarHBondContact N-O 2.83Å; F253-V282 PolarHBondContact O-N 2.7Å; F253-M284 HydrophobicContact CE2-CB 4.18Å |
| 254 | G | 90.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 36 Ų | 36 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 66.6 | -160 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H275 | G254-H275 PolarHBondContact N-CE1 3.1Š|
| 255 | T | 91.6 | Very high | 94.1 | Very high | 118 Ų | 118 | 35.7 Ų | 35.7 | 72% | 0.724 | 20% | 0.201 | S | C | * | . | trans | -122.9 | 108.3 | 175.3 | -55.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 256 | P | 92.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | trans | -67 | 133.3 | 174.1 | -21.9 | 32.9 | 0 | 0 | 0 | 112.5 | T252 L262 P281 L283 W302 | T252-P256 VanDerWaalsContact CG2-CD 3.46Å; T252-P256 HydrophobicContact CG2-CG 3.63Å; P256-L262 HydrophobicContact CB-CD1 3.92Å; P256-L262 HydrophobicContact CB-CD2 4.44Å; P256-L262 HydrophobicContact CG-CD1 3.91Å; P256-P281 HydrophobicContact CB-CB 4.34Å; P256-P281 HydrophobicContact CG-CB 4Å; P256-L283 HydrophobicContact CG-CD2 4.1Å; P256-W302 HydrophobicContact CB-CD2 4.19Å; P256-W302 VanDerWaalsContact CB-CE2 3.49Å; P256-W302 HydrophobicContact CB-CH2 4.3Å; P256-W302 HydrophobicContact CB-CZ2 3.56Å; P256-W302 HydrophobicContact CG-CH2 4.29Å; P256-W302 HydrophobicContact CG-CZ2 3.89Å; P256-W302 PolarHBondContact O-NE1 3.28Å | ||
| 257 | E | 90.6 | Very high | 94.1 | Very high | 105 Ų | 105 | 34.8 Ų | 34.8 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | trans | -117.5 | 139.9 | 174.7 | -70.7 | 176.4 | 179 | 0 | 0 | 109 | R260 S305 | E257-R260 HydrophobicContact CB-CB 4.04Å; E257-R260 HydrophobicContact CB-CG 3.49Å; E257-R260 VanDerWaalsContact CB-CG 3.49Å; E257-R260 HydrophobicContact CG-CG 4.39Å; E257-R260 WeakPolarHBondContact O-CB 3.21Å; E257-R260 PolarHBondContact O-N 3.29Å; E257-R260 VanDerWaalsContact O-N 3.16Å; E257-R260 VanDerWaalsContact OE2-CG 3.28Å; E257-R260 WeakPolarHBondContact OE2-CG 3.32Å; E257-R260 IonicContact OE2-NE 3.16Å; E257-R260 PolarHBondContact OE2-NE 3.04Å; E257-R260 VanDerWaalsContact OE2-NE 3.15Å; E257-S305 PolarHBondContact O-OG 2.97Å; E257-S305 VanDerWaalsContact O-OG 3.09Å | ||
| 258 | N | 91.3 | Very high | 94.2 | Very high | 69 Ų | 69 | 33 Ų | 33 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 141.6 | 176.5 | -178 | 41.2 | 0 | 0 | 0 | 110.8 | R260 W302 T303 D304 Y431 | N258-R260 PolarHBondContact O-N 2.7Å; N258-W302 WeakPolarHBondContact OD1-CA 3.15Å; N258-T303 PolarHBondContact OD1-N 3.46Å; N258-T303 VanDerWaalsContact OD1-N 3.11Å; N258-D304 PolarHBondContact ND2-OD2 2.81Å; N258-D304 PolarHBondContact OD1-N 2.93Å; N258-Y431 PolarHBondContact ND2-OH 3.09Å |
| 259 | G | 90.6 | Very high | 94.2 | Very high | 39 Ų | 39 | 33 Ų | 33 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -2.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S305 | G259-S305 PolarHBondContact N-OG 3.43Š|
| 260 | R | 92.4 | Very high | 94.2 | Very high | 149 Ų | 149 | 32.9 Ų | 32.9 | 56% | 0.562 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -94.6 | 150.9 | 169.4 | -61.8 | -56.7 | -159.1 | 171.4 | 4.8 | 111.7 | E257 N258 L262 S305 | E257-R260 HydrophobicContact CB-CB 4.04Å; E257-R260 HydrophobicContact CB-CG 3.49Å; E257-R260 VanDerWaalsContact CB-CG 3.49Å; E257-R260 HydrophobicContact CG-CG 4.39Å; E257-R260 WeakPolarHBondContact O-CB 3.21Å; E257-R260 PolarHBondContact O-N 3.29Å; E257-R260 VanDerWaalsContact O-N 3.16Å; E257-R260 VanDerWaalsContact OE2-CG 3.28Å; E257-R260 WeakPolarHBondContact OE2-CG 3.32Å; E257-R260 IonicContact OE2-NE 3.16Å; E257-R260 PolarHBondContact OE2-NE 3.04Å; E257-R260 VanDerWaalsContact OE2-NE 3.15Å; N258-R260 PolarHBondContact O-N 2.7Å; R260-L262 PolarHBondContact O-N 3Å; R260-S305 PolarHBondContact N-OG 2.89Å; R260-S305 WeakPolarHBondContact O-CB 3.03Å; R260-S305 PolarHBondContact O-OG 3.14Å |
| 261 | P | 94.2 | Very high | 94.2 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | trans | -54.9 | 134.2 | 172.3 | -25 | 34.2 | 0 | 0 | 0 | 112.6 | L280 P281 P306 I379 | P261-L280 HydrophobicContact CB-CD1 4.28Å; P261-L280 HydrophobicContact CB-CD2 4.41Å; P261-P281 WeakPolarHBondContact O-CG 3.46Å; P261-P306 WeakPolarHBondContact CA-O 3.23Å; P261-I379 HydrophobicContact CB-CD1 4.21Å; P261-I379 HydrophobicContact CB-CG1 4.28Å; P261-I379 HydrophobicContact CB-CG2 3.65Å; P261-I379 HydrophobicContact CG-CB 4.4Å; P261-I379 HydrophobicContact CG-CG1 4.15Å; P261-I379 HydrophobicContact CG-CG2 3.67Å | ||
| 262 | L | 96.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.7 | 178.8 | -176.4 | 58.6 | 0 | 0 | 0 | 110 | P256 R260 F264 P281 L283 W302 P306 F307 V308 | P256-L262 HydrophobicContact CB-CD1 3.92Å; P256-L262 HydrophobicContact CB-CD2 4.44Å; P256-L262 HydrophobicContact CG-CD1 3.91Å; R260-L262 PolarHBondContact O-N 3Å; L262-F264 HydrophobicContact CB-CE2 4.31Å; L262-F264 HydrophobicContact CD2-CE2 4.14Å; L262-F264 HydrophobicContact CD2-CZ 3.93Å; L262-F264 HydrophobicContact CG-CE2 3.9Å; L262-F264 HydrophobicContact CG-CZ 4.17Å; L262-P281 HydrophobicContact CD1-CB 3.88Å; L262-P281 HydrophobicContact CD1-CG 3.91Å; L262-L283 HydrophobicContact CD1-CD2 4.2Å; L262-L283 HydrophobicContact CD1-CG 4.06Å; L262-L283 HydrophobicContact CD2-CD1 4.09Å; L262-L283 HydrophobicContact CD2-CG 4.18Å; L262-L283 HydrophobicContact CG-CG 4.29Å; L262-W302 HydrophobicContact CD2-CD2 4.04Å; L262-W302 HydrophobicContact CD2-CE3 3.7Å; L262-W302 HydrophobicContact CD2-CG 4.44Å; L262-W302 HydrophobicContact CD2-CZ3 4.23Å; L262-P306 PolarHBondContact N-O 2.67Å; L262-F307 HydrophobicContact CB-CD1 4.07Å; L262-F307 HydrophobicContact CB-CE1 4.21Å; L262-F307 HydrophobicContact CD2-CD1 4.43Å; L262-F307 HydrophobicContact CD2-CE1 3.86Å; L262-F307 HydrophobicContact CD2-CZ 4.42Å; L262-F307 WeakPolarHBondContact O-CA 3.22Å; L262-V308 PolarHBondContact O-N 3.07Å |
| 263 | L | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 152.3 | 178.7 | -84.4 | 61.2 | 0 | 0 | 0 | 110.7 | L274 L280 P281 V282 L283 V308 L374 | L263-L274 HydrophobicContact CD2-CB 4.41Å; L263-L280 HydrophobicContact CD1-CB 4.17Å; L263-L280 HydrophobicContact CD1-CD1 3.68Å; L263-P281 PolarHBondContact N-O 2.92Å; L263-P281 VanDerWaalsContact N-O 3.09Å; L263-V282 HydrophobicContact CB-CB 4.37Å; L263-V282 HydrophobicContact CB-CG1 4.06Å; L263-V282 HydrophobicContact CB-CG2 4.04Å; L263-V282 CarbonylContact O-C 3.58Å; L263-V282 VanDerWaalsContact O-CA 3.3Å; L263-V282 WeakPolarHBondContact O-CA 3.43Å; L263-L283 PolarHBondContact O-N 2.86Å; L263-V308 CarbonylContact C-O 3.59Å; L263-V308 WeakPolarHBondContact CA-O 3.15Å; L263-V308 HydrophobicContact CD1-CB 4.07Å; L263-V308 HydrophobicContact CD1-CG2 4.31Å; L263-V308 HydrophobicContact CG-CB 4.07Å; L263-V308 HydrophobicContact CG-CG1 4.38Å; L263-L374 HydrophobicContact CD1-CD2 4.37Å |
| 264 | F | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.3 | 177.1 | -63.5 | -108.3 | 0 | 0 | 0 | 109.1 | L262 L283 T285 V294 A298 F307 V308 F309 C310 | L262-F264 HydrophobicContact CB-CE2 4.31Å; L262-F264 HydrophobicContact CD2-CE2 4.14Å; L262-F264 HydrophobicContact CD2-CZ 3.93Å; L262-F264 HydrophobicContact CG-CE2 3.9Å; L262-F264 HydrophobicContact CG-CZ 4.17Å; F264-L283 WeakPolarHBondContact CA-O 3.31Å; F264-L283 HydrophobicContact CD1-CB 4.06Å; F264-L283 HydrophobicContact CD1-CD1 4.35Å; F264-L283 HydrophobicContact CE1-CB 4.32Å; F264-L283 HydrophobicContact CE1-CD1 3.77Å; F264-L283 HydrophobicContact CE1-CG 4.32Å; F264-L283 HydrophobicContact CZ-CD1 4.23Å; F264-T285 HydrophobicContact CB-CG2 4.32Å; F264-T285 HydrophobicContact CD1-CG2 4.26Å; F264-V294 HydrophobicContact CD1-CG1 4.19Å; F264-V294 HydrophobicContact CE1-CG1 4.14Å; F264-A298 HydrophobicContact CE1-CB 3.79Å; F264-A298 HydrophobicContact CZ-CB 3.76Å; F264-F307 HydrophobicContact CD2-CB 4.44Å; F264-F307 HydrophobicContact CE2-CB 3.79Å; F264-F307 AromaticContact CE2-CD1 3.73Å; F264-F307 HydrophobicContact CE2-CD1 3.73Å; F264-F307 AromaticContact CE2-CD2 3.71Å; F264-F307 HydrophobicContact CE2-CD2 3.71Å; F264-F307 HydrophobicContact CE2-CE1 4.19Å; F264-F307 HydrophobicContact CE2-CE2 4.18Å; F264-F307 AromaticContact CE2-CG 3.47Å; F264-F307 HydrophobicContact CE2-CG 3.47Å; F264-F307 VanDerWaalsContact CE2-CG 3.47Å; F264-F307 HydrophobicContact CE2-CZ 4.41Å; F264-F307 HydrophobicContact CZ-CD1 4.07Å; F264-F307 AromaticContact CZ-CD2 3.64Å; F264-F307 HydrophobicContact CZ-CD2 3.64Å; F264-F307 HydrophobicContact CZ-CE1 4.09Å; F264-F307 AromaticContact CZ-CE2 3.67Å; F264-F307 HydrophobicContact CZ-CE2 3.67Å; F264-F307 AromaticContact CZ-CG 3.86Å; F264-F307 HydrophobicContact CZ-CG 3.86Å; F264-F307 AromaticContact CZ-CZ 3.91Å; F264-F307 HydrophobicContact CZ-CZ 3.91Å; F264-V308 PolarHBondContact N-O 3.08Å; F264-F309 HydrophobicContact CB-CD1 3.56Å; F264-F309 HydrophobicContact CB-CE1 3.83Å; F264-F309 HydrophobicContact CB-CG 4.47Å; F264-F309 HydrophobicContact CD1-CD1 4.39Å; F264-F309 AromaticContact CD1-CE1 3.77Å; F264-F309 HydrophobicContact CD1-CE1 3.77Å; F264-F309 HydrophobicContact CD2-CD1 4.07Å; F264-F309 AromaticContact CD2-CE1 3.7Å; F264-F309 HydrophobicContact CD2-CE1 3.7Å; F264-F309 HydrophobicContact CD2-CZ 4.08Å; F264-F309 HydrophobicContact CE1-CE1 4.22Å; F264-F309 HydrophobicContact CE2-CE1 4.19Å; F264-F309 HydrophobicContact CE2-CZ 4.21Å; F264-F309 AromaticContact CG-CD1 3.78Å; F264-F309 HydrophobicContact CG-CD1 3.78Å; F264-F309 AromaticContact CG-CE1 3.5Å; F264-F309 HydrophobicContact CG-CE1 3.5Å; F264-F309 VanDerWaalsContact CG-CE1 3.5Å; F264-F309 HydrophobicContact CG-CZ 4.31Å; F264-F309 HydrophobicContact CZ-CE1 4.43Å; F264-C310 WeakPolarHBondContact O-CB 3.18Å; F264-C310 PolarHBondContact O-N 3.27Å |
| 265 | A | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 155.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T270 A271 L274 V282 L283 M284 T285 C310 | A265-T270 HydrophobicContact CB-CG2 4.1Å; A265-A271 HydrophobicContact CB-CB 4.16Å; A265-L274 HydrophobicContact CB-CD1 3.71Å; A265-V282 HydrophobicContact CB-CG1 4.36Å; A265-L283 PolarHBondContact N-O 2.88Å; A265-M284 CarbonylContact O-C 3.57Å; A265-M284 VanDerWaalsContact O-CA 3.31Å; A265-M284 WeakPolarHBondContact O-CA 3.48Å; A265-T285 PolarHBondContact O-N 3.44Å; A265-C310 HydrophobicContact CB-CB 4.4Å |
| 266 | E | 93.2 | Very high | 94.4 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 13% | 0.131 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -73.2 | -64.7 | -173.8 | -61.9 | -172 | -142.6 | 0 | 0 | 113.1 | M284 V286 A288 M291 G322 | E266-M284 WeakPolarHBondContact O-CG 3.44Å; E266-V286 CarbonylContact O-C 3.48Å; E266-V286 WeakPolarHBondContact O-CA 3.47Å; E266-V286 PolarHBondContact O-N 3.38Å; E266-A288 VanDerWaalsContact CD-CB 3.5Å; E266-A288 HydrophobicContact CG-CB 4.47Å; E266-A288 WeakPolarHBondContact OE1-CB 3.35Å; E266-A288 WeakPolarHBondContact OE2-CA 3.26Å; E266-A288 VanDerWaalsContact OE2-CB 3.31Å; E266-A288 WeakPolarHBondContact OE2-CB 3.31Å; E266-A288 PolarHBondContact OE2-N 3.18Å; E266-M291 HydrophobicContact CG-CE 3.69Å; E266-G322 WeakPolarHBondContact OE1-CA 3.39Å |
| 267 | G | 92.5 | Very high | 94.3 | Very high | 24 Ų | 24 | 25.6 Ų | 25.6 | 25% | 0.247 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -85.1 | 153.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A269 T270 A271 | G267-A269 VanDerWaalsContact C-N 3.29Å; G267-A269 PolarHBondContact O-N 2.85Å; G267-T270 PolarHBondContact O-N 2.83Å; G267-A271 WeakPolarHBondContact O-CB 3.39Å; G267-A271 PolarHBondContact O-N 3Å |
| 268 | Y | 94.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.3 | -42.7 | 175.8 | 177.8 | -87.4 | 0 | 0 | 0 | 112.2 | Y193 L194 I199 R200 A202 V205 I215 F251 F253 A272 M284 | Y193-Y268 HydrophobicContact CE1-CD1 4.31Å; L194-Y268 HydrophobicContact CD2-CD1 4.38Å; L194-Y268 HydrophobicContact CD2-CE1 3.56Å; I199-Y268 HydrophobicContact CD1-CD1 3.91Å; I199-Y268 HydrophobicContact CD1-CE1 3.76Å; R200-Y268 PolarHBondContact O-OH 2.91Å; A202-Y268 HydrophobicContact CB-CE2 4.47Å; A202-Y268 PolarHBondContact N-OH 3.36Å; V205-Y268 HydrophobicContact CG2-CE2 3.56Å; I215-Y268 HydrophobicContact CD1-CD2 3.45Å; I215-Y268 VanDerWaalsContact CD1-CD2 3.45Å; I215-Y268 HydrophobicContact CD1-CE2 4.25Å; I215-Y268 HydrophobicContact CD1-CG 3.67Å; I215-Y268 HydrophobicContact CG1-CD2 3.92Å; I215-Y268 HydrophobicContact CG1-CE2 4.3Å; I215-Y268 HydrophobicContact CG2-CD2 4.4Å; F251-Y268 HydrophobicContact CD1-CD2 4.42Å; F251-Y268 HydrophobicContact CD1-CE2 4.39Å; F251-Y268 HydrophobicContact CE1-CD2 4.48Å; F251-Y268 HydrophobicContact CE1-CE2 4Å; F253-Y268 AromaticContact CE1-CE2 3.88Å; F253-Y268 HydrophobicContact CE1-CE2 3.88Å; F253-Y268 AromaticContact CE1-CZ 3.98Å; F253-Y268 HydrophobicContact CE2-CD2 4.24Å; F253-Y268 HydrophobicContact CE2-CE2 4.31Å; F253-Y268 AromaticContact CZ-CD2 3.57Å; F253-Y268 HydrophobicContact CZ-CD2 3.57Å; F253-Y268 HydrophobicContact CZ-CE1 4.42Å; F253-Y268 AromaticContact CZ-CE2 3.37Å; F253-Y268 HydrophobicContact CZ-CE2 3.37Å; F253-Y268 HydrophobicContact CZ-CG 4.19Å; F253-Y268 AromaticContact CZ-CZ 3.81Å; Y268-A272 HydrophobicContact CE1-CB 4.25Å; Y268-A272 WeakPolarHBondContact O-CB 3.26Å; Y268-A272 PolarHBondContact O-N 2.94Å; Y268-M284 VanDerWaalsContact CA-SD 3.59Å; Y268-M284 HydrophobicContact CD2-SD 4.11Å; Y268-M284 HydrophobicContact CG-SD 4.43Å |
| 269 | A | 94.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.9 | -43.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K197 I199 G267 A272 S273 N355 | K197-A269 HydrophobicContact CB-CB 4.24Å; K197-A269 HydrophobicContact CD-CB 3.93Å; K197-A269 HydrophobicContact CG-CB 4.22Å; I199-A269 HydrophobicContact CD1-CB 3.73Å; G267-A269 VanDerWaalsContact C-N 3.29Å; G267-A269 PolarHBondContact O-N 2.85Å; A269-A272 PolarHBondContact O-N 3.27Å; A269-S273 WeakPolarHBondContact O-CB 3.38Å; A269-S273 PolarHBondContact O-N 3.04Å; A269-S273 PolarHBondContact O-OG 2.88Å; A269-N355 HydrophobicContact CB-CB 4.16Å |
| 270 | T | 95.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.4 | -53.4 | 172.8 | -36.2 | 0 | 0 | 0 | 0 | 110.4 | A265 G267 A272 S273 L274 D312 F354 | A265-T270 HydrophobicContact CB-CG2 4.1Å; G267-T270 PolarHBondContact O-N 2.83Å; T270-A272 PolarHBondContact O-N 3.05Å; T270-S273 PolarHBondContact O-N 3.37Å; T270-L274 HydrophobicContact CG2-CD1 4.27Å; T270-L274 WeakPolarHBondContact O-CD1 3.33Å; T270-L274 WeakPolarHBondContact O-CG 3.47Å; T270-L274 PolarHBondContact O-N 3.18Å; T270-L274 VanDerWaalsContact O-N 3.07Å; T270-D312 WeakPolarHBondContact CG2-OD1 3.22Å; T270-F354 HydrophobicContact CG2-CB 3.79Å; T270-F354 HydrophobicContact CG2-CD2 3.9Å; T270-F354 HydrophobicContact CG2-CG 4.34Å |
| 271 | A | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F253 A265 G267 H275 V282 M284 | F253-A271 HydrophobicContact CD2-CB 3.78Å; F253-A271 HydrophobicContact CE2-CB 3.4Å; F253-A271 VanDerWaalsContact CE2-CB 3.4Å; F253-A271 HydrophobicContact CZ-CB 4.14Å; A265-A271 HydrophobicContact CB-CB 4.16Å; G267-A271 WeakPolarHBondContact O-CB 3.39Å; G267-A271 PolarHBondContact O-N 3Å; A271-H275 WeakPolarHBondContact O-CB 3.25Å; A271-H275 PolarHBondContact O-N 3.49Å; A271-V282 HydrophobicContact CB-CG1 3.87Å; A271-M284 HydrophobicContact CB-CB 4.09Å |
| 272 | A | 95.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I199 F253 Y268 A269 T270 H275 E276 | I199-A272 HydrophobicContact CB-CB 4.03Å; I199-A272 HydrophobicContact CD1-CB 4.05Å; I199-A272 HydrophobicContact CG2-CB 3.88Å; F253-A272 HydrophobicContact CD1-CB 4.4Å; F253-A272 VanDerWaalsContact CE1-CA 3.48Å; F253-A272 HydrophobicContact CE1-CB 3.5Å; F253-A272 HydrophobicContact CZ-CB 3.76Å; Y268-A272 HydrophobicContact CE1-CB 4.25Å; Y268-A272 WeakPolarHBondContact O-CB 3.26Å; Y268-A272 PolarHBondContact O-N 2.94Å; A269-A272 PolarHBondContact O-N 3.27Å; T270-A272 PolarHBondContact O-N 3.05Å; A272-H275 PolarHBondContact O-N 3.33Å; A272-E276 WeakPolarHBondContact O-CB 3.31Å; A272-E276 WeakPolarHBondContact O-CG 3.32Å; A272-E276 PolarHBondContact O-N 3.37Å |
| 273 | S | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68 | -44.4 | -178.9 | -49 | 0 | 0 | 0 | 0 | 111.2 | A269 T270 H275 E276 A277 N355 | A269-S273 WeakPolarHBondContact O-CB 3.38Å; A269-S273 PolarHBondContact O-N 3.04Å; A269-S273 PolarHBondContact O-OG 2.88Å; T270-S273 PolarHBondContact O-N 3.37Å; S273-H275 VanDerWaalsContact C-N 3.34Å; S273-H275 PolarHBondContact O-N 2.87Å; S273-E276 PolarHBondContact O-N 3.4Å; S273-A277 WeakPolarHBondContact O-CB 2.98Å; S273-A277 PolarHBondContact O-N 2.96Å; S273-N355 VanDerWaalsContact OG-CB 3.3Å; S273-N355 WeakPolarHBondContact OG-CB 3.44Å; S273-N355 PolarHBondContact OG-ND2 3.49Å |
| 274 | L | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 173.8 | -69.9 | 164.1 | 0 | 0 | 0 | 111.6 | L263 A265 T270 T278 V282 C310 F354 F366 M370 | L263-L274 HydrophobicContact CD2-CB 4.41Å; A265-L274 HydrophobicContact CB-CD1 3.71Å; T270-L274 HydrophobicContact CG2-CD1 4.27Å; T270-L274 WeakPolarHBondContact O-CD1 3.33Å; T270-L274 WeakPolarHBondContact O-CG 3.47Å; T270-L274 PolarHBondContact O-N 3.18Å; T270-L274 VanDerWaalsContact O-N 3.07Å; L274-T278 WeakPolarHBondContact O-CB 3.46Å; L274-T278 WeakPolarHBondContact O-CG2 3.36Å; L274-T278 PolarHBondContact O-N 2.88Å; L274-T278 PolarHBondContact O-OG1 2.97Å; L274-V282 HydrophobicContact CB-CG2 4.19Å; L274-C310 HydrophobicContact CD1-CB 3.53Å; L274-C310 HydrophobicContact CD2-CB 4.48Å; L274-F354 HydrophobicContact CD2-CB 4.43Å; L274-F354 HydrophobicContact CD2-CD1 4.08Å; L274-F354 HydrophobicContact CD2-CE1 4.5Å; L274-F354 HydrophobicContact CD2-CG 4.2Å; L274-F354 HydrophobicContact CG-CB 4.46Å; L274-F366 HydrophobicContact CD2-CZ 4.17Å; L274-M370 HydrophobicContact CD2-CE 3.56Å; L274-M370 HydrophobicContact CD2-CG 4.4Å; L274-M370 HydrophobicContact CD2-SD 3.94Å |
| 275 | H | 95.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 10.1 Ų | 10.1 | 23% | 0.231 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.5 | -50.5 | 177.4 | -178.3 | 55 | 0 | 0 | 0 | 112.4 | F253 G254 A271 A272 S273 A277 G279 L280 V282 | F253-H275 HydrophobicContact CB-CB 3.82Å; F253-H275 HydrophobicContact CD1-CB 4.26Å; F253-H275 HydrophobicContact CG-CB 4.25Å; G254-H275 PolarHBondContact N-CE1 3.1Å; A271-H275 WeakPolarHBondContact O-CB 3.25Å; A271-H275 PolarHBondContact O-N 3.49Å; A272-H275 PolarHBondContact O-N 3.33Å; S273-H275 VanDerWaalsContact C-N 3.34Å; S273-H275 PolarHBondContact O-N 2.87Å; H275-A277 VanDerWaalsContact C-N 3.33Å; H275-A277 PolarHBondContact O-N 3.07Å; H275-G279 WeakPolarHBondContact O-CA 3.31Å; H275-G279 PolarHBondContact O-N 2.72Å; H275-L280 PolarHBondContact ND1-O 2.7Å; H275-V282 HydrophobicContact CB-CG2 3.76Å |
| 276 | E | 92.8 | Very high | 94.5 | Very high | 45 Ų | 45 | 10.9 Ų | 10.9 | 21% | 0.21 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.3 | -34.2 | -178.8 | -73.8 | -175.2 | -150.3 | 0 | 0 | 112.7 | R200 A272 S273 R363 N383 | R200-E276 VanDerWaalsContact CB-OE1 3.31Å; R200-E276 WeakPolarHBondContact CB-OE1 3.24Å; R200-E276 WeakPolarHBondContact CG-OE1 3.37Å; R200-E276 PolarHBondContact N-OE1 2.85Å; A272-E276 WeakPolarHBondContact O-CB 3.31Å; A272-E276 WeakPolarHBondContact O-CG 3.32Å; A272-E276 PolarHBondContact O-N 3.37Å; S273-E276 PolarHBondContact O-N 3.4Å; E276-R363 IonicContact OE2-CZ 2.76Å; E276-R363 IonicContact OE2-NH1 2.81Å; E276-R363 PolarHBondContact OE2-NH1 3.35Å; E276-R363 IonicContact OE2-NH2 3.21Å; E276-N383 PolarHBondContact O-ND2 3.04Å |
| 277 | A | 91.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -75.7 | -51 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S273 H275 F366 Q367 N383 | S273-A277 WeakPolarHBondContact O-CB 2.98Å; S273-A277 PolarHBondContact O-N 2.96Å; H275-A277 VanDerWaalsContact C-N 3.33Å; H275-A277 PolarHBondContact O-N 3.07Å; A277-F366 HydrophobicContact CB-CD1 3.66Å; A277-F366 HydrophobicContact CB-CE1 3.59Å; A277-Q367 HydrophobicContact CB-CB 4.07Å; A277-Q367 WeakPolarHBondContact O-CG 3.42Å; A277-N383 VanDerWaalsContact O-CB 3.3Å; A277-N383 WeakPolarHBondContact O-CB 3.04Å; A277-N383 PolarHBondContact O-ND2 2.76Å |
| 278 | T | 91.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -85.6 | -29.9 | -171.4 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | L274 L280 M370 L374 P382 N383 | L274-T278 WeakPolarHBondContact O-CB 3.46Å; L274-T278 WeakPolarHBondContact O-CG2 3.36Å; L274-T278 PolarHBondContact O-N 2.88Å; L274-T278 PolarHBondContact O-OG1 2.97Å; T278-L280 PolarHBondContact OG1-N 2.85Å; T278-L280 VanDerWaalsContact OG1-N 3.12Å; T278-M370 HydrophobicContact CG2-CB 4.05Å; T278-L374 HydrophobicContact CG2-CD1 3.59Å; T278-P382 WeakPolarHBondContact O-CD 3.47Å; T278-N383 PolarHBondContact O-N 2.85Å |
| 279 | G | 90 | Very high | 93.8 | Very high | 29 Ų | 29 | 12 Ų | 12 | 30% | 0.299 | 7% | 0.074 | S | C | . | . | trans | 78.9 | -2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H275 N383 | H275-G279 WeakPolarHBondContact O-CA 3.31Å; H275-G279 PolarHBondContact O-N 2.72Å; G279-N383 PolarHBondContact N-ND2 2.56Å | ||
| 280 | L | 93.8 | Very high | 93.7 | Very high | 11 Ų | 11 | 12 Ų | 12 | 6% | 0.058 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -81.6 | 153.8 | 179.2 | -65.6 | 176.7 | 0 | 0 | 0 | 111.8 | P261 L263 H275 T278 L374 I379 T381 P382 | P261-L280 HydrophobicContact CB-CD1 4.28Å; P261-L280 HydrophobicContact CB-CD2 4.41Å; L263-L280 HydrophobicContact CD1-CB 4.17Å; L263-L280 HydrophobicContact CD1-CD1 3.68Å; H275-L280 PolarHBondContact ND1-O 2.7Å; T278-L280 PolarHBondContact OG1-N 2.85Å; T278-L280 VanDerWaalsContact OG1-N 3.12Å; L280-L374 HydrophobicContact CD1-CD1 4.02Å; L280-I379 HydrophobicContact CD1-CG2 3.91Å; L280-T381 HydrophobicContact CD1-CG2 4.27Å; L280-P382 HydrophobicContact CD2-CG 4.25Å |
| 281 | P | 95.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 11.9 Ų | 11.9 | 10% | 0.104 | 7% | 0.072 | C | C | . | . | trans | -66.2 | 144.1 | 172.7 | 28.8 | -34.6 | 0 | 0 | 0 | 111.3 | F253 P256 P261 L262 L263 | F253-P281 VanDerWaalsContact O-CA 3.29Å; F253-P281 WeakPolarHBondContact O-CA 3.28Å; P256-P281 HydrophobicContact CB-CB 4.34Å; P256-P281 HydrophobicContact CG-CB 4Å; P261-P281 WeakPolarHBondContact O-CG 3.46Å; L262-P281 HydrophobicContact CD1-CB 3.88Å; L262-P281 HydrophobicContact CD1-CG 3.91Å; L263-P281 PolarHBondContact N-O 2.92Å; L263-P281 VanDerWaalsContact N-O 3.09Å | ||
| 282 | V | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 130.6 | -178.8 | -166.6 | 0 | 0 | 0 | 0 | 110.6 | F253 L263 A265 A271 L274 H275 | F253-V282 HydrophobicContact CB-CB 4.21Å; F253-V282 PolarHBondContact N-O 2.83Å; F253-V282 PolarHBondContact O-N 2.7Å; L263-V282 HydrophobicContact CB-CB 4.37Å; L263-V282 HydrophobicContact CB-CG1 4.06Å; L263-V282 HydrophobicContact CB-CG2 4.04Å; L263-V282 CarbonylContact O-C 3.58Å; L263-V282 VanDerWaalsContact O-CA 3.3Å; L263-V282 WeakPolarHBondContact O-CA 3.43Å; A265-V282 HydrophobicContact CB-CG1 4.36Å; A271-V282 HydrophobicContact CB-CG1 3.87Å; L274-V282 HydrophobicContact CB-CG2 4.19Å; H275-V282 HydrophobicContact CB-CG2 3.76Å |
| 283 | L | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.7 | 168.9 | -55.4 | -164.1 | 0 | 0 | 0 | 110.4 | W250 T252 P256 L262 L263 F264 A265 T285 V294 A298 W302 | W250-L283 HydrophobicContact CD2-CD1 4.23Å; W250-L283 HydrophobicContact CG-CD1 4.22Å; T252-L283 HydrophobicContact CG2-CD2 3.87Å; P256-L283 HydrophobicContact CG-CD2 4.1Å; L262-L283 HydrophobicContact CD1-CD2 4.2Å; L262-L283 HydrophobicContact CD1-CG 4.06Å; L262-L283 HydrophobicContact CD2-CD1 4.09Å; L262-L283 HydrophobicContact CD2-CG 4.18Å; L262-L283 HydrophobicContact CG-CG 4.29Å; L263-L283 PolarHBondContact O-N 2.86Å; F264-L283 WeakPolarHBondContact CA-O 3.31Å; F264-L283 HydrophobicContact CD1-CB 4.06Å; F264-L283 HydrophobicContact CD1-CD1 4.35Å; F264-L283 HydrophobicContact CE1-CB 4.32Å; F264-L283 HydrophobicContact CE1-CD1 3.77Å; F264-L283 HydrophobicContact CE1-CG 4.32Å; F264-L283 HydrophobicContact CZ-CD1 4.23Å; A265-L283 PolarHBondContact N-O 2.88Å; L283-T285 PolarHBondContact O-N 3.16Å; L283-V294 HydrophobicContact CD1-CG1 4.23Å; L283-A298 HydrophobicContact CD1-CB 4.06Å; L283-W302 HydrophobicContact CD1-CH2 4.46Å; L283-W302 HydrophobicContact CD1-CZ3 3.84Å |
| 284 | M | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 113.3 | 169 | 175.9 | -168.5 | 167.1 | 0 | 0 | 109.2 | I215 F217 W250 F251 F253 A265 E266 Y268 A271 V286 | I215-M284 HydrophobicContact CG2-SD 4.28Å; F217-M284 HydrophobicContact CE1-CE 4.11Å; F217-M284 HydrophobicContact CE1-SD 4.35Å; F217-M284 HydrophobicContact CZ-CE 4.24Å; W250-M284 WeakPolarHBondContact CA-O 3.25Å; W250-M284 WeakPolarHBondContact CB-O 3.46Å; F251-M284 HydrophobicContact CB-CB 4.17Å; F251-M284 HydrophobicContact CB-SD 4.2Å; F251-M284 PolarHBondContact N-O 2.7Å; F251-M284 PolarHBondContact O-N 2.85Å; F253-M284 HydrophobicContact CE2-CB 4.18Å; A265-M284 CarbonylContact O-C 3.57Å; A265-M284 VanDerWaalsContact O-CA 3.31Å; A265-M284 WeakPolarHBondContact O-CA 3.48Å; E266-M284 WeakPolarHBondContact O-CG 3.44Å; Y268-M284 VanDerWaalsContact CA-SD 3.59Å; Y268-M284 HydrophobicContact CD2-SD 4.11Å; Y268-M284 HydrophobicContact CG-SD 4.43Å; A271-M284 HydrophobicContact CB-CB 4.09Å; M284-V286 VanDerWaalsContact C-N 3.32Å; M284-V286 PolarHBondContact O-N 2.98Å |
| 285 | T | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -85.2 | -0.8 | -176.4 | 75.1 | 0 | 0 | 0 | 0 | 113.6 | F264 A265 L283 D287 N290 M291 V294 | F264-T285 HydrophobicContact CB-CG2 4.32Å; F264-T285 HydrophobicContact CD1-CG2 4.26Å; A265-T285 PolarHBondContact O-N 3.44Å; L283-T285 PolarHBondContact O-N 3.16Å; T285-D287 PolarHBondContact O-N 2.85Å; T285-D287 PolarHBondContact OG1-O 2.86Å; T285-N290 VanDerWaalsContact O-CB 3.26Å; T285-N290 WeakPolarHBondContact O-CB 3.48Å; T285-N290 PolarHBondContact O-ND2 3.17Å; T285-M291 HydrophobicContact CG2-CB 4.25Å; T285-M291 HydrophobicContact CG2-CE 4.43Å; T285-M291 HydrophobicContact CG2-CG 4.08Å; T285-V294 HydrophobicContact CG2-CB 4.17Å; T285-V294 HydrophobicContact CG2-CG1 4.02Å | ||
| 286 | V | 92.2 | Very high | 93.7 | Very high | 15 Ų | 15 | 14.5 Ų | 14.5 | 9% | 0.091 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 74.6 | -43 | 179.5 | -163.7 | 0 | 0 | 0 | 0 | 114.2 | F217 I240 K246 E266 M284 | F217-V286 HydrophobicContact CD1-CG2 3.86Å; F217-V286 HydrophobicContact CD2-CG2 4.05Å; F217-V286 HydrophobicContact CE1-CG1 4.48Å; F217-V286 HydrophobicContact CE1-CG2 3.49Å; F217-V286 VanDerWaalsContact CE1-CG2 3.49Å; F217-V286 HydrophobicContact CE2-CB 4.37Å; F217-V286 HydrophobicContact CE2-CG1 3.7Å; F217-V286 HydrophobicContact CE2-CG2 3.67Å; F217-V286 HydrophobicContact CG-CG2 4.15Å; F217-V286 HydrophobicContact CZ-CB 4.1Å; F217-V286 HydrophobicContact CZ-CG1 3.57Å; F217-V286 HydrophobicContact CZ-CG2 3.37Å; I240-V286 HydrophobicContact CD1-CG1 3.61Å; I240-V286 HydrophobicContact CG1-CG1 4.39Å; K246-V286 HydrophobicContact CD-CG1 4.33Å; K246-V286 HydrophobicContact CG-CG1 4.48Å; E266-V286 CarbonylContact O-C 3.48Å; E266-V286 WeakPolarHBondContact O-CA 3.47Å; E266-V286 PolarHBondContact O-N 3.38Å; M284-V286 VanDerWaalsContact C-N 3.32Å; M284-V286 PolarHBondContact O-N 2.98Å |
| 287 | D | 91.2 | Very high | 93.8 | Very high | 35 Ų | 35 | 14.8 Ų | 14.8 | 19% | 0.187 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -161.6 | 162.1 | 169.7 | 52.9 | 82.8 | 0 | 0 | 0 | 111.5 | K246 T285 S289 N290 M291 | K246-D287 IonicContact NZ-OD1 3.05Å; K246-D287 PolarHBondContact NZ-OD1 3.17Å; K246-D287 IonicContact NZ-OD2 3.58Å; K246-D287 PolarHBondContact NZ-OD2 3.22Å; T285-D287 PolarHBondContact O-N 2.85Å; T285-D287 PolarHBondContact OG1-O 2.86Å; D287-S289 VanDerWaalsContact C-N 3.3Å; D287-S289 PolarHBondContact O-N 3.27Å; D287-S289 WeakPolarHBondContact OD1-CB 3.36Å; D287-S289 PolarHBondContact OD1-N 3.37Å; D287-S289 PolarHBondContact OD1-OG 2.84Å; D287-N290 WeakPolarHBondContact O-CB 3.04Å; D287-N290 PolarHBondContact O-N 3.29Å; D287-N290 PolarHBondContact OD1-N 3.35Å; D287-M291 PolarHBondContact O-N 2.91Å |
| 288 | A | 88.5 | Confident | 93.9 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 2% | 0.017 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -46.1 | -50.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E266 N290 M291 K321 S325 | E266-A288 VanDerWaalsContact CD-CB 3.5Å; E266-A288 HydrophobicContact CG-CB 4.47Å; E266-A288 WeakPolarHBondContact OE1-CB 3.35Å; E266-A288 WeakPolarHBondContact OE2-CA 3.26Å; E266-A288 VanDerWaalsContact OE2-CB 3.31Å; E266-A288 WeakPolarHBondContact OE2-CB 3.31Å; E266-A288 PolarHBondContact OE2-N 3.18Å; A288-N290 PolarHBondContact O-N 3.38Å; A288-N290 VanDerWaalsContact O-N 3.09Å; A288-M291 WeakPolarHBondContact O-CB 3.49Å; A288-M291 PolarHBondContact O-N 2.63Å; A288-K321 HydrophobicContact CB-CD 4.16Å; A288-K321 HydrophobicContact CB-CG 3.98Å; A288-S325 WeakPolarHBondContact CB-OG 3.4Å; A288-S325 WeakPolarHBondContact O-CB 3.46Å |
| 289 | S | 85.3 | Confident | 94.1 | Very high | 43 Ų | 43 | 17.3 Ų | 17.3 | 30% | 0.301 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -64.5 | -16 | -177.6 | 23.9 | 0 | 0 | 0 | 0 | 114.2 | D287 K321 | D287-S289 VanDerWaalsContact C-N 3.3Å; D287-S289 PolarHBondContact O-N 3.27Å; D287-S289 WeakPolarHBondContact OD1-CB 3.36Å; D287-S289 PolarHBondContact OD1-N 3.37Å; D287-S289 PolarHBondContact OD1-OG 2.84Å; S289-K321 PolarHBondContact OG-NZ 3.37Å |
| 290 | N | 94.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -96.5 | -13.5 | 173.6 | -168.3 | 41.4 | 0 | 0 | 0 | 112.6 | K246 T247 G248 N249 T285 D287 A288 I292 A293 V294 | K246-N290 PolarHBondContact O-ND2 3.42Å; T247-N290 VanDerWaalsContact CA-OD1 3.26Å; T247-N290 WeakPolarHBondContact CA-OD1 3.39Å; G248-N290 PolarHBondContact N-OD1 3.28Å; N249-N290 PolarHBondContact O-ND2 2.75Å; N249-N290 VanDerWaalsContact O-ND2 3.13Å; T285-N290 VanDerWaalsContact O-CB 3.26Å; T285-N290 WeakPolarHBondContact O-CB 3.48Å; T285-N290 PolarHBondContact O-ND2 3.17Å; D287-N290 WeakPolarHBondContact O-CB 3.04Å; D287-N290 PolarHBondContact O-N 3.29Å; D287-N290 PolarHBondContact OD1-N 3.35Å; A288-N290 PolarHBondContact O-N 3.38Å; A288-N290 VanDerWaalsContact O-N 3.09Å; N290-I292 VanDerWaalsContact C-N 3.34Å; N290-I292 PolarHBondContact O-N 2.89Å; N290-A293 PolarHBondContact O-N 2.64Å; N290-V294 WeakPolarHBondContact O-CG2 3.36Å; N290-V294 PolarHBondContact O-N 3.19Å |
| 291 | M | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | -175.6 | -173 | 171.6 | -67.8 | 0 | 0 | 112.4 | E266 T285 D287 A288 V294 A295 F309 A326 A329 | E266-M291 HydrophobicContact CG-CE 3.69Å; T285-M291 HydrophobicContact CG2-CB 4.25Å; T285-M291 HydrophobicContact CG2-CE 4.43Å; T285-M291 HydrophobicContact CG2-CG 4.08Å; D287-M291 PolarHBondContact O-N 2.91Å; A288-M291 WeakPolarHBondContact O-CB 3.49Å; A288-M291 PolarHBondContact O-N 2.63Å; M291-V294 PolarHBondContact O-N 3.49Å; M291-A295 VanDerWaalsContact O-CB 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.49Å; M291-A295 PolarHBondContact O-N 2.82Å; M291-F309 HydrophobicContact CG-CD1 3.86Å; M291-F309 HydrophobicContact CG-CE1 4.23Å; M291-F309 HydrophobicContact SD-CB 4.29Å; M291-F309 HydrophobicContact SD-CD1 3.78Å; M291-F309 HydrophobicContact SD-CG 4.44Å; M291-A326 VanDerWaalsContact SD-CA 3.52Å; M291-A326 HydrophobicContact SD-CB 3.78Å; M291-A329 HydrophobicContact CG-CB 3.99Å |
| 292 | I | 94 | Very high | 94.2 | Very high | 37 Ų | 37 | 26 Ų | 26 | 19% | 0.19 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 177.9 | -54.7 | 165.9 | 0 | 0 | 0 | 110.7 | N290 V294 A295 E296 K328 A329 | N290-I292 VanDerWaalsContact C-N 3.34Å; N290-I292 PolarHBondContact O-N 2.89Å; I292-V294 VanDerWaalsContact C-N 3.34Å; I292-V294 PolarHBondContact O-N 3.11Å; I292-A295 WeakPolarHBondContact O-CB 3.45Å; I292-A295 PolarHBondContact O-N 3.38Å; I292-A295 VanDerWaalsContact O-N 3.16Å; I292-E296 WeakPolarHBondContact O-CG 3.18Å; I292-E296 PolarHBondContact O-N 3.02Å; I292-K328 HydrophobicContact CD1-CB 3.84Å; I292-K328 HydrophobicContact CD1-CG 3.8Å; I292-K328 HydrophobicContact CG1-CB 4.2Å; I292-K328 HydrophobicContact CG1-CG 4.41Å; I292-A329 HydrophobicContact CG1-CB 4.34Å |
| 293 | A | 94.3 | Very high | 94 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 7% | 0.066 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.7 | -30.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T247 N290 E296 N297 | T247-A293 HydrophobicContact CG2-CB 3.93Å; N290-A293 PolarHBondContact O-N 2.64Å; A293-E296 WeakPolarHBondContact CA-OE2 3.36Å; A293-N297 WeakPolarHBondContact O-CB 3.44Å; A293-N297 PolarHBondContact O-N 2.99Å |
| 294 | V | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.8 | -37.2 | 171.4 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | W250 F264 L283 T285 N290 M291 I292 A298 | W250-V294 HydrophobicContact CB-CG1 3.98Å; W250-V294 HydrophobicContact CB-CG2 4.28Å; W250-V294 HydrophobicContact CD2-CG1 4.18Å; W250-V294 HydrophobicContact CE3-CB 4.44Å; W250-V294 HydrophobicContact CE3-CG1 3.84Å; W250-V294 HydrophobicContact CE3-CG2 4.25Å; W250-V294 HydrophobicContact CG-CG1 4.28Å; F264-V294 HydrophobicContact CD1-CG1 4.19Å; F264-V294 HydrophobicContact CE1-CG1 4.14Å; L283-V294 HydrophobicContact CD1-CG1 4.23Å; T285-V294 HydrophobicContact CG2-CB 4.17Å; T285-V294 HydrophobicContact CG2-CG1 4.02Å; N290-V294 WeakPolarHBondContact O-CG2 3.36Å; N290-V294 PolarHBondContact O-N 3.19Å; M291-V294 PolarHBondContact O-N 3.49Å; I292-V294 VanDerWaalsContact C-N 3.34Å; I292-V294 PolarHBondContact O-N 3.11Å; V294-A298 WeakPolarHBondContact O-CB 3.44Å; V294-A298 PolarHBondContact O-N 3.36Å |
| 295 | A | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -46.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M291 I292 N297 A298 R299 F309 A329 T333 | M291-A295 VanDerWaalsContact O-CB 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.49Å; M291-A295 PolarHBondContact O-N 2.82Å; I292-A295 WeakPolarHBondContact O-CB 3.45Å; I292-A295 PolarHBondContact O-N 3.38Å; I292-A295 VanDerWaalsContact O-N 3.16Å; A295-N297 VanDerWaalsContact C-N 3.35Å; A295-N297 PolarHBondContact O-N 3.42Å; A295-A298 PolarHBondContact O-N 3.41Å; A295-R299 WeakPolarHBondContact O-CB 3.22Å; A295-R299 PolarHBondContact O-N 2.85Å; A295-F309 HydrophobicContact CB-CE1 3.75Å; A295-F309 HydrophobicContact CB-CZ 3.7Å; A295-A329 HydrophobicContact CB-CB 3.91Å; A295-T333 HydrophobicContact CB-CG2 3.71Å |
| 296 | E | 95.5 | Very high | 93.5 | Very high | 61 Ų | 61 | 34.7 Ų | 34.7 | 29% | 0.285 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -51.1 | -52.5 | 171.9 | -73.7 | 170.4 | 158.3 | 0 | 0 | 111.1 | I292 A293 Q300 V332 K1341 | I292-E296 WeakPolarHBondContact O-CG 3.18Å; I292-E296 PolarHBondContact O-N 3.02Å; A293-E296 WeakPolarHBondContact CA-OE2 3.36Å; E296-Q300 WeakPolarHBondContact O-CG 3.46Å; E296-Q300 PolarHBondContact O-NE2 2.62Å; E296-V332 HydrophobicContact CG-CG1 4.09Å; E296-K1341 IonicContact OE1-NZ 3.87Å; E296-K1341 PolarHBondContact OE1-NZ 3.5Å; E296-K1341 IonicContact OE2-NZ 3.42Å; E296-K1341 PolarHBondContact OE2-NZ 3.15Å |
| 297 | N | 95.2 | Very high | 93.7 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.5 | -34 | -179 | -74.6 | -6.5 | 0 | 0 | 0 | 112.9 | G248 W250 A293 A295 I301 | G248-N297 WeakPolarHBondContact CA-ND2 3.37Å; G248-N297 PolarHBondContact O-ND2 2.78Å; W250-N297 HydrophobicContact CH2-CB 4.2Å; W250-N297 HydrophobicContact CZ3-CB 3.7Å; A293-N297 WeakPolarHBondContact O-CB 3.44Å; A293-N297 PolarHBondContact O-N 2.99Å; A295-N297 VanDerWaalsContact C-N 3.35Å; A295-N297 PolarHBondContact O-N 3.42Å; N297-I301 WeakPolarHBondContact O-CD1 3.18Å; N297-I301 WeakPolarHBondContact O-CG1 3.4Å |
| 298 | A | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.1 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F264 L283 V294 A295 Q300 I301 W302 F307 | F264-A298 HydrophobicContact CE1-CB 3.79Å; F264-A298 HydrophobicContact CZ-CB 3.76Å; L283-A298 HydrophobicContact CD1-CB 4.06Å; V294-A298 WeakPolarHBondContact O-CB 3.44Å; V294-A298 PolarHBondContact O-N 3.36Å; A295-A298 PolarHBondContact O-N 3.41Å; A298-Q300 PolarHBondContact O-N 3.27Å; A298-I301 PolarHBondContact O-N 2.92Å; A298-W302 HydrophobicContact CB-CE3 3.86Å; A298-W302 HydrophobicContact CB-CZ3 3.98Å; A298-W302 PolarHBondContact O-N 3.46Å; A298-F307 HydrophobicContact CB-CE2 3.96Å; A298-F307 HydrophobicContact CB-CZ 3.82Å |
| 299 | R | 95.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -24.2 | 178.5 | -179.3 | 57.3 | 74.2 | -143.9 | 2.1 | 112.4 | A295 I301 W302 T303 S305 F307 T333 | A295-R299 WeakPolarHBondContact O-CB 3.22Å; A295-R299 PolarHBondContact O-N 2.85Å; R299-I301 VanDerWaalsContact C-N 3.27Å; R299-I301 PolarHBondContact O-N 3.26Å; R299-W302 PolarHBondContact NH1-O 3.41Å; R299-T303 WeakPolarHBondContact CD-O 3.47Å; R299-T303 PolarHBondContact NH1-O 2.93Å; R299-T303 WeakPolarHBondContact O-CA 3.45Å; R299-S305 PolarHBondContact NH1-O 2.79Å; R299-S305 PolarHBondContact NH2-O 2.95Å; R299-S305 VanDerWaalsContact NH2-O 3.16Å; R299-F307 HydrophobicContact CB-CE2 3.85Å; R299-F307 HydrophobicContact CB-CZ 4.3Å; R299-T333 HydrophobicContact CB-CG2 4.01Å; R299-T333 PolarHBondContact NE-O 3.34Å; R299-T333 PolarHBondContact NH2-O 3.2Å |
| 300 | Q | 92.9 | Very high | 94.9 | Very high | 147 Ų | 147 | 30.3 Ų | 30.3 | 69% | 0.687 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -9.7 | 172.8 | -65.3 | 170.3 | 28.4 | 0 | 0 | 114.3 | E296 A298 | E296-Q300 WeakPolarHBondContact O-CG 3.46Å; E296-Q300 PolarHBondContact O-NE2 2.62Å; A298-Q300 PolarHBondContact O-N 3.27Å |
| 301 | I | 93.2 | Very high | 94.9 | Very high | 60 Ų | 60 | 30.3 Ų | 30.3 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -40.4 | -175.1 | -56 | 162.2 | 0 | 0 | 0 | 110.7 | W250 N297 A298 R299 | W250-I301 HydrophobicContact CH2-CD1 3.64Å; W250-I301 HydrophobicContact CZ2-CD1 3.93Å; N297-I301 WeakPolarHBondContact O-CD1 3.18Å; N297-I301 WeakPolarHBondContact O-CG1 3.4Å; A298-I301 PolarHBondContact O-N 2.92Å; R299-I301 VanDerWaalsContact C-N 3.27Å; R299-I301 PolarHBondContact O-N 3.26Å |
| 302 | W | 94.5 | Very high | 94.7 | Very high | 32 Ų | 32 | 31.3 Ų | 31.3 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -117.8 | 60.2 | -178.5 | -57.9 | -70.3 | 0 | 0 | 0 | 109.2 | W250 P256 N258 L262 L283 A298 R299 D304 S305 F307 | W250-W302 AromaticContact CZ2-CH2 3.85Å; W250-W302 HydrophobicContact CZ2-CH2 3.85Å; W250-W302 AromaticContact CZ2-CZ3 3.85Å; W250-W302 HydrophobicContact CZ2-CZ3 3.85Å; P256-W302 HydrophobicContact CB-CD2 4.19Å; P256-W302 VanDerWaalsContact CB-CE2 3.49Å; P256-W302 HydrophobicContact CB-CH2 4.3Å; P256-W302 HydrophobicContact CB-CZ2 3.56Å; P256-W302 HydrophobicContact CG-CH2 4.29Å; P256-W302 HydrophobicContact CG-CZ2 3.89Å; P256-W302 PolarHBondContact O-NE1 3.28Å; N258-W302 WeakPolarHBondContact OD1-CA 3.15Å; L262-W302 HydrophobicContact CD2-CD2 4.04Å; L262-W302 HydrophobicContact CD2-CE3 3.7Å; L262-W302 HydrophobicContact CD2-CG 4.44Å; L262-W302 HydrophobicContact CD2-CZ3 4.23Å; L283-W302 HydrophobicContact CD1-CH2 4.46Å; L283-W302 HydrophobicContact CD1-CZ3 3.84Å; A298-W302 HydrophobicContact CB-CE3 3.86Å; A298-W302 HydrophobicContact CB-CZ3 3.98Å; A298-W302 PolarHBondContact O-N 3.46Å; R299-W302 PolarHBondContact NH1-O 3.41Å; W302-D304 VanDerWaalsContact C-N 3.29Å; W302-D304 PolarHBondContact O-N 3.35Å; W302-S305 WeakPolarHBondContact O-CB 3.3Å; W302-S305 PolarHBondContact O-N 2.82Å; W302-S305 VanDerWaalsContact O-N 3.15Å; W302-F307 HydrophobicContact CB-CE1 4.19Å; W302-F307 HydrophobicContact CB-CZ 4.39Å |
| 303 | T | 93.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 30.5 Ų | 30.5 | 41% | 0.411 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -43.1 | -171.5 | -38.5 | 0 | 0 | 0 | 0 | 113 | N258 R299 Y431 | N258-T303 PolarHBondContact OD1-N 3.46Å; N258-T303 VanDerWaalsContact OD1-N 3.11Å; R299-T303 WeakPolarHBondContact CD-O 3.47Å; R299-T303 PolarHBondContact NH1-O 2.93Å; R299-T303 WeakPolarHBondContact O-CA 3.45Å; T303-Y431 HydrophobicContact CG2-CE1 4.17Å |
| 304 | D | 92.4 | Very high | 94.2 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 31% | 0.31 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -7.5 | -175.4 | -53.3 | -61.7 | 0 | 0 | 0 | 113.7 | N258 W302 Y431 | N258-D304 PolarHBondContact ND2-OD2 2.81Å; N258-D304 PolarHBondContact OD1-N 2.93Å; W302-D304 VanDerWaalsContact C-N 3.29Å; W302-D304 PolarHBondContact O-N 3.35Å; D304-Y431 WeakPolarHBondContact OD2-CE2 3.42Å; D304-Y431 VanDerWaalsContact OD2-CZ 3.25Å; D304-Y431 PolarHBondContact OD2-OH 2.76Å |
| 305 | S | 94.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 130.7 | -171.5 | -81.3 | 0 | 0 | 0 | 0 | 113.2 | E257 G259 R260 R299 W302 F307 | E257-S305 PolarHBondContact O-OG 2.97Å; E257-S305 VanDerWaalsContact O-OG 3.09Å; G259-S305 PolarHBondContact N-OG 3.43Å; R260-S305 PolarHBondContact N-OG 2.89Å; R260-S305 WeakPolarHBondContact O-CB 3.03Å; R260-S305 PolarHBondContact O-OG 3.14Å; R299-S305 PolarHBondContact NH1-O 2.79Å; R299-S305 PolarHBondContact NH2-O 2.95Å; R299-S305 VanDerWaalsContact NH2-O 3.16Å; W302-S305 WeakPolarHBondContact O-CB 3.3Å; W302-S305 PolarHBondContact O-N 2.82Å; W302-S305 VanDerWaalsContact O-N 3.15Å; S305-F307 WeakPolarHBondContact O-CD1 3.25Å; S305-F307 PolarHBondContact O-N 2.87Å |
| 306 | P | 94.6 | Very high | 92.7 | Very high | 57 Ų | 57 | 41 Ų | 41 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -60.9 | 120.6 | 166.4 | -22.7 | 33.8 | 0 | 0 | 0 | 110.4 | P261 L262 I379 | P261-P306 WeakPolarHBondContact CA-O 3.23Å; L262-P306 PolarHBondContact N-O 2.67Å; P306-I379 HydrophobicContact CB-CD1 4.08Å; P306-I379 HydrophobicContact CB-CG1 4.47Å |
| 307 | F | 97.1 | Very high | 92 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.6 | -179.1 | -75.8 | 3.9 | 0 | 0 | 0 | 110.6 | L262 F264 A298 R299 W302 S305 F309 T333 G335 E336 | L262-F307 HydrophobicContact CB-CD1 4.07Å; L262-F307 HydrophobicContact CB-CE1 4.21Å; L262-F307 HydrophobicContact CD2-CD1 4.43Å; L262-F307 HydrophobicContact CD2-CE1 3.86Å; L262-F307 HydrophobicContact CD2-CZ 4.42Å; L262-F307 WeakPolarHBondContact O-CA 3.22Å; F264-F307 HydrophobicContact CD2-CB 4.44Å; F264-F307 HydrophobicContact CE2-CB 3.79Å; F264-F307 AromaticContact CE2-CD1 3.73Å; F264-F307 HydrophobicContact CE2-CD1 3.73Å; F264-F307 AromaticContact CE2-CD2 3.71Å; F264-F307 HydrophobicContact CE2-CD2 3.71Å; F264-F307 HydrophobicContact CE2-CE1 4.19Å; F264-F307 HydrophobicContact CE2-CE2 4.18Å; F264-F307 AromaticContact CE2-CG 3.47Å; F264-F307 HydrophobicContact CE2-CG 3.47Å; F264-F307 VanDerWaalsContact CE2-CG 3.47Å; F264-F307 HydrophobicContact CE2-CZ 4.41Å; F264-F307 HydrophobicContact CZ-CD1 4.07Å; F264-F307 AromaticContact CZ-CD2 3.64Å; F264-F307 HydrophobicContact CZ-CD2 3.64Å; F264-F307 HydrophobicContact CZ-CE1 4.09Å; F264-F307 AromaticContact CZ-CE2 3.67Å; F264-F307 HydrophobicContact CZ-CE2 3.67Å; F264-F307 AromaticContact CZ-CG 3.86Å; F264-F307 HydrophobicContact CZ-CG 3.86Å; F264-F307 AromaticContact CZ-CZ 3.91Å; F264-F307 HydrophobicContact CZ-CZ 3.91Å; A298-F307 HydrophobicContact CB-CE2 3.96Å; A298-F307 HydrophobicContact CB-CZ 3.82Å; R299-F307 HydrophobicContact CB-CE2 3.85Å; R299-F307 HydrophobicContact CB-CZ 4.3Å; W302-F307 HydrophobicContact CB-CE1 4.19Å; W302-F307 HydrophobicContact CB-CZ 4.39Å; S305-F307 WeakPolarHBondContact O-CD1 3.25Å; S305-F307 PolarHBondContact O-N 2.87Å; F307-F309 HydrophobicContact CB-CE2 3.85Å; F307-F309 HydrophobicContact CB-CZ 4.07Å; F307-F309 HydrophobicContact CD2-CZ 4.08Å; F307-T333 HydrophobicContact CD2-CG2 4.21Å; F307-T333 HydrophobicContact CE2-CG2 4.31Å; F307-G335 CarbonylContact O-C 3.48Å; F307-G335 VanDerWaalsContact O-CA 3.24Å; F307-G335 WeakPolarHBondContact O-CA 3.39Å; F307-E336 PolarHBondContact O-N 2.82Å |
| 308 | V | 96.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 111.3 | -178.3 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | L262 L263 F264 E336 I338 L374 I377 I379 | L262-V308 PolarHBondContact O-N 3.07Å; L263-V308 CarbonylContact C-O 3.59Å; L263-V308 WeakPolarHBondContact CA-O 3.15Å; L263-V308 HydrophobicContact CD1-CB 4.07Å; L263-V308 HydrophobicContact CD1-CG2 4.31Å; L263-V308 HydrophobicContact CG-CB 4.07Å; L263-V308 HydrophobicContact CG-CG1 4.38Å; F264-V308 PolarHBondContact N-O 3.08Å; V308-E336 WeakPolarHBondContact CA-O 3.29Å; V308-I338 HydrophobicContact CG1-CD1 3.44Å; V308-I338 VanDerWaalsContact CG1-CD1 3.44Å; V308-I338 HydrophobicContact CG1-CG1 3.67Å; V308-L374 HydrophobicContact CG1-CD2 4.23Å; V308-L374 HydrophobicContact CG2-CD2 4.37Å; V308-I377 HydrophobicContact CG1-CD1 4.26Å; V308-I377 HydrophobicContact CG2-CD1 3.94Å; V308-I379 HydrophobicContact CG2-CD1 3.27Å |
| 309 | F | 97.3 | Very high | 90 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 108.1 | -178.8 | -60.9 | -82.1 | 0 | 0 | 0 | 110.1 | F264 M291 A295 F307 A311 A326 A329 A330 T333 E336 V337 I338 | F264-F309 HydrophobicContact CB-CD1 3.56Å; F264-F309 HydrophobicContact CB-CE1 3.83Å; F264-F309 HydrophobicContact CB-CG 4.47Å; F264-F309 HydrophobicContact CD1-CD1 4.39Å; F264-F309 AromaticContact CD1-CE1 3.77Å; F264-F309 HydrophobicContact CD1-CE1 3.77Å; F264-F309 HydrophobicContact CD2-CD1 4.07Å; F264-F309 AromaticContact CD2-CE1 3.7Å; F264-F309 HydrophobicContact CD2-CE1 3.7Å; F264-F309 HydrophobicContact CD2-CZ 4.08Å; F264-F309 HydrophobicContact CE1-CE1 4.22Å; F264-F309 HydrophobicContact CE2-CE1 4.19Å; F264-F309 HydrophobicContact CE2-CZ 4.21Å; F264-F309 AromaticContact CG-CD1 3.78Å; F264-F309 HydrophobicContact CG-CD1 3.78Å; F264-F309 AromaticContact CG-CE1 3.5Å; F264-F309 HydrophobicContact CG-CE1 3.5Å; F264-F309 VanDerWaalsContact CG-CE1 3.5Å; F264-F309 HydrophobicContact CG-CZ 4.31Å; F264-F309 HydrophobicContact CZ-CE1 4.43Å; M291-F309 HydrophobicContact CG-CD1 3.86Å; M291-F309 HydrophobicContact CG-CE1 4.23Å; M291-F309 HydrophobicContact SD-CB 4.29Å; M291-F309 HydrophobicContact SD-CD1 3.78Å; M291-F309 HydrophobicContact SD-CG 4.44Å; A295-F309 HydrophobicContact CB-CE1 3.75Å; A295-F309 HydrophobicContact CB-CZ 3.7Å; F307-F309 HydrophobicContact CB-CE2 3.85Å; F307-F309 HydrophobicContact CB-CZ 4.07Å; F307-F309 HydrophobicContact CD2-CZ 4.08Å; F309-A311 PolarHBondContact O-N 2.85Å; F309-A326 HydrophobicContact CB-CB 3.77Å; F309-A329 HydrophobicContact CD1-CB 3.78Å; F309-A329 HydrophobicContact CD2-CB 4.47Å; F309-A329 HydrophobicContact CE1-CB 3.57Å; F309-A329 HydrophobicContact CE2-CB 4.28Å; F309-A329 HydrophobicContact CG-CB 4.25Å; F309-A329 HydrophobicContact CZ-CB 3.84Å; F309-A330 HydrophobicContact CD2-CB 3.82Å; F309-A330 HydrophobicContact CE2-CB 4.22Å; F309-T333 WeakPolarHBondContact CE2-OG1 3.41Å; F309-T333 WeakPolarHBondContact CZ-OG1 3.4Å; F309-E336 PolarHBondContact N-O 2.85Å; F309-V337 WeakPolarHBondContact O-CA 3.48Å; F309-I338 PolarHBondContact O-N 3.19Å |
| 310 | C | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 98.3 | 178 | -58.6 | 0 | 0 | 0 | 0 | 108 | F264 A265 L274 I338 F354 | F264-C310 WeakPolarHBondContact O-CB 3.18Å; F264-C310 PolarHBondContact O-N 3.27Å; A265-C310 HydrophobicContact CB-CB 4.4Å; L274-C310 HydrophobicContact CD1-CB 3.53Å; L274-C310 HydrophobicContact CD2-CB 4.48Å; C310-I338 WeakPolarHBondContact CA-O 3.07Å; C310-F354 HydrophobicContact CB-CD2 4.14Å; C310-F354 HydrophobicContact CB-CE2 3.56Å; C310-F354 HydrophobicContact CB-CZ 3.97Å |
| 311 | A | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -85.7 | 138.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F309 V323 A326 I338 I339 P340 F354 | F309-A311 PolarHBondContact O-N 2.85Å; A311-V323 HydrophobicContact CB-CB 4.49Å; A311-V323 HydrophobicContact CB-CG2 3.94Å; A311-A326 HydrophobicContact CB-CB 3.66Å; A311-I338 PolarHBondContact N-O 3.17Å; A311-I339 HydrophobicContact CB-CG1 4.5Å; A311-P340 WeakPolarHBondContact O-CD 3.44Å; A311-F354 WeakPolarHBondContact O-CE2 3.46Å | ||
| 312 | D | 92.3 | Very high | 88.8 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | trans | -71.4 | 142.2 | 166.4 | -67.6 | -22.8 | 0 | 0 | 0 | 109.5 | T270 N320 D353 | T270-D312 WeakPolarHBondContact CG2-OD1 3.22Å; D312-N320 PolarHBondContact O-OD1 3.35Å; D312-D353 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 313 | N | 90.7 | Very high | 88.7 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | trans | -104.2 | 83 | -171.5 | -170 | 0.7 | 0 | 0 | 0 | 111.3 | H315 N320 I339 P340 F342 T352 | N313-H315 PolarHBondContact O-CD2 2.68Å; N313-H315 PolarHBondContact O-N 2.65Å; N313-N320 PolarHBondContact OD1-ND2 2.95Å; N313-N320 VanDerWaalsContact OD1-ND2 3.08Å; N313-I339 HydrophobicContact CB-CG2 3.88Å; N313-P340 HydrophobicContact CB-CG 3.79Å; N313-P340 PolarHBondContact ND2-O 3.2Å; N313-F342 HydrophobicContact CB-CE2 4.25Å; N313-T352 PolarHBondContact N-O 3.48Å; N313-T352 WeakPolarHBondContact O-CB 3.47Å; N313-T352 WeakPolarHBondContact O-CG2 3.24Å | ||
| 314 | D | 86.3 | Confident | 88.5 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | trans | -69.5 | 58.5 | 174.6 | -84 | -28.7 | 0 | 0 | 0 | 112.5 | Q316 R317 N320 | D314-Q316 PolarHBondContact O-N 2.92Å; D314-R317 HydrophobicContact CB-CB 4.23Å; D314-R317 HydrophobicContact CB-CG 4.2Å; D314-R317 VanDerWaalsContact CG-NH1 3.29Å; D314-R317 PolarHBondContact O-N 3.38Å; D314-R317 IonicContact OD1-NH1 2.93Å; D314-R317 PolarHBondContact OD1-NH1 2.73Å; D314-R317 IonicContact OD2-CZ 2.69Å; D314-R317 IonicContact OD2-NE 2.74Å; D314-R317 IonicContact OD2-NH1 3.28Å; D314-R317 PolarHBondContact OD2-NH1 3.31Å; D314-N320 HydrophobicContact CB-CB 4.41Å; D314-N320 PolarHBondContact N-ND2 2.95Å; D314-N320 PolarHBondContact N-OD1 2.66Å | ||
| 315 | H | 82.7 | Confident | 88.4 | Confident | 55 Ų | 55 | 52 Ų | 52 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11.7 | -175.6 | 58.7 | 78.8 | 0 | 0 | 0 | 115.2 | N313 K347 L351 | N313-H315 PolarHBondContact O-CD2 2.68Å; N313-H315 PolarHBondContact O-N 2.65Å; H315-K347 PolarHBondContact CE1-O 2.93Å; H315-L351 PolarHBondContact NE2-O 2.8Å |
| 316 | Q | 79.3 | Confident | 88.4 | Confident | 144 Ų | 144 | 52 Ų | 52 | 67% | 0.673 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -1.4 | 173 | -59.9 | -175.6 | -5.9 | 0 | 0 | 113.6 | D314 | D314-Q316 PolarHBondContact O-N 2.92Š|
| 317 | R | 80.2 | Confident | 88.3 | Confident | 157 Ų | 157 | 51.4 Ų | 51.4 | 59% | 0.592 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -110.8 | 141.3 | 179 | -65.7 | -175.9 | 170.8 | 141.1 | 2.7 | 111 | D314 I319 | D314-R317 HydrophobicContact CB-CB 4.23Å; D314-R317 HydrophobicContact CB-CG 4.2Å; D314-R317 VanDerWaalsContact CG-NH1 3.29Å; D314-R317 PolarHBondContact O-N 3.38Å; D314-R317 IonicContact OD1-NH1 2.93Å; D314-R317 PolarHBondContact OD1-NH1 2.73Å; D314-R317 IonicContact OD2-CZ 2.69Å; D314-R317 IonicContact OD2-NE 2.74Å; D314-R317 IonicContact OD2-NH1 3.28Å; D314-R317 PolarHBondContact OD2-NH1 3.31Å; R317-I319 VanDerWaalsContact C-N 3.34Å; R317-I319 PolarHBondContact O-N 2.66Å |
| 318 | E | 72.1 | Confident | 88 | Confident | 202 Ų | 202 | 55.2 Ų | 55.2 | 94% | 0.944 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -57 | -46.3 | 171.5 | -177.4 | -178.4 | -171.4 | 0 | 0 | 111.7 | ||
| 319 | I | 75.3 | Confident | 87.9 | Confident | 121 Ų | 121 | 55.2 Ų | 55.2 | 62% | 0.621 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -104.7 | 104.6 | 171.2 | -57 | 176.8 | 0 | 0 | 0 | 108.9 | R317 K321 | R317-I319 VanDerWaalsContact C-N 3.34Å; R317-I319 PolarHBondContact O-N 2.66Å; I319-K321 PolarHBondContact O-N 3Å |
| 320 | N | 85.9 | Confident | 87.7 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 17% | 0.171 | 26% | 0.262 | C | S | . | . | trans | -73.6 | 90.9 | 171.8 | -175.4 | -22.3 | 0 | 0 | 0 | 109.8 | D312 N313 D314 G322 V323 F324 | D312-N320 PolarHBondContact O-OD1 3.35Å; N313-N320 PolarHBondContact OD1-ND2 2.95Å; N313-N320 VanDerWaalsContact OD1-ND2 3.08Å; D314-N320 HydrophobicContact CB-CB 4.41Å; D314-N320 PolarHBondContact N-ND2 2.95Å; D314-N320 PolarHBondContact N-OD1 2.66Å; N320-G322 VanDerWaalsContact C-N 3.31Å; N320-G322 PolarHBondContact O-N 2.97Å; N320-V323 HydrophobicContact CB-CB 4.33Å; N320-V323 VanDerWaalsContact ND2-CG2 3.35Å; N320-V323 WeakPolarHBondContact ND2-CG2 3.49Å; N320-V323 PolarHBondContact O-N 3.01Å; N320-V323 WeakPolarHBondContact OD1-CG2 3.25Å; N320-V323 PolarHBondContact OD1-N 2.91Å; N320-F324 WeakPolarHBondContact O-CB 3.26Å; N320-F324 PolarHBondContact O-N 3.42Å | ||
| 321 | K | 85.5 | Confident | 87.5 | Confident | 94 Ų | 94 | 61.3 Ų | 61.3 | 41% | 0.409 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -36 | -171.5 | -171.6 | -172.8 | 173.4 | -168.9 | 0 | 113.1 | A288 S289 I319 S325 | A288-K321 HydrophobicContact CB-CD 4.16Å; A288-K321 HydrophobicContact CB-CG 3.98Å; S289-K321 PolarHBondContact OG-NZ 3.37Å; I319-K321 PolarHBondContact O-N 3Å; K321-S325 WeakPolarHBondContact O-CB 3.45Å; K321-S325 PolarHBondContact O-N 2.75Å; K321-S325 PolarHBondContact O-OG 3.15Å |
| 322 | G | 86.4 | Confident | 87.4 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -54.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | E266 N320 F324 S325 A326 | E266-G322 WeakPolarHBondContact OE1-CA 3.39Å; N320-G322 VanDerWaalsContact C-N 3.31Å; N320-G322 PolarHBondContact O-N 2.97Å; G322-F324 PolarHBondContact O-N 3.23Å; G322-S325 PolarHBondContact O-N 3.22Å; G322-A326 WeakPolarHBondContact O-CB 3.3Å; G322-A326 PolarHBondContact O-N 3.32Å |
| 323 | V | 90.8 | Very high | 87.4 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.127 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.3 | 175 | 0 | 0 | 0 | 0 | 112.1 | A311 N320 S325 A326 T327 I339 L398 | A311-V323 HydrophobicContact CB-CB 4.49Å; A311-V323 HydrophobicContact CB-CG2 3.94Å; N320-V323 HydrophobicContact CB-CB 4.33Å; N320-V323 VanDerWaalsContact ND2-CG2 3.35Å; N320-V323 WeakPolarHBondContact ND2-CG2 3.49Å; N320-V323 PolarHBondContact O-N 3.01Å; N320-V323 WeakPolarHBondContact OD1-CG2 3.25Å; N320-V323 PolarHBondContact OD1-N 2.91Å; V323-S325 PolarHBondContact O-N 3.42Å; V323-A326 PolarHBondContact O-N 2.76Å; V323-T327 WeakPolarHBondContact O-CB 3.43Å; V323-T327 PolarHBondContact O-N 2.96Å; V323-T327 PolarHBondContact O-OG1 3.25Å; V323-I339 HydrophobicContact CB-CD1 4.39Å; V323-I339 HydrophobicContact CG1-CD1 3.79Å; V323-I339 HydrophobicContact CG2-CD1 3.64Å; V323-I339 HydrophobicContact CG2-CG1 4.07Å; V323-I339 HydrophobicContact CG2-CG2 4.35Å; V323-L398 HydrophobicContact CG1-CD1 4.4Å |
| 324 | F | 89.1 | Confident | 87.3 | Confident | 128 Ų | 128 | 70.6 Ų | 70.6 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.9 | -47.8 | 175.6 | 175.3 | -94.4 | 0 | 0 | 0 | 112 | N320 G322 T327 K328 | N320-F324 WeakPolarHBondContact O-CB 3.26Å; N320-F324 PolarHBondContact O-N 3.42Å; G322-F324 PolarHBondContact O-N 3.23Å; F324-T327 PolarHBondContact O-N 3.47Å; F324-K328 PolarHBondContact O-N 3.13Å |
| 325 | S | 90.5 | Very high | 87.6 | Confident | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.5 | -34.6 | -176.6 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | A288 K321 G322 V323 A329 | A288-S325 WeakPolarHBondContact CB-OG 3.4Å; A288-S325 WeakPolarHBondContact O-CB 3.46Å; K321-S325 WeakPolarHBondContact O-CB 3.45Å; K321-S325 PolarHBondContact O-N 2.75Å; K321-S325 PolarHBondContact O-OG 3.15Å; G322-S325 PolarHBondContact O-N 3.22Å; V323-S325 PolarHBondContact O-N 3.42Å; S325-A329 VanDerWaalsContact O-CB 3.29Å; S325-A329 WeakPolarHBondContact O-CB 3.42Å; S325-A329 PolarHBondContact O-N 2.74Å |
| 326 | A | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M291 F309 A311 G322 V323 A329 A330 V337 | M291-A326 VanDerWaalsContact SD-CA 3.52Å; M291-A326 HydrophobicContact SD-CB 3.78Å; F309-A326 HydrophobicContact CB-CB 3.77Å; A311-A326 HydrophobicContact CB-CB 3.66Å; G322-A326 WeakPolarHBondContact O-CB 3.3Å; G322-A326 PolarHBondContact O-N 3.32Å; V323-A326 PolarHBondContact O-N 2.76Å; A326-A329 PolarHBondContact O-N 3.09Å; A326-A330 VanDerWaalsContact O-CB 3.31Å; A326-A330 WeakPolarHBondContact O-CB 3.48Å; A326-A330 PolarHBondContact O-N 2.75Å; A326-V337 HydrophobicContact CB-CG1 4.07Å |
| 327 | T | 93 | Very high | 88.9 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | V323 F324 A329 A330 E331 | V323-T327 WeakPolarHBondContact O-CB 3.43Å; V323-T327 PolarHBondContact O-N 2.96Å; V323-T327 PolarHBondContact O-OG1 3.25Å; F324-T327 PolarHBondContact O-N 3.47Å; T327-A329 PolarHBondContact O-N 3.16Å; T327-A330 WeakPolarHBondContact O-CB 3.44Å; T327-A330 PolarHBondContact O-N 2.92Å; T327-E331 WeakPolarHBondContact O-CG 3.41Å; T327-E331 PolarHBondContact O-N 3.27Å |
| 328 | K | 90.9 | Very high | 89.5 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 37% | 0.365 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 177.6 | -160.6 | 73.5 | -156.1 | 164.3 | 0 | 112.9 | I292 F324 E331 V332 | I292-K328 HydrophobicContact CD1-CB 3.84Å; I292-K328 HydrophobicContact CD1-CG 3.8Å; I292-K328 HydrophobicContact CG1-CB 4.2Å; I292-K328 HydrophobicContact CG1-CG 4.41Å; F324-K328 PolarHBondContact O-N 3.13Å; K328-E331 WeakPolarHBondContact CD-OE2 3.32Å; K328-E331 WeakPolarHBondContact CE-OE2 3.46Å; K328-E331 IonicContact NZ-OE2 3.14Å; K328-E331 PolarHBondContact NZ-OE2 3.18Å; K328-V332 VanDerWaalsContact O-CG2 3.31Å; K328-V332 WeakPolarHBondContact O-CG2 3.42Å; K328-V332 PolarHBondContact O-N 2.62Å; K328-V332 VanDerWaalsContact O-N 3.12Å |
| 329 | A | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -37.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M291 I292 A295 F309 S325 A326 T327 T333 | M291-A329 HydrophobicContact CG-CB 3.99Å; I292-A329 HydrophobicContact CG1-CB 4.34Å; A295-A329 HydrophobicContact CB-CB 3.91Å; F309-A329 HydrophobicContact CD1-CB 3.78Å; F309-A329 HydrophobicContact CD2-CB 4.47Å; F309-A329 HydrophobicContact CE1-CB 3.57Å; F309-A329 HydrophobicContact CE2-CB 4.28Å; F309-A329 HydrophobicContact CG-CB 4.25Å; F309-A329 HydrophobicContact CZ-CB 3.84Å; S325-A329 VanDerWaalsContact O-CB 3.29Å; S325-A329 WeakPolarHBondContact O-CB 3.42Å; S325-A329 PolarHBondContact O-N 2.74Å; A326-A329 PolarHBondContact O-N 3.09Å; T327-A329 PolarHBondContact O-N 3.16Å; A329-T333 PolarHBondContact O-N 2.84Å; A329-T333 VanDerWaalsContact O-N 3.13Å; A329-T333 PolarHBondContact O-OG1 3.02Å |
| 330 | A | 94.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F309 A326 T327 T333 N334 G335 V337 | F309-A330 HydrophobicContact CD2-CB 3.82Å; F309-A330 HydrophobicContact CE2-CB 4.22Å; A326-A330 VanDerWaalsContact O-CB 3.31Å; A326-A330 WeakPolarHBondContact O-CB 3.48Å; A326-A330 PolarHBondContact O-N 2.75Å; T327-A330 WeakPolarHBondContact O-CB 3.44Å; T327-A330 PolarHBondContact O-N 2.92Å; A330-T333 PolarHBondContact O-N 3.49Å; A330-N334 CarbonylContact O-C 3.54Å; A330-N334 VanDerWaalsContact O-CA 3.25Å; A330-N334 WeakPolarHBondContact O-CA 3.48Å; A330-N334 PolarHBondContact O-N 3.36Å; A330-G335 PolarHBondContact O-N 3.22Å; A330-V337 HydrophobicContact CB-CG2 3.56Å |
| 331 | E | 91.5 | Very high | 91.4 | Very high | 118 Ų | 118 | 40.8 Ų | 40.8 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -56.7 | -51.6 | 172.5 | -74.5 | 172.7 | -162 | 0 | 0 | 111.9 | T327 K328 T333 | T327-E331 WeakPolarHBondContact O-CG 3.41Å; T327-E331 PolarHBondContact O-N 3.27Å; K328-E331 WeakPolarHBondContact CD-OE2 3.32Å; K328-E331 WeakPolarHBondContact CE-OE2 3.46Å; K328-E331 IonicContact NZ-OE2 3.14Å; K328-E331 PolarHBondContact NZ-OE2 3.18Å; E331-T333 VanDerWaalsContact C-N 3.27Å; E331-T333 PolarHBondContact O-N 2.99Å |
| 332 | V | 90.1 | Very high | 91.5 | Very high | 75 Ų | 75 | 36.7 Ų | 36.7 | 46% | 0.455 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.4 | -23.5 | -175.4 | 171.2 | 0 | 0 | 0 | 0 | 112.9 | E296 K328 | E296-V332 HydrophobicContact CG-CG1 4.09Å; K328-V332 VanDerWaalsContact O-CG2 3.31Å; K328-V332 WeakPolarHBondContact O-CG2 3.42Å; K328-V332 PolarHBondContact O-N 2.62Å; K328-V332 VanDerWaalsContact O-N 3.12Å |
| 333 | T | 92.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -118.4 | 4.9 | -175.9 | 62.2 | 0 | 0 | 0 | 0 | 115.2 | A295 R299 F307 F309 A329 A330 E331 | A295-T333 HydrophobicContact CB-CG2 3.71Å; R299-T333 HydrophobicContact CB-CG2 4.01Å; R299-T333 PolarHBondContact NE-O 3.34Å; R299-T333 PolarHBondContact NH2-O 3.2Å; F307-T333 HydrophobicContact CD2-CG2 4.21Å; F307-T333 HydrophobicContact CE2-CG2 4.31Å; F309-T333 WeakPolarHBondContact CE2-OG1 3.41Å; F309-T333 WeakPolarHBondContact CZ-OG1 3.4Å; A329-T333 PolarHBondContact O-N 2.84Å; A329-T333 VanDerWaalsContact O-N 3.13Å; A329-T333 PolarHBondContact O-OG1 3.02Å; A330-T333 PolarHBondContact O-N 3.49Å; E331-T333 VanDerWaalsContact C-N 3.27Å; E331-T333 PolarHBondContact O-N 2.99Å |
| 334 | N | 90 | Very high | 91.2 | Very high | 152 Ų | 152 | 43.4 Ų | 43.4 | 81% | 0.813 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 53 | -170.9 | -163.1 | 103.5 | 0 | 0 | 0 | 111.9 | A330 | A330-N334 CarbonylContact O-C 3.54Å; A330-N334 VanDerWaalsContact O-CA 3.25Å; A330-N334 WeakPolarHBondContact O-CA 3.48Å; A330-N334 PolarHBondContact O-N 3.36Å |
| 335 | G | 92 | Very high | 91.1 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | trans | -103 | -177.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F307 A330 | F307-G335 CarbonylContact O-C 3.48Å; F307-G335 VanDerWaalsContact O-CA 3.24Å; F307-G335 WeakPolarHBondContact O-CA 3.39Å; A330-G335 PolarHBondContact O-N 3.22Å | ||
| 336 | E | 93.3 | Very high | 91.1 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 157.5 | 175.7 | -67 | -69.2 | 174.6 | 0 | 0 | 110.9 | F307 V308 F309 I377 | F307-E336 PolarHBondContact O-N 2.82Å; V308-E336 WeakPolarHBondContact CA-O 3.29Å; F309-E336 PolarHBondContact N-O 2.85Å; E336-I377 HydrophobicContact CB-CD1 4.02Å; E336-I377 HydrophobicContact CG-CD1 4.46Å; E336-I377 HydrophobicContact CG-CG2 4.45Å |
| 337 | V | 95.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.8 | -176.6 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | F309 A326 A330 I339 L398 I399 | F309-V337 WeakPolarHBondContact O-CA 3.48Å; A326-V337 HydrophobicContact CB-CG1 4.07Å; A330-V337 HydrophobicContact CB-CG2 3.56Å; V337-I339 HydrophobicContact CG1-CG1 4.24Å; V337-L398 HydrophobicContact CB-CD2 3.89Å; V337-L398 HydrophobicContact CG1-CD2 3.82Å; V337-I399 WeakPolarHBondContact O-CD1 3.47Å; V337-I399 PolarHBondContact O-N 2.76Å |
| 338 | I | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.7 | 176.7 | -55.7 | -172.2 | 0 | 0 | 0 | 109.7 | V308 F309 C310 A311 F354 M370 Q373 L374 I377 | V308-I338 HydrophobicContact CG1-CD1 3.44Å; V308-I338 VanDerWaalsContact CG1-CD1 3.44Å; V308-I338 HydrophobicContact CG1-CG1 3.67Å; F309-I338 PolarHBondContact O-N 3.19Å; C310-I338 WeakPolarHBondContact CA-O 3.07Å; A311-I338 PolarHBondContact N-O 3.17Å; I338-F354 HydrophobicContact CB-CZ 4.34Å; I338-F354 HydrophobicContact CG2-CE1 4.07Å; I338-F354 HydrophobicContact CG2-CZ 3.87Å; I338-M370 HydrophobicContact CD1-CE 4.48Å; I338-M370 HydrophobicContact CG2-CE 4.31Å; I338-Q373 HydrophobicContact CD1-CB 4.35Å; I338-Q373 VanDerWaalsContact CG2-OE1 3.31Å; I338-L374 HydrophobicContact CD1-CD2 3.87Å; I338-L374 HydrophobicContact CD1-CG 4.41Å; I338-I377 HydrophobicContact CD1-CD1 4.12Å |
| 339 | I | 93.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.2 | -177.1 | -55.8 | 180 | 0 | 0 | 0 | 110.2 | A311 N313 V323 V337 A341 L398 I399 F400 T401 | A311-I339 HydrophobicContact CB-CG1 4.5Å; N313-I339 HydrophobicContact CB-CG2 3.88Å; V323-I339 HydrophobicContact CB-CD1 4.39Å; V323-I339 HydrophobicContact CG1-CD1 3.79Å; V323-I339 HydrophobicContact CG2-CD1 3.64Å; V323-I339 HydrophobicContact CG2-CG1 4.07Å; V323-I339 HydrophobicContact CG2-CG2 4.35Å; V337-I339 HydrophobicContact CG1-CG1 4.24Å; I339-A341 PolarHBondContact O-N 3.04Å; I339-L398 HydrophobicContact CD1-CB 4Å; I339-L398 HydrophobicContact CD1-CD1 3.79Å; I339-L398 HydrophobicContact CD1-CD2 4.05Å; I339-L398 HydrophobicContact CD1-CG 4.16Å; I339-I399 PolarHBondContact N-O 3.35Å; I339-F400 HydrophobicContact CB-CD1 4.38Å; I339-F400 HydrophobicContact CB-CE1 4.27Å; I339-F400 HydrophobicContact CD1-CE1 4.44Å; I339-F400 HydrophobicContact CD1-CZ 4.2Å; I339-F400 HydrophobicContact CG2-CD1 4.42Å; I339-F400 HydrophobicContact CG2-CE1 4.1Å; I339-T401 PolarHBondContact O-N 3.23Å |
| 340 | P | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -72.2 | 124.4 | 173.5 | 30.3 | -32 | 0 | 0 | 0 | 109.7 | A311 N313 F342 F354 L357 | A311-P340 WeakPolarHBondContact O-CD 3.44Å; N313-P340 HydrophobicContact CB-CG 3.79Å; N313-P340 PolarHBondContact ND2-O 3.2Å; P340-F342 HydrophobicContact CB-CE2 3.88Å; P340-F342 HydrophobicContact CB-CZ 3.92Å; P340-F342 HydrophobicContact CG-CE2 3.82Å; P340-F342 HydrophobicContact CG-CZ 4.14Å; P340-F354 HydrophobicContact CB-CD1 4.06Å; P340-F354 HydrophobicContact CB-CD2 4.42Å; P340-F354 HydrophobicContact CB-CE1 4.16Å; P340-F354 HydrophobicContact CB-CG 4.2Å; P340-F354 HydrophobicContact CB-CZ 4.4Å; P340-F354 VanDerWaalsContact CD-CE2 3.5Å; P340-F354 HydrophobicContact CG-CD2 4.13Å; P340-F354 HydrophobicContact CG-CE2 4.14Å; P340-F354 HydrophobicContact CG-CG 4.39Å; P340-F354 HydrophobicContact CG-CZ 4.4Å; P340-L357 HydrophobicContact CB-CD2 4.04Å | ||
| 341 | A | 87.8 | Confident | 89.9 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | trans | -101.6 | 102.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I339 R361 F400 T401 V403 | I339-A341 PolarHBondContact O-N 3.04Å; A341-R361 PolarHBondContact O-NH1 2.8Å; A341-R361 PolarHBondContact O-NH2 3.02Å; A341-F400 HydrophobicContact CB-CB 3.89Å; A341-F400 HydrophobicContact CB-CD1 3.96Å; A341-F400 HydrophobicContact CB-CG 4.43Å; A341-T401 VanDerWaalsContact CB-O 3.32Å; A341-T401 WeakPolarHBondContact CB-O 3.28Å; A341-T401 WeakPolarHBondContact CB-OG1 3.35Å; A341-T401 PolarHBondContact N-OG1 2.9Å; A341-V403 HydrophobicContact CB-CG2 4.23Å; A341-V403 WeakPolarHBondContact O-CG2 3.31Å | ||
| 342 | F | 87.3 | Confident | 89.9 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | trans | -83.7 | 142.4 | 176.2 | -61.3 | -72 | 0 | 0 | 0 | 111.3 | N313 P340 E346 K347 L351 T352 D353 L357 | N313-F342 HydrophobicContact CB-CE2 4.25Å; P340-F342 HydrophobicContact CB-CE2 3.88Å; P340-F342 HydrophobicContact CB-CZ 3.92Å; P340-F342 HydrophobicContact CG-CE2 3.82Å; P340-F342 HydrophobicContact CG-CZ 4.14Å; F342-E346 HydrophobicContact CB-CB 3.82Å; F342-E346 HydrophobicContact CD1-CB 3.82Å; F342-E346 HydrophobicContact CG-CB 4.25Å; F342-K347 HydrophobicContact CB-CG 3.74Å; F342-K347 VanDerWaalsContact O-CE 3.27Å; F342-K347 WeakPolarHBondContact O-CE 3.46Å; F342-L351 HydrophobicContact CD1-CB 3.9Å; F342-L351 HydrophobicContact CE1-CB 3.6Å; F342-L351 HydrophobicContact CE1-CD1 4.44Å; F342-L351 HydrophobicContact CZ-CB 4.08Å; F342-T352 WeakPolarHBondContact CE2-O 3.3Å; F342-D353 WeakPolarHBondContact CZ-O 2.93Å; F342-L357 HydrophobicContact CD1-CD1 3.67Å; F342-L357 HydrophobicContact CE1-CB 4.06Å; F342-L357 HydrophobicContact CE1-CD1 3.6Å; F342-L357 HydrophobicContact CE1-CG 4.45Å; F342-L357 HydrophobicContact CZ-CD1 4.44Å | ||
| 343 | T | 87.6 | Confident | 90 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | trans | -61.1 | 160.5 | 161.1 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | A345 E346 K347 V403 | T343-A345 PolarHBondContact O-N 2.82Å; T343-A345 VanDerWaalsContact O-N 3.17Å; T343-E346 WeakPolarHBondContact CB-OE2 3.4Å; T343-E346 WeakPolarHBondContact CG2-OE2 3.45Å; T343-E346 PolarHBondContact N-OE2 3.1Å; T343-E346 PolarHBondContact O-N 2.99Å; T343-E346 VanDerWaalsContact O-N 3.1Å; T343-E346 WeakPolarHBondContact OG1-CB 3.26Å; T343-E346 VanDerWaalsContact OG1-CG 3.32Å; T343-E346 WeakPolarHBondContact OG1-CG 3.42Å; T343-E346 PolarHBondContact OG1-N 3.13Å; T343-E346 VanDerWaalsContact OG1-N 3.09Å; T343-E346 PolarHBondContact OG1-OE2 2.83Å; T343-K347 WeakPolarHBondContact O-CG 3.46Å; T343-K347 PolarHBondContact O-N 2.8Å; T343-V403 HydrophobicContact CG2-CG1 3.48Å; T343-V403 VanDerWaalsContact CG2-CG1 3.48Å | ||
| 344 | E | 84.9 | Confident | 90.1 | Very high | 123 Ų | 123 | 43.8 Ų | 43.8 | 58% | 0.575 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.7 | -28.6 | 172.7 | -55.5 | -48.7 | 114.3 | 0 | 0 | 112.4 | K347 A348 | E344-K347 IonicContact OE1-NZ 3.68Å; E344-K347 PolarHBondContact OE1-NZ 3.22Å; E344-K347 IonicContact OE2-NZ 3.16Å; E344-A348 VanDerWaalsContact O-CB 3.28Å; E344-A348 WeakPolarHBondContact O-CB 3.38Å; E344-A348 PolarHBondContact O-N 3.33Å |
| 345 | A | 86.8 | Confident | 90.3 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 51% | 0.512 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.9 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T343 Q349 | T343-A345 PolarHBondContact O-N 2.82Å; T343-A345 VanDerWaalsContact O-N 3.17Å; A345-Q349 WeakPolarHBondContact O-CG 3.49Å; A345-Q349 PolarHBondContact O-N 2.88Å; A345-Q349 PolarHBondContact O-NE2 3.28Å |
| 346 | E | 89.9 | Confident | 90.4 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.5 | -36.9 | 173.6 | -72.3 | 159.7 | 132.1 | 0 | 0 | 111.4 | F342 T343 A348 Q349 G350 L351 S360 R361 | F342-E346 HydrophobicContact CB-CB 3.82Å; F342-E346 HydrophobicContact CD1-CB 3.82Å; F342-E346 HydrophobicContact CG-CB 4.25Å; T343-E346 WeakPolarHBondContact CB-OE2 3.4Å; T343-E346 WeakPolarHBondContact CG2-OE2 3.45Å; T343-E346 PolarHBondContact N-OE2 3.1Å; T343-E346 PolarHBondContact O-N 2.99Å; T343-E346 VanDerWaalsContact O-N 3.1Å; T343-E346 WeakPolarHBondContact OG1-CB 3.26Å; T343-E346 VanDerWaalsContact OG1-CG 3.32Å; T343-E346 WeakPolarHBondContact OG1-CG 3.42Å; T343-E346 PolarHBondContact OG1-N 3.13Å; T343-E346 VanDerWaalsContact OG1-N 3.09Å; T343-E346 PolarHBondContact OG1-OE2 2.83Å; E346-A348 PolarHBondContact O-N 3.17Å; E346-Q349 WeakPolarHBondContact O-CB 3.14Å; E346-Q349 PolarHBondContact O-N 3.42Å; E346-G350 PolarHBondContact O-N 2.69Å; E346-L351 HydrophobicContact CB-CD1 4.01Å; E346-L351 HydrophobicContact CG-CD1 4.08Å; E346-L351 WeakPolarHBondContact O-CG 3.38Å; E346-L351 PolarHBondContact O-N 3.23Å; E346-S360 PolarHBondContact OE1-OG 2.83Å; E346-R361 IonicContact OE1-CZ 3.51Å; E346-R361 IonicContact OE1-NE 2.75Å; E346-R361 PolarHBondContact OE1-NE 3.43Å; E346-R361 IonicContact OE1-NH2 2.62Å; E346-R361 PolarHBondContact OE1-NH2 3.22Å; E346-R361 IonicContact OE2-CZ 2.66Å; E346-R361 IonicContact OE2-NE 2.74Å; E346-R361 IonicContact OE2-NH2 3.98Å; E346-R361 PolarHBondContact OE2-NH2 3.26Å |
| 347 | K | 87.6 | Confident | 90.3 | Very high | 60 Ų | 60 | 34 Ų | 34 | 26% | 0.261 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 172.4 | -68.4 | 176.1 | -172 | 162.6 | 0 | 112 | H315 F342 T343 E344 Q349 G350 | H315-K347 PolarHBondContact CE1-O 2.93Å; F342-K347 HydrophobicContact CB-CG 3.74Å; F342-K347 VanDerWaalsContact O-CE 3.27Å; F342-K347 WeakPolarHBondContact O-CE 3.46Å; T343-K347 WeakPolarHBondContact O-CG 3.46Å; T343-K347 PolarHBondContact O-N 2.8Å; E344-K347 IonicContact OE1-NZ 3.68Å; E344-K347 PolarHBondContact OE1-NZ 3.22Å; E344-K347 IonicContact OE2-NZ 3.16Å; K347-Q349 PolarHBondContact O-N 2.76Å; K347-G350 WeakPolarHBondContact O-CA 3.13Å; K347-G350 PolarHBondContact O-N 2.99Å |
| 348 | A | 86.5 | Confident | 90.2 | Very high | 90 Ų | 90 | 34 Ų | 34 | 74% | 0.744 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -65.7 | -23.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E344 E346 G350 | E344-A348 VanDerWaalsContact O-CB 3.28Å; E344-A348 WeakPolarHBondContact O-CB 3.38Å; E344-A348 PolarHBondContact O-N 3.33Å; E346-A348 PolarHBondContact O-N 3.17Å; A348-G350 VanDerWaalsContact C-N 3.27Å |
| 349 | Q | 88.1 | Confident | 90.2 | Very high | 137 Ų | 137 | 37.6 Ų | 37.6 | 64% | 0.64 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.7 | 170.3 | -68.9 | 169.3 | 35.4 | 0 | 0 | 113.1 | A345 E346 K347 L351 | A345-Q349 WeakPolarHBondContact O-CG 3.49Å; A345-Q349 PolarHBondContact O-N 2.88Å; A345-Q349 PolarHBondContact O-NE2 3.28Å; E346-Q349 WeakPolarHBondContact O-CB 3.14Å; E346-Q349 PolarHBondContact O-N 3.42Å; K347-Q349 PolarHBondContact O-N 2.76Å; Q349-L351 HydrophobicContact CB-CD2 4.28Å; Q349-L351 HydrophobicContact CB-CG 4.13Å |
| 350 | G | 87.4 | Confident | 90.1 | Very high | 32 Ų | 32 | 40 Ų | 40 | 33% | 0.33 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 20.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | E346 K347 A348 | E346-G350 PolarHBondContact O-N 2.69Å; K347-G350 WeakPolarHBondContact O-CA 3.13Å; K347-G350 PolarHBondContact O-N 2.99Å; A348-G350 VanDerWaalsContact C-N 3.27Å |
| 351 | L | 91.3 | Very high | 90 | Very high | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | trans | -70.2 | 136.4 | 177.1 | -52.2 | -168.5 | 0 | 0 | 0 | 110.4 | H315 F342 E346 Q349 D356 | H315-L351 PolarHBondContact NE2-O 2.8Å; F342-L351 HydrophobicContact CD1-CB 3.9Å; F342-L351 HydrophobicContact CE1-CB 3.6Å; F342-L351 HydrophobicContact CE1-CD1 4.44Å; F342-L351 HydrophobicContact CZ-CB 4.08Å; E346-L351 HydrophobicContact CB-CD1 4.01Å; E346-L351 HydrophobicContact CG-CD1 4.08Å; E346-L351 WeakPolarHBondContact O-CG 3.38Å; E346-L351 PolarHBondContact O-N 3.23Å; Q349-L351 HydrophobicContact CB-CD2 4.28Å; Q349-L351 HydrophobicContact CB-CG 4.13Å; L351-D356 HydrophobicContact CB-CB 3.86Å; L351-D356 HydrophobicContact CD1-CB 4.29Å; L351-D356 HydrophobicContact CD2-CB 4.08Å; L351-D356 HydrophobicContact CG-CB 4.27Å | ||
| 352 | T | 91.3 | Very high | 90 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -137 | -27.3 | -178.5 | 61.2 | 0 | 0 | 0 | 0 | 115 | N313 F342 D356 | N313-T352 PolarHBondContact N-O 3.48Å; N313-T352 WeakPolarHBondContact O-CB 3.47Å; N313-T352 WeakPolarHBondContact O-CG2 3.24Å; F342-T352 WeakPolarHBondContact CE2-O 3.3Å; T352-D356 PolarHBondContact N-OD2 3.43Å | ||
| 353 | D | 92.6 | Very high | 90.1 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -98.8 | 158.9 | -174.8 | 81.9 | 39 | 0 | 0 | 0 | 113.3 | K197 D312 F342 N355 D356 L357 | K197-D353 IonicContact NZ-OD1 2.78Å; K197-D353 PolarHBondContact NZ-OD1 3.31Å; K197-D353 IonicContact NZ-OD2 3.67Å; K197-D353 PolarHBondContact NZ-OD2 2.97Å; D312-D353 WeakPolarHBondContact OD1-CB 3.43Å; F342-D353 WeakPolarHBondContact CZ-O 2.93Å; D353-N355 PolarHBondContact O-N 2.81Å; D353-N355 WeakPolarHBondContact OD1-CA 3.4Å; D353-N355 WeakPolarHBondContact OD1-CB 3.42Å; D353-N355 PolarHBondContact OD1-N 2.83Å; D353-D356 PolarHBondContact N-OD2 3.34Å; D353-D356 WeakPolarHBondContact O-CB 3.49Å; D353-D356 PolarHBondContact O-N 3.31Å; D353-D356 PolarHBondContact OD1-N 2.96Å; D353-L357 PolarHBondContact O-N 2.93Å |
| 354 | F | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -21.5 | 177.7 | -75.8 | -94.2 | 0 | 0 | 0 | 113.8 | T270 L274 C310 A311 I338 P340 L357 D358 F366 M370 T401 | T270-F354 HydrophobicContact CG2-CB 3.79Å; T270-F354 HydrophobicContact CG2-CD2 3.9Å; T270-F354 HydrophobicContact CG2-CG 4.34Å; L274-F354 HydrophobicContact CD2-CB 4.43Å; L274-F354 HydrophobicContact CD2-CD1 4.08Å; L274-F354 HydrophobicContact CD2-CE1 4.5Å; L274-F354 HydrophobicContact CD2-CG 4.2Å; L274-F354 HydrophobicContact CG-CB 4.46Å; C310-F354 HydrophobicContact CB-CD2 4.14Å; C310-F354 HydrophobicContact CB-CE2 3.56Å; C310-F354 HydrophobicContact CB-CZ 3.97Å; A311-F354 WeakPolarHBondContact O-CE2 3.46Å; I338-F354 HydrophobicContact CB-CZ 4.34Å; I338-F354 HydrophobicContact CG2-CE1 4.07Å; I338-F354 HydrophobicContact CG2-CZ 3.87Å; P340-F354 HydrophobicContact CB-CD1 4.06Å; P340-F354 HydrophobicContact CB-CD2 4.42Å; P340-F354 HydrophobicContact CB-CE1 4.16Å; P340-F354 HydrophobicContact CB-CG 4.2Å; P340-F354 HydrophobicContact CB-CZ 4.4Å; P340-F354 VanDerWaalsContact CD-CE2 3.5Å; P340-F354 HydrophobicContact CG-CD2 4.13Å; P340-F354 HydrophobicContact CG-CE2 4.14Å; P340-F354 HydrophobicContact CG-CG 4.39Å; P340-F354 HydrophobicContact CG-CZ 4.4Å; F354-L357 WeakPolarHBondContact O-CB 3.24Å; F354-L357 PolarHBondContact O-N 3.09Å; F354-D358 PolarHBondContact O-N 2.89Å; F354-F366 HydrophobicContact CB-CE2 4.03Å; F354-F366 HydrophobicContact CB-CZ 4.06Å; F354-F366 HydrophobicContact CD1-CE2 4.02Å; F354-F366 HydrophobicContact CD1-CZ 4.33Å; F354-F366 WeakPolarHBondContact O-CE2 3.39Å; F354-M370 HydrophobicContact CD1-SD 3.7Å; F354-M370 HydrophobicContact CE1-CE 4.13Å; F354-M370 HydrophobicContact CE1-SD 3.58Å; F354-M370 VanDerWaalsContact CE1-SD 3.58Å; F354-T401 HydrophobicContact CE1-CG2 3.98Å |
| 355 | N | 94.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.4 | -32.4 | 175.9 | 169.5 | -87.4 | 0 | 0 | 0 | 111.9 | K197 A269 S273 D353 L357 D358 A359 | K197-N355 WeakPolarHBondContact CD-OD1 3.41Å; K197-N355 WeakPolarHBondContact CE-OD1 3.39Å; K197-N355 PolarHBondContact NZ-OD1 3.37Å; K197-N355 PolarHBondContact O-ND2 3.2Å; A269-N355 HydrophobicContact CB-CB 4.16Å; S273-N355 VanDerWaalsContact OG-CB 3.3Å; S273-N355 WeakPolarHBondContact OG-CB 3.44Å; S273-N355 PolarHBondContact OG-ND2 3.49Å; D353-N355 PolarHBondContact O-N 2.81Å; D353-N355 WeakPolarHBondContact OD1-CA 3.4Å; D353-N355 WeakPolarHBondContact OD1-CB 3.42Å; D353-N355 PolarHBondContact OD1-N 2.83Å; N355-L357 PolarHBondContact O-N 2.93Å; N355-D358 WeakPolarHBondContact O-CB 3.48Å; N355-D358 PolarHBondContact O-N 2.92Å; N355-A359 WeakPolarHBondContact O-CB 3.2Å; N355-A359 PolarHBondContact O-N 3.28Å |
| 356 | D | 93.2 | Very high | 90.3 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -35 | 168.4 | -63.8 | -25.7 | 0 | 0 | 0 | 110.2 | K197 L351 T352 D353 A359 S360 | K197-D356 IonicContact NZ-OD1 2.98Å; K197-D356 PolarHBondContact NZ-OD1 3.41Å; L351-D356 HydrophobicContact CB-CB 3.86Å; L351-D356 HydrophobicContact CD1-CB 4.29Å; L351-D356 HydrophobicContact CD2-CB 4.08Å; L351-D356 HydrophobicContact CG-CB 4.27Å; T352-D356 PolarHBondContact N-OD2 3.43Å; D353-D356 PolarHBondContact N-OD2 3.34Å; D353-D356 WeakPolarHBondContact O-CB 3.49Å; D353-D356 PolarHBondContact O-N 3.31Å; D353-D356 PolarHBondContact OD1-N 2.96Å; D356-A359 PolarHBondContact O-N 2.98Å; D356-S360 VanDerWaalsContact O-CB 3.3Å; D356-S360 WeakPolarHBondContact O-CB 3.49Å; D356-S360 PolarHBondContact O-N 2.82Å; D356-S360 PolarHBondContact O-OG 2.68Å; D356-S360 VanDerWaalsContact O-OG 3.12Å |
| 357 | L | 91.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 172.8 | -159.6 | 75.2 | 0 | 0 | 0 | 113 | P340 F342 D353 F354 N355 S360 R361 F366 T401 | P340-L357 HydrophobicContact CB-CD2 4.04Å; F342-L357 HydrophobicContact CD1-CD1 3.67Å; F342-L357 HydrophobicContact CE1-CB 4.06Å; F342-L357 HydrophobicContact CE1-CD1 3.6Å; F342-L357 HydrophobicContact CE1-CG 4.45Å; F342-L357 HydrophobicContact CZ-CD1 4.44Å; D353-L357 PolarHBondContact O-N 2.93Å; F354-L357 WeakPolarHBondContact O-CB 3.24Å; F354-L357 PolarHBondContact O-N 3.09Å; N355-L357 PolarHBondContact O-N 2.93Å; L357-S360 PolarHBondContact O-OG 2.74Å; L357-R361 VanDerWaalsContact CD1-CZ 3.46Å; L357-R361 WeakPolarHBondContact O-CB 3.28Å; L357-R361 PolarHBondContact O-N 2.93Å; L357-R361 VanDerWaalsContact O-N 3.11Å; L357-F366 HydrophobicContact CB-CD2 4.18Å; L357-F366 HydrophobicContact CB-CE2 4.27Å; L357-F366 HydrophobicContact CD2-CD2 4.06Å; L357-F366 HydrophobicContact CD2-CE2 4.15Å; L357-F366 HydrophobicContact CG-CD2 4.24Å; L357-T401 HydrophobicContact CD2-CG2 3.79Å |
| 358 | D | 93.5 | Very high | 90.2 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 171.7 | -176.5 | 33 | 0 | 0 | 0 | 111.3 | F354 N355 G362 R363 F366 | F354-D358 PolarHBondContact O-N 2.89Å; N355-D358 WeakPolarHBondContact O-CB 3.48Å; N355-D358 PolarHBondContact O-N 2.92Å; D358-G362 CarbonylContact O-C 3.53Å; D358-G362 WeakPolarHBondContact O-CA 3.44Å; D358-G362 PolarHBondContact O-N 3.29Å; D358-R363 VanDerWaalsContact CG-NE 3.3Å; D358-R363 WeakPolarHBondContact OD1-CA 3.26Å; D358-R363 WeakPolarHBondContact OD1-CD 3.3Å; D358-R363 IonicContact OD1-CZ 2.9Å; D358-R363 PolarHBondContact OD1-N 3.38Å; D358-R363 IonicContact OD1-NE 3.69Å; D358-R363 PolarHBondContact OD1-NE 3.3Å; D358-R363 IonicContact OD1-NH2 3.68Å; D358-R363 IonicContact OD2-CZ 2.85Å; D358-R363 VanDerWaalsContact OD2-CZ 3.25Å; D358-R363 IonicContact OD2-NE 3.96Å; D358-R363 PolarHBondContact OD2-NE 2.83Å; D358-R363 IonicContact OD2-NH2 2.68Å; D358-R363 PolarHBondContact OD2-NH2 2.85Å; D358-F366 HydrophobicContact CB-CB 4.32Å; D358-F366 HydrophobicContact CB-CD1 3.9Å; D358-F366 HydrophobicContact CB-CD2 4.06Å; D358-F366 HydrophobicContact CB-CE1 4.23Å; D358-F366 HydrophobicContact CB-CE2 4.38Å; D358-F366 HydrophobicContact CB-CG 3.82Å; D358-F366 HydrophobicContact CB-CZ 4.47Å |
| 359 | A | 92.5 | Very high | 90.1 | Very high | 76 Ų | 76 | 40.7 Ų | 40.7 | 63% | 0.628 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -71.4 | -37.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N355 D356 | N355-A359 WeakPolarHBondContact O-CB 3.2Å; N355-A359 PolarHBondContact O-N 3.28Å; D356-A359 PolarHBondContact O-N 2.98Å |
| 360 | S | 91.4 | Very high | 90.2 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 37% | 0.371 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -77.4 | -39.8 | -179.7 | 67.7 | 0 | 0 | 0 | 0 | 113 | E346 D356 L357 | E346-S360 PolarHBondContact OE1-OG 2.83Å; D356-S360 VanDerWaalsContact O-CB 3.3Å; D356-S360 WeakPolarHBondContact O-CB 3.49Å; D356-S360 PolarHBondContact O-N 2.82Å; D356-S360 PolarHBondContact O-OG 2.68Å; D356-S360 VanDerWaalsContact O-OG 3.12Å; L357-S360 PolarHBondContact O-OG 2.74Å |
| 361 | R | 88.8 | Confident | 90.1 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -99.5 | -15.6 | -175.5 | -57 | -174.1 | -179.1 | 171 | 4.3 | 113.9 | A341 E346 L357 N365 P402 | A341-R361 PolarHBondContact O-NH1 2.8Å; A341-R361 PolarHBondContact O-NH2 3.02Å; E346-R361 IonicContact OE1-CZ 3.51Å; E346-R361 IonicContact OE1-NE 2.75Å; E346-R361 PolarHBondContact OE1-NE 3.43Å; E346-R361 IonicContact OE1-NH2 2.62Å; E346-R361 PolarHBondContact OE1-NH2 3.22Å; E346-R361 IonicContact OE2-CZ 2.66Å; E346-R361 IonicContact OE2-NE 2.74Å; E346-R361 IonicContact OE2-NH2 3.98Å; E346-R361 PolarHBondContact OE2-NH2 3.26Å; L357-R361 VanDerWaalsContact CD1-CZ 3.46Å; L357-R361 WeakPolarHBondContact O-CB 3.28Å; L357-R361 PolarHBondContact O-N 2.93Å; L357-R361 VanDerWaalsContact O-N 3.11Å; R361-N365 HydrophobicContact CB-CB 4.18Å; R361-N365 WeakPolarHBondContact O-CB 3.44Å; R361-N365 PolarHBondContact O-ND2 3.21Å; R361-P402 PolarHBondContact NH1-O 3.12Å |
| 362 | G | 89.1 | Confident | 89.7 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | trans | 80.5 | 144.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D358 D364 N365 F366 | D358-G362 CarbonylContact O-C 3.53Å; D358-G362 WeakPolarHBondContact O-CA 3.44Å; D358-G362 PolarHBondContact O-N 3.29Å; G362-D364 VanDerWaalsContact C-N 3.29Å; G362-D364 PolarHBondContact O-N 3.25Å; G362-D364 VanDerWaalsContact O-N 3.09Å; G362-N365 PolarHBondContact O-N 2.84Å; G362-F366 PolarHBondContact O-N 3.23Å | ||
| 363 | R | 88.5 | Confident | 89.4 | Confident | 61 Ų | 61 | 31 Ų | 31 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -45.4 | -44.7 | -172.5 | -173.9 | 60.1 | 58 | 82.1 | -1.2 | 114.7 | G198 E276 D358 F366 Q367 | G198-R363 PolarHBondContact O-NH2 3.04Å; E276-R363 IonicContact OE2-CZ 2.76Å; E276-R363 IonicContact OE2-NH1 2.81Å; E276-R363 PolarHBondContact OE2-NH1 3.35Å; E276-R363 IonicContact OE2-NH2 3.21Å; D358-R363 VanDerWaalsContact CG-NE 3.3Å; D358-R363 WeakPolarHBondContact OD1-CA 3.26Å; D358-R363 WeakPolarHBondContact OD1-CD 3.3Å; D358-R363 IonicContact OD1-CZ 2.9Å; D358-R363 PolarHBondContact OD1-N 3.38Å; D358-R363 IonicContact OD1-NE 3.69Å; D358-R363 PolarHBondContact OD1-NE 3.3Å; D358-R363 IonicContact OD1-NH2 3.68Å; D358-R363 IonicContact OD2-CZ 2.85Å; D358-R363 VanDerWaalsContact OD2-CZ 3.25Å; D358-R363 IonicContact OD2-NE 3.96Å; D358-R363 PolarHBondContact OD2-NE 2.83Å; D358-R363 IonicContact OD2-NH2 2.68Å; D358-R363 PolarHBondContact OD2-NH2 2.85Å; R363-F366 PolarHBondContact O-N 2.86Å; R363-Q367 WeakPolarHBondContact O-CB 3.49Å; R363-Q367 PolarHBondContact O-N 3.23Å |
| 364 | D | 86.4 | Confident | 89.2 | Confident | 121 Ų | 121 | 29.8 Ų | 29.8 | 65% | 0.647 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -66.7 | -42.3 | -177.1 | -54.1 | -14 | 0 | 0 | 0 | 112.1 | G362 N368 | G362-D364 VanDerWaalsContact C-N 3.29Å; G362-D364 PolarHBondContact O-N 3.25Å; G362-D364 VanDerWaalsContact O-N 3.09Å; D364-N368 WeakPolarHBondContact O-CB 3.44Å; D364-N368 VanDerWaalsContact O-CG 3.23Å; D364-N368 PolarHBondContact O-N 2.84Å; D364-N368 VanDerWaalsContact O-N 3.12Å; D364-N368 PolarHBondContact O-ND2 3Å; D364-N368 VanDerWaalsContact O-ND2 3.09Å |
| 365 | N | 86.9 | Confident | 88.7 | Confident | 61 Ų | 61 | 34.4 Ų | 34.4 | 33% | 0.326 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.1 | -39.8 | 175.8 | -66.7 | -69.7 | 0 | 0 | 0 | 110.7 | R361 G362 N368 A369 K404 | R361-N365 HydrophobicContact CB-CB 4.18Å; R361-N365 WeakPolarHBondContact O-CB 3.44Å; R361-N365 PolarHBondContact O-ND2 3.21Å; G362-N365 PolarHBondContact O-N 2.84Å; N365-N368 PolarHBondContact O-N 3.35Å; N365-A369 WeakPolarHBondContact O-CB 3.3Å; N365-A369 PolarHBondContact O-N 3.34Å; N365-K404 PolarHBondContact OD1-NZ 2.81Å |
| 366 | F | 90.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 178.3 | 175.1 | -101.5 | 0 | 0 | 0 | 112.2 | L274 A277 F354 L357 D358 G362 R363 N368 A369 M370 | L274-F366 HydrophobicContact CD2-CZ 4.17Å; A277-F366 HydrophobicContact CB-CD1 3.66Å; A277-F366 HydrophobicContact CB-CE1 3.59Å; F354-F366 HydrophobicContact CB-CE2 4.03Å; F354-F366 HydrophobicContact CB-CZ 4.06Å; F354-F366 HydrophobicContact CD1-CE2 4.02Å; F354-F366 HydrophobicContact CD1-CZ 4.33Å; F354-F366 WeakPolarHBondContact O-CE2 3.39Å; L357-F366 HydrophobicContact CB-CD2 4.18Å; L357-F366 HydrophobicContact CB-CE2 4.27Å; L357-F366 HydrophobicContact CD2-CD2 4.06Å; L357-F366 HydrophobicContact CD2-CE2 4.15Å; L357-F366 HydrophobicContact CG-CD2 4.24Å; D358-F366 HydrophobicContact CB-CB 4.32Å; D358-F366 HydrophobicContact CB-CD1 3.9Å; D358-F366 HydrophobicContact CB-CD2 4.06Å; D358-F366 HydrophobicContact CB-CE1 4.23Å; D358-F366 HydrophobicContact CB-CE2 4.38Å; D358-F366 HydrophobicContact CB-CG 3.82Å; D358-F366 HydrophobicContact CB-CZ 4.47Å; G362-F366 PolarHBondContact O-N 3.23Å; R363-F366 PolarHBondContact O-N 2.86Å; F366-N368 VanDerWaalsContact C-N 3.34Å; F366-N368 PolarHBondContact O-N 2.88Å; F366-A369 PolarHBondContact O-N 2.96Å; F366-M370 HydrophobicContact CD1-CG 4.46Å; F366-M370 HydrophobicContact CD2-CG 4.44Å; F366-M370 HydrophobicContact CE1-CG 4.02Å; F366-M370 HydrophobicContact CE2-CG 4.01Å; F366-M370 HydrophobicContact CE2-SD 4.24Å; F366-M370 HydrophobicContact CZ-CG 3.77Å; F366-M370 HydrophobicContact CZ-SD 4.24Å; F366-M370 WeakPolarHBondContact O-CG 3.5Å; F366-M370 PolarHBondContact O-N 3.38Å |
| 367 | Q | 89.5 | Confident | 87.7 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 174.4 | 173.5 | 173 | -22 | 0 | 0 | 111.6 | A277 R363 M370 N371 N383 | A277-Q367 HydrophobicContact CB-CB 4.07Å; A277-Q367 WeakPolarHBondContact O-CG 3.42Å; R363-Q367 WeakPolarHBondContact O-CB 3.49Å; R363-Q367 PolarHBondContact O-N 3.23Å; Q367-M370 PolarHBondContact O-N 3.45Å; Q367-N371 WeakPolarHBondContact O-CB 3.32Å; Q367-N371 PolarHBondContact O-N 3.36Å; Q367-N371 PolarHBondContact O-ND2 2.99Å; Q367-N383 PolarHBondContact NE2-O 3.33Å |
| 368 | N | 85.3 | Confident | 87.3 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.1 | -73.9 | -26.9 | 0 | 0 | 0 | 112.6 | D364 N365 F366 A372 | D364-N368 WeakPolarHBondContact O-CB 3.44Å; D364-N368 VanDerWaalsContact O-CG 3.23Å; D364-N368 PolarHBondContact O-N 2.84Å; D364-N368 VanDerWaalsContact O-N 3.12Å; D364-N368 PolarHBondContact O-ND2 3Å; D364-N368 VanDerWaalsContact O-ND2 3.09Å; N365-N368 PolarHBondContact O-N 3.35Å; F366-N368 VanDerWaalsContact C-N 3.34Å; F366-N368 PolarHBondContact O-N 2.88Å; N368-A372 WeakPolarHBondContact O-CB 3.42Å; N368-A372 PolarHBondContact O-N 3.43Å |
| 369 | A | 85.2 | Confident | 86.9 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N365 F366 A372 Q373 P402 | N365-A369 WeakPolarHBondContact O-CB 3.3Å; N365-A369 PolarHBondContact O-N 3.34Å; F366-A369 PolarHBondContact O-N 2.96Å; A369-A372 PolarHBondContact O-N 3.02Å; A369-Q373 WeakPolarHBondContact O-CG 3.25Å; A369-Q373 PolarHBondContact O-N 2.69Å; A369-P402 HydrophobicContact CB-CG 3.95Å |
| 370 | M | 89.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 177 | -68.9 | -54.7 | -49 | 0 | 0 | 112 | L274 T278 I338 F354 F366 Q367 A372 Q373 L374 T401 | L274-M370 HydrophobicContact CD2-CE 3.56Å; L274-M370 HydrophobicContact CD2-CG 4.4Å; L274-M370 HydrophobicContact CD2-SD 3.94Å; T278-M370 HydrophobicContact CG2-CB 4.05Å; I338-M370 HydrophobicContact CD1-CE 4.48Å; I338-M370 HydrophobicContact CG2-CE 4.31Å; F354-M370 HydrophobicContact CD1-SD 3.7Å; F354-M370 HydrophobicContact CE1-CE 4.13Å; F354-M370 HydrophobicContact CE1-SD 3.58Å; F354-M370 VanDerWaalsContact CE1-SD 3.58Å; F366-M370 HydrophobicContact CD1-CG 4.46Å; F366-M370 HydrophobicContact CD2-CG 4.44Å; F366-M370 HydrophobicContact CE1-CG 4.02Å; F366-M370 HydrophobicContact CE2-CG 4.01Å; F366-M370 HydrophobicContact CE2-SD 4.24Å; F366-M370 HydrophobicContact CZ-CG 3.77Å; F366-M370 HydrophobicContact CZ-SD 4.24Å; F366-M370 WeakPolarHBondContact O-CG 3.5Å; F366-M370 PolarHBondContact O-N 3.38Å; Q367-M370 PolarHBondContact O-N 3.45Å; M370-A372 VanDerWaalsContact C-N 3.29Å; M370-A372 PolarHBondContact O-N 3.33Å; M370-Q373 PolarHBondContact O-N 2.76Å; M370-L374 WeakPolarHBondContact O-CB 3.33Å; M370-L374 WeakPolarHBondContact O-CG 3.45Å; M370-L374 PolarHBondContact O-N 3.34Å; M370-T401 HydrophobicContact SD-CG2 4.23Å |
| 371 | N | 86.5 | Confident | 85.1 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 176.9 | -77.3 | -18.9 | 0 | 0 | 0 | 112.1 | Q367 K375 T381 N383 | Q367-N371 WeakPolarHBondContact O-CB 3.32Å; Q367-N371 PolarHBondContact O-N 3.36Å; Q367-N371 PolarHBondContact O-ND2 2.99Å; N371-K375 WeakPolarHBondContact O-CB 3.37Å; N371-K375 WeakPolarHBondContact O-CD 3.45Å; N371-K375 WeakPolarHBondContact O-CG 3.48Å; N371-K375 PolarHBondContact O-N 2.95Å; N371-T381 VanDerWaalsContact CG-OG1 3.3Å; N371-T381 WeakPolarHBondContact OD1-CB 3.35Å; N371-T381 WeakPolarHBondContact OD1-CG2 3.49Å; N371-T381 PolarHBondContact OD1-OG1 3.43Å; N371-N383 PolarHBondContact ND2-O 2.86Å |
| 372 | A | 82.4 | Confident | 84.2 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N368 A369 M370 H376 | N368-A372 WeakPolarHBondContact O-CB 3.42Å; N368-A372 PolarHBondContact O-N 3.43Å; A369-A372 PolarHBondContact O-N 3.02Å; M370-A372 VanDerWaalsContact C-N 3.29Å; M370-A372 PolarHBondContact O-N 3.33Å; A372-H376 PolarHBondContact O-N 3.21Å |
| 373 | Q | 84.2 | Confident | 83 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 177.5 | -65.9 | 179.7 | -62.7 | 0 | 0 | 112.8 | I338 A369 M370 K375 H376 I377 A392 I399 F400 T401 | I338-Q373 HydrophobicContact CD1-CB 4.35Å; I338-Q373 VanDerWaalsContact CG2-OE1 3.31Å; A369-Q373 WeakPolarHBondContact O-CG 3.25Å; A369-Q373 PolarHBondContact O-N 2.69Å; M370-Q373 PolarHBondContact O-N 2.76Å; Q373-K375 VanDerWaalsContact C-N 3.3Å; Q373-K375 PolarHBondContact O-N 2.8Å; Q373-H376 WeakPolarHBondContact O-CA 3.49Å; Q373-H376 VanDerWaalsContact O-CB 3.28Å; Q373-H376 WeakPolarHBondContact O-CB 3.3Å; Q373-H376 PolarHBondContact O-N 2.83Å; Q373-I377 PolarHBondContact O-N 3.48Å; Q373-I377 VanDerWaalsContact O-N 3.16Å; Q373-A392 HydrophobicContact CG-CB 4.19Å; Q373-I399 HydrophobicContact CB-CG2 4.1Å; Q373-I399 HydrophobicContact CG-CG2 3.99Å; Q373-I399 PolarHBondContact NE2-O 3.21Å; Q373-F400 PolarHBondContact NE2-O 2.86Å; Q373-F400 VanDerWaalsContact NE2-O 3.12Å; Q373-T401 VanDerWaalsContact NE2-CA 3.27Å; Q373-T401 VanDerWaalsContact OE1-CG2 3.27Å |
| 374 | L | 88.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | -179.6 | -71 | 167.9 | 0 | 0 | 0 | 110.4 | L263 T278 L280 V308 I338 M370 H376 I377 G378 I379 T381 | L263-L374 HydrophobicContact CD1-CD2 4.37Å; T278-L374 HydrophobicContact CG2-CD1 3.59Å; L280-L374 HydrophobicContact CD1-CD1 4.02Å; V308-L374 HydrophobicContact CG1-CD2 4.23Å; V308-L374 HydrophobicContact CG2-CD2 4.37Å; I338-L374 HydrophobicContact CD1-CD2 3.87Å; I338-L374 HydrophobicContact CD1-CG 4.41Å; M370-L374 WeakPolarHBondContact O-CB 3.33Å; M370-L374 WeakPolarHBondContact O-CG 3.45Å; M370-L374 PolarHBondContact O-N 3.34Å; L374-H376 VanDerWaalsContact C-N 3.31Å; L374-H376 PolarHBondContact O-N 3.39Å; L374-I377 HydrophobicContact CD2-CD1 4.35Å; L374-I377 CarbonylContact O-C 3.58Å; L374-I377 WeakPolarHBondContact O-CG1 3.38Å; L374-I377 PolarHBondContact O-N 2.9Å; L374-G378 PolarHBondContact O-N 3.32Å; L374-I379 CarbonylContact C-O 3.53Å; L374-I379 HydrophobicContact CB-CB 4.25Å; L374-I379 HydrophobicContact CB-CG2 4.1Å; L374-I379 HydrophobicContact CD2-CB 4.4Å; L374-I379 HydrophobicContact CD2-CG2 4.03Å; L374-I379 WeakPolarHBondContact O-CA 3.39Å; L374-I379 WeakPolarHBondContact O-CB 3.45Å; L374-I379 PolarHBondContact O-N 3.4Å; L374-T381 HydrophobicContact CB-CG2 3.75Å; L374-T381 HydrophobicContact CD1-CG2 3.47Å; L374-T381 VanDerWaalsContact CD1-CG2 3.47Å; L374-T381 HydrophobicContact CG-CG2 4.25Å |
| 375 | K | 85.4 | Confident | 79.5 | Confident | 97 Ų | 97 | 45.1 Ų | 45.1 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.8 | -34.2 | 171.2 | -71.5 | 169.3 | -173.8 | 176.3 | 0 | 113.3 | N371 Q373 I377 G378 I379 S384 | N371-K375 WeakPolarHBondContact O-CB 3.37Å; N371-K375 WeakPolarHBondContact O-CD 3.45Å; N371-K375 WeakPolarHBondContact O-CG 3.48Å; N371-K375 PolarHBondContact O-N 2.95Å; Q373-K375 VanDerWaalsContact C-N 3.3Å; Q373-K375 PolarHBondContact O-N 2.8Å; K375-I377 VanDerWaalsContact C-N 3.35Å; K375-G378 PolarHBondContact O-N 3.34Å; K375-G378 VanDerWaalsContact O-N 3.08Å; K375-I379 PolarHBondContact N-O 2.69Å; K375-S384 WeakPolarHBondContact CE-OG 3.49Å; K375-S384 PolarHBondContact NZ-OG 2.96Å |
| 376 | H | 81.8 | Confident | 77.5 | Confident | 104 Ų | 104 | 47.3 Ų | 47.3 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176.2 | -173.5 | 96.8 | 0 | 0 | 0 | 112.2 | A372 Q373 L374 G378 A392 | A372-H376 PolarHBondContact O-N 3.21Å; Q373-H376 WeakPolarHBondContact O-CA 3.49Å; Q373-H376 VanDerWaalsContact O-CB 3.28Å; Q373-H376 WeakPolarHBondContact O-CB 3.3Å; Q373-H376 PolarHBondContact O-N 2.83Å; L374-H376 VanDerWaalsContact C-N 3.31Å; L374-H376 PolarHBondContact O-N 3.39Å; H376-G378 VanDerWaalsContact C-N 3.26Å; H376-G378 PolarHBondContact O-N 3.42Å; H376-A392 HydrophobicContact CB-CB 4.11Å |
| 377 | I | 84.7 | Confident | 74.9 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 20% | 0.195 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 19.1 | 171.8 | 62.3 | 175.4 | 0 | 0 | 0 | 113.6 | V308 E336 I338 Q373 L374 K375 I379 I399 | V308-I377 HydrophobicContact CG1-CD1 4.26Å; V308-I377 HydrophobicContact CG2-CD1 3.94Å; E336-I377 HydrophobicContact CB-CD1 4.02Å; E336-I377 HydrophobicContact CG-CD1 4.46Å; E336-I377 HydrophobicContact CG-CG2 4.45Å; I338-I377 HydrophobicContact CD1-CD1 4.12Å; Q373-I377 PolarHBondContact O-N 3.48Å; Q373-I377 VanDerWaalsContact O-N 3.16Å; L374-I377 HydrophobicContact CD2-CD1 4.35Å; L374-I377 CarbonylContact O-C 3.58Å; L374-I377 WeakPolarHBondContact O-CG1 3.38Å; L374-I377 PolarHBondContact O-N 2.9Å; K375-I377 VanDerWaalsContact C-N 3.35Å; I377-I379 VanDerWaalsContact C-N 3.28Å; I377-I379 HydrophobicContact CD1-CD1 3.86Å; I377-I379 HydrophobicContact CG1-CB 4.44Å; I377-I379 HydrophobicContact CG1-CD1 4.09Å; I377-I379 HydrophobicContact CG1-CG1 4.36Å; I377-I379 PolarHBondContact O-N 2.81Å; I377-I399 HydrophobicContact CG2-CD1 3.58Å; I377-I399 HydrophobicContact CG2-CG1 4.16Å |
| 378 | G | 83.9 | Confident | 72.6 | Confident | 63 Ų | 63 | 54 Ų | 54 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 9.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L374 K375 H376 P380 | L374-G378 PolarHBondContact O-N 3.32Å; K375-G378 PolarHBondContact O-N 3.34Å; K375-G378 VanDerWaalsContact O-N 3.08Å; H376-G378 VanDerWaalsContact C-N 3.26Å; H376-G378 PolarHBondContact O-N 3.42Å; G378-P380 WeakPolarHBondContact O-CD 3.35Å |
| 379 | I | 84.2 | Confident | 70.6 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.051 | 35% | 0.353 | C | S | . | . | trans | -91 | 117.4 | -178.3 | -73.7 | 172.5 | 0 | 0 | 0 | 110.6 | P261 L280 P306 V308 L374 K375 I377 | P261-I379 HydrophobicContact CB-CD1 4.21Å; P261-I379 HydrophobicContact CB-CG1 4.28Å; P261-I379 HydrophobicContact CB-CG2 3.65Å; P261-I379 HydrophobicContact CG-CB 4.4Å; P261-I379 HydrophobicContact CG-CG1 4.15Å; P261-I379 HydrophobicContact CG-CG2 3.67Å; L280-I379 HydrophobicContact CD1-CG2 3.91Å; P306-I379 HydrophobicContact CB-CD1 4.08Å; P306-I379 HydrophobicContact CB-CG1 4.47Å; V308-I379 HydrophobicContact CG2-CD1 3.27Å; L374-I379 CarbonylContact C-O 3.53Å; L374-I379 HydrophobicContact CB-CB 4.25Å; L374-I379 HydrophobicContact CB-CG2 4.1Å; L374-I379 HydrophobicContact CD2-CB 4.4Å; L374-I379 HydrophobicContact CD2-CG2 4.03Å; L374-I379 WeakPolarHBondContact O-CA 3.39Å; L374-I379 WeakPolarHBondContact O-CB 3.45Å; L374-I379 PolarHBondContact O-N 3.4Å; K375-I379 PolarHBondContact N-O 2.69Å; I377-I379 VanDerWaalsContact C-N 3.28Å; I377-I379 HydrophobicContact CD1-CD1 3.86Å; I377-I379 HydrophobicContact CG1-CB 4.44Å; I377-I379 HydrophobicContact CG1-CD1 4.09Å; I377-I379 HydrophobicContact CG1-CG1 4.36Å; I377-I379 PolarHBondContact O-N 2.81Å | ||
| 380 | P | 75.4 | Confident | 68.6 | Low | 95 Ų | 95 | 64.4 Ų | 64.4 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | trans | -76.6 | 139.1 | 176.1 | 31.4 | -34 | 0 | 0 | 0 | 111.1 | G378 | G378-P380 WeakPolarHBondContact O-CD 3.35Š| ||
| 381 | T | 70.2 | Confident | 66.5 | Low | 11 Ų | 11 | 73.1 Ų | 73.1 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | trans | -109.1 | 128.4 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | L280 N371 L374 N383 S384 | L280-T381 HydrophobicContact CD1-CG2 4.27Å; N371-T381 VanDerWaalsContact CG-OG1 3.3Å; N371-T381 WeakPolarHBondContact OD1-CB 3.35Å; N371-T381 WeakPolarHBondContact OD1-CG2 3.49Å; N371-T381 PolarHBondContact OD1-OG1 3.43Å; L374-T381 HydrophobicContact CB-CG2 3.75Å; L374-T381 HydrophobicContact CD1-CG2 3.47Å; L374-T381 VanDerWaalsContact CD1-CG2 3.47Å; L374-T381 HydrophobicContact CG-CG2 4.25Å; T381-N383 VanDerWaalsContact C-N 3.29Å; T381-N383 PolarHBondContact O-N 3.04Å; T381-S384 VanDerWaalsContact O-CB 3.29Å; T381-S384 WeakPolarHBondContact O-CB 3.37Å | ||
| 382 | P | 69.6 | Low | 64.6 | Low | 90 Ų | 90 | 73.3 Ų | 73.3 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -40.4 | 176.6 | -29.5 | 35.1 | 0 | 0 | 0 | 114 | T278 L280 S384 | T278-P382 WeakPolarHBondContact O-CD 3.47Å; L280-P382 HydrophobicContact CD2-CG 4.25Å; P382-S384 PolarHBondContact O-N 2.95Å |
| 383 | N | 64.9 | Low | 62.8 | Low | 57 Ų | 57 | 76.3 Ų | 76.3 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 42.8 | -174.3 | -62.6 | -2.4 | 0 | 0 | 0 | 113 | E276 A277 T278 G279 Q367 N371 T381 D385 | E276-N383 PolarHBondContact O-ND2 3.04Å; A277-N383 VanDerWaalsContact O-CB 3.3Å; A277-N383 WeakPolarHBondContact O-CB 3.04Å; A277-N383 PolarHBondContact O-ND2 2.76Å; T278-N383 PolarHBondContact O-N 2.85Å; G279-N383 PolarHBondContact N-ND2 2.56Å; Q367-N383 PolarHBondContact NE2-O 3.33Å; N371-N383 PolarHBondContact ND2-O 2.86Å; T381-N383 VanDerWaalsContact C-N 3.29Å; T381-N383 PolarHBondContact O-N 3.04Å; N383-D385 PolarHBondContact O-N 3.16Å |
| 384 | S | 54.5 | Low | 60.9 | Low | 51 Ų | 51 | 79.4 Ų | 79.4 | 36% | 0.357 | 45% | 0.448 | S | S | . | . | trans | -94.6 | 64.7 | -171.9 | 174.8 | 0 | 0 | 0 | 0 | 113.7 | K375 T381 P382 | K375-S384 WeakPolarHBondContact CE-OG 3.49Å; K375-S384 PolarHBondContact NZ-OG 2.96Å; T381-S384 VanDerWaalsContact O-CB 3.29Å; T381-S384 WeakPolarHBondContact O-CB 3.37Å; P382-S384 PolarHBondContact O-N 2.95Å | ||
| 385 | D | 47.2 | Very low | 58.5 | Low | 135 Ų | 135 | 83.8 Ų | 83.8 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | trans | -86.4 | 141.8 | 167.4 | -91.3 | -43.9 | 0 | 0 | 0 | 112.5 | N383 | N383-D385 PolarHBondContact O-N 3.16Š| ||
| 386 | T | 45.2 | Very low | 56.7 | Low | 107 Ų | 107 | 86.1 Ų | 86.1 | 66% | 0.656 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 69.7 | 152.5 | -179.8 | 73.4 | 0 | 0 | 0 | 0 | 117.5 | ||
| 387 | A | 35.1 | Very low | 55.3 | Low | 89 Ų | 89 | 85.6 Ų | 85.6 | 74% | 0.736 | 49% | 0.488 | S | S | * | . | trans | -116.3 | 72 | -166.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 388 | D | 41.8 | Very low | 53.3 | Low | 92 Ų | 92 | 85.7 Ų | 85.7 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | trans | -109.6 | 90.8 | 173.9 | -162.2 | 25.2 | 0 | 0 | 0 | 109.6 | R390 | D388-R390 PolarHBondContact O-N 2.76Å; D388-R390 IonicContact OD1-NE 3.55Å; D388-R390 IonicContact OD2-CZ 2.73Å; D388-R390 IonicContact OD2-NE 2.65Å; D388-R390 PolarHBondContact OD2-NE 3.06Å; D388-R390 IonicContact OD2-NH2 3.38Å; D388-R390 PolarHBondContact OD2-NH2 2.89Å | ||
| 389 | H | 42 | Very low | 52.2 | Low | 177 Ų | 177 | 83 Ų | 83 | 82% | 0.819 | 46% | 0.459 | S | S | * | . | trans | -75.5 | 105.5 | -179.4 | -69.7 | -89.5 | 0 | 0 | 0 | 110.1 | ||||
| 390 | R | 43.8 | Very low | 51.2 | Low | 112 Ų | 112 | 84.5 Ų | 84.5 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | trans | -116.7 | 135.4 | 172.7 | -57.7 | -174 | -171.7 | -146.2 | -2.3 | 109.8 | D388 A392 | D388-R390 PolarHBondContact O-N 2.76Å; D388-R390 IonicContact OD1-NE 3.55Å; D388-R390 IonicContact OD2-CZ 2.73Å; D388-R390 IonicContact OD2-NE 2.65Å; D388-R390 PolarHBondContact OD2-NE 3.06Å; D388-R390 IonicContact OD2-NH2 3.38Å; D388-R390 PolarHBondContact OD2-NH2 2.89Å; R390-A392 PolarHBondContact O-N 3.19Å | ||
| 391 | E | 45.8 | Very low | 50.4 | Low | 183 Ų | 183 | 80 Ų | 80 | 86% | 0.855 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 129.7 | 176.7 | -61.8 | -176.4 | 152.8 | 0 | 0 | 109.3 | ||
| 392 | A | 46.4 | Very low | 49.7 | Very low | 10 Ų | 10 | 80.4 Ų | 80.4 | 8% | 0.083 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 135.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q373 H376 R390 V394 I399 | Q373-A392 HydrophobicContact CG-CB 4.19Å; H376-A392 HydrophobicContact CB-CB 4.11Å; R390-A392 PolarHBondContact O-N 3.19Å; A392-V394 PolarHBondContact O-N 2.84Å; A392-I399 HydrophobicContact CB-CG2 3.81Å |
| 393 | V | 45.3 | Very low | 48.8 | Very low | 82 Ų | 82 | 79 Ų | 79 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 120.6 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | I395 F400 | V393-I395 HydrophobicContact CG1-CG1 4.3Å; V393-F400 HydrophobicContact CB-CB 4.19Å; V393-F400 WeakPolarHBondContact O-CB 3.32Å; V393-F400 PolarHBondContact O-N 3.36Å |
| 394 | V | 42.7 | Very low | 48.1 | Very low | 64 Ų | 64 | 80 Ų | 80 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.9 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | A392 L398 I399 | A392-V394 PolarHBondContact O-N 2.84Å; V394-L398 WeakPolarHBondContact CA-O 3.39Å; V394-I399 HydrophobicContact CG2-CG1 4.11Å |
| 395 | I | 38.4 | Very low | 47.6 | Very low | 92 Ų | 92 | 84.5 Ų | 84.5 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.2 | 170.1 | -55 | 171.5 | 0 | 0 | 0 | 106.1 | V393 N397 L398 F400 | V393-I395 HydrophobicContact CG1-CG1 4.3Å; I395-N397 PolarHBondContact O-N 3.48Å; I395-L398 PolarHBondContact N-O 2.85Å; I395-L398 WeakPolarHBondContact O-CB 3.39Å; I395-L398 PolarHBondContact O-N 2.85Å; I395-F400 HydrophobicContact CB-CD2 4.42Å; I395-F400 HydrophobicContact CB-CE2 3.88Å; I395-F400 HydrophobicContact CD1-CD2 4.28Å; I395-F400 HydrophobicContact CD1-CE2 4Å; I395-F400 HydrophobicContact CD1-CZ 4.43Å; I395-F400 HydrophobicContact CG1-CD2 4.27Å; I395-F400 HydrophobicContact CG1-CE2 4.09Å |
| 396 | D | 48.9 | Very low | 47.1 | Very low | 146 Ų | 146 | 84.9 Ų | 84.9 | 78% | 0.781 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -112.7 | -169.7 | -56.4 | -51.1 | 0 | 0 | 0 | 113.1 | ||
| 397 | N | 51.3 | Low | 46.5 | Very low | 94 Ų | 94 | 89.3 Ų | 89.3 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 12.4 | 174.5 | -66.2 | -61.1 | 0 | 0 | 0 | 112.8 | I395 K775 | I395-N397 PolarHBondContact O-N 3.48Å; N397-K775 PolarHBondContact OD1-NZ 3.37Å |
| 398 | L | 42.7 | Very low | 46.2 | Very low | 39 Ų | 39 | 90.7 Ų | 90.7 | 20% | 0.204 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127 | -171.8 | -57 | 175 | 0 | 0 | 0 | 110.6 | V323 V337 I339 V394 I395 F400 | V323-L398 HydrophobicContact CG1-CD1 4.4Å; V337-L398 HydrophobicContact CB-CD2 3.89Å; V337-L398 HydrophobicContact CG1-CD2 3.82Å; I339-L398 HydrophobicContact CD1-CB 4Å; I339-L398 HydrophobicContact CD1-CD1 3.79Å; I339-L398 HydrophobicContact CD1-CD2 4.05Å; I339-L398 HydrophobicContact CD1-CG 4.16Å; V394-L398 WeakPolarHBondContact CA-O 3.39Å; I395-L398 PolarHBondContact N-O 2.85Å; I395-L398 WeakPolarHBondContact O-CB 3.39Å; I395-L398 PolarHBondContact O-N 2.85Å; L398-F400 HydrophobicContact CB-CE2 3.78Å; L398-F400 HydrophobicContact CB-CZ 4.35Å; L398-F400 WeakPolarHBondContact O-CD2 3.47Å |
| 399 | I | 61.7 | Low | 45.7 | Very low | 6 Ų | 6 | 94.4 Ų | 94.4 | 3% | 0.031 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.5 | -178.8 | -55.5 | 107.1 | 0 | 0 | 0 | 110.6 | V337 I339 Q373 I377 A392 V394 | V337-I399 WeakPolarHBondContact O-CD1 3.47Å; V337-I399 PolarHBondContact O-N 2.76Å; I339-I399 PolarHBondContact N-O 3.35Å; Q373-I399 HydrophobicContact CB-CG2 4.1Å; Q373-I399 HydrophobicContact CG-CG2 3.99Å; Q373-I399 PolarHBondContact NE2-O 3.21Å; I377-I399 HydrophobicContact CG2-CD1 3.58Å; I377-I399 HydrophobicContact CG2-CG1 4.16Å; A392-I399 HydrophobicContact CB-CG2 3.81Å; V394-I399 HydrophobicContact CG2-CG1 4.11Å |
| 400 | F | 61.9 | Low | 45.2 | Very low | 42 Ų | 42 | 94 Ų | 94 | 18% | 0.184 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 140.3 | -175.2 | -71.9 | -93.8 | 0 | 0 | 0 | 111.8 | I339 A341 Q373 V393 I395 L398 | I339-F400 HydrophobicContact CB-CD1 4.38Å; I339-F400 HydrophobicContact CB-CE1 4.27Å; I339-F400 HydrophobicContact CD1-CE1 4.44Å; I339-F400 HydrophobicContact CD1-CZ 4.2Å; I339-F400 HydrophobicContact CG2-CD1 4.42Å; I339-F400 HydrophobicContact CG2-CE1 4.1Å; A341-F400 HydrophobicContact CB-CB 3.89Å; A341-F400 HydrophobicContact CB-CD1 3.96Å; A341-F400 HydrophobicContact CB-CG 4.43Å; Q373-F400 PolarHBondContact NE2-O 2.86Å; Q373-F400 VanDerWaalsContact NE2-O 3.12Å; V393-F400 HydrophobicContact CB-CB 4.19Å; V393-F400 WeakPolarHBondContact O-CB 3.32Å; V393-F400 PolarHBondContact O-N 3.36Å; I395-F400 HydrophobicContact CB-CD2 4.42Å; I395-F400 HydrophobicContact CB-CE2 3.88Å; I395-F400 HydrophobicContact CD1-CD2 4.28Å; I395-F400 HydrophobicContact CD1-CE2 4Å; I395-F400 HydrophobicContact CD1-CZ 4.43Å; I395-F400 HydrophobicContact CG1-CD2 4.27Å; I395-F400 HydrophobicContact CG1-CE2 4.09Å; L398-F400 HydrophobicContact CB-CE2 3.78Å; L398-F400 HydrophobicContact CB-CZ 4.35Å; L398-F400 WeakPolarHBondContact O-CD2 3.47Å |
| 401 | T | 59.5 | Low | 44.5 | Very low | 2 Ų | 2 | 94.1 Ų | 94.1 | 1% | 0.012 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 130.6 | -178.1 | 57 | 0 | 0 | 0 | 0 | 110 | I339 A341 F354 L357 M370 Q373 V403 | I339-T401 PolarHBondContact O-N 3.23Å; A341-T401 VanDerWaalsContact CB-O 3.32Å; A341-T401 WeakPolarHBondContact CB-O 3.28Å; A341-T401 WeakPolarHBondContact CB-OG1 3.35Å; A341-T401 PolarHBondContact N-OG1 2.9Å; F354-T401 HydrophobicContact CE1-CG2 3.98Å; L357-T401 HydrophobicContact CD2-CG2 3.79Å; M370-T401 HydrophobicContact SD-CG2 4.23Å; Q373-T401 VanDerWaalsContact NE2-CA 3.27Å; Q373-T401 VanDerWaalsContact OE1-CG2 3.27Å; T401-V403 PolarHBondContact O-N 3.44Å |
| 402 | P | 54.4 | Low | 44.1 | Very low | 18 Ų | 18 | 91.1 Ų | 91.1 | 12% | 0.117 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 125.2 | 180 | 22.1 | -32.8 | 0 | 0 | 0 | 111.5 | R361 A369 | R361-P402 PolarHBondContact NH1-O 3.12Å; A369-P402 HydrophobicContact CB-CG 3.95Å |
| 403 | V | 52 | Low | 43.5 | Very low | 61 Ų | 61 | 98.9 Ų | 98.9 | 37% | 0.37 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 147.3 | 174.7 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | A341 T343 T401 | A341-V403 HydrophobicContact CB-CG2 4.23Å; A341-V403 WeakPolarHBondContact O-CG2 3.31Å; T343-V403 HydrophobicContact CG2-CG1 3.48Å; T343-V403 VanDerWaalsContact CG2-CG1 3.48Å; T401-V403 PolarHBondContact O-N 3.44Å |
| 404 | K | 48.5 | Very low | 42.9 | Very low | 78 Ų | 78 | 100.3 Ų | 100.3 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | trans | -121.2 | 98.1 | -177.8 | -175.9 | -167.6 | 179.7 | -158.9 | 0 | 109.5 | N365 E406 | N365-K404 PolarHBondContact OD1-NZ 2.81Å; K404-E406 HydrophobicContact CD-CG 4.37Å; K404-E406 VanDerWaalsContact CE-OE1 3.31Å; K404-E406 WeakPolarHBondContact CE-OE1 3.21Å; K404-E406 HydrophobicContact CG-CG 4.42Å; K404-E406 IonicContact NZ-OE1 3.25Å; K404-E406 PolarHBondContact NZ-OE1 2.9Å; K404-E406 PolarHBondContact O-N 2.97Å | ||
| 405 | D | 44.4 | Very low | 42.4 | Very low | 146 Ų | 146 | 106.4 Ų | 106.4 | 78% | 0.781 | 54% | 0.544 | S | S | * | . | trans | -67.7 | 102.4 | 172.3 | -70.8 | -31.9 | 0 | 0 | 0 | 110.1 | K407 | D405-K407 VanDerWaalsContact C-N 3.27Å; D405-K407 PolarHBondContact O-N 3.26Å | ||
| 406 | E | 37.2 | Very low | 42 | Very low | 142 Ų | 142 | 109.5 Ų | 109.5 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | trans | -76.3 | 77.4 | 177.5 | -63.1 | -141.5 | 141.3 | 0 | 0 | 111.5 | K404 P408 | K404-E406 HydrophobicContact CD-CG 4.37Å; K404-E406 VanDerWaalsContact CE-OE1 3.31Å; K404-E406 WeakPolarHBondContact CE-OE1 3.21Å; K404-E406 HydrophobicContact CG-CG 4.42Å; K404-E406 IonicContact NZ-OE1 3.25Å; K404-E406 PolarHBondContact NZ-OE1 2.9Å; K404-E406 PolarHBondContact O-N 2.97Å; E406-P408 VanDerWaalsContact O-CD 3.3Å; E406-P408 WeakPolarHBondContact O-CD 3.38Å | ||
| 407 | K | 32.7 | Very low | 41.2 | Very low | 200 Ų | 200 | 107.7 Ų | 107.7 | 87% | 0.87 | 56% | 0.556 | S | S | * | * | trans | -67 | 115.3 | 165.7 | -122.6 | 173.9 | -174.1 | 168.3 | 0 | 109 | D405 Q409 | D405-K407 VanDerWaalsContact C-N 3.27Å; D405-K407 PolarHBondContact O-N 3.26Å; K407-Q409 PolarHBondContact O-N 3.34Å | ||
| 408 | P | 29.9 | Very low | 40.3 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | trans | -88.9 | 101.3 | -165.5 | 32.7 | -33.8 | 0 | 0 | 0 | 112.5 | E406 | E406-P408 VanDerWaalsContact O-CD 3.3Å; E406-P408 WeakPolarHBondContact O-CD 3.38Å | ||
| 409 | Q | 30.2 | Very low | 39.7 | Very low | 169 Ų | 169 | 112 Ų | 112 | 79% | 0.79 | 60% | 0.596 | S | S | * | * | trans | -164.6 | 123.2 | 152.8 | -115.1 | 164.3 | 5.8 | 0 | 0 | 117.1 | K407 | K407-Q409 PolarHBondContact O-N 3.34Š| ||
| 410 | M | 31.2 | Very low | 38.4 | Very low | 168 Ų | 168 | 117 Ų | 117 | 83% | 0.828 | 63% | 0.63 | S | S | * | * | trans | 46.3 | 110.6 | 147.1 | -65.6 | -170.4 | -76.3 | 0 | 0 | 121.5 | ||||
| 411 | S | 29.6 | Very low | 36.7 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | trans | -83.5 | -174.5 | 168.4 | -40.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 412 | P | 37.3 | Very low | 35.2 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | -136.3 | 169.5 | -73.6 | 40.3 | -24.3 | 0 | 0 | 0 | 113.6 | |||||
| 413 | E | 33.6 | Very low | 33.9 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -152.5 | 118.1 | 159.8 | -113.9 | -160.2 | 144.2 | 0 | 0 | 117.7 | ||||
| 414 | N | 32.2 | Very low | 32.7 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | trans | 66.4 | 110 | 132.3 | -100.9 | -38.9 | 0 | 0 | 0 | 123.9 | ||||
| 415 | R | 32.1 | Very low | 31.7 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | 110.8 | 108.8 | 127.1 | -64.9 | -179.4 | -163.1 | -171.7 | 11.5 | 123.8 | |||||
| 416 | Q | 31.3 | Very low | 30.9 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | 80 | 124.2 | 119.1 | -66.1 | -177.5 | -86.4 | 0 | 0 | 123.5 | |||||
| 417 | S | 31.3 | Very low | 30.4 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 72.6 | 146 | 142.5 | -79.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 418 | T | 32.3 | Very low | 30.3 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | cis | -138 | 163.9 | 9 | 44.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 419 | A | 31.1 | Very low | 30.1 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -77 | -170.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 420 | P | 33.3 | Very low | 30.3 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -116 | 162.2 | 11 | 13.9 | 12.9 | 0 | 0 | 0 | 114.2 | ||||
| 421 | E | 26.9 | Very low | 30 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | 71.2 | 110.9 | 60.7 | -162.9 | 178.8 | -138.6 | 0 | 0 | 114.7 | |||||
| 422 | T | 28.6 | Very low | 29.7 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -159.4 | 135.2 | 162 | -66.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 423 | E | 27.6 | Very low | 29.1 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | -65.9 | 175.8 | 175.4 | -72.7 | 171.6 | 143.5 | 0 | 0 | 114.3 | ||||
| 424 | L | 26.8 | Very low | 28.8 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | cis | -177.7 | 165.2 | -27.9 | -170.8 | 96.6 | 0 | 0 | 0 | 106.1 | ||||
| 425 | A | 27.1 | Very low | 28.5 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | trans | 70.2 | 157.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 426 | T | 26.2 | Very low | 28.3 | Very low | 125 Ų | 125 | 129 Ų | 129 | 77% | 0.767 | 73% | 0.726 | S | S | * | * | cis | -170.5 | 137.6 | -32.2 | 36.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 427 | Q | 28.1 | Very low | 28.1 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -164.4 | 156.7 | 153.6 | -74.1 | -160.6 | -87.8 | 0 | 0 | 108.1 | ||||
| 428 | D | 29.3 | Very low | 28 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | cis | -163.3 | 154.4 | -26.1 | -94.8 | -20.7 | 0 | 0 | 0 | 108.1 | ||||
| 429 | T | 26.4 | Very low | 27.8 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | trans | -158.4 | 173.2 | 179.7 | 55 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 430 | P | 34 | Very low | 27.7 | Very low | 79 Ų | 79 | 124 Ų | 124 | 51% | 0.513 | 68% | 0.68 | S | S | . | * | cis | -136.6 | -170.9 | -25.7 | 21.8 | 4.2 | 0 | 0 | 0 | 114.6 | ||||
| 431 | Y | 25.8 | Very low | 27.7 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 45% | 0.451 | 67% | 0.665 | S | S | . | * | trans | 85.4 | 133.8 | 151.1 | -73.4 | -63.2 | 0 | 0 | 0 | 125.6 | N258 T303 D304 | N258-Y431 PolarHBondContact ND2-OH 3.09Å; T303-Y431 HydrophobicContact CG2-CE1 4.17Å; D304-Y431 WeakPolarHBondContact OD2-CE2 3.42Å; D304-Y431 VanDerWaalsContact OD2-CZ 3.25Å; D304-Y431 PolarHBondContact OD2-OH 2.76Å | ||
| 432 | D | 23.3 | Very low | 28.1 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | trans | 61.7 | 155.1 | 139.2 | -64.6 | -19.7 | 0 | 0 | 0 | 121.4 | ||||
| 433 | T | 24.8 | Very low | 28.5 | Very low | 100 Ų | 100 | 116.9 Ų | 116.9 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | cis | -157.5 | 170.2 | 13.7 | -16.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 434 | H | 26.2 | Very low | 29.1 | Very low | 169 Ų | 169 | 114.4 Ų | 114.4 | 78% | 0.782 | 62% | 0.624 | S | S | * | * | trans | 68.4 | 160.2 | 155.2 | -60.2 | -52.5 | 0 | 0 | 0 | 119.6 | ||||
| 435 | S | 25.5 | Very low | 29.8 | Very low | 84 Ų | 84 | 112.9 Ų | 112.9 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | cis | -169 | 170.8 | -32.5 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 436 | D | 29.1 | Very low | 30.5 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | trans | 78 | 109.3 | 150.8 | -47.6 | -35.6 | 0 | 0 | 0 | 125 | ||||
| 437 | D | 27.5 | Very low | 31.2 | Very low | 135 Ų | 135 | 110 Ų | 110 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | 72.5 | 175.1 | 120.4 | -73.3 | 6.4 | 0 | 0 | 0 | 126.2 | K1327 | D437-K1327 WeakPolarHBondContact O-CE 3.45Å; D437-K1327 PolarHBondContact O-NZ 3.23Å | |||
| 438 | T | 28.8 | Very low | 32.1 | Very low | 108 Ų | 108 | 103.7 Ų | 103.7 | 66% | 0.663 | 56% | 0.56 | S | S | * | * | trans | 92.7 | 41.4 | 172 | -32.1 | 0 | 0 | 0 | 0 | 118.8 | K1327 | T438-K1327 VanDerWaalsContact C-NZ 3.28Å; T438-K1327 WeakPolarHBondContact O-CD 3.46Å; T438-K1327 WeakPolarHBondContact O-CE 3.31Å | ||
| 439 | E | 27.2 | Very low | 33 | Very low | 53 Ų | 53 | 99.8 Ų | 99.8 | 25% | 0.248 | 55% | 0.545 | C | S | . | . | trans | -95.4 | 120.9 | 162.8 | -115.5 | 117.6 | 163.8 | 0 | 0 | 109.8 | K1327 D1331 K1334 | E439-K1327 HydrophobicContact CB-CD 4.45Å; E439-K1327 HydrophobicContact CG-CB 3.98Å; E439-K1327 HydrophobicContact CG-CD 4Å; E439-K1327 HydrophobicContact CG-CG 4.1Å; E439-K1327 VanDerWaalsContact OE1-O 3.11Å; E439-K1327 IonicContact OE2-NZ 3.91Å; E439-K1327 PolarHBondContact OE2-NZ 3.5Å; E439-D1331 HydrophobicContact CG-CB 4.24Å; E439-D1331 VanDerWaalsContact OE1-CB 3.3Å; E439-D1331 WeakPolarHBondContact OE1-CB 3.3Å; E439-K1334 IonicContact OE1-NZ 2.59Å; E439-K1334 PolarHBondContact OE1-NZ 3.38Å; E439-K1334 IonicContact OE2-NZ 2.7Å | ||
| 440 | N | 30.3 | Very low | 33.7 | Very low | 87 Ų | 87 | 96.1 Ų | 96.1 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | trans | 168.5 | 110.2 | 154.2 | -91.7 | -27.5 | 0 | 0 | 0 | 113 | P36 K39 | P36-N440 PolarHBondContact O-ND2 2.75Å; K39-N440 WeakPolarHBondContact CE-ND2 3.34Å; K39-N440 WeakPolarHBondContact CE-OD1 3.45Å; K39-N440 VanDerWaalsContact NZ-CG 3.27Å; K39-N440 PolarHBondContact NZ-OD1 2.76Å | ||
| 441 | Q | 32.5 | Very low | 34.3 | Very low | 89 Ų | 89 | 95.4 Ų | 95.4 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | trans | -149.1 | -35.9 | 165 | -117.1 | 156.5 | 11.3 | 0 | 0 | 116 | Y443 E444 R1318 | Q441-Y443 PolarHBondContact O-N 2.79Å; Q441-E444 PolarHBondContact O-N 2.81Å; Q441-R1318 VanDerWaalsContact OE1-CZ 3.28Å | ||
| 442 | A | 35.3 | Very low | 35.2 | Very low | 77 Ų | 77 | 93.3 Ų | 93.3 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 34.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 443 | Y | 36.5 | Very low | 36 | Very low | 122 Ų | 122 | 92.4 Ų | 92.4 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.1 | -2.3 | 176.8 | -77.4 | -85.7 | 0 | 0 | 0 | 113.5 | K39 Q441 D445 | K39-Y443 HydrophobicContact CD-CD2 4.39Å; K39-Y443 HydrophobicContact CD-CG 4.05Å; Q441-Y443 PolarHBondContact O-N 2.79Å; Y443-D445 VanDerWaalsContact C-N 3.28Å; Y443-D445 PolarHBondContact O-N 2.86Å |
| 444 | E | 40 | Very low | 36.7 | Very low | 125 Ų | 125 | 92.8 Ų | 92.8 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.7 | -30.5 | -179.7 | -62 | -169.8 | 113.2 | 0 | 0 | 111.2 | Q441 D446 Y447 A448 | Q441-E444 PolarHBondContact O-N 2.81Å; E444-D446 PolarHBondContact O-N 3.27Å; E444-Y447 PolarHBondContact O-N 2.71Å; E444-Y447 VanDerWaalsContact O-N 3.11Å; E444-A448 WeakPolarHBondContact O-CB 3.17Å; E444-A448 PolarHBondContact O-N 3.27Å |
| 445 | D | 41.5 | Very low | 37.2 | Very low | 125 Ų | 125 | 89 Ų | 89 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 178.4 | -59.9 | -46.4 | 0 | 0 | 0 | 113.7 | Y443 Y447 A448 A449 | Y443-D445 VanDerWaalsContact C-N 3.28Å; Y443-D445 PolarHBondContact O-N 2.86Å; D445-Y447 VanDerWaalsContact C-N 3.27Å; D445-Y447 PolarHBondContact O-N 3.31Å; D445-A448 PolarHBondContact O-N 3.44Å; D445-A449 VanDerWaalsContact O-CB 3.3Å; D445-A449 WeakPolarHBondContact O-CB 3.44Å; D445-A449 PolarHBondContact O-N 3.08Å |
| 446 | D | 41.8 | Very low | 37.8 | Very low | 64 Ų | 64 | 90.6 Ų | 90.6 | 34% | 0.342 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 176.8 | -95.8 | 4.9 | 0 | 0 | 0 | 112.1 | R149 E444 | R149-D446 IonicContact CZ-OD1 3.75Å; R149-D446 IonicContact CZ-OD2 2.79Å; R149-D446 IonicContact NH1-OD1 2.96Å; R149-D446 IonicContact NH2-OD1 3.35Å; R149-D446 PolarHBondContact NH2-OD1 3.24Å; R149-D446 IonicContact NH2-OD2 3.75Å; R149-D446 PolarHBondContact NH2-OD2 3.39Å; E444-D446 PolarHBondContact O-N 3.27Å |
| 447 | Y | 42.2 | Very low | 38 | Very low | 79 Ų | 79 | 90 Ų | 90 | 31% | 0.31 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -82.2 | -35.8 | 178.1 | -120.1 | -117.1 | 0 | 0 | 0 | 111.2 | P13 W34 E444 D445 | P13-Y447 HydrophobicContact CB-CD1 4.21Å; P13-Y447 HydrophobicContact CB-CE1 3.93Å; P13-Y447 HydrophobicContact CG-CD1 3.84Å; P13-Y447 HydrophobicContact CG-CE1 3.72Å; P13-Y447 HydrophobicContact CG-CE2 4.42Å; P13-Y447 HydrophobicContact CG-CG 4.25Å; W34-Y447 HydrophobicContact CH2-CE2 4.26Å; E444-Y447 PolarHBondContact O-N 2.71Å; E444-Y447 VanDerWaalsContact O-N 3.11Å; D445-Y447 VanDerWaalsContact C-N 3.27Å; D445-Y447 PolarHBondContact O-N 3.31Å |
| 448 | A | 46.5 | Very low | 38.2 | Very low | 48 Ų | 48 | 87.7 Ų | 87.7 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E444 D445 Y450 A451 S452 | E444-A448 WeakPolarHBondContact O-CB 3.17Å; E444-A448 PolarHBondContact O-N 3.27Å; D445-A448 PolarHBondContact O-N 3.44Å; A448-Y450 PolarHBondContact O-N 3.31Å; A448-A451 PolarHBondContact O-N 2.96Å; A448-A451 VanDerWaalsContact O-N 3.08Å; A448-S452 PolarHBondContact O-N 2.71Å; A448-S452 PolarHBondContact O-OG 2.75Å; A448-S452 VanDerWaalsContact O-OG 3.05Å |
| 449 | A | 47.3 | Very low | 38.2 | Very low | 46 Ų | 46 | 91.7 Ų | 91.7 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -54.9 | -37 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D445 S452 L453 | D445-A449 VanDerWaalsContact O-CB 3.3Å; D445-A449 WeakPolarHBondContact O-CB 3.44Å; D445-A449 PolarHBondContact O-N 3.08Å; A449-S452 PolarHBondContact O-N 2.96Å; A449-L453 WeakPolarHBondContact O-CG 3.14Å; A449-L453 PolarHBondContact O-N 3.06Å |
| 450 | Y | 41.9 | Very low | 38.4 | Very low | 50 Ų | 50 | 95.8 Ų | 95.8 | 20% | 0.196 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -72.2 | -41.4 | 178.5 | -157.3 | -94.2 | 0 | 0 | 0 | 112.3 | E14 P146 A448 S452 L453 | E14-Y450 VanDerWaalsContact OE1-CE1 3.25Å; E14-Y450 WeakPolarHBondContact OE1-CE1 3.33Å; E14-Y450 PolarHBondContact OE1-OH 2.87Å; E14-Y450 VanDerWaalsContact OE2-CE1 3.23Å; E14-Y450 WeakPolarHBondContact OE2-CE1 3.46Å; P146-Y450 HydrophobicContact CB-CD2 3.74Å; P146-Y450 HydrophobicContact CB-CE2 4.29Å; P146-Y450 HydrophobicContact CG-CD2 3.98Å; A448-Y450 PolarHBondContact O-N 3.31Å; Y450-S452 VanDerWaalsContact C-N 3.27Å; Y450-S452 PolarHBondContact O-N 3.43Å; Y450-L453 PolarHBondContact O-N 3.48Å |
| 451 | A | 46.7 | Very low | 38.6 | Very low | 63 Ų | 63 | 100.2 Ų | 100.2 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.9 | -31.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A448 L453 S455 | A448-A451 PolarHBondContact O-N 2.96Å; A448-A451 VanDerWaalsContact O-N 3.08Å; A451-L453 VanDerWaalsContact C-N 3.32Å; A451-S455 PolarHBondContact O-OG 3.27Å |
| 452 | S | 44.1 | Very low | 38.6 | Very low | 72 Ų | 72 | 101.1 Ų | 101.1 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.2 | -17 | 175.3 | -58 | 0 | 0 | 0 | 0 | 114.5 | A448 A449 Y450 S455 V456 | A448-S452 PolarHBondContact O-N 2.71Å; A448-S452 PolarHBondContact O-OG 2.75Å; A448-S452 VanDerWaalsContact O-OG 3.05Å; A449-S452 PolarHBondContact O-N 2.96Å; Y450-S452 VanDerWaalsContact C-N 3.27Å; Y450-S452 PolarHBondContact O-N 3.43Å; S452-S455 PolarHBondContact O-OG 3.13Å; S452-V456 WeakPolarHBondContact O-CG2 3.35Å |
| 453 | L | 40.6 | Very low | 38.8 | Very low | 113 Ų | 113 | 102.4 Ų | 102.4 | 59% | 0.592 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -87.2 | -34.8 | 178.5 | -76.4 | 166.3 | 0 | 0 | 0 | 112.9 | A449 Y450 A451 S455 | A449-L453 WeakPolarHBondContact O-CG 3.14Å; A449-L453 PolarHBondContact O-N 3.06Å; Y450-L453 PolarHBondContact O-N 3.48Å; A451-L453 VanDerWaalsContact C-N 3.32Å; L453-S455 VanDerWaalsContact C-N 3.34Å; L453-S455 PolarHBondContact O-N 3.49Å |
| 454 | Q | 39.5 | Very low | 38.9 | Very low | 107 Ų | 107 | 102.5 Ų | 102.5 | 50% | 0.5 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.8 | -23.4 | 179.5 | -65.8 | -168.9 | 1.4 | 0 | 0 | 113.6 | V456 | Q454-V456 VanDerWaalsContact C-N 3.27Å; Q454-V456 PolarHBondContact O-N 2.94Å |
| 455 | S | 37 | Very low | 38.7 | Very low | 90 Ų | 90 | 105.2 Ų | 105.2 | 63% | 0.629 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -5.1 | -179.8 | 47.9 | 0 | 0 | 0 | 0 | 114.6 | A451 S452 L453 | A451-S455 PolarHBondContact O-OG 3.27Å; S452-S455 PolarHBondContact O-OG 3.13Å; L453-S455 VanDerWaalsContact C-N 3.34Å; L453-S455 PolarHBondContact O-N 3.49Å |
| 456 | V | 36.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 104.3 Ų | 104.3 | 72% | 0.715 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -7.6 | -175.7 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | S452 Q454 | S452-V456 WeakPolarHBondContact O-CG2 3.35Å; Q454-V456 VanDerWaalsContact C-N 3.27Å; Q454-V456 PolarHBondContact O-N 2.94Å |
| 457 | T | 33.2 | Very low | 38 | Very low | 120 Ų | 120 | 108.5 Ų | 108.5 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -113.6 | 31.6 | -172.2 | 59 | 0 | 0 | 0 | 0 | 114.6 | ||
| 458 | A | 32.1 | Very low | 37.6 | Very low | 85 Ų | 85 | 111.7 Ų | 111.7 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -141.6 | 15.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 459 | E | 29.8 | Very low | 37.1 | Very low | 193 Ų | 193 | 114.8 Ų | 114.8 | 90% | 0.902 | 66% | 0.658 | S | S | * | * | trans | -148.5 | 88.1 | 178.5 | -143 | 171.3 | -117.8 | 0 | 0 | 115.7 | ||||
| 460 | T | 30.4 | Very low | 36.5 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 85% | 0.847 | 68% | 0.677 | S | S | * | * | trans | -158 | 91.7 | 161.4 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 461 | L | 35.6 | Very low | 36 | Very low | 180 Ų | 180 | 121.2 Ų | 121.2 | 94% | 0.942 | 70% | 0.699 | S | S | * | * | trans | -176.2 | 131.8 | 149 | -102.3 | 154.7 | 0 | 0 | 0 | 110.9 | ||||
| 462 | S | 32.5 | Very low | 35.2 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -125.6 | -176 | -179.6 | -142.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 463 | P | 39 | Very low | 34.6 | Very low | 104 Ų | 104 | 125 Ų | 125 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | cis | -135.2 | -175.6 | -4.6 | 43.2 | -25.8 | 0 | 0 | 0 | 114.4 | ||||
| 464 | D | 37.7 | Very low | 34.2 | Very low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | 166.5 | 123.2 | 103.5 | -133.2 | -2 | 0 | 0 | 0 | 115.8 | |||||
| 465 | K | 36.5 | Very low | 33.9 | Very low | 182 Ų | 182 | 125.8 Ų | 125.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 70.8 | 156.3 | 150.7 | -76.1 | 169.4 | -170.8 | 171.6 | 0 | 125.5 | ||||
| 466 | P | 36.8 | Very low | 33.7 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | trans | -133.9 | -155.6 | -161.5 | 42.1 | -19.9 | 0 | 0 | 0 | 115.1 | ||||
| 467 | L | 31.9 | Very low | 33.5 | Very low | 152 Ų | 152 | 125 Ų | 125 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 87.4 | 143.7 | 178.4 | -51.7 | 169.5 | 0 | 0 | 0 | 113.7 | ||||
| 468 | E | 34.3 | Very low | 33.5 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | cis | -160.5 | 150.9 | 6.5 | -135.7 | -179.2 | -121.7 | 0 | 0 | 115.4 | ||||
| 469 | N | 34.6 | Very low | 33.7 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | trans | 67.1 | 129.9 | 138.3 | -88.7 | -25.2 | 0 | 0 | 0 | 126.4 | ||||
| 470 | I | 34.5 | Very low | 33.9 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 72.7 | 144.8 | 134.1 | -64.4 | 166.5 | 0 | 0 | 0 | 119.6 | ||||
| 471 | A | 32.1 | Very low | 34.1 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | cis | -171.8 | 157.8 | -33.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 472 | S | 30.9 | Very low | 34.1 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 53.4 | 107.1 | 149.3 | -64.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 473 | A | 31.6 | Very low | 34.1 | Very low | 100 Ų | 100 | 122 Ų | 122 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | 86.7 | 149.8 | 111.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 474 | A | 31.6 | Very low | 34.1 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | 84.1 | 99.2 | 148 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 475 | D | 32.7 | Very low | 33.8 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | 82.3 | 136.6 | 112.3 | -156.4 | 23.6 | 0 | 0 | 0 | 121.9 | |||||
| 476 | T | 32.9 | Very low | 33.6 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 55.2 | 153 | 174.9 | 60.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 477 | G | 32.3 | Very low | 33.4 | Very low | 62 Ų | 62 | 116 Ų | 116 | 64% | 0.639 | 73% | 0.734 | S | S | * | * | cis | 158.3 | 105.6 | -10 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 478 | T | 34.3 | Very low | 33.5 | Very low | 142 Ų | 142 | 116 Ų | 116 | 87% | 0.871 | 74% | 0.735 | S | S | * | * | trans | 65 | 173.5 | 156.6 | -42.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 479 | E | 36.6 | Very low | 33.4 | Very low | 163 Ų | 163 | 115.6 Ų | 115.6 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | 80.1 | 136.6 | 175.3 | -63.6 | -150.3 | -149.3 | 0 | 0 | 117.5 | ||||
| 480 | N | 34 | Very low | 33.2 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | cis | -162.8 | 160.3 | -14.8 | -127.4 | -25.2 | 0 | 0 | 0 | 115 | ||||
| 481 | T | 33.8 | Very low | 33.2 | Very low | 106 Ų | 106 | 116 Ų | 116 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 70.1 | 118 | 139.5 | -56.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 482 | S | 35.6 | Very low | 33.1 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | 79.4 | 137.9 | 145.2 | 67.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 483 | V | 33 | Very low | 33.1 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | cis | 89 | 134.4 | 20.6 | 173.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 484 | P | 39.1 | Very low | 32.9 | Very low | 106 Ų | 106 | 119.9 Ų | 119.9 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | cis | -150.9 | -166.8 | -23.9 | 43.3 | -23.1 | 0 | 0 | 0 | 117 | ||||
| 485 | T | 30.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 123 Ų | 123 | 77% | 0.767 | 73% | 0.726 | S | S | * | * | trans | 86.6 | 128.8 | 136.8 | -68.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 486 | A | 33.7 | Very low | 32.9 | Very low | 100 Ų | 100 | 121 Ų | 121 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | 63.5 | 146.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 487 | G | 31.2 | Very low | 32.6 | Very low | 59 Ų | 59 | 121.7 Ų | 121.7 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | cis | 165.2 | 156 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 488 | D | 34.6 | Very low | 32.6 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 61.1 | 160.7 | 170.2 | -44.8 | -35.8 | 0 | 0 | 0 | 115.3 | ||||
| 489 | Q | 32 | Very low | 32.4 | Very low | 136 Ų | 136 | 122 Ų | 122 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -153.3 | 164 | -21.6 | -126.5 | 170 | -80 | 0 | 0 | 107.8 | ||||
| 490 | E | 31.7 | Very low | 32.3 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | 62.3 | 132.3 | 146.4 | -75.1 | 164.6 | -168.4 | 0 | 0 | 123.2 | ||||
| 491 | D | 32.5 | Very low | 32.1 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | 79.9 | 112.1 | 129 | -72.5 | 16 | 0 | 0 | 0 | 125 | |||||
| 492 | L | 30.5 | Very low | 32.1 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 81.1 | 131.5 | 121.5 | -65.8 | 172.6 | 0 | 0 | 0 | 122.1 | |||||
| 493 | N | 30.6 | Very low | 32.1 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | 80 | 112.7 | 137.9 | -89.2 | 6.1 | 0 | 0 | 0 | 122.7 | ||||
| 494 | T | 28.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | 63.5 | 133.9 | 125.9 | 60.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 495 | D | 29.6 | Very low | 32 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | 45.1 | 111.5 | 143.7 | -65.3 | -17.2 | 0 | 0 | 0 | 120.2 | ||||
| 496 | A | 33.5 | Very low | 32.3 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | -154.4 | 130.9 | 120.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 497 | T | 27.7 | Very low | 32.3 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | trans | -57.8 | 143.5 | 163.8 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 498 | G | 32.2 | Very low | 32.4 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | -165.7 | 91.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 499 | T | 29.5 | Very low | 32.6 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -83.6 | 143.1 | 171.6 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 500 | D | 34.3 | Very low | 32.6 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | -162.2 | 111.3 | 131.1 | -112.7 | -29.8 | 0 | 0 | 0 | 114.9 | ||||
| 501 | T | 31.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | 44.5 | 151.3 | 113 | -38.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 502 | A | 34.2 | Very low | 32.9 | Very low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 93.9 | 135.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 503 | H | 34.3 | Very low | 33.2 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | -165.4 | 166.8 | -12.8 | -132.3 | -84.6 | 0 | 0 | 0 | 112.1 | ||||
| 504 | N | 37.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 76.5 | 151.7 | 157.5 | -60.3 | -21 | 0 | 0 | 0 | 119.4 | ||||
| 505 | S | 33 | Very low | 33.8 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 57% | 0.573 | 77% | 0.765 | S | S | * | * | cis | -178.4 | 164.3 | -27.6 | -99.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 506 | D | 36.5 | Very low | 34.5 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 66.3 | 139.2 | 148.2 | -65.6 | -11.1 | 0 | 0 | 0 | 119.6 | ||||
| 507 | T | 34 | Very low | 34.2 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | cis | -150.1 | 160.6 | -6.3 | -77.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 508 | A | 33.3 | Very low | 34.2 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -87.1 | 169.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 509 | E | 38.9 | Very low | 34.3 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | -163.6 | 108.6 | 134.2 | -94.8 | -163.3 | 157.6 | 0 | 0 | 107.7 | ||||
| 510 | T | 31.7 | Very low | 34.2 | Very low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | 87.2 | 132.8 | 74.8 | 53.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 511 | G | 37.5 | Very low | 34 | Very low | 66 Ų | 66 | 124.1 Ų | 124.1 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | trans | 124.5 | 77.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 512 | T | 32.9 | Very low | 34 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | cis | 62.7 | 124.6 | 48.7 | -16.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 513 | L | 36.9 | Very low | 33.9 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | cis | -145.9 | -179.3 | 40.9 | -111.3 | 100 | 0 | 0 | 0 | 112.6 | ||||
| 514 | P | 36.7 | Very low | 34 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | trans | -138.7 | -161 | -136.3 | 47.3 | -29.1 | 0 | 0 | 0 | 117.9 | ||||
| 515 | E | 35.4 | Very low | 33.9 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -21.9 | 173.6 | 144.9 | -91.1 | -152.5 | 125.5 | 0 | 0 | 119.1 | ||||
| 516 | P | 42.8 | Very low | 34 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | cis | -142.9 | -148.6 | -32.9 | 40 | -19.2 | 0 | 0 | 0 | 112.4 | ||||
| 517 | A | 27.9 | Very low | 34 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 79.1 | 106 | 149.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 518 | G | 26.8 | Very low | 34.1 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | 61.6 | 117 | 110.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 519 | M | 34.7 | Very low | 34.5 | Very low | 183 Ų | 183 | 130 Ų | 130 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | trans | -163 | 114.7 | 145.6 | -100.9 | 166.9 | -130.3 | 0 | 0 | 107.5 | ||||
| 520 | Q | 28.3 | Very low | 34.3 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | 66.8 | 104.4 | 76.5 | -77.1 | -161.7 | -24.6 | 0 | 0 | 116.9 | |||||
| 521 | S | 28.7 | Very low | 34.4 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 64.8 | 132.7 | 136.6 | -52.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 522 | V | 32.1 | Very low | 34.3 | Very low | 120 Ų | 120 | 131 Ų | 131 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 174.2 | 119.8 | 100.9 | 158 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 523 | Q | 31.4 | Very low | 34.5 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | 22.1 | 131.7 | 141.4 | -46.7 | 167.9 | -11.1 | 0 | 0 | 121.6 | ||||
| 524 | Q | 37.6 | Very low | 34.3 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | -177 | 123.6 | 94.7 | -93.5 | 179.5 | 3.9 | 0 | 0 | 109.6 | |||||
| 525 | A | 35 | Very low | 34.6 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | 78.8 | 142.6 | 93.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 526 | T | 35.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | cis | -160.3 | 141.5 | 24.1 | -21.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 527 | T | 35.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | trans | 44.7 | 151.3 | 142.3 | 53.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 528 | E | 35.3 | Very low | 34.6 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | cis | -156.6 | 166.5 | 5 | -125.6 | 157.9 | 173 | 0 | 0 | 111.3 | ||||
| 529 | P | 43.1 | Very low | 34.9 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | trans | -118.8 | -151.5 | -169.8 | 43.9 | -30.8 | 0 | 0 | 0 | 113.7 | ||||
| 530 | T | 34.3 | Very low | 34.9 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 98.8 | 140.7 | 163.4 | -40.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 531 | A | 33.5 | Very low | 35.1 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | cis | -171.5 | -175.7 | -33.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 532 | E | 36.1 | Very low | 35.4 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | 69.5 | 152.9 | 156.8 | -67.7 | 178.9 | -178.9 | 0 | 0 | 118.9 | ||||
| 533 | D | 36 | Very low | 35.6 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 60% | 0.599 | 73% | 0.734 | S | S | * | * | cis | -166.6 | 149.8 | -25.3 | -178.5 | 34.7 | 0 | 0 | 0 | 111.2 | ||||
| 534 | K | 33.5 | Very low | 35.8 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 73% | 0.726 | 73% | 0.733 | S | S | * | * | trans | 61.3 | 155 | 162.1 | -86.9 | 163.5 | -159.1 | 69.4 | 0 | 123.5 | ||||
| 535 | P | 43.5 | Very low | 35.6 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | -105.2 | -174.4 | 176.3 | 43.5 | -35.8 | 0 | 0 | 0 | 112.9 | ||||
| 536 | H | 36.9 | Very low | 35.4 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | trans | -159.9 | 162.2 | 141.7 | -108.8 | -61.7 | 0 | 0 | 0 | 113.2 | ||||
| 537 | E | 33.1 | Very low | 35.4 | Very low | 140 Ų | 140 | 131 Ų | 131 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | trans | -86.2 | 163.8 | -175.4 | -43.2 | 110.1 | 114.1 | 0 | 0 | 114.3 | ||||
| 538 | N | 35.6 | Very low | 35.2 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | 149.6 | 155.5 | 125.3 | -81.6 | -59.9 | 0 | 0 | 0 | 112.8 | |||||
| 539 | V | 32.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | cis | -176.9 | 158 | -36.7 | 111.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 540 | V | 34.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | trans | 69 | 111.9 | 166.5 | 144.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 541 | S | 33.3 | Very low | 34.5 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | 87.6 | 153.9 | 71 | -70.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 542 | A | 35.1 | Very low | 34.4 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | cis | -173.6 | 171.6 | -19.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 543 | A | 35.9 | Very low | 34.2 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | trans | 69.5 | 158.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 544 | D | 36.3 | Very low | 33.9 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -162.2 | 161 | -15.6 | -133.1 | -35.5 | 0 | 0 | 0 | 110.8 | ||||
| 545 | T | 31.9 | Very low | 33.8 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 60.1 | 163.9 | 154.6 | 53.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 546 | R | 31.5 | Very low | 33.4 | Very low | 198 Ų | 198 | 127.2 Ų | 127.2 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | cis | 179.5 | 165 | -27.3 | -169.8 | -173.1 | 130.1 | 121.4 | 0 | 107.4 | ||||
| 547 | E | 35.5 | Very low | 33.1 | Very low | 136 Ų | 136 | 125 Ų | 125 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | 70.5 | 157.2 | 165.4 | -49.8 | -165.4 | 160.9 | 0 | 0 | 116.6 | ||||
| 548 | E | 31.3 | Very low | 33.1 | Very low | 154 Ų | 154 | 122 Ų | 122 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | cis | -162.7 | 177.7 | -37.9 | -117.3 | -173.2 | 173.6 | 0 | 0 | 109 | ||||
| 549 | N | 34.2 | Very low | 32.9 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 76.7 | 136.4 | 174.1 | -50.4 | -77.8 | 0 | 0 | 0 | 115.6 | ||||
| 550 | A | 30.2 | Very low | 32.8 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | cis | 108.1 | 155.1 | 18.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 551 | S | 34.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 67.3 | 133.5 | -163.6 | 67.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 552 | V | 30.9 | Very low | 32.4 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | cis | 108.6 | 143.5 | 15.3 | 172.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 553 | A | 32 | Very low | 32.1 | Very low | 76 Ų | 76 | 128 Ų | 128 | 63% | 0.628 | 77% | 0.766 | S | S | * | * | trans | 90.2 | 110.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 554 | T | 30.3 | Very low | 31.8 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | 84.3 | 116.1 | 104 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 555 | A | 31.2 | Very low | 31.5 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | 61.1 | 126.9 | 89.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 556 | D | 34.5 | Very low | 31.6 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | -153.3 | -170.4 | 59 | -152.6 | -4.2 | 0 | 0 | 0 | 115 | |||||
| 557 | T | 31.2 | Very low | 31.7 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | -57.2 | 153.8 | -176.9 | 56.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 558 | G | 32.4 | Very low | 31.7 | Very low | 78 Ų | 78 | 120.9 Ų | 120.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -172.7 | 112.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 559 | E | 30.7 | Very low | 32 | Very low | 189 Ų | 189 | 120.4 Ų | 120.4 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -52.2 | 163 | -172.8 | -67.2 | 167.1 | 135.8 | 0 | 0 | 120.6 | ||||
| 560 | E | 30 | Very low | 31.9 | Very low | 165 Ų | 165 | 120.6 Ų | 120.6 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | trans | 64.9 | 122.2 | 146.1 | -73.8 | -139.6 | 141.8 | 0 | 0 | 124.4 | ||||
| 561 | N | 29.7 | Very low | 31.9 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 75.3 | 156.8 | 132 | -73.5 | -40.8 | 0 | 0 | 0 | 123.4 | ||||
| 562 | A | 30.9 | Very low | 31.9 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | 73.6 | 103.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 563 | S | 28.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 16 | 154.1 | 130.2 | -57.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 564 | A | 29.6 | Very low | 31.7 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 76.6 | 151.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 565 | T | 30.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | cis | -161.3 | 140.5 | -13.7 | -105.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 566 | T | 32.3 | Very low | 31.6 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 24.8 | 158.2 | 142 | -40.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 567 | A | 34.4 | Very low | 31.3 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | 115.2 | 134.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 568 | D | 34.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 58% | 0.583 | 78% | 0.782 | S | S | * | * | cis | -158.4 | -170.4 | -8.8 | -133.2 | -52.9 | 0 | 0 | 0 | 113.2 | Q570 | D568-Q570 WeakPolarHBondContact OD1-CG 3.32Å; D568-Q570 PolarHBondContact OD1-NE2 3.46Å | ||
| 569 | N | 37.8 | Very low | 31.4 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | 81.1 | 90.6 | 179.9 | -53.8 | -25.5 | 0 | 0 | 0 | 112.8 | ||||
| 570 | Q | 33.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | 61 | 107.5 | 57.3 | -49.2 | -174.7 | 33.1 | 0 | 0 | 111.3 | D568 | D568-Q570 WeakPolarHBondContact OD1-CG 3.32Å; D568-Q570 PolarHBondContact OD1-NE2 3.46Å | |||
| 571 | S | 30 | Very low | 31.3 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | 89.6 | 136.6 | 89.3 | -157.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 572 | T | 33.4 | Very low | 31.7 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -134 | 161.2 | 34.2 | 50.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 573 | Q | 28.9 | Very low | 31.7 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -72.2 | 146.6 | 154.7 | -67 | 169.8 | -56.5 | 0 | 0 | 109.8 | ||||
| 574 | A | 31.1 | Very low | 32.4 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -148.9 | 129.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 575 | E | 27.3 | Very low | 32.5 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -78.7 | 146.4 | 167.8 | -58 | 171.6 | 113.5 | 0 | 0 | 108.8 | ||||
| 576 | E | 31.7 | Very low | 32.4 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -144.1 | 140.7 | 151.4 | -137.1 | 169.1 | -143.4 | 0 | 0 | 110.7 | ||||
| 577 | H | 28.5 | Very low | 32.3 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | -107.7 | 156.1 | -166.6 | -124.2 | 44.9 | 0 | 0 | 0 | 111.2 | ||||
| 578 | P | 38.1 | Very low | 32.1 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -85.2 | 145.8 | -164.4 | 33.1 | -36 | 0 | 0 | 0 | 114.2 | ||||
| 579 | R | 26.5 | Very low | 32 | Very low | 233 Ų | 233 | 144.7 Ų | 144.7 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -163.5 | 137.3 | 149.9 | -121.5 | 178.1 | 179.4 | 99.7 | 1 | 114.1 | ||||
| 580 | S | 29.9 | Very low | 31.7 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | 27.3 | 139.5 | 142.3 | 63.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 581 | K | 28.6 | Very low | 31.5 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | -172.6 | 179.9 | 46.1 | -147 | 170.3 | -172.3 | -177.4 | 0 | 112.8 | ||||
| 582 | D | 37.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | 107.8 | 95.6 | 155.8 | -57.8 | -13.4 | 0 | 0 | 0 | 119.4 | ||||
| 583 | T | 31.8 | Very low | 31.5 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -101 | -179.8 | 148.6 | 29.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 584 | P | 43.1 | Very low | 31.7 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | cis | -115.3 | -154.1 | -16.3 | 20.1 | 6.4 | 0 | 0 | 0 | 109.6 | ||||
| 585 | E | 32.1 | Very low | 31.8 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | cis | -163.7 | 142.3 | 34 | -83.7 | -165.8 | 177.5 | 0 | 0 | 108.8 | ||||
| 586 | T | 28.8 | Very low | 32.2 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | 83.8 | 144 | 85.5 | -38.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 587 | S | 31.2 | Very low | 32.3 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | 88.9 | 93.1 | 159.4 | -58 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 588 | L | 30 | Very low | 32.3 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | 55.7 | 136.3 | 112.4 | -71.1 | 168.3 | 0 | 0 | 0 | 125.1 | |||||
| 589 | S | 31.1 | Very low | 31.9 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | 72.7 | 110.1 | 134.2 | 66.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 590 | D | 31.4 | Very low | 32.2 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | 81.5 | 154.7 | 117.5 | -65.5 | -35.8 | 0 | 0 | 0 | 125.7 | |||||
| 591 | A | 30.9 | Very low | 32.5 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | 87.9 | 93.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 592 | A | 30.3 | Very low | 32.6 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | 52.1 | 123.3 | 127 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 593 | G | 33.2 | Very low | 32.4 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -154.2 | 72.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 594 | T | 32.2 | Very low | 32.2 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -81.5 | 141.1 | -166.2 | -35.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 595 | Q | 33.3 | Very low | 31.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | 144.6 | 135.6 | 125.5 | -81.6 | -169 | -11.1 | 0 | 0 | 117.7 | |||||
| 596 | H | 36.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 68.2 | 144.2 | 145.5 | -64.2 | -33.2 | 0 | 0 | 0 | 120 | ||||
| 597 | T | 33.1 | Very low | 31.2 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | cis | -160.1 | 132.9 | 4.2 | 13.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 598 | T | 29.1 | Very low | 31.1 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | 72.6 | 107 | 126 | -55 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 599 | T | 29.3 | Very low | 31 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | 75.8 | 136.2 | 136.2 | -52.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 600 | T | 33.2 | Very low | 30.8 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | cis | -157 | 150.6 | 42.1 | -30.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 601 | Q | 35.2 | Very low | 30.5 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 33.1 | 125 | 155.3 | -70.2 | 159 | -20.4 | 0 | 0 | 120.6 | ||||
| 602 | S | 31.2 | Very low | 30.5 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | 95.1 | 93 | 27.5 | 81.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 603 | E | 33.1 | Very low | 30.6 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -160 | 163.6 | 138.4 | -117.8 | 169.4 | -150 | 0 | 0 | 108.8 | ||||
| 604 | E | 27.8 | Very low | 30.6 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -86.6 | 131.2 | -146.8 | -62.9 | 173.5 | 116.3 | 0 | 0 | 116.4 | ||||
| 605 | Q | 27.8 | Very low | 30.8 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -135.5 | 113.2 | 157.3 | -74.5 | -167.4 | -15.3 | 0 | 0 | 109.7 | Q607 | Q605-Q607 PolarHBondContact O-N 2.86Š| ||
| 606 | V | 30.7 | Very low | 30.8 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -79 | 90.2 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | V608 | V606-V608 HydrophobicContact CG1-CG2 4.03Å; V606-V608 PolarHBondContact O-N 3.25Å | ||
| 607 | Q | 25 | Very low | 30.7 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -73.7 | 101.5 | 165 | -69.7 | -171.9 | -64.2 | 0 | 0 | 109.9 | Q605 S609 | Q605-Q607 PolarHBondContact O-N 2.86Å; Q607-S609 PolarHBondContact O-N 3.16Å | ||
| 608 | V | 29.5 | Very low | 30.7 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -81.3 | 112.7 | 163.4 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | V606 | V606-V608 HydrophobicContact CG1-CG2 4.03Å; V606-V608 PolarHBondContact O-N 3.25Å | ||
| 609 | S | 27.8 | Very low | 30.8 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -67.1 | 144 | 176.6 | -70.1 | 0 | 0 | 0 | 0 | 112 | Q607 A611 | Q607-S609 PolarHBondContact O-N 3.16Å; S609-A611 PolarHBondContact O-N 2.79Å | ||
| 610 | M | 26 | Very low | 31 | Very low | 195 Ų | 195 | 133.2 Ų | 133.2 | 96% | 0.961 | 75% | 0.752 | S | S | * | * | trans | -70.8 | 122.2 | -179.3 | -67.4 | 177.2 | -78.8 | 0 | 0 | 111.9 | ||||
| 611 | A | 26.6 | Very low | 31.1 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | -115.5 | 146.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S609 | S609-A611 PolarHBondContact O-N 2.79Š| ||
| 612 | S | 29.7 | Very low | 31 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | trans | -79.5 | 141.1 | -169.7 | 45.6 | 0 | 0 | 0 | 0 | 113.9 | D614 | S612-D614 PolarHBondContact O-N 2.82Š| ||
| 613 | A | 31.5 | Very low | 30.9 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 38.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 614 | D | 35 | Very low | 30.8 | Very low | 85 Ų | 85 | 130.3 Ų | 130.3 | 46% | 0.455 | 73% | 0.73 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97 | -16.1 | -174.3 | -86 | 5.5 | 0 | 0 | 0 | 114.3 | R4 S612 | R4-D614 IonicContact NH2-OD2 3.96Å; R4-D614 PolarHBondContact NH2-OD2 3.22Å; R4-D614 VanDerWaalsContact NH2-OD2 3.16Å; S612-D614 PolarHBondContact O-N 2.82Å |
| 615 | D | 34.8 | Very low | 30.9 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -91.6 | -13.1 | -165.1 | -86.6 | -37.3 | 0 | 0 | 0 | 116.8 | S617 | D615-S617 VanDerWaalsContact C-N 3.35Å; D615-S617 PolarHBondContact O-N 2.91Å |
| 616 | W | 33.2 | Very low | 31.1 | Very low | 209 Ų | 209 | 123.6 Ų | 123.6 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -3.1 | -163.6 | -82.1 | 97.7 | 0 | 0 | 0 | 116.9 | F619 | W616-F619 HydrophobicContact CE3-CB 4.21Å; W616-F619 HydrophobicContact CZ3-CB 4.24Å |
| 617 | S | 35.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -5.9 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 114.6 | D615 | D615-S617 VanDerWaalsContact C-N 3.35Å; D615-S617 PolarHBondContact O-N 2.91Å |
| 618 | A | 33.9 | Very low | 31.4 | Very low | 72 Ų | 72 | 121.6 Ų | 121.6 | 60% | 0.595 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -112.5 | 2.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 619 | F | 30.6 | Very low | 31.3 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 61% | 0.605 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -107.7 | -8.5 | -173.2 | -119.2 | -83.6 | 0 | 0 | 0 | 114.5 | W616 | W616-F619 HydrophobicContact CE3-CB 4.21Å; W616-F619 HydrophobicContact CZ3-CB 4.24Å |
| 620 | A | 33.1 | Very low | 31.4 | Very low | 85 Ų | 85 | 118.4 Ų | 118.4 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -90.1 | -22.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 621 | E | 36.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -90.6 | -6.2 | -174.8 | -65.9 | 177.6 | 163.9 | 0 | 0 | 114 | ||
| 622 | D | 31.4 | Very low | 32.2 | Very low | 55 Ų | 55 | 117.1 Ų | 117.1 | 29% | 0.294 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -116.7 | 21.9 | -170 | -101.2 | -22.1 | 0 | 0 | 0 | 112.7 | R29 R44 | R29-D622 IonicContact CZ-OD1 2.72Å; R29-D622 IonicContact CZ-OD2 2.69Å; R29-D622 IonicContact NE-OD1 2.86Å; R29-D622 VanDerWaalsContact NH1-CB 3.34Å; R29-D622 IonicContact NH1-OD1 3.64Å; R29-D622 PolarHBondContact NH1-OD1 2.96Å; R29-D622 IonicContact NH1-OD2 2.69Å; R29-D622 PolarHBondContact NH1-OD2 2.82Å; R29-D622 IonicContact NH2-OD1 3.4Å; R44-D622 IonicContact CZ-OD2 2.88Å; R44-D622 IonicContact NH1-OD1 3.55Å; R44-D622 IonicContact NH1-OD2 3.1Å; R44-D622 PolarHBondContact NH1-OD2 3.03Å; R44-D622 IonicContact NH2-OD1 3.6Å; R44-D622 IonicContact NH2-OD2 2.72Å |
| 623 | L | 30.7 | Very low | 32.1 | Very low | 137 Ų | 137 | 118 Ų | 118 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -115.6 | -10.8 | -178 | -95.5 | 168.5 | 0 | 0 | 0 | 116 | ||
| 624 | N | 30.5 | Very low | 32.2 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 91% | 0.914 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -108.7 | 29.1 | 179.8 | -82 | -4.1 | 0 | 0 | 0 | 113.4 | ||
| 625 | A | 28.5 | Very low | 32.1 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | trans | -157.2 | 79.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 626 | D | 32.5 | Very low | 31.8 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -168.5 | 121.5 | 150.8 | -101.4 | -39.8 | 0 | 0 | 0 | 110.8 | R29 | R29-D626 IonicContact NH2-OD2 3.39Š| ||
| 627 | T | 31.7 | Very low | 31.8 | Very low | 141 Ų | 141 | 118.3 Ų | 118.3 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | trans | -110.6 | 128.8 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 628 | P | 31.3 | Very low | 31.6 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | trans | -128 | 120.6 | 157.5 | 33.2 | -18.8 | 0 | 0 | 0 | 111.9 | ||||
| 629 | G | 28 | Very low | 31.6 | Very low | 77 Ų | 77 | 120 Ų | 120 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | -100.8 | 136.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 630 | A | 28.2 | Very low | 31.8 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -169.1 | 138 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 631 | P | 35.1 | Very low | 31.8 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | -126.2 | 135.2 | 139.8 | 34.9 | -26.6 | 0 | 0 | 0 | 111.7 | ||||
| 632 | T | 34 | Very low | 31.7 | Very low | 140 Ų | 140 | 121 Ų | 121 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | trans | -84.5 | 149.3 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 633 | V | 29.5 | Very low | 31.7 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | -79.5 | 169.9 | -174.5 | -179.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 634 | H | 32.4 | Very low | 31.8 | Very low | 163 Ų | 163 | 123 Ų | 123 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 100.9 | 138.3 | 171.6 | -63.1 | -83.5 | 0 | 0 | 0 | 115 | ||||
| 635 | N | 33.2 | Very low | 32.1 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -156.9 | 152 | 18.5 | -137.9 | 13 | 0 | 0 | 0 | 113.9 | ||||
| 636 | T | 28.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | trans | 58.4 | 146.1 | 149.3 | 53 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 637 | D | 32.8 | Very low | 32.9 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | cis | -163.7 | 152.4 | 7.4 | -130.5 | 10.7 | 0 | 0 | 0 | 112.5 | ||||
| 638 | N | 31.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 61.7 | 157.9 | 158.3 | -62 | -52.1 | 0 | 0 | 0 | 119.2 | ||||
| 639 | A | 32.9 | Very low | 33.1 | Very low | 83 Ų | 83 | 119.5 Ų | 119.5 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | cis | -173.9 | 167.4 | -25.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 640 | E | 35.8 | Very low | 33.3 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | cis | -160.3 | 163.3 | 0.3 | -143.8 | -165.6 | 130.3 | 0 | 0 | 109.6 | ||||
| 641 | T | 32.6 | Very low | 33.4 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 64% | 0.638 | 75% | 0.75 | S | S | * | * | trans | 65.7 | 156.8 | 158 | 65.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 642 | N | 34.1 | Very low | 33.3 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | cis | -155.6 | 125.7 | -9.3 | -117.3 | -7.9 | 0 | 0 | 0 | 115 | ||||
| 643 | T | 31.2 | Very low | 33 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | 57.1 | 123.7 | 127.6 | 60.1 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 644 | V | 33.9 | Very low | 33 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | 82.5 | 109.6 | 121.3 | 172.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 645 | S | 36.1 | Very low | 32.8 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | 171.8 | 98 | 114.3 | -71.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 646 | E | 37.1 | Very low | 32.7 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | 49.6 | 162.9 | 125.2 | -91.9 | -147.4 | 124.6 | 0 | 0 | 124.9 | |||||
| 647 | P | 41 | Very low | 32.6 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | -138.3 | -179.4 | -121.8 | 45.8 | -28.6 | 0 | 0 | 0 | 117.4 | |||||
| 648 | A | 36.2 | Very low | 32.4 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | trans | 179.6 | 155.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 649 | G | 32.1 | Very low | 32.3 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 123.6 | 26.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 650 | M | 31.8 | Very low | 32.2 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | trans | 61.9 | 123 | 157.8 | -94.2 | 60.2 | -178.9 | 0 | 0 | 121.8 | ||||
| 651 | R | 30.3 | Very low | 31.9 | Very low | 227 Ų | 227 | 134.2 Ų | 134.2 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | 77.5 | 114.3 | 155.1 | -60.9 | 179.6 | 174.5 | -179.1 | -2.9 | 118.2 | ||||
| 652 | P | 31.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -82.1 | 150.5 | 175.4 | 35.2 | -35.1 | 0 | 0 | 0 | 112 | ||||
| 653 | V | 28.8 | Very low | 31.7 | Very low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | cis | 87.1 | 134.9 | 14.6 | -170 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 654 | Q | 29.9 | Very low | 31.8 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -82.2 | 148.5 | -177.9 | -56.3 | 141 | -63.3 | 0 | 0 | 112.6 | ||||
| 655 | Q | 28 | Very low | 31.6 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -166.2 | 134.7 | 151.4 | -106.3 | 155.1 | -8.2 | 0 | 0 | 107.5 | ||||
| 656 | V | 30.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 66% | 0.655 | 76% | 0.76 | S | S | * | * | cis | 79 | 106.7 | 24.1 | -169.4 | 0 | 0 | 0 | 0 | 114.3 | T658 | V656-T658 HydrophobicContact CG1-CG2 4.01Š| ||
| 657 | T | 25.8 | Very low | 31.2 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | trans | -152.8 | 112.2 | 171.6 | -51.9 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 658 | T | 28.6 | Very low | 30.7 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 57% | 0.571 | 72% | 0.722 | S | S | * | * | cis | 56.4 | 125.5 | 13.9 | 59.7 | 0 | 0 | 0 | 0 | 114.5 | V656 | V656-T658 HydrophobicContact CG1-CG2 4.01Š| ||
| 659 | E | 29.3 | Very low | 30.7 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | cis | -169 | 155.1 | 1 | -136.3 | 174.8 | -178.1 | 0 | 0 | 109.5 | T661 | E659-T661 HydrophobicContact CB-CG2 4.3Å; E659-T661 HydrophobicContact CG-CG2 4.39Å | ||
| 660 | L | 31.2 | Very low | 30.7 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | -150 | 109.6 | 151.7 | -72.8 | -179.3 | 0 | 0 | 0 | 106 | ||||
| 661 | T | 28.8 | Very low | 30.7 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 61% | 0.613 | 70% | 0.703 | S | S | * | * | cis | 64.3 | 131.6 | 49.8 | 81.6 | 0 | 0 | 0 | 0 | 113 | E659 | E659-T661 HydrophobicContact CB-CG2 4.3Å; E659-T661 HydrophobicContact CG-CG2 4.39Å | ||
| 662 | A | 32.2 | Very low | 30.7 | Very low | 68 Ų | 68 | 125 Ų | 125 | 56% | 0.562 | 70% | 0.697 | S | S | * | * | cis | -158.4 | 167.3 | 12.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 663 | E | 30.1 | Very low | 30.7 | Very low | 181 Ų | 181 | 124.5 Ų | 124.5 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | trans | 68.5 | 145.1 | 138.8 | -77.1 | 154.1 | -158.4 | 0 | 0 | 121 | ||||
| 664 | D | 34 | Very low | 30.9 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | cis | -155 | -171.4 | -4.6 | -151.7 | -10.9 | 0 | 0 | 0 | 113.5 | ||||
| 665 | K | 29.5 | Very low | 31.1 | Very low | 179 Ų | 179 | 117.6 Ų | 117.6 | 78% | 0.778 | 68% | 0.682 | S | S | * | * | trans | -87.5 | -169.2 | -170.5 | -57.2 | 159.4 | -179.5 | 169 | 0 | 114.1 | ||||
| 666 | A | 32.8 | Very low | 31.4 | Very low | 72 Ų | 72 | 114.1 Ų | 114.1 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | cis | -167.4 | 138.2 | 19.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 667 | Q | 32.2 | Very low | 31.6 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 35% | 0.346 | 67% | 0.673 | S | S | . | * | 59.4 | 110.5 | 127.5 | -65.2 | 162 | -94 | 0 | 0 | 126.3 | A752 N753 E754 | Q667-A752 CarbonylContact O-C 3.42Å; Q667-A752 WeakPolarHBondContact O-CA 3.17Å; Q667-A752 PolarHBondContact O-N 2.82Å; Q667-N753 PolarHBondContact NE2-OD1 2.7Å; Q667-E754 VanDerWaalsContact NE2-CA 3.34Å; Q667-E754 VanDerWaalsContact NE2-CB 3.31Å; Q667-E754 VanDerWaalsContact NE2-N 3.13Å | |||
| 668 | E | 31.5 | Very low | 32 | Very low | 98 Ų | 98 | 112.3 Ų | 112.3 | 46% | 0.458 | 67% | 0.669 | S | S | . | * | 80.1 | 158.7 | 102.8 | -118 | -96.1 | -73.9 | 0 | 0 | 127.8 | A755 | E668-A755 PolarHBondContact OE1-N 3.15Š| |||
| 669 | K | 36.1 | Very low | 32.4 | Very low | 128 Ų | 128 | 112.9 Ų | 112.9 | 56% | 0.557 | 68% | 0.683 | S | S | * | * | trans | 78.9 | 146.4 | 168.8 | -67 | -168.1 | 159.5 | 53.3 | 0 | 120.7 | N753 E754 | K669-N753 PolarHBondContact NZ-O 2.85Å; K669-E754 PolarHBondContact NZ-O 3.29Å; K669-E754 VanDerWaalsContact NZ-O 3.09Å | ||
| 670 | S | 31 | Very low | 32.7 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | cis | 178.7 | 172.4 | -19.8 | 69.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 671 | V | 32 | Very low | 33 | Very low | 134 Ų | 134 | 116 Ų | 116 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | cis | -170.5 | 167.7 | -3.2 | 102.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 672 | A | 31.4 | Very low | 33.2 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | 70.1 | 155.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 673 | S | 30.1 | Very low | 33.4 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | cis | 174 | 163.6 | -19.7 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 674 | A | 34.3 | Very low | 33.4 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | cis | -177.4 | 158.2 | -27.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 675 | A | 33.9 | Very low | 33.4 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 55% | 0.554 | 72% | 0.716 | S | S | * | * | trans | 64.7 | 162.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 122 | S782 | A675-S782 VanDerWaalsContact CB-C 3.46Å; A675-S782 WeakPolarHBondContact CB-O 3.49Å | ||
| 676 | E | 34.5 | Very low | 33.5 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 51% | 0.514 | 72% | 0.717 | S | S | . | * | cis | -150.5 | -157 | -1.4 | -141.8 | 179.3 | -169.2 | 0 | 0 | 115.3 | S782 V783 | E676-S782 VanDerWaalsContact CD-N 3.31Å; E676-S782 WeakPolarHBondContact OE1-CA 3.41Å; E676-S782 PolarHBondContact OE1-N 3.21Å; E676-S782 WeakPolarHBondContact OE2-CA 3.48Å; E676-V783 PolarHBondContact OE2-N 3.44Å; E676-V783 VanDerWaalsContact OE2-N 3.14Å | ||
| 677 | T | 33.8 | Very low | 33.6 | Very low | 133 Ų | 133 | 121 Ų | 121 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | -102.3 | -178.7 | -158.6 | 50.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 678 | G | 35.9 | Very low | 33.6 | Very low | 72 Ų | 72 | 121.9 Ų | 121.9 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | cis | 166.8 | -170.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 679 | A | 36.5 | Very low | 33.8 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | 84.4 | 112.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 680 | E | 34.9 | Very low | 33.6 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | 21.7 | 150.6 | 137.9 | -63.1 | 178 | -165.7 | 0 | 0 | 127.6 | ||||
| 681 | H | 38.1 | Very low | 33.8 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | -163.4 | 162.1 | 140.7 | -120.9 | -81.5 | 0 | 0 | 0 | 113 | ||||
| 682 | S | 32.6 | Very low | 33.8 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -136.4 | 164.1 | -177.7 | -175.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 683 | S | 36.6 | Very low | 34 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -165.8 | 137.4 | 171.4 | 62.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 684 | D | 30.2 | Very low | 33.9 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -79.5 | 163.1 | 179 | -57.8 | -79.9 | 0 | 0 | 0 | 116.7 | ||||
| 685 | I | 34 | Very low | 33.8 | Very low | 173 Ų | 173 | 133 Ų | 133 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -141.4 | 127.1 | 148.3 | -59.1 | -175.5 | 0 | 0 | 0 | 109.9 | ||||
| 686 | T | 30.5 | Very low | 33.6 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -103 | 150.4 | 169.6 | 52.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 687 | D | 35.8 | Very low | 33.5 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -149.1 | 155.6 | 150.4 | -150.6 | -9.4 | 0 | 0 | 0 | 111.4 | ||||
| 688 | D | 33 | Very low | 33.2 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 49% | 0.492 | 79% | 0.787 | S | S | . | * | trans | -120.1 | 129.9 | -164.9 | 163.8 | 32.1 | 0 | 0 | 0 | 111.9 | R690 | D688-R690 IonicContact OD1-CZ 2.64Å; D688-R690 IonicContact OD1-NH1 3.41Å; D688-R690 PolarHBondContact OD1-NH1 3.16Å; D688-R690 IonicContact OD1-NH2 2.79Å; D688-R690 IonicContact OD2-CZ 2.7Å; D688-R690 IonicContact OD2-NH1 3.35Å; D688-R690 PolarHBondContact OD2-NH1 3.24Å; D688-R690 IonicContact OD2-NH2 2.62Å; D688-R690 PolarHBondContact OD2-NH2 3.16Å | ||
| 689 | N | 35.7 | Very low | 32.9 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -151.6 | 151.9 | 158.1 | -142.7 | -19.1 | 0 | 0 | 0 | 115 | ||||
| 690 | R | 31.8 | Very low | 32.5 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | trans | -114.2 | 132.2 | -165.6 | -58.8 | 163 | -179.5 | 65.6 | 13.8 | 111.6 | D688 | D688-R690 IonicContact OD1-CZ 2.64Å; D688-R690 IonicContact OD1-NH1 3.41Å; D688-R690 PolarHBondContact OD1-NH1 3.16Å; D688-R690 IonicContact OD1-NH2 2.79Å; D688-R690 IonicContact OD2-CZ 2.7Å; D688-R690 IonicContact OD2-NH1 3.35Å; D688-R690 PolarHBondContact OD2-NH1 3.24Å; D688-R690 IonicContact OD2-NH2 2.62Å; D688-R690 PolarHBondContact OD2-NH2 3.16Å | ||
| 691 | N | 34.2 | Very low | 32.4 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | -172.2 | 163.2 | 122.2 | -106.3 | -12.9 | 0 | 0 | 0 | 112.7 | |||||
| 692 | A | 32.7 | Very low | 31.9 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -120.8 | -168.3 | -174 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 693 | P | 36 | Very low | 31.9 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | -134.2 | -154.8 | -109.5 | 40.1 | -18.5 | 0 | 0 | 0 | 113.9 | |||||
| 694 | A | 27.7 | Very low | 31.5 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | 104.4 | 154 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 695 | E | 31.2 | Very low | 31.6 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 66.9 | 147.7 | 168.9 | -57.9 | 177.2 | 178.4 | 0 | 0 | 116.5 | ||||
| 696 | E | 29.7 | Very low | 31.5 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | cis | -159.7 | 162.1 | -18.3 | -117.7 | -163.3 | 155.5 | 0 | 0 | 110.6 | ||||
| 697 | L | 31.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 64% | 0.644 | 78% | 0.779 | S | S | * | * | trans | 39.6 | 118.5 | 145.9 | -58.5 | 172.3 | 0 | 0 | 0 | 123 | ||||
| 698 | N | 29.1 | Very low | 31.3 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | 63.7 | 140.7 | 125.8 | -70.1 | -22.5 | 0 | 0 | 0 | 125 | |||||
| 699 | A | 28.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 93.3 | 143.3 | 135.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 700 | D | 28.9 | Very low | 31.1 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -49.5 | 148.1 | 175.7 | -72.3 | -69.1 | 0 | 0 | 0 | 116.6 | ||||
| 701 | A | 32.7 | Very low | 31.2 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -153.7 | 98.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 702 | T | 27.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -71.5 | 127 | 168.8 | -41.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 703 | V | 32 | Very low | 31.2 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -135.2 | 120.4 | 165.6 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 704 | A | 28.4 | Very low | 31.2 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -96.1 | 145.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 705 | V | 32.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -133.3 | 123.7 | 165.5 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 706 | H | 30.4 | Very low | 32 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -70.2 | 152.8 | 173.6 | -69 | -99.7 | 0 | 0 | 0 | 111.4 | ||||
| 707 | N | 33.9 | Very low | 32.3 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -147.6 | 144.9 | 136.5 | -115.2 | -25.9 | 0 | 0 | 0 | 111.4 | ||||
| 708 | T | 29 | Very low | 32.5 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -108.6 | 145.1 | -174.4 | 44.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 709 | G | 34.6 | Very low | 33.1 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | -152.8 | 122.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 710 | T | 29.7 | Very low | 33.4 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -123.3 | 166.9 | -169.4 | -44 | 0 | 0 | 0 | 0 | 110 | ||||
| 711 | T | 33.9 | Very low | 33.4 | Very low | 122 Ų | 122 | 127 Ų | 127 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 76.2 | 148.2 | 173.1 | 82 | 0 | 0 | 0 | 0 | 115 | ||||
| 712 | E | 35.1 | Very low | 33.4 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | cis | -165.9 | 167.6 | -13.7 | -119.4 | -162.7 | -76.2 | 0 | 0 | 109.1 | ||||
| 713 | T | 32.4 | Very low | 33.5 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | cis | -162.7 | -175.1 | -1.2 | -158.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 714 | A | 35.2 | Very low | 33.7 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 70.2 | 114.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 715 | S | 33.3 | Very low | 33.9 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -93.6 | -158.9 | 158.1 | -17.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 716 | P | 42.2 | Very low | 33.6 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | cis | -130 | -176 | -39.8 | 37.5 | -22.1 | 0 | 0 | 0 | 111.8 | ||||
| 717 | S | 37.6 | Very low | 33.5 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -171.3 | 126.4 | 132.8 | -126.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 718 | E | 35.1 | Very low | 33.4 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -104.4 | -169 | 166.9 | -124.2 | -171.6 | 154.3 | 0 | 0 | 108.6 | ||||
| 719 | P | 41 | Very low | 33.2 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | cis | -132.3 | -176.1 | -25.5 | 37.8 | -21.6 | 0 | 0 | 0 | 112.5 | ||||
| 720 | A | 35.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -166 | 117.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 721 | E | 29 | Very low | 33.2 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -87.2 | 146.1 | 169.1 | -59.4 | 168.4 | 93.5 | 0 | 0 | 111.5 | ||||
| 722 | T | 33.8 | Very low | 33.3 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -156 | 117.7 | 139.8 | -28.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 723 | Q | 28.9 | Very low | 32.9 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -107.9 | -177.6 | 159.1 | -58.8 | -174 | 7.3 | 0 | 0 | 108.7 | ||||
| 724 | P | 35.5 | Very low | 32.8 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | -120.7 | -165.1 | -37.1 | 23.5 | -1.5 | 0 | 0 | 0 | 109.4 | ||||
| 725 | V | 32.5 | Very low | 32.4 | Very low | 143 Ų | 143 | 138 Ų | 138 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | 174.4 | 165.2 | 132.3 | 149.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 726 | R | 27.8 | Very low | 32.5 | Very low | 209 Ų | 209 | 140.1 Ų | 140.1 | 79% | 0.789 | 81% | 0.807 | S | S | * | * | trans | -98.1 | 167.4 | -166.2 | -51.2 | 170.2 | 178 | 157.2 | -3.2 | 114.1 | ||||
| 727 | Q | 27.8 | Very low | 31.8 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 57.1 | 124 | 145.9 | -72.6 | 162.7 | -76.5 | 0 | 0 | 119.9 | ||||
| 728 | A | 31.3 | Very low | 31.5 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | -178.3 | 152 | 106.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 729 | T | 25.7 | Very low | 31.1 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -90.1 | 146.9 | 176.9 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 730 | A | 31.5 | Very low | 30.5 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -162.9 | 130.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 731 | E | 31.3 | Very low | 30.2 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -77.2 | 166.6 | 157.6 | -52.9 | 176.9 | 115.6 | 0 | 0 | 109.6 | ||||
| 732 | P | 37.7 | Very low | 30 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | -146.2 | 140.7 | 82.9 | 37.1 | -19.4 | 0 | 0 | 0 | 116.8 | |||||
| 733 | T | 25.9 | Very low | 29.9 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | 3.4 | 149.6 | 125.3 | -30.2 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 734 | A | 29.5 | Very low | 29.9 | Very low | 79 Ų | 79 | 144 Ų | 144 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | trans | 101.6 | 115.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 735 | E | 27.7 | Very low | 29.5 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | 45.6 | 114.3 | 129.8 | -54.5 | -173.6 | 138.1 | 0 | 0 | 120.6 | |||||
| 736 | D | 34.7 | Very low | 29.4 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | -142.7 | 166.1 | 112.5 | -149.3 | -14.8 | 0 | 0 | 0 | 110.8 | |||||
| 737 | K | 28.2 | Very low | 29.4 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 74% | 0.735 | 76% | 0.764 | S | S | * | * | trans | -112.5 | -164.7 | -174.4 | -74.7 | -177.5 | 173.7 | 177.3 | 0 | 111.5 | ||||
| 738 | L | 32 | Very low | 29.4 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 81.5 | 97.6 | 169.3 | -47.5 | -178.9 | 0 | 0 | 0 | 112.7 | ||||
| 739 | Q | 25.5 | Very low | 29.3 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | 73.3 | 141 | 38.2 | -153 | -175.5 | -18.5 | 0 | 0 | 112.8 | ||||
| 740 | E | 29 | Very low | 29.5 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | 74.1 | 142.2 | 177.3 | -52.4 | -170.5 | 166.7 | 0 | 0 | 115.6 | ||||
| 741 | E | 28.7 | Very low | 29.4 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | cis | -157.1 | 142.4 | -11.7 | -123.8 | -156.8 | 173.5 | 0 | 0 | 112.5 | ||||
| 742 | R | 25.9 | Very low | 29.5 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | 58.2 | 113.8 | 125 | -172.2 | -175.1 | -166.6 | 164.7 | 8 | 122.3 | V744 | R742-V744 HydrophobicContact CG-CG2 3.78Š| |||
| 743 | L | 30.2 | Very low | 29.1 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | trans | -155.4 | 96.2 | 142.7 | -99.6 | 156.9 | 0 | 0 | 0 | 106.4 | ||||
| 744 | V | 29.8 | Very low | 29.2 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 60% | 0.6 | 70% | 0.703 | S | S | * | * | 58.7 | 92.1 | 77.1 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | R742 | R742-V744 HydrophobicContact CG-CG2 3.78Š| |||
| 745 | S | 25.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | 74.5 | 101.4 | 62.2 | -54.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 746 | A | 30.7 | Very low | 29.1 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | trans | -177.4 | 152.2 | 150 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 747 | T | 27.5 | Very low | 28.7 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | cis | -174 | 132.3 | -19.8 | -90.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 748 | E | 28.7 | Very low | 28.8 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | 63.8 | 155.3 | 159.1 | -70.5 | 158.2 | -149.5 | 0 | 0 | 119 | ||||
| 749 | T | 29 | Very low | 28.6 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | cis | -155.9 | 147.1 | 0.4 | 0.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 750 | S | 29.7 | Very low | 28.8 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | 38.5 | 147.9 | 129.1 | -93.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 751 | T | 30.4 | Very low | 29 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | cis | -170.5 | 149 | -0 | 1.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 752 | A | 32.4 | Very low | 29.6 | Very low | 50 Ų | 50 | 115.7 Ų | 115.7 | 41% | 0.413 | 67% | 0.672 | S | S | . | * | trans | 57.7 | 147.5 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | Q667 | Q667-A752 CarbonylContact O-C 3.42Å; Q667-A752 WeakPolarHBondContact O-CA 3.17Å; Q667-A752 PolarHBondContact O-N 2.82Å | ||
| 753 | N | 29.9 | Very low | 30.2 | Very low | 74 Ų | 74 | 107.5 Ų | 107.5 | 40% | 0.396 | 64% | 0.642 | S | S | . | * | cis | -177.5 | 120.2 | 42.5 | -156.3 | 56 | 0 | 0 | 0 | 115.3 | Q667 K669 | Q667-N753 PolarHBondContact NE2-OD1 2.7Å; K669-N753 PolarHBondContact NZ-O 2.85Å | ||
| 754 | E | 27.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 62% | 0.615 | S | S | . | * | trans | 91.3 | 97.1 | 142.2 | -143.5 | 152.5 | 174.5 | 0 | 0 | 126.7 | Q667 K669 | Q667-E754 VanDerWaalsContact NE2-CA 3.34Å; Q667-E754 VanDerWaalsContact NE2-CB 3.31Å; Q667-E754 VanDerWaalsContact NE2-N 3.13Å; K669-E754 PolarHBondContact NZ-O 3.29Å; K669-E754 VanDerWaalsContact NZ-O 3.09Å | ||
| 755 | A | 27.4 | Very low | 31.3 | Very low | 82 Ų | 82 | 100.7 Ų | 100.7 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | trans | 86.2 | 122 | 137.9 | 0 | 0 | 0 | 0 | 0 | 124 | E668 | E668-A755 PolarHBondContact OE1-N 3.15Š| ||
| 756 | A | 27.7 | Very low | 32.2 | Very low | 103 Ų | 103 | 100.7 Ų | 100.7 | 85% | 0.851 | 59% | 0.587 | S | S | * | * | trans | -161.4 | 145.5 | 139.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 757 | R | 26.6 | Very low | 32.7 | Very low | 219 Ų | 219 | 96.7 Ų | 96.7 | 83% | 0.826 | 55% | 0.552 | S | S | * | * | trans | -95.9 | 143.8 | 172.7 | -70.6 | 172.9 | 170.8 | 167.8 | -6.8 | 110.3 | E759 | R757-E759 PolarHBondContact O-N 3.26Š| ||
| 758 | P | 30.3 | Very low | 33.5 | Very low | 131 Ų | 131 | 97.1 Ų | 97.1 | 85% | 0.851 | 54% | 0.541 | S | S | * | . | trans | -71.7 | 111.9 | 153.4 | 30.7 | -29.1 | 0 | 0 | 0 | 107.8 | ||||
| 759 | E | 28.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 97 Ų | 97 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | trans | -70.7 | 142.5 | -178.4 | -60.7 | -150.7 | 140.3 | 0 | 0 | 111.5 | R757 | R757-E759 PolarHBondContact O-N 3.26Š| ||
| 760 | T | 30.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 96.7 Ų | 96.7 | 73% | 0.73 | 52% | 0.522 | S | S | * | . | trans | -55.2 | 136.1 | 165.1 | 35.2 | 0 | 0 | 0 | 0 | 108.9 | S762 | T760-S762 PolarHBondContact O-N 2.92Š| ||
| 761 | P | 32.3 | Very low | 35.2 | Very low | 69 Ų | 69 | 93.5 Ų | 93.5 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | trans | -61 | 108.7 | -178 | 24 | -33.3 | 0 | 0 | 0 | 108.7 | ||||
| 762 | S | 41.2 | Very low | 35.6 | Very low | 45 Ų | 45 | 89.8 Ų | 89.8 | 32% | 0.315 | 47% | 0.474 | S | S | . | . | trans | -56.4 | 161.8 | -167.7 | 72.5 | 0 | 0 | 0 | 0 | 112.1 | T760 F764 S765 R766 | T760-S762 PolarHBondContact O-N 2.92Å; S762-F764 PolarHBondContact O-N 2.89Å; S762-F764 VanDerWaalsContact O-N 3.08Å; S762-S765 WeakPolarHBondContact O-CA 3.25Å; S762-S765 WeakPolarHBondContact O-CB 3.47Å; S762-S765 PolarHBondContact O-N 2.82Å; S762-S765 PolarHBondContact OG-N 3.36Å; S762-S765 PolarHBondContact OG-OG 3.35Å; S762-R766 PolarHBondContact O-N 2.88Å | ||
| 763 | L | 38.3 | Very low | 35.5 | Very low | 11 Ų | 11 | 90.6 Ų | 90.6 | 6% | 0.058 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -53.8 | -34.9 | 178 | -172.3 | 148 | 0 | 0 | 0 | 111 | R766 L767 W1161 P1209 A1212 L1224 | L763-R766 PolarHBondContact O-N 3.11Å; L763-L767 HydrophobicContact CD2-CD1 4.31Å; L763-L767 WeakPolarHBondContact O-CB 3.48Å; L763-L767 PolarHBondContact O-N 3.44Å; L763-W1161 HydrophobicContact CB-CZ2 4.25Å; L763-W1161 HydrophobicContact CD1-CH2 4.28Å; L763-W1161 HydrophobicContact CD1-CZ2 3.65Å; L763-P1209 HydrophobicContact CD1-CB 3.53Å; L763-P1209 HydrophobicContact CD1-CG 3.75Å; L763-A1212 HydrophobicContact CD2-CB 4.43Å; L763-L1224 HydrophobicContact CD1-CD1 4.11Å; L763-L1224 HydrophobicContact CD2-CD1 3.88Å |
| 764 | F | 39.5 | Very low | 35.5 | Very low | 68 Ų | 68 | 91.2 Ų | 91.2 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 172 | -90.2 | -136 | 0 | 0 | 0 | 114.1 | S762 R766 L767 R768 I1164 L1221 | S762-F764 PolarHBondContact O-N 2.89Å; S762-F764 VanDerWaalsContact O-N 3.08Å; F764-R766 VanDerWaalsContact C-N 3.26Å; F764-R766 PolarHBondContact O-N 3.1Å; F764-L767 PolarHBondContact O-N 2.94Å; F764-R768 VanDerWaalsContact O-CB 3.26Å; F764-R768 WeakPolarHBondContact O-CB 3.33Å; F764-R768 PolarHBondContact O-N 3.29Å; F764-I1164 HydrophobicContact CD2-CD1 3.96Å; F764-I1164 HydrophobicContact CD2-CG1 4.33Å; F764-I1164 HydrophobicContact CE2-CD1 3.29Å; F764-I1164 HydrophobicContact CE2-CG1 3.57Å; F764-I1164 HydrophobicContact CZ-CD1 3.97Å; F764-I1164 HydrophobicContact CZ-CG1 3.73Å; F764-L1221 HydrophobicContact CE1-CB 4.38Å; F764-L1221 HydrophobicContact CE2-CB 4.32Å; F764-L1221 HydrophobicContact CE2-CD1 3.8Å; F764-L1221 HydrophobicContact CE2-CD2 4.03Å; F764-L1221 HydrophobicContact CE2-CG 4.28Å; F764-L1221 HydrophobicContact CZ-CB 3.63Å; F764-L1221 HydrophobicContact CZ-CD1 3.97Å; F764-L1221 HydrophobicContact CZ-CD2 3.94Å; F764-L1221 HydrophobicContact CZ-CG 4.06Å |
| 765 | S | 44.3 | Very low | 35.6 | Very low | 55 Ų | 55 | 93.3 Ų | 93.3 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | S762 R769 | S762-S765 WeakPolarHBondContact O-CA 3.25Å; S762-S765 WeakPolarHBondContact O-CB 3.47Å; S762-S765 PolarHBondContact O-N 2.82Å; S762-S765 PolarHBondContact OG-N 3.36Å; S762-S765 PolarHBondContact OG-OG 3.35Å; S765-R769 PolarHBondContact O-N 2.98Å |
| 766 | R | 44.5 | Very low | 35.6 | Very low | 115 Ų | 115 | 93 Ų | 93 | 43% | 0.434 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.6 | -47.4 | 172.8 | -61.2 | -178.7 | -174.9 | 171.2 | -2 | 111.4 | S762 L763 F764 R768 R769 F770 | S762-R766 PolarHBondContact O-N 2.88Å; L763-R766 PolarHBondContact O-N 3.11Å; F764-R766 VanDerWaalsContact C-N 3.26Å; F764-R766 PolarHBondContact O-N 3.1Å; R766-R768 PolarHBondContact O-N 3.23Å; R766-R769 WeakPolarHBondContact O-CB 3.34Å; R766-R769 PolarHBondContact O-N 3.27Å; R766-F770 PolarHBondContact O-N 3.15Å |
| 767 | L | 41.2 | Very low | 35.6 | Very low | 14 Ų | 14 | 100.2 Ų | 100.2 | 7% | 0.073 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | -178.6 | -138.3 | 79.6 | 0 | 0 | 0 | 112.6 | L763 F764 F770 L771 A1212 A1214 | L763-L767 HydrophobicContact CD2-CD1 4.31Å; L763-L767 WeakPolarHBondContact O-CB 3.48Å; L763-L767 PolarHBondContact O-N 3.44Å; F764-L767 PolarHBondContact O-N 2.94Å; L767-F770 PolarHBondContact O-N 3.08Å; L767-L771 HydrophobicContact CD2-CD1 3.9Å; L767-L771 HydrophobicContact CG-CD1 3.9Å; L767-L771 HydrophobicContact CG-CG 4.48Å; L767-L771 VanDerWaalsContact O-CB 3.32Å; L767-L771 WeakPolarHBondContact O-CB 3.5Å; L767-L771 VanDerWaalsContact O-CG 3.31Å; L767-L771 WeakPolarHBondContact O-CG 3.43Å; L767-L771 PolarHBondContact O-N 2.75Å; L767-A1212 HydrophobicContact CD1-CB 3.8Å; L767-A1212 HydrophobicContact CD2-CB 3.51Å; L767-A1212 HydrophobicContact CG-CB 4.32Å; L767-A1214 HydrophobicContact CD2-CB 4.39Å |
| 768 | R | 43.1 | Very low | 35.7 | Very low | 114 Ų | 114 | 95.2 Ų | 95.2 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175 | -175.6 | -177.8 | -75.8 | -179.5 | -3 | 110.5 | F764 R766 F770 L771 T772 | F764-R768 VanDerWaalsContact O-CB 3.26Å; F764-R768 WeakPolarHBondContact O-CB 3.33Å; F764-R768 PolarHBondContact O-N 3.29Å; R766-R768 PolarHBondContact O-N 3.23Å; R768-F770 VanDerWaalsContact C-N 3.33Å; R768-F770 PolarHBondContact O-N 2.61Å; R768-L771 PolarHBondContact O-N 3.38Å; R768-T772 HydrophobicContact CG-CG2 4.35Å; R768-T772 PolarHBondContact O-N 2.73Å; R768-T772 PolarHBondContact O-OG1 2.88Å |
| 769 | R | 46 | Very low | 35.9 | Very low | 169 Ų | 169 | 93 Ų | 93 | 64% | 0.638 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.1 | -43.6 | 177.1 | -170.6 | -175.5 | -61.3 | 159.2 | -0.8 | 111.8 | S765 R766 G773 | S765-R769 PolarHBondContact O-N 2.98Å; R766-R769 WeakPolarHBondContact O-CB 3.34Å; R766-R769 PolarHBondContact O-N 3.27Å; R769-G773 PolarHBondContact O-N 3.06Å |
| 770 | F | 40.8 | Very low | 36 | Very low | 112 Ų | 112 | 94.3 Ų | 94.3 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 176.9 | -173.9 | -89.2 | 0 | 0 | 0 | 112.4 | R766 L767 R768 A1305 | R766-F770 PolarHBondContact O-N 3.15Å; L767-F770 PolarHBondContact O-N 3.08Å; R768-F770 VanDerWaalsContact C-N 3.33Å; R768-F770 PolarHBondContact O-N 2.61Å; F770-A1305 HydrophobicContact CD1-CB 3.99Å; F770-A1305 HydrophobicContact CE1-CB 3.52Å; F770-A1305 HydrophobicContact CZ-CB 4.12Å |
| 771 | L | 37.3 | Very low | 36.2 | Very low | 33 Ų | 33 | 92.7 Ų | 92.7 | 17% | 0.173 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -79.1 | -21.9 | -171.6 | -68.7 | 171.2 | 0 | 0 | 0 | 114.8 | L767 R768 A1214 | L767-L771 HydrophobicContact CD2-CD1 3.9Å; L767-L771 HydrophobicContact CG-CD1 3.9Å; L767-L771 HydrophobicContact CG-CG 4.48Å; L767-L771 VanDerWaalsContact O-CB 3.32Å; L767-L771 WeakPolarHBondContact O-CB 3.5Å; L767-L771 VanDerWaalsContact O-CG 3.31Å; L767-L771 WeakPolarHBondContact O-CG 3.43Å; L767-L771 PolarHBondContact O-N 2.75Å; R768-L771 PolarHBondContact O-N 3.38Å; L771-A1214 HydrophobicContact CD1-CB 3.82Å |
| 772 | T | 39.4 | Very low | 36.1 | Very low | 44 Ų | 44 | 92.3 Ų | 92.3 | 27% | 0.27 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -103.1 | -16.5 | 179.7 | 65.9 | 0 | 0 | 0 | 0 | 114.9 | R768 V774 | R768-T772 HydrophobicContact CG-CG2 4.35Å; R768-T772 PolarHBondContact O-N 2.73Å; R768-T772 PolarHBondContact O-OG1 2.88Å; T772-V774 WeakPolarHBondContact O-CG2 3.33Å; T772-V774 PolarHBondContact O-N 2.82Å |
| 773 | G | 30.4 | Very low | 35.5 | Very low | 67 Ų | 67 | 95.2 Ų | 95.2 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | trans | 68.3 | -24.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R769 | R769-G773 PolarHBondContact O-N 3.06Š| ||
| 774 | V | 29.4 | Very low | 35.1 | Very low | 87 Ų | 87 | 101.2 Ų | 101.2 | 53% | 0.527 | 52% | 0.524 | S | S | . | . | trans | -75 | 125.8 | -176 | -159.4 | 0 | 0 | 0 | 0 | 113 | T772 S776 | T772-V774 WeakPolarHBondContact O-CG2 3.33Å; T772-V774 PolarHBondContact O-N 2.82Å; V774-S776 WeakPolarHBondContact CG1-OG 3.4Å; V774-S776 PolarHBondContact O-N 2.71Å; V774-S776 VanDerWaalsContact O-N 3.17Å | ||
| 775 | K | 28.7 | Very low | 34.7 | Very low | 161 Ų | 161 | 107.1 Ų | 107.1 | 70% | 0.7 | 55% | 0.553 | S | S | * | * | trans | -70.7 | 93.3 | 159.9 | -67.9 | 170.6 | 177.1 | 167.3 | 0 | 109.2 | N397 | N397-K775 PolarHBondContact OD1-NZ 3.37Š| ||
| 776 | S | 28.6 | Very low | 33.9 | Very low | 77 Ų | 77 | 112.5 Ų | 112.5 | 54% | 0.538 | 57% | 0.572 | S | S | . | * | trans | -115.7 | 131.8 | 179.9 | -57.5 | 0 | 0 | 0 | 0 | 114.2 | V774 | V774-S776 WeakPolarHBondContact CG1-OG 3.4Å; V774-S776 PolarHBondContact O-N 2.71Å; V774-S776 VanDerWaalsContact O-N 3.17Å | ||
| 777 | R | 27.3 | Very low | 33.2 | Very low | 254 Ų | 254 | 116.9 Ų | 116.9 | 96% | 0.958 | 59% | 0.594 | S | S | * | * | trans | -73.6 | 148.1 | 166.8 | -65.8 | 173 | 173.1 | 163.5 | -3.4 | 110.9 | ||||
| 778 | T | 28.9 | Very low | 32.7 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 69% | 0.693 | 63% | 0.631 | S | S | * | * | trans | -163.6 | 135.5 | 175.7 | -46.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 779 | S | 33.8 | Very low | 32.2 | Very low | 86 Ų | 86 | 124.2 Ų | 124.2 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | cis | -148.3 | -142.8 | 4 | 33.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 780 | E | 31.5 | Very low | 31.4 | Very low | 168 Ų | 168 | 121.7 Ų | 121.7 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | cis | -155.9 | -168.1 | 2.6 | -142 | 135.8 | -98.9 | 0 | 0 | 108.6 | ||||
| 781 | P | 34.4 | Very low | 31 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | -145.9 | -175.1 | -111.2 | 47.9 | -27.5 | 0 | 0 | 0 | 119.9 | |||||
| 782 | S | 29.1 | Very low | 30.7 | Very low | 61 Ų | 61 | 127 Ų | 127 | 43% | 0.427 | 68% | 0.681 | S | S | . | * | trans | 71.2 | 135 | 146.7 | -55.2 | 0 | 0 | 0 | 0 | 120.7 | A675 E676 | A675-S782 VanDerWaalsContact CB-C 3.46Å; A675-S782 WeakPolarHBondContact CB-O 3.49Å; E676-S782 VanDerWaalsContact CD-N 3.31Å; E676-S782 WeakPolarHBondContact OE1-CA 3.41Å; E676-S782 PolarHBondContact OE1-N 3.21Å; E676-S782 WeakPolarHBondContact OE2-CA 3.48Å | ||
| 783 | V | 29.8 | Very low | 30.5 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 65% | 0.648 | 71% | 0.706 | S | S | * | * | -164 | 123.9 | 53.6 | 162.4 | 0 | 0 | 0 | 0 | 116.2 | E676 | E676-V783 PolarHBondContact OE2-N 3.44Å; E676-V783 VanDerWaalsContact OE2-N 3.14Å | |||
| 784 | I | 28.4 | Very low | 30.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | trans | 46.9 | 127.1 | 130.3 | -36.3 | 170.8 | 0 | 0 | 0 | 124.4 | ||||
| 785 | Q | 30.8 | Very low | 30.6 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | 175.7 | 162.8 | 117.3 | -92.2 | -167.4 | 25.4 | 0 | 0 | 117.8 | |||||
| 786 | E | 27.6 | Very low | 30.6 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | trans | -104.5 | 163.1 | -156.2 | -38.3 | 163.8 | 96.7 | 0 | 0 | 117.9 | ||||
| 787 | K | 31.5 | Very low | 30.8 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | -170.4 | 143.7 | 113.8 | -104.6 | 156.9 | -172.2 | 161.1 | 0 | 119.1 | |||||
| 788 | K | 29.2 | Very low | 31 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | trans | -83.5 | -168.9 | 176.8 | -123.5 | -175.1 | 164.1 | -175.1 | 0 | 112.4 | ||||
| 789 | P | 33.9 | Very low | 31.4 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 57% | 0.571 | 74% | 0.742 | S | S | * | * | cis | -143.8 | 178.5 | -18.6 | 34 | -11.9 | 0 | 0 | 0 | 117.9 | ||||
| 790 | T | 29 | Very low | 31.5 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | trans | 66.5 | 160 | 144.4 | 41.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 791 | E | 32.7 | Very low | 32.1 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | cis | -160.1 | 169.7 | 10 | -137.2 | 150.1 | -137.9 | 0 | 0 | 113.2 | ||||
| 792 | A | 31 | Very low | 32.7 | Very low | 85 Ų | 85 | 137 Ų | 137 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 64.5 | 157.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 793 | E | 33.8 | Very low | 33.1 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | cis | -163.6 | 131.5 | -14.4 | -105.6 | -174.8 | 126.6 | 0 | 0 | 106.6 | ||||
| 794 | T | 28.4 | Very low | 33.9 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | 97.5 | 149.5 | 84.4 | -61.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 795 | A | 34 | Very low | 34.4 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | 80.4 | 124.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 796 | T | 30.1 | Very low | 34.4 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | cis | 100.1 | 153.1 | 11.5 | -45.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 797 | E | 32.4 | Very low | 34.8 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 86 | 110 | 178.7 | -152 | 165.5 | -137.3 | 0 | 0 | 114.1 | ||||
| 798 | E | 30.9 | Very low | 34.9 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | 94.8 | 106.1 | 28.5 | -167.5 | -175.8 | -166.4 | 0 | 0 | 115.3 | ||||
| 799 | V | 37.5 | Very low | 35.3 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 92% | 0.915 | 78% | 0.779 | S | S | * | * | trans | -148.5 | 141.4 | 154.9 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 800 | A | 35.9 | Very low | 35.5 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | -111 | 168.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 801 | P | 43.2 | Very low | 35.6 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -98.6 | 172.5 | -169.6 | 39.2 | -36.5 | 0 | 0 | 0 | 115.2 | ||||
| 802 | P | 48.5 | Very low | 35.8 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -106.8 | 157.7 | 168.4 | 38.2 | -30.4 | 0 | 0 | 0 | 114.5 | ||||
| 803 | S | 37.2 | Very low | 35.9 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -104.5 | 172.3 | -175.7 | -47.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 804 | P | 45.7 | Very low | 35.9 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -97.1 | 174 | -168.1 | 39.2 | -36.2 | 0 | 0 | 0 | 115.1 | ||||
| 805 | P | 39.7 | Very low | 36.2 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -110.7 | 174.1 | 168.1 | 39.9 | -30.7 | 0 | 0 | 0 | 114.5 | ||||
| 806 | E | 31.3 | Very low | 36.3 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -100.4 | -169.3 | -164.6 | -53.2 | 152 | 113.1 | 0 | 0 | 115.3 | ||||
| 807 | T | 35.3 | Very low | 36.9 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | 107.1 | 141.8 | 165.6 | 66.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 808 | S | 33.6 | Very low | 36.7 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | -164.3 | 152.1 | -23.3 | -88.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 809 | P | 38.2 | Very low | 36.6 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -101.5 | 157.6 | 177.2 | 38.8 | -34 | 0 | 0 | 0 | 114.4 | ||||
| 810 | E | 36.2 | Very low | 36.2 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | 164.9 | 153.5 | 162.1 | -98.3 | 169.3 | -160.7 | 0 | 0 | 108.3 | ||||
| 811 | D | 32.8 | Very low | 35.9 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | cis | -167.4 | -175.5 | -13.7 | -168 | 10.9 | 0 | 0 | 0 | 109.6 | ||||
| 812 | T | 35.5 | Very low | 35.3 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | 86.7 | 147 | 162.3 | 74.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 813 | S | 33.6 | Very low | 34.6 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -173.8 | 161.4 | -22.8 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 814 | S | 33.5 | Very low | 34.3 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 75.3 | 131.5 | 157.1 | -173.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 815 | A | 36 | Very low | 33.5 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | cis | -162.8 | 155.8 | -12.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 816 | E | 36 | Very low | 33 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -95.1 | -160.2 | 168.1 | -36.6 | 176.7 | 119 | 0 | 0 | 110.5 | ||||
| 817 | P | 42.1 | Very low | 33 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | cis | -134.1 | -178.7 | -21.7 | 36 | -17.6 | 0 | 0 | 0 | 113.7 | ||||
| 818 | D | 27.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | 175.1 | 115.7 | 121.7 | -103.3 | -11.5 | 0 | 0 | 0 | 112.4 | |||||
| 819 | T | 30.3 | Very low | 33 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | 164.8 | 158.1 | 149.4 | -75.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 820 | I | 28.2 | Very low | 33.3 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -90.2 | 146.1 | -164.2 | -61.9 | 166.7 | 0 | 0 | 0 | 113.7 | F822 | I820-F822 HydrophobicContact CG2-CD2 4.01Å; I820-F822 HydrophobicContact CG2-CE2 4.34Å | ||
| 821 | I | 30 | Very low | 33.9 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | -106.1 | 138.8 | 179.6 | -58.5 | 168 | 0 | 0 | 0 | 111 | ||||
| 822 | F | 30.7 | Very low | 35.1 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | trans | -144.9 | 44.8 | 175.4 | -108.7 | -77.5 | 0 | 0 | 0 | 115.4 | I820 | I820-F822 HydrophobicContact CG2-CD2 4.01Å; I820-F822 HydrophobicContact CG2-CE2 4.34Å | ||
| 823 | A | 33.1 | Very low | 36.4 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 60% | 0.595 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -152.6 | 155.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R825 | A823-R825 PolarHBondContact O-N 2.84Š|
| 824 | P | 31.5 | Very low | 38.3 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 138.5 | 172.5 | 27 | -34.2 | 0 | 0 | 0 | 110 | R826 | P824-R826 PolarHBondContact O-N 2.85Å; P824-R826 VanDerWaalsContact O-N 3.15Å |
| 825 | R | 27.5 | Very low | 40.4 | Very low | 213 Ų | 213 | 128.3 Ų | 128.3 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 121.6 | 177.5 | -70.8 | -172.8 | -178.9 | -173.4 | -0.4 | 109.3 | A823 | A823-R825 PolarHBondContact O-N 2.84Š|
| 826 | R | 30.5 | Very low | 42.3 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 139.5 | 156 | -175.7 | -178.4 | -79.2 | 172.7 | -7 | 106.6 | P824 D828 | P824-R826 PolarHBondContact O-N 2.85Å; P824-R826 VanDerWaalsContact O-N 3.15Å; R826-D828 PolarHBondContact O-N 3.45Å |
| 827 | P | 30.8 | Very low | 44.3 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 72% | 0.721 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 141.2 | 168.1 | -23.2 | 33.7 | 0 | 0 | 0 | 109.2 | S829 | P827-S829 PolarHBondContact O-N 2.8Å; P827-S829 VanDerWaalsContact O-N 3.13Å |
| 828 | D | 33.7 | Very low | 46.1 | Very low | 145 Ų | 145 | 120 Ų | 120 | 78% | 0.775 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -54 | 123.3 | -175.8 | -64.3 | -71.2 | 0 | 0 | 0 | 110 | R826 P830 | R826-D828 PolarHBondContact O-N 3.45Å; D828-P830 VanDerWaalsContact O-N 3.15Å |
| 829 | S | 35.4 | Very low | 48.7 | Very low | 90 Ų | 90 | 114.7 Ų | 114.7 | 63% | 0.629 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 122.3 | -179 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | P827 Q831 | P827-S829 PolarHBondContact O-N 2.8Å; P827-S829 VanDerWaalsContact O-N 3.13Å; S829-Q831 PolarHBondContact O-N 2.88Å |
| 830 | P | 44.8 | Very low | 51.2 | Low | 68 Ų | 68 | 115.3 Ų | 115.3 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 130.5 | -175.7 | 20.2 | -31.5 | 0 | 0 | 0 | 109.4 | D828 R832 | D828-P830 VanDerWaalsContact O-N 3.15Å; P830-R832 VanDerWaalsContact C-N 3.32Å; P830-R832 PolarHBondContact O-N 3.32Å |
| 831 | Q | 48.4 | Very low | 53.7 | Low | 165 Ų | 165 | 112.7 Ų | 112.7 | 77% | 0.771 | 56% | 0.562 | S | S | * | * | trans | -67.8 | 91.2 | -172.7 | -175.7 | 174.7 | -2.7 | 0 | 0 | 108.6 | S829 H833 | S829-Q831 PolarHBondContact O-N 2.88Å; Q831-H833 PolarHBondContact O-N 2.99Å | ||
| 832 | R | 57.5 | Low | 56.4 | Low | 208 Ų | 208 | 108.3 Ų | 108.3 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | trans | -50.5 | 98.3 | -171.2 | -75.4 | -175 | 172.1 | -175.3 | -4.5 | 111.2 | P830 N834 Y916 | P830-R832 VanDerWaalsContact C-N 3.32Å; P830-R832 PolarHBondContact O-N 3.32Å; R832-N834 PolarHBondContact O-N 3.27Å; R832-Y916 HydrophobicContact CB-CE1 4.49Å | ||
| 833 | H | 64.4 | Low | 59.2 | Low | 61 Ų | 61 | 102.1 Ų | 102.1 | 28% | 0.282 | 52% | 0.518 | S | S | . | . | trans | -63.9 | 131.5 | 174.8 | -59.9 | -61.6 | 0 | 0 | 0 | 109.9 | Q831 L835 I838 L883 Y916 | Q831-H833 PolarHBondContact O-N 2.99Å; H833-L835 PolarHBondContact O-N 3.37Å; H833-I838 HydrophobicContact CB-CD1 3.8Å; H833-I838 HydrophobicContact CB-CG1 4.38Å; H833-L883 HydrophobicContact CB-CD1 4.25Å; H833-Y916 HydrophobicContact CB-CE1 4.24Å; H833-Y916 PolarHBondContact N-OH 2.84Å; H833-Y916 WeakPolarHBondContact O-CE1 3.07Å | ||
| 834 | N | 73.1 | Confident | 61.9 | Low | 70 Ų | 70 | 104 Ų | 104 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | trans | -76.5 | 115.2 | 171.9 | -176.7 | 2.6 | 0 | 0 | 0 | 108.8 | R832 D836 E837 I838 | R832-N834 PolarHBondContact O-N 3.27Å; N834-D836 PolarHBondContact O-N 3.42Å; N834-D836 PolarHBondContact OD1-N 3.27Å; N834-E837 HydrophobicContact CB-CB 4.02Å; N834-E837 HydrophobicContact CB-CG 3.99Å; N834-E837 PolarHBondContact ND2-OE1 3.39Å; N834-E837 WeakPolarHBondContact O-CB 3.21Å; N834-E837 PolarHBondContact O-N 3Å; N834-I838 PolarHBondContact O-N 2.96Å | ||
| 835 | L | 76.5 | Confident | 64.5 | Low | 42 Ų | 42 | 104.2 Ų | 104.2 | 22% | 0.22 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -57.1 | -37.1 | -178.7 | -75.7 | 159.9 | 0 | 0 | 0 | 111.9 | H833 E837 I838 L839 L883 A887 I918 | H833-L835 PolarHBondContact O-N 3.37Å; L835-E837 VanDerWaalsContact C-N 3.31Å; L835-E837 PolarHBondContact O-N 2.83Å; L835-I838 PolarHBondContact O-N 2.84Å; L835-L839 WeakPolarHBondContact O-CG 3Å; L835-L839 PolarHBondContact O-N 3.39Å; L835-L883 HydrophobicContact CD2-CB 4.35Å; L835-L883 HydrophobicContact CD2-CD2 4.25Å; L835-A887 HydrophobicContact CD2-CB 4.1Å; L835-I918 HydrophobicContact CD1-CG1 4.16Å; L835-I918 HydrophobicContact CD2-CD1 4.32Å |
| 836 | D | 76 | Confident | 67.2 | Low | 86 Ų | 86 | 101.2 Ų | 101.2 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -34 | 174.9 | -80.4 | 7.3 | 0 | 0 | 0 | 112.7 | N834 K840 | N834-D836 PolarHBondContact O-N 3.42Å; N834-D836 PolarHBondContact OD1-N 3.27Å; D836-K840 VanDerWaalsContact O-CB 3.31Å; D836-K840 WeakPolarHBondContact O-CB 3.23Å; D836-K840 VanDerWaalsContact O-CD 3.24Å; D836-K840 WeakPolarHBondContact O-CD 3.09Å; D836-K840 WeakPolarHBondContact O-CG 3.26Å; D836-K840 PolarHBondContact O-N 2.85Å; D836-K840 IonicContact OD2-NZ 3.19Å |
| 837 | E | 78.2 | Confident | 69.6 | Low | 108 Ų | 108 | 96.2 Ų | 96.2 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.1 | -31.9 | 176.5 | -73.1 | 165.3 | -145.4 | 0 | 0 | 111.6 | N834 L835 N841 | N834-E837 HydrophobicContact CB-CB 4.02Å; N834-E837 HydrophobicContact CB-CG 3.99Å; N834-E837 PolarHBondContact ND2-OE1 3.39Å; N834-E837 WeakPolarHBondContact O-CB 3.21Å; N834-E837 PolarHBondContact O-N 3Å; L835-E837 VanDerWaalsContact C-N 3.31Å; L835-E837 PolarHBondContact O-N 2.83Å; E837-N841 WeakPolarHBondContact O-CB 3.43Å; E837-N841 PolarHBondContact O-N 3Å; E837-N841 VanDerWaalsContact O-N 3.11Å; E837-N841 PolarHBondContact O-ND2 3.05Å |
| 838 | I | 80.6 | Confident | 71.6 | Confident | 4 Ų | 4 | 97.7 Ų | 97.7 | 2% | 0.021 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 169.5 | -66.3 | 177.6 | 0 | 0 | 0 | 109.4 | H833 N834 L835 N841 L842 K880 L883 A884 | H833-I838 HydrophobicContact CB-CD1 3.8Å; H833-I838 HydrophobicContact CB-CG1 4.38Å; N834-I838 PolarHBondContact O-N 2.96Å; L835-I838 PolarHBondContact O-N 2.84Å; I838-N841 PolarHBondContact O-N 2.67Å; I838-L842 WeakPolarHBondContact O-CB 3.34Å; I838-L842 PolarHBondContact O-N 3.49Å; I838-L842 VanDerWaalsContact O-N 3.11Å; I838-K880 HydrophobicContact CD1-CG 3.89Å; I838-K880 HydrophobicContact CG1-CG 4.08Å; I838-L883 HydrophobicContact CD1-CB 3.71Å; I838-L883 HydrophobicContact CD1-CD1 4.23Å; I838-A884 HydrophobicContact CG2-CB 3.5Å; I838-A884 VanDerWaalsContact CG2-CB 3.5Å |
| 839 | L | 81.4 | Confident | 73.8 | Confident | 39 Ų | 39 | 95.6 Ų | 95.6 | 20% | 0.204 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 179.2 | -73.6 | 164.7 | 0 | 0 | 0 | 112.9 | L835 N841 L842 A887 V888 N891 F892 | L835-L839 WeakPolarHBondContact O-CG 3Å; L835-L839 PolarHBondContact O-N 3.39Å; L839-N841 VanDerWaalsContact C-N 3.31Å; L839-N841 PolarHBondContact O-N 3Å; L839-L842 WeakPolarHBondContact O-CB 3.28Å; L839-L842 PolarHBondContact O-N 3.05Å; L839-A887 HydrophobicContact CD1-CB 4.05Å; L839-A887 HydrophobicContact CD2-CB 3.84Å; L839-A887 HydrophobicContact CG-CB 3.87Å; L839-V888 HydrophobicContact CD2-CG2 4.21Å; L839-N891 WeakPolarHBondContact CD1-ND2 3.47Å; L839-F892 HydrophobicContact CD2-CE2 4.49Å |
| 840 | K | 82 | Confident | 75.7 | Confident | 153 Ų | 153 | 100.2 Ų | 100.2 | 67% | 0.665 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.8 | -25.9 | 179.1 | -74.3 | 162.2 | -168.4 | 158.4 | 0 | 113.8 | D836 | D836-K840 VanDerWaalsContact O-CB 3.31Å; D836-K840 WeakPolarHBondContact O-CB 3.23Å; D836-K840 VanDerWaalsContact O-CD 3.24Å; D836-K840 WeakPolarHBondContact O-CD 3.09Å; D836-K840 WeakPolarHBondContact O-CG 3.26Å; D836-K840 PolarHBondContact O-N 2.85Å; D836-K840 IonicContact OD2-NZ 3.19Å |
| 841 | N | 82.1 | Confident | 77.7 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 7.2 | 176.6 | -64.1 | -58.9 | 0 | 0 | 0 | 112.8 | E837 I838 L839 | E837-N841 WeakPolarHBondContact O-CB 3.43Å; E837-N841 PolarHBondContact O-N 3Å; E837-N841 VanDerWaalsContact O-N 3.11Å; E837-N841 PolarHBondContact O-ND2 3.05Å; I838-N841 PolarHBondContact O-N 2.67Å; L839-N841 VanDerWaalsContact C-N 3.31Å; L839-N841 PolarHBondContact O-N 3Å |
| 842 | L | 87.4 | Confident | 79.6 | Confident | 28 Ų | 28 | 90.3 Ų | 90.3 | 15% | 0.147 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 124.8 | 179.4 | -163 | 70.1 | 0 | 0 | 0 | 109.9 | I838 L839 Y854 V856 F862 A884 V888 | I838-L842 WeakPolarHBondContact O-CB 3.34Å; I838-L842 PolarHBondContact O-N 3.49Å; I838-L842 VanDerWaalsContact O-N 3.11Å; L839-L842 WeakPolarHBondContact O-CB 3.28Å; L839-L842 PolarHBondContact O-N 3.05Å; L842-Y854 HydrophobicContact CD1-CD1 4.47Å; L842-Y854 HydrophobicContact CD2-CD1 3.45Å; L842-Y854 VanDerWaalsContact CD2-CD1 3.45Å; L842-Y854 HydrophobicContact CD2-CE1 3.84Å; L842-Y854 HydrophobicContact CD2-CG 4.28Å; L842-Y854 HydrophobicContact CG-CD1 3.75Å; L842-Y854 HydrophobicContact CG-CE1 4.45Å; L842-V856 HydrophobicContact CD1-CG2 3.63Å; L842-F862 HydrophobicContact CD2-CZ 4.41Å; L842-A884 HydrophobicContact CD1-CB 4.04Å; L842-V888 HydrophobicContact CD2-CG2 3.6Å |
| 843 | T | 88.8 | Confident | 81.2 | Confident | 76 Ų | 76 | 82.1 Ų | 82.1 | 47% | 0.466 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 151.5 | 174.8 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | Y854 S855 | T843-Y854 CarbonylContact O-C 3.57Å; T843-Y854 WeakPolarHBondContact O-CA 3.02Å; T843-S855 PolarHBondContact N-O 2.81Å; T843-S855 PolarHBondContact O-N 2.82Å; T843-S855 PolarHBondContact OG1-O 3Å; T843-S855 VanDerWaalsContact OG1-O 3.13Å |
| 844 | H | 89 | Confident | 82.6 | Confident | 112 Ų | 112 | 81.2 Ų | 81.2 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 158.1 | 178.9 | 68.4 | -91 | 0 | 0 | 0 | 111.6 | L853 Y854 | H844-L853 CarbonylContact C-O 3.6Å; H844-L853 VanDerWaalsContact CA-O 3.3Å; H844-L853 WeakPolarHBondContact CA-O 3.31Å; H844-Y854 HydrophobicContact CB-CD1 3.65Å; H844-Y854 HydrophobicContact CB-CE1 3.64Å; H844-Y854 HydrophobicContact CB-CG 4.3Å |
| 845 | K | 86.9 | Confident | 83.5 | Confident | 132 Ų | 132 | 78.7 Ų | 78.7 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 117.2 | 172.3 | -179.8 | -176.5 | 175.6 | -175.3 | 0 | 109.7 | A852 L853 | K845-A852 WeakPolarHBondContact O-CA 3.48Å; K845-L853 PolarHBondContact N-O 3.17Å; K845-L853 PolarHBondContact O-N 2.97Å |
| 846 | E | 84.4 | Confident | 84.2 | Confident | 149 Ų | 149 | 77 Ų | 77 | 70% | 0.696 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 152.5 | 177 | -59.8 | -178.9 | 162.5 | 0 | 0 | 112.1 | T851 A852 | E846-T851 CarbonylContact C-O 3.6Å; E846-T851 WeakPolarHBondContact CA-O 3.29Å; E846-A852 HydrophobicContact CG-CB 4.49Å |
| 847 | F | 80.3 | Confident | 84.6 | Confident | 79 Ų | 79 | 78.2 Ų | 78.2 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | trans | -120.2 | 158.6 | 171.8 | -65.7 | -77.3 | 0 | 0 | 0 | 111 | D849 R850 T851 L853 L863 | F847-D849 VanDerWaalsContact CB-OD1 3.3Å; F847-D849 WeakPolarHBondContact CB-OD1 3.46Å; F847-D849 PolarHBondContact O-N 3.16Å; F847-R850 PolarHBondContact O-N 3.33Å; F847-T851 WeakPolarHBondContact CD2-OG1 3.37Å; F847-T851 PolarHBondContact N-O 2.9Å; F847-L853 HydrophobicContact CE2-CB 3.88Å; F847-L863 HydrophobicContact CE2-CD2 4.17Å | ||
| 848 | P | 72.3 | Confident | 84.9 | Confident | 142 Ų | 142 | 75.9 Ų | 75.9 | 92% | 0.922 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.8 | -177 | -24.6 | 35.4 | 0 | 0 | 0 | 115.7 | R850 | P848-R850 VanDerWaalsContact C-N 3.27Š|
| 849 | D | 80 | Confident | 85.3 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 7.8 | 176.8 | 68.6 | -13 | 0 | 0 | 0 | 113.6 | F847 T851 | F847-D849 VanDerWaalsContact CB-OD1 3.3Å; F847-D849 WeakPolarHBondContact CB-OD1 3.46Å; F847-D849 PolarHBondContact O-N 3.16Å; D849-T851 VanDerWaalsContact C-N 3.28Å; D849-T851 PolarHBondContact O-N 3.01Å; D849-T851 WeakPolarHBondContact OD1-CB 3.33Å; D849-T851 WeakPolarHBondContact OD1-CG2 3.28Å; D849-T851 PolarHBondContact OD1-N 2.95Å; D849-T851 PolarHBondContact OD1-OG1 2.63Å; D849-T851 WeakPolarHBondContact OD2-CG2 3.46Å; D849-T851 PolarHBondContact OD2-OG1 2.93Å |
| 850 | R | 76.6 | Confident | 85.8 | Confident | 188 Ų | 188 | 81.7 Ų | 81.7 | 71% | 0.709 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 67.1 | 18.8 | -173.2 | -49.5 | -179.9 | 177.8 | -172 | -2.8 | 114.8 | F847 P848 L866 | F847-R850 PolarHBondContact O-N 3.33Å; P848-R850 VanDerWaalsContact C-N 3.27Å; R850-L866 HydrophobicContact CB-CD1 4.13Å |
| 851 | T | 84.9 | Confident | 86.3 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 7% | 0.074 | 39% | 0.389 | C | S | . | . | trans | -86.3 | 147.5 | 166.8 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | E846 F847 D849 D864 R865 | E846-T851 CarbonylContact C-O 3.6Å; E846-T851 WeakPolarHBondContact CA-O 3.29Å; F847-T851 WeakPolarHBondContact CD2-OG1 3.37Å; F847-T851 PolarHBondContact N-O 2.9Å; D849-T851 VanDerWaalsContact C-N 3.28Å; D849-T851 PolarHBondContact O-N 3.01Å; D849-T851 WeakPolarHBondContact OD1-CB 3.33Å; D849-T851 WeakPolarHBondContact OD1-CG2 3.28Å; D849-T851 PolarHBondContact OD1-N 2.95Å; D849-T851 PolarHBondContact OD1-OG1 2.63Å; D849-T851 WeakPolarHBondContact OD2-CG2 3.46Å; D849-T851 PolarHBondContact OD2-OG1 2.93Å; T851-D864 CarbonylContact C-O 3.57Å; T851-D864 VanDerWaalsContact CA-O 3.24Å; T851-D864 WeakPolarHBondContact CA-O 3.42Å; T851-D864 WeakPolarHBondContact CB-O 3.31Å; T851-R865 HydrophobicContact CG2-CB 4.42Å; T851-R865 HydrophobicContact CG2-CG 4.02Å | ||
| 852 | A | 88.6 | Confident | 86.8 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 11% | 0.107 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K845 E846 Y854 L863 D864 | K845-A852 WeakPolarHBondContact O-CA 3.48Å; E846-A852 HydrophobicContact CG-CB 4.49Å; A852-Y854 HydrophobicContact CB-CE2 4.23Å; A852-Y854 PolarHBondContact O-N 3.4Å; A852-L863 WeakPolarHBondContact O-CA 3.32Å; A852-D864 HydrophobicContact CB-CB 4.39Å; A852-D864 PolarHBondContact N-O 3Å; A852-D864 PolarHBondContact O-N 3.19Å |
| 853 | L | 92.6 | Very high | 87 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 107.7 | 174.5 | 176 | 60.6 | 0 | 0 | 0 | 110.3 | H844 K845 F847 P860 L863 V872 | H844-L853 CarbonylContact C-O 3.6Å; H844-L853 VanDerWaalsContact CA-O 3.3Å; H844-L853 WeakPolarHBondContact CA-O 3.31Å; K845-L853 PolarHBondContact N-O 3.17Å; K845-L853 PolarHBondContact O-N 2.97Å; F847-L853 HydrophobicContact CE2-CB 3.88Å; L853-P860 HydrophobicContact CD1-CB 3.96Å; L853-P860 HydrophobicContact CD2-CB 4.37Å; L853-P860 HydrophobicContact CG-CB 4.5Å; L853-L863 HydrophobicContact CB-CD2 3.83Å; L853-L863 HydrophobicContact CD1-CD2 3.91Å; L853-L863 HydrophobicContact CD1-CG 4.31Å; L853-L863 HydrophobicContact CG-CD2 4.43Å; L853-V872 HydrophobicContact CD1-CG2 3.81Å |
| 854 | Y | 93.2 | Very high | 87.1 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 16% | 0.161 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 136.3 | 171.8 | -74.4 | -81.6 | 0 | 0 | 0 | 111.4 | L842 T843 H844 A852 A861 F862 D864 | L842-Y854 HydrophobicContact CD1-CD1 4.47Å; L842-Y854 HydrophobicContact CD2-CD1 3.45Å; L842-Y854 VanDerWaalsContact CD2-CD1 3.45Å; L842-Y854 HydrophobicContact CD2-CE1 3.84Å; L842-Y854 HydrophobicContact CD2-CG 4.28Å; L842-Y854 HydrophobicContact CG-CD1 3.75Å; L842-Y854 HydrophobicContact CG-CE1 4.45Å; T843-Y854 CarbonylContact O-C 3.57Å; T843-Y854 WeakPolarHBondContact O-CA 3.02Å; H844-Y854 HydrophobicContact CB-CD1 3.65Å; H844-Y854 HydrophobicContact CB-CE1 3.64Å; H844-Y854 HydrophobicContact CB-CG 4.3Å; A852-Y854 HydrophobicContact CB-CE2 4.23Å; A852-Y854 PolarHBondContact O-N 3.4Å; Y854-A861 PolarHBondContact O-N 3.5Å; Y854-F862 HydrophobicContact CD1-CZ 4.44Å; Y854-F862 AromaticContact CD2-CD2 3.88Å; Y854-F862 HydrophobicContact CD2-CD2 3.88Å; Y854-F862 AromaticContact CD2-CE2 3.33Å; Y854-F862 HydrophobicContact CD2-CE2 3.33Å; Y854-F862 AromaticContact CD2-CZ 3.97Å; Y854-F862 HydrophobicContact CD2-CZ 3.97Å; Y854-F862 HydrophobicContact CE2-CE2 4.1Å; Y854-F862 HydrophobicContact CG-CD2 4.27Å; Y854-F862 AromaticContact CG-CE2 3.6Å; Y854-F862 HydrophobicContact CG-CE2 3.6Å; Y854-F862 AromaticContact CG-CZ 3.74Å; Y854-F862 HydrophobicContact CG-CZ 3.74Å; Y854-F862 PolarHBondContact N-O 2.85Å; Y854-F862 PolarHBondContact O-N 3.12Å; Y854-D864 HydrophobicContact CD2-CB 3.95Å; Y854-D864 HydrophobicContact CE2-CB 3.63Å |
| 855 | S | 92.3 | Very high | 86.9 | Confident | 18 Ų | 18 | 65 Ų | 65 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.8 | -177.8 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | T843 E859 | T843-S855 PolarHBondContact N-O 2.81Å; T843-S855 PolarHBondContact O-N 2.82Å; T843-S855 PolarHBondContact OG1-O 3Å; T843-S855 VanDerWaalsContact OG1-O 3.13Å; S855-E859 CarbonylContact C-O 3.59Å; S855-E859 WeakPolarHBondContact CA-O 3.48Å; S855-E859 WeakPolarHBondContact CB-O 3.38Å |
| 856 | V | 89.8 | Confident | 86.3 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.036 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.6 | 180 | 176.8 | 0 | 0 | 0 | 0 | 108 | L842 G858 E859 A861 K880 K881 A884 | L842-V856 HydrophobicContact CD1-CG2 3.63Å; V856-G858 PolarHBondContact O-N 2.91Å; V856-E859 PolarHBondContact N-O 2.84Å; V856-E859 WeakPolarHBondContact O-CB 3.44Å; V856-E859 PolarHBondContact O-N 3.28Å; V856-A861 HydrophobicContact CG2-CB 3.92Å; V856-K880 HydrophobicContact CG1-CD 3.81Å; V856-K880 HydrophobicContact CG1-CG 3.99Å; V856-K881 HydrophobicContact CB-CG 4.41Å; V856-K881 HydrophobicContact CG2-CG 4.47Å; V856-A884 HydrophobicContact CG2-CB 3.59Å |
| 857 | D | 86 | Confident | 86.1 | Confident | 112 Ų | 112 | 66.2 Ų | 66.2 | 60% | 0.599 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 19.9 | -174.8 | -49.2 | -28.1 | 0 | 0 | 0 | 114.5 | K880 | D857-K880 IonicContact OD1-NZ 3.95Å; D857-K880 PolarHBondContact OD1-NZ 2.61Å; D857-K880 IonicContact OD2-NZ 3.72Å; D857-K880 PolarHBondContact OD2-NZ 3.15Å |
| 858 | G | 83.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | -9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | V856 | V856-G858 PolarHBondContact O-N 2.91Š|
| 859 | E | 89.3 | Confident | 87.3 | Confident | 118 Ų | 118 | 59.9 Ų | 59.9 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.5 | 177 | -78.9 | -69.4 | 143.9 | 0 | 0 | 111.4 | S855 V856 | S855-E859 CarbonylContact C-O 3.59Å; S855-E859 WeakPolarHBondContact CA-O 3.48Å; S855-E859 WeakPolarHBondContact CB-O 3.38Å; V856-E859 PolarHBondContact N-O 2.84Å; V856-E859 WeakPolarHBondContact O-CB 3.44Å; V856-E859 PolarHBondContact O-N 3.28Å |
| 860 | P | 91.1 | Very high | 87.8 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 140.4 | -179 | 25.9 | -34.5 | 0 | 0 | 0 | 111.8 | L853 V872 K881 | L853-P860 HydrophobicContact CD1-CB 3.96Å; L853-P860 HydrophobicContact CD2-CB 4.37Å; L853-P860 HydrophobicContact CG-CB 4.5Å; P860-V872 HydrophobicContact CB-CG1 4.37Å; P860-V872 HydrophobicContact CB-CG2 4.39Å; P860-K881 PolarHBondContact O-NZ 3.32Å |
| 861 | A | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | -56.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y854 V856 M871 V872 A875 K881 | Y854-A861 PolarHBondContact O-N 3.5Å; V856-A861 HydrophobicContact CG2-CB 3.92Å; A861-M871 WeakPolarHBondContact O-CE 3.23Å; A861-V872 PolarHBondContact O-N 2.99Å; A861-A875 WeakPolarHBondContact O-CB 3.35Å; A861-K881 HydrophobicContact CB-CB 3.95Å; A861-K881 HydrophobicContact CB-CD 4.11Å; A861-K881 HydrophobicContact CB-CG 3.85Å |
| 862 | F | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 151.6 | 179.2 | 54.9 | -84.6 | 0 | 0 | 0 | 112 | L842 Y854 L869 E870 M871 A884 A885 V888 | L842-F862 HydrophobicContact CD2-CZ 4.41Å; Y854-F862 HydrophobicContact CD1-CZ 4.44Å; Y854-F862 AromaticContact CD2-CD2 3.88Å; Y854-F862 HydrophobicContact CD2-CD2 3.88Å; Y854-F862 AromaticContact CD2-CE2 3.33Å; Y854-F862 HydrophobicContact CD2-CE2 3.33Å; Y854-F862 AromaticContact CD2-CZ 3.97Å; Y854-F862 HydrophobicContact CD2-CZ 3.97Å; Y854-F862 HydrophobicContact CE2-CE2 4.1Å; Y854-F862 HydrophobicContact CG-CD2 4.27Å; Y854-F862 AromaticContact CG-CE2 3.6Å; Y854-F862 HydrophobicContact CG-CE2 3.6Å; Y854-F862 AromaticContact CG-CZ 3.74Å; Y854-F862 HydrophobicContact CG-CZ 3.74Å; Y854-F862 PolarHBondContact N-O 2.85Å; Y854-F862 PolarHBondContact O-N 3.12Å; F862-L869 HydrophobicContact CD2-CB 4.19Å; F862-L869 HydrophobicContact CD2-CD1 4.48Å; F862-L869 HydrophobicContact CD2-CD2 4.14Å; F862-L869 HydrophobicContact CE2-CD1 4.25Å; F862-L869 HydrophobicContact CE2-CD2 4.16Å; F862-E870 CarbonylContact C-O 3.57Å; F862-E870 WeakPolarHBondContact CA-O 3.37Å; F862-E870 WeakPolarHBondContact CB-O 3.11Å; F862-M871 HydrophobicContact CB-SD 4.09Å; F862-A884 HydrophobicContact CE1-CB 3.85Å; F862-A885 HydrophobicContact CD1-CB 3.76Å; F862-A885 HydrophobicContact CE1-CB 3.91Å; F862-A885 HydrophobicContact CG-CB 4.1Å; F862-A885 HydrophobicContact CZ-CB 4.35Å; F862-V888 HydrophobicContact CE2-CB 4.34Å; F862-V888 HydrophobicContact CE2-CG1 4.33Å; F862-V888 HydrophobicContact CE2-CG2 4.35Å; F862-V888 HydrophobicContact CZ-CB 4.14Å; F862-V888 HydrophobicContact CZ-CG2 3.84Å |
| 863 | L | 91 | Very high | 88.8 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119.5 | 167.9 | -68.5 | 165.1 | 0 | 0 | 0 | 108.3 | F847 A852 L853 E870 | F847-L863 HydrophobicContact CE2-CD2 4.17Å; A852-L863 WeakPolarHBondContact O-CA 3.32Å; L853-L863 HydrophobicContact CB-CD2 3.83Å; L853-L863 HydrophobicContact CD1-CD2 3.91Å; L853-L863 HydrophobicContact CD1-CG 4.31Å; L853-L863 HydrophobicContact CG-CD2 4.43Å; L863-E870 HydrophobicContact CB-CB 4.43Å; L863-E870 PolarHBondContact N-O 2.97Å; L863-E870 PolarHBondContact O-N 3.24Å |
| 864 | D | 91.1 | Very high | 88.3 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.5 | 163.7 | -168 | -19.4 | 0 | 0 | 0 | 109.2 | T851 A852 Y854 L866 L869 Y893 | T851-D864 CarbonylContact C-O 3.57Å; T851-D864 VanDerWaalsContact CA-O 3.24Å; T851-D864 WeakPolarHBondContact CA-O 3.42Å; T851-D864 WeakPolarHBondContact CB-O 3.31Å; A852-D864 HydrophobicContact CB-CB 4.39Å; A852-D864 PolarHBondContact N-O 3Å; A852-D864 PolarHBondContact O-N 3.19Å; Y854-D864 HydrophobicContact CD2-CB 3.95Å; Y854-D864 HydrophobicContact CE2-CB 3.63Å; D864-L866 WeakPolarHBondContact OD1-CA 3.24Å; D864-L866 PolarHBondContact OD1-N 3.48Å; D864-L869 HydrophobicContact CB-CD2 3.64Å; D864-L869 WeakPolarHBondContact OD2-CD2 3.25Å; D864-Y893 VanDerWaalsContact CG-OH 3.24Å; D864-Y893 PolarHBondContact OD1-OH 3.26Å; D864-Y893 WeakPolarHBondContact OD2-CE2 3.5Å; D864-Y893 PolarHBondContact OD2-OH 2.9Å |
| 865 | R | 85 | Confident | 88.2 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 26% | 0.26 | 33% | 0.328 | S | S | . | . | trans | -118.1 | 21.3 | 177.8 | -53.9 | -169.1 | 177.2 | -88.9 | 5.2 | 112.4 | T851 Y867 C868 E870 | T851-R865 HydrophobicContact CG2-CB 4.42Å; T851-R865 HydrophobicContact CG2-CG 4.02Å; R865-Y867 HydrophobicContact CB-CE1 4.18Å; R865-Y867 WeakPolarHBondContact O-CD1 3.45Å; R865-Y867 WeakPolarHBondContact O-CE1 3.41Å; R865-Y867 PolarHBondContact O-N 3.49Å; R865-C868 PolarHBondContact N-O 2.97Å; R865-E870 IonicContact CZ-OE2 3.38Å; R865-E870 IonicContact NE-OE2 2.65Å; R865-E870 PolarHBondContact NE-OE2 3.37Å; R865-E870 IonicContact NH2-OE2 3.64Å; R865-E870 PolarHBondContact NH2-OE2 3.42Å | ||
| 866 | L | 72.9 | Confident | 87.9 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 66.8 | -38.1 | -174 | -60.2 | 157 | 0 | 0 | 0 | 114.9 | R850 D864 | R850-L866 HydrophobicContact CB-CD1 4.13Å; D864-L866 WeakPolarHBondContact OD1-CA 3.24Å; D864-L866 PolarHBondContact OD1-N 3.48Å |
| 867 | Y | 80.2 | Confident | 87.8 | Confident | 197 Ų | 197 | 63.9 Ų | 63.9 | 77% | 0.773 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -106 | -5.3 | 176.7 | 60 | -95.2 | 0 | 0 | 0 | 113.6 | R865 | R865-Y867 HydrophobicContact CB-CE1 4.18Å; R865-Y867 WeakPolarHBondContact O-CD1 3.45Å; R865-Y867 WeakPolarHBondContact O-CE1 3.41Å; R865-Y867 PolarHBondContact O-N 3.49Å |
| 868 | C | 87.1 | Confident | 88 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | trans | -157.4 | 140.6 | -179 | -166.2 | 0 | 0 | 0 | 0 | 111.3 | R865 | R865-C868 PolarHBondContact N-O 2.97Š| ||
| 869 | L | 90.9 | Very high | 88.4 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 99.8 | 166.3 | -57.3 | -174.9 | 0 | 0 | 0 | 108.5 | F862 D864 A885 V888 A889 Y893 | F862-L869 HydrophobicContact CD2-CB 4.19Å; F862-L869 HydrophobicContact CD2-CD1 4.48Å; F862-L869 HydrophobicContact CD2-CD2 4.14Å; F862-L869 HydrophobicContact CE2-CD1 4.25Å; F862-L869 HydrophobicContact CE2-CD2 4.16Å; D864-L869 HydrophobicContact CB-CD2 3.64Å; D864-L869 WeakPolarHBondContact OD2-CD2 3.25Å; L869-A885 HydrophobicContact CD1-CB 4.47Å; L869-A885 WeakPolarHBondContact CD1-O 3.41Å; L869-V888 HydrophobicContact CD1-CB 4.27Å; L869-V888 HydrophobicContact CD1-CG1 3.98Å; L869-V888 HydrophobicContact CD2-CG1 4.42Å; L869-A889 HydrophobicContact CD1-CB 3.97Å; L869-Y893 HydrophobicContact CD2-CE2 4.2Å |
| 870 | E | 91.5 | Very high | 88.4 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 112.4 | -177.2 | -179.3 | 176.6 | -147.3 | 0 | 0 | 110.3 | F862 L863 R865 V872 | F862-E870 CarbonylContact C-O 3.57Å; F862-E870 WeakPolarHBondContact CA-O 3.37Å; F862-E870 WeakPolarHBondContact CB-O 3.11Å; L863-E870 HydrophobicContact CB-CB 4.43Å; L863-E870 PolarHBondContact N-O 2.97Å; L863-E870 PolarHBondContact O-N 3.24Å; R865-E870 IonicContact CZ-OE2 3.38Å; R865-E870 IonicContact NE-OE2 2.65Å; R865-E870 PolarHBondContact NE-OE2 3.37Å; R865-E870 IonicContact NH2-OE2 3.64Å; R865-E870 PolarHBondContact NH2-OE2 3.42Å; E870-V872 PolarHBondContact O-N 2.81Å |
| 871 | M | 94.1 | Very high | 88.5 | Confident | 29 Ų | 29 | 57 Ų | 57 | 14% | 0.143 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 130.6 | 175.2 | -61.3 | -57.8 | -57.3 | 0 | 0 | 110.6 | A861 F862 A875 K881 V882 A885 F905 | A861-M871 WeakPolarHBondContact O-CE 3.23Å; F862-M871 HydrophobicContact CB-SD 4.09Å; M871-A875 HydrophobicContact CE-CB 3.83Å; M871-A875 WeakPolarHBondContact CE-O 3.28Å; M871-K881 HydrophobicContact CE-CB 4.06Å; M871-V882 HydrophobicContact CE-CG2 4.02Å; M871-A885 HydrophobicContact SD-CB 3.79Å; M871-F905 HydrophobicContact CG-CE2 3.72Å; M871-F905 HydrophobicContact CG-CZ 3.77Å; M871-F905 HydrophobicContact SD-CE2 4.41Å |
| 872 | V | 91.3 | Very high | 88.6 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 26% | 0.255 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 151.8 | 173.8 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | L853 P860 A861 E870 G874 A875 | L853-V872 HydrophobicContact CD1-CG2 3.81Å; P860-V872 HydrophobicContact CB-CG1 4.37Å; P860-V872 HydrophobicContact CB-CG2 4.39Å; A861-V872 PolarHBondContact O-N 2.99Å; E870-V872 PolarHBondContact O-N 2.81Å; V872-G874 PolarHBondContact O-N 2.86Å; V872-A875 HydrophobicContact CB-CB 4.29Å; V872-A875 WeakPolarHBondContact O-CB 3.32Å; V872-A875 PolarHBondContact O-N 3.22Å |
| 873 | D | 84.4 | Confident | 88.5 | Confident | 167 Ų | 167 | 57.1 Ų | 57.1 | 89% | 0.893 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | 125.8 | 179 | -83 | -41.6 | 0 | 0 | 0 | 112.3 | A875 | D873-A875 PolarHBondContact O-N 3.41Š|
| 874 | G | 83.8 | Confident | 88.5 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -24.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V872 S876 A877 | V872-G874 PolarHBondContact O-N 2.86Å; G874-S876 PolarHBondContact O-N 3.16Å; G874-A877 WeakPolarHBondContact O-CB 3.2Å; G874-A877 PolarHBondContact O-N 3Å; G874-A877 VanDerWaalsContact O-N 3.09Å |
| 875 | A | 89.2 | Confident | 88.6 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -65.8 | -24.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A861 M871 V872 D873 A877 D878 K881 | A861-A875 WeakPolarHBondContact O-CB 3.35Å; M871-A875 HydrophobicContact CE-CB 3.83Å; M871-A875 WeakPolarHBondContact CE-O 3.28Å; V872-A875 HydrophobicContact CB-CB 4.29Å; V872-A875 WeakPolarHBondContact O-CB 3.32Å; V872-A875 PolarHBondContact O-N 3.22Å; D873-A875 PolarHBondContact O-N 3.41Å; A875-A877 PolarHBondContact O-N 3.18Å; A875-A877 VanDerWaalsContact O-N 3.16Å; A875-D878 PolarHBondContact O-N 3.04Å; A875-D878 VanDerWaalsContact O-N 3.15Å; A875-K881 HydrophobicContact CB-CB 4.3Å; A875-K881 HydrophobicContact CB-CD 3.67Å |
| 876 | S | 88 | Confident | 89 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 30% | 0.301 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -63.1 | -13.6 | 173 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | G874 | G874-S876 PolarHBondContact O-N 3.16Š|
| 877 | A | 86.8 | Confident | 89.7 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 60% | 0.595 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -91.4 | -10.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G874 A875 K908 | G874-A877 WeakPolarHBondContact O-CB 3.2Å; G874-A877 PolarHBondContact O-N 3Å; G874-A877 VanDerWaalsContact O-N 3.09Å; A875-A877 PolarHBondContact O-N 3.18Å; A875-A877 VanDerWaalsContact O-N 3.16Å; A877-K908 WeakPolarHBondContact O-CE 3.48Å; A877-K908 PolarHBondContact O-NZ 3.3Å |
| 878 | D | 90.2 | Very high | 90.2 | Very high | 63 Ų | 63 | 38.3 Ų | 38.3 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | trans | -101 | 120.5 | -174.1 | 177.1 | -25.5 | 0 | 0 | 0 | 111.1 | A875 K880 K881 V882 | A875-D878 PolarHBondContact O-N 3.04Å; A875-D878 VanDerWaalsContact O-N 3.15Å; D878-K880 VanDerWaalsContact C-N 3.31Å; D878-K880 PolarHBondContact O-N 3.34Å; D878-K880 WeakPolarHBondContact OD1-CB 3.48Å; D878-K880 PolarHBondContact OD1-N 2.95Å; D878-K881 HydrophobicContact CB-CB 4.01Å; D878-K881 HydrophobicContact CB-CD 3.96Å; D878-K881 HydrophobicContact CB-CG 4.03Å; D878-K881 PolarHBondContact O-N 3.25Å; D878-K881 PolarHBondContact OD1-N 3.05Å; D878-K881 WeakPolarHBondContact OD2-CD 3.5Å; D878-K881 WeakPolarHBondContact OD2-CE 3.47Å; D878-K881 WeakPolarHBondContact OD2-CG 3.35Å; D878-V882 WeakPolarHBondContact O-CG2 3.21Å; D878-V882 PolarHBondContact O-N 2.91Å | ||
| 879 | D | 91.7 | Very high | 90.3 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.7 | -44.2 | -179.1 | -72.3 | 28.9 | 0 | 0 | 0 | 112 | V882 L883 K908 L912 | D879-V882 PolarHBondContact O-N 2.87Å; D879-L883 WeakPolarHBondContact O-CB 3.41Å; D879-L883 WeakPolarHBondContact O-CD1 3.47Å; D879-L883 WeakPolarHBondContact O-CG 3.36Å; D879-L883 PolarHBondContact O-N 3.46Å; D879-K908 WeakPolarHBondContact OD1-CE 3.43Å; D879-K908 IonicContact OD1-NZ 3.73Å; D879-K908 PolarHBondContact OD1-NZ 2.73Å; D879-L912 HydrophobicContact CB-CD2 4.26Å |
| 880 | K | 90.5 | Very high | 90 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.2 | -36.2 | -175 | -165.6 | -176.9 | 171.7 | -177.8 | 0 | 111.2 | I838 V856 D857 D878 A884 | I838-K880 HydrophobicContact CD1-CG 3.89Å; I838-K880 HydrophobicContact CG1-CG 4.08Å; V856-K880 HydrophobicContact CG1-CD 3.81Å; V856-K880 HydrophobicContact CG1-CG 3.99Å; D857-K880 IonicContact OD1-NZ 3.95Å; D857-K880 PolarHBondContact OD1-NZ 2.61Å; D857-K880 IonicContact OD2-NZ 3.72Å; D857-K880 PolarHBondContact OD2-NZ 3.15Å; D878-K880 VanDerWaalsContact C-N 3.31Å; D878-K880 PolarHBondContact O-N 3.34Å; D878-K880 WeakPolarHBondContact OD1-CB 3.48Å; D878-K880 PolarHBondContact OD1-N 2.95Å; K880-A884 WeakPolarHBondContact O-CB 3.2Å; K880-A884 PolarHBondContact O-N 2.88Å |
| 881 | K | 93.2 | Very high | 89.6 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.8 | -39.2 | 175.3 | -65.2 | -178.5 | -177.2 | -165 | 0 | 112.2 | V856 P860 A861 M871 A875 D878 A884 A885 | V856-K881 HydrophobicContact CB-CG 4.41Å; V856-K881 HydrophobicContact CG2-CG 4.47Å; P860-K881 PolarHBondContact O-NZ 3.32Å; A861-K881 HydrophobicContact CB-CB 3.95Å; A861-K881 HydrophobicContact CB-CD 4.11Å; A861-K881 HydrophobicContact CB-CG 3.85Å; M871-K881 HydrophobicContact CE-CB 4.06Å; A875-K881 HydrophobicContact CB-CB 4.3Å; A875-K881 HydrophobicContact CB-CD 3.67Å; D878-K881 HydrophobicContact CB-CB 4.01Å; D878-K881 HydrophobicContact CB-CD 3.96Å; D878-K881 HydrophobicContact CB-CG 4.03Å; D878-K881 PolarHBondContact O-N 3.25Å; D878-K881 PolarHBondContact OD1-N 3.05Å; D878-K881 WeakPolarHBondContact OD2-CD 3.5Å; D878-K881 WeakPolarHBondContact OD2-CE 3.47Å; D878-K881 WeakPolarHBondContact OD2-CG 3.35Å; K881-A884 WeakPolarHBondContact O-CB 3.29Å; K881-A884 PolarHBondContact O-N 3.17Å; K881-A885 PolarHBondContact O-N 2.9Å |
| 882 | V | 93.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.8 | -39.4 | 174.3 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | M871 D878 D879 A884 A885 L886 F905 A909 L912 | M871-V882 HydrophobicContact CE-CG2 4.02Å; D878-V882 WeakPolarHBondContact O-CG2 3.21Å; D878-V882 PolarHBondContact O-N 2.91Å; D879-V882 PolarHBondContact O-N 2.87Å; V882-A884 VanDerWaalsContact C-N 3.32Å; V882-A884 PolarHBondContact O-N 3.41Å; V882-A885 PolarHBondContact O-N 2.76Å; V882-L886 HydrophobicContact CG1-CD1 4.03Å; V882-L886 HydrophobicContact CG1-CG 4.5Å; V882-L886 WeakPolarHBondContact O-CG 3.09Å; V882-L886 PolarHBondContact O-N 3.45Å; V882-F905 HydrophobicContact CG1-CE2 4.13Å; V882-F905 HydrophobicContact CG2-CD2 4.35Å; V882-F905 HydrophobicContact CG2-CE2 3.91Å; V882-A909 HydrophobicContact CG1-CB 4.15Å; V882-L912 HydrophobicContact CB-CD1 3.85Å; V882-L912 HydrophobicContact CG1-CD1 3.69Å |
| 883 | L | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 172.6 | -72.8 | 166.9 | 0 | 0 | 0 | 112.3 | H833 L835 I838 D879 L886 A887 L912 Y916 I918 | H833-L883 HydrophobicContact CB-CD1 4.25Å; L835-L883 HydrophobicContact CD2-CB 4.35Å; L835-L883 HydrophobicContact CD2-CD2 4.25Å; I838-L883 HydrophobicContact CD1-CB 3.71Å; I838-L883 HydrophobicContact CD1-CD1 4.23Å; D879-L883 WeakPolarHBondContact O-CB 3.41Å; D879-L883 WeakPolarHBondContact O-CD1 3.47Å; D879-L883 WeakPolarHBondContact O-CG 3.36Å; D879-L883 PolarHBondContact O-N 3.46Å; L883-L886 PolarHBondContact O-N 3.16Å; L883-A887 VanDerWaalsContact O-CB 3.25Å; L883-A887 WeakPolarHBondContact O-CB 3.13Å; L883-A887 PolarHBondContact O-N 3.27Å; L883-L912 HydrophobicContact CD1-CD2 4.35Å; L883-L912 HydrophobicContact CD2-CB 4.12Å; L883-L912 HydrophobicContact CD2-CD2 4.26Å; L883-L912 HydrophobicContact CG-CD1 4.41Å; L883-L912 HydrophobicContact CG-CD2 4.25Å; L883-Y916 HydrophobicContact CD1-CD2 4.08Å; L883-Y916 HydrophobicContact CD1-CE1 4.14Å; L883-Y916 HydrophobicContact CD1-CE2 3.63Å; L883-Y916 HydrophobicContact CD2-CD1 4.45Å; L883-Y916 HydrophobicContact CD2-CD2 3.54Å; L883-Y916 HydrophobicContact CD2-CE2 3.97Å; L883-Y916 HydrophobicContact CD2-CG 3.83Å; L883-Y916 HydrophobicContact CG-CD2 4.43Å; L883-Y916 HydrophobicContact CG-CE2 4.38Å; L883-I918 HydrophobicContact CD2-CD1 3.75Å |
| 884 | A | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I838 L842 V856 F862 K880 K881 V882 A887 V888 | I838-A884 HydrophobicContact CG2-CB 3.5Å; I838-A884 VanDerWaalsContact CG2-CB 3.5Å; L842-A884 HydrophobicContact CD1-CB 4.04Å; V856-A884 HydrophobicContact CG2-CB 3.59Å; F862-A884 HydrophobicContact CE1-CB 3.85Å; K880-A884 WeakPolarHBondContact O-CB 3.2Å; K880-A884 PolarHBondContact O-N 2.88Å; K881-A884 WeakPolarHBondContact O-CB 3.29Å; K881-A884 PolarHBondContact O-N 3.17Å; V882-A884 VanDerWaalsContact C-N 3.32Å; V882-A884 PolarHBondContact O-N 3.41Å; A884-A887 PolarHBondContact O-N 3.16Å; A884-V888 PolarHBondContact O-N 2.69Å |
| 885 | A | 92.9 | Very high | 88 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F862 L869 M871 K881 V882 A887 V888 A889 | F862-A885 HydrophobicContact CD1-CB 3.76Å; F862-A885 HydrophobicContact CE1-CB 3.91Å; F862-A885 HydrophobicContact CG-CB 4.1Å; F862-A885 HydrophobicContact CZ-CB 4.35Å; L869-A885 HydrophobicContact CD1-CB 4.47Å; L869-A885 WeakPolarHBondContact CD1-O 3.41Å; M871-A885 HydrophobicContact SD-CB 3.79Å; K881-A885 PolarHBondContact O-N 2.9Å; V882-A885 PolarHBondContact O-N 2.76Å; A885-A887 VanDerWaalsContact C-N 3.35Å; A885-A887 PolarHBondContact O-N 3.34Å; A885-V888 PolarHBondContact O-N 2.81Å; A885-A889 WeakPolarHBondContact O-CB 3.5Å; A885-A889 PolarHBondContact O-N 2.96Å |
| 886 | L | 92.1 | Very high | 87.9 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.8 | -70.8 | 168.5 | 0 | 0 | 0 | 112.3 | V882 L883 T890 I897 L912 I913 I918 | V882-L886 HydrophobicContact CG1-CD1 4.03Å; V882-L886 HydrophobicContact CG1-CG 4.5Å; V882-L886 WeakPolarHBondContact O-CG 3.09Å; V882-L886 PolarHBondContact O-N 3.45Å; L883-L886 PolarHBondContact O-N 3.16Å; L886-T890 WeakPolarHBondContact O-CB 3.38Å; L886-T890 PolarHBondContact O-N 2.98Å; L886-T890 PolarHBondContact O-OG1 2.85Å; L886-I897 HydrophobicContact CD2-CD1 3.66Å; L886-L912 HydrophobicContact CD1-CB 4.33Å; L886-I913 HydrophobicContact CD1-CG1 3.95Å; L886-I913 HydrophobicContact CD2-CD1 3.95Å; L886-I913 HydrophobicContact CD2-CG1 4.01Å; L886-I918 HydrophobicContact CB-CD1 4.08Å; L886-I918 HydrophobicContact CD1-CD1 4.09Å |
| 887 | A | 89.2 | Confident | 87.9 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L835 L839 L883 A884 A885 T890 N891 | L835-A887 HydrophobicContact CD2-CB 4.1Å; L839-A887 HydrophobicContact CD1-CB 4.05Å; L839-A887 HydrophobicContact CD2-CB 3.84Å; L839-A887 HydrophobicContact CG-CB 3.87Å; L883-A887 VanDerWaalsContact O-CB 3.25Å; L883-A887 WeakPolarHBondContact O-CB 3.13Å; L883-A887 PolarHBondContact O-N 3.27Å; A884-A887 PolarHBondContact O-N 3.16Å; A885-A887 VanDerWaalsContact C-N 3.35Å; A885-A887 PolarHBondContact O-N 3.34Å; A887-T890 PolarHBondContact O-N 2.98Å; A887-N891 WeakPolarHBondContact O-CB 3.47Å; A887-N891 PolarHBondContact O-N 3.35Å |
| 888 | V | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 174.2 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | L839 L842 F862 L869 A884 A885 T890 N891 F892 Y893 | L839-V888 HydrophobicContact CD2-CG2 4.21Å; L842-V888 HydrophobicContact CD2-CG2 3.6Å; F862-V888 HydrophobicContact CE2-CB 4.34Å; F862-V888 HydrophobicContact CE2-CG1 4.33Å; F862-V888 HydrophobicContact CE2-CG2 4.35Å; F862-V888 HydrophobicContact CZ-CB 4.14Å; F862-V888 HydrophobicContact CZ-CG2 3.84Å; L869-V888 HydrophobicContact CD1-CB 4.27Å; L869-V888 HydrophobicContact CD1-CG1 3.98Å; L869-V888 HydrophobicContact CD2-CG1 4.42Å; A884-V888 PolarHBondContact O-N 2.69Å; A885-V888 PolarHBondContact O-N 2.81Å; V888-T890 VanDerWaalsContact C-N 3.28Å; V888-T890 PolarHBondContact O-N 3.45Å; V888-N891 PolarHBondContact O-N 3.19Å; V888-F892 HydrophobicContact CB-CD2 4.28Å; V888-F892 HydrophobicContact CG1-CD2 3.99Å; V888-F892 HydrophobicContact CG2-CD2 4.34Å; V888-F892 HydrophobicContact CG2-CE2 4.36Å; V888-F892 PolarHBondContact O-N 3.31Å; V888-Y893 HydrophobicContact CG1-CD2 4.29Å; V888-Y893 HydrophobicContact CG1-CE2 4.07Å |
| 889 | A | 89.5 | Confident | 88.2 | Confident | 10 Ų | 10 | 36 Ų | 36 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -32.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L869 A885 Y893 G895 I897 | L869-A889 HydrophobicContact CD1-CB 3.97Å; A885-A889 WeakPolarHBondContact O-CB 3.5Å; A885-A889 PolarHBondContact O-N 2.96Å; A889-Y893 CarbonylContact O-C 3.57Å; A889-Y893 PolarHBondContact O-N 3.44Å; A889-G895 WeakPolarHBondContact O-CA 3.47Å; A889-G895 PolarHBondContact O-N 2.88Å; A889-I897 HydrophobicContact CB-CG2 3.74Å |
| 890 | T | 85.6 | Confident | 88.1 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.7 | -44.4 | 176.7 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | L886 A887 V888 I918 V920 | L886-T890 WeakPolarHBondContact O-CB 3.38Å; L886-T890 PolarHBondContact O-N 2.98Å; L886-T890 PolarHBondContact O-OG1 2.85Å; A887-T890 PolarHBondContact O-N 2.98Å; V888-T890 VanDerWaalsContact C-N 3.28Å; V888-T890 PolarHBondContact O-N 3.45Å; T890-I918 WeakPolarHBondContact OG1-CG2 3.5Å; T890-V920 VanDerWaalsContact OG1-CG1 3.28Å; T890-V920 WeakPolarHBondContact OG1-CG1 3.45Å |
| 891 | N | 82.7 | Confident | 87.9 | Confident | 98 Ų | 98 | 37.4 Ų | 37.4 | 52% | 0.524 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -89.7 | -29.2 | -169.7 | -71.8 | 9.5 | 0 | 0 | 0 | 114.6 | L839 A887 V888 | L839-N891 WeakPolarHBondContact CD1-ND2 3.47Å; A887-N891 WeakPolarHBondContact O-CB 3.47Å; A887-N891 PolarHBondContact O-N 3.35Å; V888-N891 PolarHBondContact O-N 3.19Å |
| 892 | F | 83.9 | Confident | 87.6 | Confident | 141 Ų | 141 | 39.5 Ų | 39.5 | 62% | 0.618 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -22.4 | -176.6 | -57.8 | -76.4 | 0 | 0 | 0 | 113.6 | L839 V888 | L839-F892 HydrophobicContact CD2-CE2 4.49Å; V888-F892 HydrophobicContact CB-CD2 4.28Å; V888-F892 HydrophobicContact CG1-CD2 3.99Å; V888-F892 HydrophobicContact CG2-CD2 4.34Å; V888-F892 HydrophobicContact CG2-CE2 4.36Å; V888-F892 PolarHBondContact O-N 3.31Å |
| 893 | Y | 83.2 | Confident | 87.2 | Confident | 96 Ų | 96 | 45 Ų | 45 | 38% | 0.376 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -119.3 | 26.7 | -175.2 | -61.7 | -71.8 | 0 | 0 | 0 | 113.6 | D864 L869 V888 A889 G895 | D864-Y893 VanDerWaalsContact CG-OH 3.24Å; D864-Y893 PolarHBondContact OD1-OH 3.26Å; D864-Y893 WeakPolarHBondContact OD2-CE2 3.5Å; D864-Y893 PolarHBondContact OD2-OH 2.9Å; L869-Y893 HydrophobicContact CD2-CE2 4.2Å; V888-Y893 HydrophobicContact CG1-CD2 4.29Å; V888-Y893 HydrophobicContact CG1-CE2 4.07Å; A889-Y893 CarbonylContact O-C 3.57Å; A889-Y893 PolarHBondContact O-N 3.44Å; Y893-G895 PolarHBondContact O-N 2.91Å |
| 894 | G | 74.3 | Confident | 87 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 61% | 0.608 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 7.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | V896 | G894-V896 VanDerWaalsContact C-N 3.25Å; G894-V896 PolarHBondContact O-N 3.21Å |
| 895 | G | 77.9 | Confident | 87 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 10.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | A889 Y893 V920 R921 | A889-G895 WeakPolarHBondContact O-CA 3.47Å; A889-G895 PolarHBondContact O-N 2.88Å; Y893-G895 PolarHBondContact O-N 2.91Å; G895-V920 CarbonylContact O-C 3.52Å; G895-V920 VanDerWaalsContact O-CA 3.26Å; G895-V920 WeakPolarHBondContact O-CA 3.3Å; G895-V920 WeakPolarHBondContact O-CB 3.44Å; G895-R921 PolarHBondContact O-N 2.73Å |
| 896 | V | 87.1 | Confident | 87 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.327 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 101.1 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | G894 R921 K923 | G894-V896 VanDerWaalsContact C-N 3.25Å; G894-V896 PolarHBondContact O-N 3.21Å; V896-R921 WeakPolarHBondContact CA-O 3.34Å; V896-R921 HydrophobicContact CG2-CB 4.39Å; V896-K923 HydrophobicContact CG1-CB 4.4Å |
| 897 | I | 89.3 | Confident | 86.9 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 156.8 | -167.7 | 69.9 | 171.9 | 0 | 0 | 0 | 113.9 | L886 A889 L899 I913 V920 R921 M922 K923 | L886-I897 HydrophobicContact CD2-CD1 3.66Å; A889-I897 HydrophobicContact CB-CG2 3.74Å; I897-L899 HydrophobicContact CD1-CD2 4.09Å; I897-L899 HydrophobicContact CD1-CG 4.47Å; I897-I913 HydrophobicContact CD1-CD1 4.48Å; I897-V920 HydrophobicContact CD1-CB 4.29Å; I897-V920 HydrophobicContact CD1-CG1 4.2Å; I897-V920 HydrophobicContact CD1-CG2 4.38Å; I897-V920 HydrophobicContact CG1-CB 4.35Å; I897-R921 PolarHBondContact N-O 2.71Å; I897-M922 HydrophobicContact CD1-CE 3.83Å; I897-M922 HydrophobicContact CG1-CE 3.49Å; I897-M922 VanDerWaalsContact CG1-CE 3.49Å; I897-M922 HydrophobicContact CG1-SD 4.42Å; I897-M922 CarbonylContact O-C 3.56Å; I897-M922 WeakPolarHBondContact O-CA 3.43Å; I897-K923 PolarHBondContact O-N 3.03Å |
| 898 | E | 90.9 | Very high | 87 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -124.5 | 118.1 | 174.3 | -172.9 | 175.5 | 153.8 | 0 | 0 | 109.2 | T900 K923 L924 | E898-T900 HydrophobicContact CG-CG2 4.49Å; E898-T900 PolarHBondContact O-N 2.89Å; E898-K923 HydrophobicContact CB-CB 4.23Å; E898-K923 HydrophobicContact CB-CD 4.3Å; E898-K923 WeakPolarHBondContact OE2-CD 3.46Å; E898-K923 WeakPolarHBondContact OE2-CE 3.5Å; E898-K923 IonicContact OE2-NZ 3.99Å; E898-K923 PolarHBondContact OE2-NZ 2.91Å; E898-L924 HydrophobicContact CG-CD1 3.81Å; E898-L924 HydrophobicContact CG-CG 3.98Å | ||
| 899 | L | 91.7 | Very high | 87.3 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | trans | -87.1 | 101.7 | -177 | -65.5 | 172.5 | 0 | 0 | 0 | 110.4 | I897 K906 A909 M910 I913 M922 Q927 | I897-L899 HydrophobicContact CD1-CD2 4.09Å; I897-L899 HydrophobicContact CD1-CG 4.47Å; L899-K906 HydrophobicContact CB-CB 4.48Å; L899-K906 HydrophobicContact CB-CG 4.09Å; L899-K906 WeakPolarHBondContact O-CD 3.32Å; L899-K906 WeakPolarHBondContact O-CE 3.45Å; L899-A909 HydrophobicContact CD1-CB 3.96Å; L899-A909 HydrophobicContact CD2-CB 3.91Å; L899-M910 HydrophobicContact CD1-CE 3.99Å; L899-M910 HydrophobicContact CD1-CG 3.78Å; L899-I913 HydrophobicContact CD1-CD1 4.45Å; L899-M922 HydrophobicContact CD1-SD 3.92Å; L899-M922 HydrophobicContact CG-SD 4.37Å; L899-Q927 PolarHBondContact O-NE2 3.03Å | ||
| 900 | T | 89.1 | Confident | 87.4 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | trans | -90.7 | -168.8 | 177 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | E898 F905 K906 | E898-T900 HydrophobicContact CG-CG2 4.49Å; E898-T900 PolarHBondContact O-N 2.89Å; T900-F905 WeakPolarHBondContact O-CD1 3.46Å; T900-K906 WeakPolarHBondContact O-CE 3.4Å | ||
| 901 | G | 86.9 | Confident | 87.7 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 58% | 0.577 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 78.5 | -151.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | K906 | G901-K906 WeakPolarHBondContact O-CE 3.47Å; G901-K906 PolarHBondContact O-NZ 3.47Å |
| 902 | S | 86.6 | Confident | 88.2 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | trans | -76.6 | 149.1 | -175.5 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | A904 F905 K906 | S902-A904 PolarHBondContact O-N 3.49Å; S902-F905 WeakPolarHBondContact O-CB 3.41Å; S902-F905 PolarHBondContact O-N 2.92Å; S902-F905 PolarHBondContact OG-N 3Å; S902-K906 WeakPolarHBondContact O-CG 3.46Å; S902-K906 PolarHBondContact O-N 3.27Å | ||
| 903 | D | 85 | Confident | 88.6 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.8 | -27.4 | -178 | -60.3 | -32.7 | 0 | 0 | 0 | 112.8 | K906 Q907 | D903-K906 PolarHBondContact O-N 2.83Å; D903-K906 IonicContact OD1-NZ 3.13Å; D903-K906 PolarHBondContact OD1-NZ 3.25Å; D903-Q907 VanDerWaalsContact O-CB 3.26Å; D903-Q907 WeakPolarHBondContact O-CB 3.41Å; D903-Q907 PolarHBondContact O-N 3.43Å |
| 904 | A | 87.7 | Confident | 89 | Confident | 72 Ų | 72 | 47.4 Ų | 47.4 | 60% | 0.595 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | S902 K908 | S902-A904 PolarHBondContact O-N 3.49Å; A904-K908 VanDerWaalsContact O-CB 3.26Å; A904-K908 WeakPolarHBondContact O-CB 3.16Å; A904-K908 PolarHBondContact O-N 3.35Å |
| 905 | F | 92.4 | Very high | 89.7 | Confident | 33 Ų | 33 | 48 Ų | 48 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 174.5 | 168.8 | -109.2 | 0 | 0 | 0 | 111.5 | M871 V882 T900 S902 Q907 K908 A909 | M871-F905 HydrophobicContact CG-CE2 3.72Å; M871-F905 HydrophobicContact CG-CZ 3.77Å; M871-F905 HydrophobicContact SD-CE2 4.41Å; V882-F905 HydrophobicContact CG1-CE2 4.13Å; V882-F905 HydrophobicContact CG2-CD2 4.35Å; V882-F905 HydrophobicContact CG2-CE2 3.91Å; T900-F905 WeakPolarHBondContact O-CD1 3.46Å; S902-F905 WeakPolarHBondContact O-CB 3.41Å; S902-F905 PolarHBondContact O-N 2.92Å; S902-F905 PolarHBondContact OG-N 3Å; F905-Q907 PolarHBondContact O-N 3.36Å; F905-K908 PolarHBondContact O-N 3.42Å; F905-A909 WeakPolarHBondContact O-CB 3.38Å; F905-A909 PolarHBondContact O-N 3.4Å |
| 906 | K | 92.3 | Very high | 90 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 176.1 | -62.9 | 171.7 | -162.7 | 145.6 | 0 | 111.4 | L899 T900 G901 S902 D903 A909 M910 | L899-K906 HydrophobicContact CB-CB 4.48Å; L899-K906 HydrophobicContact CB-CG 4.09Å; L899-K906 WeakPolarHBondContact O-CD 3.32Å; L899-K906 WeakPolarHBondContact O-CE 3.45Å; T900-K906 WeakPolarHBondContact O-CE 3.4Å; G901-K906 WeakPolarHBondContact O-CE 3.47Å; G901-K906 PolarHBondContact O-NZ 3.47Å; S902-K906 WeakPolarHBondContact O-CG 3.46Å; S902-K906 PolarHBondContact O-N 3.27Å; D903-K906 PolarHBondContact O-N 2.83Å; D903-K906 IonicContact OD1-NZ 3.13Å; D903-K906 PolarHBondContact OD1-NZ 3.25Å; K906-A909 PolarHBondContact O-N 3.09Å; K906-M910 WeakPolarHBondContact O-CB 3.24Å; K906-M910 VanDerWaalsContact O-CG 3.25Å; K906-M910 WeakPolarHBondContact O-CG 3.49Å; K906-M910 PolarHBondContact O-N 2.93Å |
| 907 | Q | 90.6 | Very high | 90 | Very high | 110 Ų | 110 | 52.9 Ų | 52.9 | 51% | 0.514 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 179.6 | -172.1 | 174.6 | 11.2 | 0 | 0 | 111.8 | D903 F905 M910 Q911 | D903-Q907 VanDerWaalsContact O-CB 3.26Å; D903-Q907 WeakPolarHBondContact O-CB 3.41Å; D903-Q907 PolarHBondContact O-N 3.43Å; F905-Q907 PolarHBondContact O-N 3.36Å; Q907-M910 PolarHBondContact O-N 3.05Å; Q907-Q911 WeakPolarHBondContact O-CB 3.41Å; Q907-Q911 VanDerWaalsContact O-CG 3.3Å; Q907-Q911 WeakPolarHBondContact O-CG 3.41Å; Q907-Q911 PolarHBondContact O-N 3.28Å |
| 908 | K | 91.9 | Very high | 89.8 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.4 | -178.1 | 179.7 | 175.8 | 112.4 | 0 | 112 | A877 D879 A904 F905 Q911 L912 | A877-K908 WeakPolarHBondContact O-CE 3.48Å; A877-K908 PolarHBondContact O-NZ 3.3Å; D879-K908 WeakPolarHBondContact OD1-CE 3.43Å; D879-K908 IonicContact OD1-NZ 3.73Å; D879-K908 PolarHBondContact OD1-NZ 2.73Å; A904-K908 VanDerWaalsContact O-CB 3.26Å; A904-K908 WeakPolarHBondContact O-CB 3.16Å; A904-K908 PolarHBondContact O-N 3.35Å; F905-K908 PolarHBondContact O-N 3.42Å; K908-Q911 PolarHBondContact O-N 2.91Å; K908-L912 HydrophobicContact CG-CD1 4.2Å; K908-L912 WeakPolarHBondContact O-CG 3.4Å; K908-L912 PolarHBondContact O-N 2.91Å |
| 909 | A | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V882 L899 F905 K906 Q911 L912 I913 | V882-A909 HydrophobicContact CG1-CB 4.15Å; L899-A909 HydrophobicContact CD1-CB 3.96Å; L899-A909 HydrophobicContact CD2-CB 3.91Å; F905-A909 WeakPolarHBondContact O-CB 3.38Å; F905-A909 PolarHBondContact O-N 3.4Å; K906-A909 PolarHBondContact O-N 3.09Å; A909-Q911 PolarHBondContact O-N 3.01Å; A909-L912 PolarHBondContact O-N 3.27Å; A909-I913 WeakPolarHBondContact O-CD1 3.24Å; A909-I913 VanDerWaalsContact O-CG1 3.24Å; A909-I913 WeakPolarHBondContact O-CG1 3.46Å; A909-I913 PolarHBondContact O-N 3.44Å |
| 910 | M | 92.7 | Very high | 89.1 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.059 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 174.4 | -70.4 | 175.1 | -175.9 | 0 | 0 | 112.8 | L899 K906 Q907 V914 Q927 A930 L931 I934 | L899-M910 HydrophobicContact CD1-CE 3.99Å; L899-M910 HydrophobicContact CD1-CG 3.78Å; K906-M910 WeakPolarHBondContact O-CB 3.24Å; K906-M910 VanDerWaalsContact O-CG 3.25Å; K906-M910 WeakPolarHBondContact O-CG 3.49Å; K906-M910 PolarHBondContact O-N 2.93Å; Q907-M910 PolarHBondContact O-N 3.05Å; M910-V914 WeakPolarHBondContact O-CG2 3.16Å; M910-V914 PolarHBondContact O-N 3.16Å; M910-Q927 HydrophobicContact CE-CB 3.71Å; M910-Q927 HydrophobicContact CE-CG 3.81Å; M910-A930 HydrophobicContact CE-CB 4.14Å; M910-A930 HydrophobicContact SD-CB 3.72Å; M910-L931 HydrophobicContact CB-CD1 3.92Å; M910-L931 HydrophobicContact CG-CD1 4.07Å; M910-I934 HydrophobicContact CB-CD1 3.61Å; M910-I934 HydrophobicContact SD-CD1 4.27Å |
| 911 | Q | 91.7 | Very high | 88.9 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.7 | -76.9 | 172.7 | -12.9 | 0 | 0 | 111.5 | Q907 K908 A909 I913 V914 E915 I934 | Q907-Q911 WeakPolarHBondContact O-CB 3.41Å; Q907-Q911 VanDerWaalsContact O-CG 3.3Å; Q907-Q911 WeakPolarHBondContact O-CG 3.41Å; Q907-Q911 PolarHBondContact O-N 3.28Å; K908-Q911 PolarHBondContact O-N 2.91Å; A909-Q911 PolarHBondContact O-N 3.01Å; Q911-I913 PolarHBondContact O-N 3.08Å; Q911-V914 CarbonylContact O-C 3.58Å; Q911-V914 PolarHBondContact O-N 2.75Å; Q911-E915 VanDerWaalsContact O-CB 3.3Å; Q911-E915 WeakPolarHBondContact O-CB 3.34Å; Q911-E915 PolarHBondContact O-N 3.25Å; Q911-I934 HydrophobicContact CG-CG2 4.43Å |
| 912 | L | 92.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -40.2 | 177.6 | -72.7 | 169.5 | 0 | 0 | 0 | 112.8 | D879 V882 L883 L886 K908 A909 V914 E915 Y916 | D879-L912 HydrophobicContact CB-CD2 4.26Å; V882-L912 HydrophobicContact CB-CD1 3.85Å; V882-L912 HydrophobicContact CG1-CD1 3.69Å; L883-L912 HydrophobicContact CD1-CD2 4.35Å; L883-L912 HydrophobicContact CD2-CB 4.12Å; L883-L912 HydrophobicContact CD2-CD2 4.26Å; L883-L912 HydrophobicContact CG-CD1 4.41Å; L883-L912 HydrophobicContact CG-CD2 4.25Å; L886-L912 HydrophobicContact CD1-CB 4.33Å; K908-L912 HydrophobicContact CG-CD1 4.2Å; K908-L912 WeakPolarHBondContact O-CG 3.4Å; K908-L912 PolarHBondContact O-N 2.91Å; A909-L912 PolarHBondContact O-N 3.27Å; L912-V914 VanDerWaalsContact C-N 3.27Å; L912-V914 PolarHBondContact O-N 3.15Å; L912-E915 PolarHBondContact O-N 2.94Å; L912-Y916 HydrophobicContact CD2-CD2 4.13Å; L912-Y916 HydrophobicContact CD2-CE2 3.79Å; L912-Y916 WeakPolarHBondContact O-CD2 3.37Å; L912-Y916 PolarHBondContact O-N 3.44Å |
| 913 | I | 92.2 | Very high | 89 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.4 | -42.4 | 173.8 | -70.4 | 159.4 | 0 | 0 | 0 | 111.1 | L886 I897 L899 A909 Q911 D917 I918 V920 M922 L931 | L886-I913 HydrophobicContact CD1-CG1 3.95Å; L886-I913 HydrophobicContact CD2-CD1 3.95Å; L886-I913 HydrophobicContact CD2-CG1 4.01Å; I897-I913 HydrophobicContact CD1-CD1 4.48Å; L899-I913 HydrophobicContact CD1-CD1 4.45Å; A909-I913 WeakPolarHBondContact O-CD1 3.24Å; A909-I913 VanDerWaalsContact O-CG1 3.24Å; A909-I913 WeakPolarHBondContact O-CG1 3.46Å; A909-I913 PolarHBondContact O-N 3.44Å; Q911-I913 PolarHBondContact O-N 3.08Å; I913-D917 PolarHBondContact O-N 2.88Å; I913-I918 HydrophobicContact CG2-CB 4.4Å; I913-I918 PolarHBondContact O-N 3.17Å; I913-V920 HydrophobicContact CB-CG2 4.31Å; I913-V920 HydrophobicContact CD1-CG2 3.64Å; I913-V920 HydrophobicContact CG1-CG2 3.72Å; I913-V920 HydrophobicContact CG2-CG2 3.57Å; I913-M922 HydrophobicContact CD1-CE 3.89Å; I913-M922 HydrophobicContact CD1-SD 4.45Å; I913-L931 HydrophobicContact CB-CD1 4.04Å; I913-L931 HydrophobicContact CD1-CD1 4.36Å; I913-L931 HydrophobicContact CG2-CD1 3.79Å; I913-L931 HydrophobicContact CG2-CD2 4.18Å |
| 914 | V | 91.2 | Very high | 89.1 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -84.7 | -15.8 | -179.5 | -178 | 0 | 0 | 0 | 0 | 112.7 | M910 Q911 L912 L931 I934 R935 K938 | M910-V914 WeakPolarHBondContact O-CG2 3.16Å; M910-V914 PolarHBondContact O-N 3.16Å; Q911-V914 CarbonylContact O-C 3.58Å; Q911-V914 PolarHBondContact O-N 2.75Å; L912-V914 VanDerWaalsContact C-N 3.27Å; L912-V914 PolarHBondContact O-N 3.15Å; V914-L931 HydrophobicContact CG2-CD1 3.75Å; V914-L931 HydrophobicContact CG2-CG 4.18Å; V914-I934 HydrophobicContact CB-CG2 4.13Å; V914-I934 HydrophobicContact CG1-CG2 4.29Å; V914-I934 HydrophobicContact CG2-CG2 4.04Å; V914-R935 HydrophobicContact CG1-CG 3.89Å; V914-R935 HydrophobicContact CG2-CG 3.75Å; V914-K938 HydrophobicContact CG1-CB 4.26Å; V914-K938 HydrophobicContact CG1-CD 3.99Å |
| 915 | E | 88.8 | Confident | 88.9 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -79.5 | -37.9 | 173.2 | -170.5 | 84.7 | -108.6 | 0 | 0 | 112.5 | Q911 L912 K938 | Q911-E915 VanDerWaalsContact O-CB 3.3Å; Q911-E915 WeakPolarHBondContact O-CB 3.34Å; Q911-E915 PolarHBondContact O-N 3.25Å; L912-E915 PolarHBondContact O-N 2.94Å; E915-K938 IonicContact OE1-NZ 3.89Å; E915-K938 PolarHBondContact OE1-NZ 2.99Å; E915-K938 IonicContact OE2-NZ 2.76Å; E915-K938 PolarHBondContact OE2-NZ 3.17Å |
| 916 | Y | 86.1 | Confident | 88.6 | Confident | 35 Ų | 35 | 59 Ų | 59 | 14% | 0.137 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 8 | -172.9 | -72 | -91.1 | 0 | 0 | 0 | 114 | R832 H833 L883 L912 I918 | R832-Y916 HydrophobicContact CB-CE1 4.49Å; H833-Y916 HydrophobicContact CB-CE1 4.24Å; H833-Y916 PolarHBondContact N-OH 2.84Å; H833-Y916 WeakPolarHBondContact O-CE1 3.07Å; L883-Y916 HydrophobicContact CD1-CD2 4.08Å; L883-Y916 HydrophobicContact CD1-CE1 4.14Å; L883-Y916 HydrophobicContact CD1-CE2 3.63Å; L883-Y916 HydrophobicContact CD2-CD1 4.45Å; L883-Y916 HydrophobicContact CD2-CD2 3.54Å; L883-Y916 HydrophobicContact CD2-CE2 3.97Å; L883-Y916 HydrophobicContact CD2-CG 3.83Å; L883-Y916 HydrophobicContact CG-CD2 4.43Å; L883-Y916 HydrophobicContact CG-CE2 4.38Å; L912-Y916 HydrophobicContact CD2-CD2 4.13Å; L912-Y916 HydrophobicContact CD2-CE2 3.79Å; L912-Y916 WeakPolarHBondContact O-CD2 3.37Å; L912-Y916 PolarHBondContact O-N 3.44Å; Y916-I918 VanDerWaalsContact C-N 3.3Å; Y916-I918 PolarHBondContact O-N 3.15Å |
| 917 | D | 85.4 | Confident | 88.6 | Confident | 123 Ų | 123 | 57.7 Ų | 57.7 | 66% | 0.658 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 45.4 | -176.6 | -164.9 | 35.9 | 0 | 0 | 0 | 113.7 | I913 K919 | I913-D917 PolarHBondContact O-N 2.88Å; D917-K919 PolarHBondContact O-N 3.24Å |
| 918 | I | 86.5 | Confident | 88.6 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | trans | -75.6 | 123.4 | -175.6 | -50 | -177.8 | 0 | 0 | 0 | 109.2 | L835 L883 L886 T890 I913 Y916 V920 | L835-I918 HydrophobicContact CD1-CG1 4.16Å; L835-I918 HydrophobicContact CD2-CD1 4.32Å; L883-I918 HydrophobicContact CD2-CD1 3.75Å; L886-I918 HydrophobicContact CB-CD1 4.08Å; L886-I918 HydrophobicContact CD1-CD1 4.09Å; T890-I918 WeakPolarHBondContact OG1-CG2 3.5Å; I913-I918 HydrophobicContact CG2-CB 4.4Å; I913-I918 PolarHBondContact O-N 3.17Å; Y916-I918 VanDerWaalsContact C-N 3.3Å; Y916-I918 PolarHBondContact O-N 3.15Å; I918-V920 HydrophobicContact CG2-CG1 4.12Å; I918-V920 HydrophobicContact CG2-CG2 4.48Å; I918-V920 PolarHBondContact O-N 2.83Å | ||
| 919 | K | 82.8 | Confident | 88.4 | Confident | 177 Ų | 177 | 56.6 Ų | 56.6 | 77% | 0.77 | 29% | 0.289 | S | S | * | . | trans | -78.5 | 58.7 | -174 | -64.7 | -176.3 | 179.6 | 177.6 | 0 | 113.4 | D917 | D917-K919 PolarHBondContact O-N 3.24Š| ||
| 920 | V | 84.8 | Confident | 88.2 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | trans | -102.2 | 148.6 | 174.4 | -71.5 | 0 | 0 | 0 | 0 | 112.8 | T890 G895 I897 I913 I918 M922 | T890-V920 VanDerWaalsContact OG1-CG1 3.28Å; T890-V920 WeakPolarHBondContact OG1-CG1 3.45Å; G895-V920 CarbonylContact O-C 3.52Å; G895-V920 VanDerWaalsContact O-CA 3.26Å; G895-V920 WeakPolarHBondContact O-CA 3.3Å; G895-V920 WeakPolarHBondContact O-CB 3.44Å; I897-V920 HydrophobicContact CD1-CB 4.29Å; I897-V920 HydrophobicContact CD1-CG1 4.2Å; I897-V920 HydrophobicContact CD1-CG2 4.38Å; I897-V920 HydrophobicContact CG1-CB 4.35Å; I913-V920 HydrophobicContact CB-CG2 4.31Å; I913-V920 HydrophobicContact CD1-CG2 3.64Å; I913-V920 HydrophobicContact CG1-CG2 3.72Å; I913-V920 HydrophobicContact CG2-CG2 3.57Å; I918-V920 HydrophobicContact CG2-CG1 4.12Å; I918-V920 HydrophobicContact CG2-CG2 4.48Å; I918-V920 PolarHBondContact O-N 2.83Å; V920-M922 HydrophobicContact CB-CE 3.96Å; V920-M922 HydrophobicContact CG2-CE 3.56Å | ||
| 921 | R | 85.1 | Confident | 88 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 51% | 0.506 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.9 | 170.6 | -65.3 | -177 | -74.5 | -166.5 | -0.5 | 108.5 | G895 V896 I897 | G895-R921 PolarHBondContact O-N 2.73Å; V896-R921 WeakPolarHBondContact CA-O 3.34Å; V896-R921 HydrophobicContact CG2-CB 4.39Å; I897-R921 PolarHBondContact N-O 2.71Å |
| 922 | M | 89.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 129.9 | 175.2 | -50.3 | -69.7 | 92.5 | 0 | 0 | 109.5 | I897 L899 I913 V920 Q927 R928 L931 | I897-M922 HydrophobicContact CD1-CE 3.83Å; I897-M922 HydrophobicContact CG1-CE 3.49Å; I897-M922 VanDerWaalsContact CG1-CE 3.49Å; I897-M922 HydrophobicContact CG1-SD 4.42Å; I897-M922 CarbonylContact O-C 3.56Å; I897-M922 WeakPolarHBondContact O-CA 3.43Å; L899-M922 HydrophobicContact CD1-SD 3.92Å; L899-M922 HydrophobicContact CG-SD 4.37Å; I913-M922 HydrophobicContact CD1-CE 3.89Å; I913-M922 HydrophobicContact CD1-SD 4.45Å; V920-M922 HydrophobicContact CB-CE 3.96Å; V920-M922 HydrophobicContact CG2-CE 3.56Å; M922-Q927 HydrophobicContact CB-CB 3.75Å; M922-Q927 HydrophobicContact CG-CB 4.01Å; M922-Q927 HydrophobicContact SD-CB 4.48Å; M922-R928 HydrophobicContact CB-CG 3.78Å; M922-R928 WeakPolarHBondContact O-CD 3.33Å; M922-R928 WeakPolarHBondContact O-CG 3.29Å; M922-R928 PolarHBondContact O-NE 2.99Å; M922-L931 HydrophobicContact CE-CD2 4.47Å; M922-L931 HydrophobicContact CG-CB 4.34Å; M922-L931 HydrophobicContact CG-CD2 4.13Å |
| 923 | K | 86 | Confident | 87.7 | Confident | 109 Ų | 109 | 62.7 Ų | 62.7 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -64.2 | -43.8 | 179.8 | -176.1 | 175.2 | 162.6 | -145.4 | 0 | 112.2 | V896 I897 E898 R928 | V896-K923 HydrophobicContact CG1-CB 4.4Å; I897-K923 PolarHBondContact O-N 3.03Å; E898-K923 HydrophobicContact CB-CB 4.23Å; E898-K923 HydrophobicContact CB-CD 4.3Å; E898-K923 WeakPolarHBondContact OE2-CD 3.46Å; E898-K923 WeakPolarHBondContact OE2-CE 3.5Å; E898-K923 IonicContact OE2-NZ 3.99Å; E898-K923 PolarHBondContact OE2-NZ 2.91Å; K923-R928 PolarHBondContact O-NH2 2.83Å |
| 924 | L | 85.9 | Confident | 87.5 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 36% | 0.356 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -85.5 | 130.8 | -178.4 | -63.4 | 176.6 | 0 | 0 | 0 | 112.5 | E898 A926 Q927 R928 | E898-L924 HydrophobicContact CG-CD1 3.81Å; E898-L924 HydrophobicContact CG-CG 3.98Å; L924-A926 VanDerWaalsContact C-N 3.31Å; L924-A926 PolarHBondContact O-N 2.77Å; L924-Q927 HydrophobicContact CB-CB 4.32Å; L924-Q927 HydrophobicContact CB-CG 4.1Å; L924-Q927 HydrophobicContact CD1-CG 4.48Å; L924-Q927 WeakPolarHBondContact O-CB 3.46Å; L924-Q927 PolarHBondContact O-N 3.13Å; L924-R928 PolarHBondContact O-N 3.06Å; L924-R928 VanDerWaalsContact O-N 3.07Å |
| 925 | P | 84.1 | Confident | 87.4 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 49% | 0.494 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.4 | -38.6 | 179.1 | -29.1 | 35.7 | 0 | 0 | 0 | 114.6 | Q927 R928 A929 | P925-Q927 VanDerWaalsContact C-N 3.27Å; P925-Q927 PolarHBondContact O-N 2.64Å; P925-R928 WeakPolarHBondContact O-CB 3.47Å; P925-R928 PolarHBondContact O-N 2.69Å; P925-A929 PolarHBondContact O-N 2.78Å |
| 926 | A | 87 | Confident | 87.2 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 66% | 0.661 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.1 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L924 A930 | L924-A926 VanDerWaalsContact C-N 3.31Å; L924-A926 PolarHBondContact O-N 2.77Å; A926-A930 WeakPolarHBondContact O-CB 3.37Å; A926-A930 PolarHBondContact O-N 3.11Å |
| 927 | Q | 90.8 | Very high | 86.9 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 9% | 0.093 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -75.8 | -35.5 | 175.8 | -64.9 | -170.6 | -3.1 | 0 | 0 | 111.7 | L899 M910 M922 L924 P925 A930 L931 | L899-Q927 PolarHBondContact O-NE2 3.03Å; M910-Q927 HydrophobicContact CE-CB 3.71Å; M910-Q927 HydrophobicContact CE-CG 3.81Å; M922-Q927 HydrophobicContact CB-CB 3.75Å; M922-Q927 HydrophobicContact CG-CB 4.01Å; M922-Q927 HydrophobicContact SD-CB 4.48Å; L924-Q927 HydrophobicContact CB-CB 4.32Å; L924-Q927 HydrophobicContact CB-CG 4.1Å; L924-Q927 HydrophobicContact CD1-CG 4.48Å; L924-Q927 WeakPolarHBondContact O-CB 3.46Å; L924-Q927 PolarHBondContact O-N 3.13Å; P925-Q927 VanDerWaalsContact C-N 3.27Å; P925-Q927 PolarHBondContact O-N 2.64Å; Q927-A930 PolarHBondContact O-N 2.96Å; Q927-L931 WeakPolarHBondContact O-CB 3.33Å; Q927-L931 PolarHBondContact O-N 2.96Å |
| 928 | R | 90.4 | Very high | 86.4 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 170.1 | -59.6 | -177.8 | -145.8 | 140.4 | 6.6 | 110.7 | M922 K923 L924 P925 A930 L931 E932 E1280 | M922-R928 HydrophobicContact CB-CG 3.78Å; M922-R928 WeakPolarHBondContact O-CD 3.33Å; M922-R928 WeakPolarHBondContact O-CG 3.29Å; M922-R928 PolarHBondContact O-NE 2.99Å; K923-R928 PolarHBondContact O-NH2 2.83Å; L924-R928 PolarHBondContact O-N 3.06Å; L924-R928 VanDerWaalsContact O-N 3.07Å; P925-R928 WeakPolarHBondContact O-CB 3.47Å; P925-R928 PolarHBondContact O-N 2.69Å; R928-A930 VanDerWaalsContact C-N 3.32Å; R928-A930 PolarHBondContact O-N 3.32Å; R928-L931 PolarHBondContact O-N 2.85Å; R928-E932 WeakPolarHBondContact O-CB 3.49Å; R928-E932 PolarHBondContact O-N 3.34Å; R928-E1280 IonicContact CZ-OE1 3.24Å; R928-E1280 IonicContact CZ-OE2 3.41Å; R928-E1280 VanDerWaalsContact CZ-OE2 3.26Å; R928-E1280 IonicContact NH1-OE1 2.67Å; R928-E1280 PolarHBondContact NH1-OE1 2.8Å; R928-E1280 IonicContact NH1-OE2 2.6Å; R928-E1280 PolarHBondContact NH1-OE2 3.11Å; R928-E1280 IonicContact NH2-OE1 3.7Å; R928-E1280 IonicContact NH2-OE2 3.76Å; R928-E1280 PolarHBondContact NH2-OE2 3.27Å |
| 929 | A | 88.4 | Confident | 85.7 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 51% | 0.512 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P925 K933 | P925-A929 PolarHBondContact O-N 2.78Å; A929-K933 VanDerWaalsContact O-CB 3.27Å; A929-K933 WeakPolarHBondContact O-CB 3.32Å; A929-K933 PolarHBondContact O-N 3.36Å |
| 930 | A | 88.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 72 Ų | 72 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M910 A926 Q927 R928 K933 I934 | M910-A930 HydrophobicContact CE-CB 4.14Å; M910-A930 HydrophobicContact SD-CB 3.72Å; A926-A930 WeakPolarHBondContact O-CB 3.37Å; A926-A930 PolarHBondContact O-N 3.11Å; Q927-A930 PolarHBondContact O-N 2.96Å; R928-A930 VanDerWaalsContact C-N 3.32Å; R928-A930 PolarHBondContact O-N 3.32Å; A930-K933 PolarHBondContact O-N 3.24Å; A930-I934 WeakPolarHBondContact O-CG1 3.44Å; A930-I934 PolarHBondContact O-N 3.48Å |
| 931 | L | 90.4 | Very high | 83.5 | Confident | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.4 | -167.9 | 77 | 0 | 0 | 0 | 111.6 | M910 I913 V914 M922 Q927 R928 K933 I934 R935 | M910-L931 HydrophobicContact CB-CD1 3.92Å; M910-L931 HydrophobicContact CG-CD1 4.07Å; I913-L931 HydrophobicContact CB-CD1 4.04Å; I913-L931 HydrophobicContact CD1-CD1 4.36Å; I913-L931 HydrophobicContact CG2-CD1 3.79Å; I913-L931 HydrophobicContact CG2-CD2 4.18Å; V914-L931 HydrophobicContact CG2-CD1 3.75Å; V914-L931 HydrophobicContact CG2-CG 4.18Å; M922-L931 HydrophobicContact CE-CD2 4.47Å; M922-L931 HydrophobicContact CG-CB 4.34Å; M922-L931 HydrophobicContact CG-CD2 4.13Å; Q927-L931 WeakPolarHBondContact O-CB 3.33Å; Q927-L931 PolarHBondContact O-N 2.96Å; R928-L931 PolarHBondContact O-N 2.85Å; L931-K933 VanDerWaalsContact C-N 3.34Å; L931-K933 PolarHBondContact O-N 3.31Å; L931-I934 PolarHBondContact O-N 2.95Å; L931-R935 PolarHBondContact O-N 2.75Å |
| 932 | E | 87.6 | Confident | 81.8 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 177 | -173.6 | 66.3 | -173 | 0 | 0 | 112.2 | R928 R935 K936 | R928-E932 WeakPolarHBondContact O-CB 3.49Å; R928-E932 PolarHBondContact O-N 3.34Å; E932-R935 PolarHBondContact O-N 2.84Å; E932-R935 IonicContact OE2-NH1 3.75Å; E932-K936 HydrophobicContact CG-CD 4.41Å; E932-K936 PolarHBondContact O-N 2.95Å; E932-K936 VanDerWaalsContact O-N 3.1Å; E932-K936 WeakPolarHBondContact OE1-CE 3.47Å; E932-K936 IonicContact OE1-NZ 2.71Å; E932-K936 PolarHBondContact OE1-NZ 3.32Å |
| 933 | K | 89.8 | Confident | 79.5 | Confident | 123 Ų | 123 | 81.7 Ų | 81.7 | 54% | 0.535 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 171.7 | -177.7 | 173.5 | 178.2 | -68.8 | 0 | 111.6 | A929 A930 L931 K936 E937 | A929-K933 VanDerWaalsContact O-CB 3.27Å; A929-K933 WeakPolarHBondContact O-CB 3.32Å; A929-K933 PolarHBondContact O-N 3.36Å; A930-K933 PolarHBondContact O-N 3.24Å; L931-K933 VanDerWaalsContact C-N 3.34Å; L931-K933 PolarHBondContact O-N 3.31Å; K933-K936 PolarHBondContact O-N 3.07Å; K933-E937 WeakPolarHBondContact CE-OE1 3.44Å; K933-E937 IonicContact NZ-OE1 2.69Å; K933-E937 PolarHBondContact NZ-OE1 3.44Å; K933-E937 IonicContact NZ-OE2 2.64Å; K933-E937 WeakPolarHBondContact O-CB 3.17Å; K933-E937 VanDerWaalsContact O-CG 3.3Å; K933-E937 WeakPolarHBondContact O-CG 3.29Å; K933-E937 PolarHBondContact O-N 2.66Å |
| 934 | I | 88.8 | Confident | 77.1 | Confident | 25 Ų | 25 | 80 Ų | 80 | 13% | 0.128 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 176.9 | -69.1 | 163.3 | 0 | 0 | 0 | 111.5 | M910 Q911 V914 A930 L931 K938 | M910-I934 HydrophobicContact CB-CD1 3.61Å; M910-I934 HydrophobicContact SD-CD1 4.27Å; Q911-I934 HydrophobicContact CG-CG2 4.43Å; V914-I934 HydrophobicContact CB-CG2 4.13Å; V914-I934 HydrophobicContact CG1-CG2 4.29Å; V914-I934 HydrophobicContact CG2-CG2 4.04Å; A930-I934 WeakPolarHBondContact O-CG1 3.44Å; A930-I934 PolarHBondContact O-N 3.48Å; L931-I934 PolarHBondContact O-N 2.95Å; I934-K938 VanDerWaalsContact O-CB 3.31Å; I934-K938 WeakPolarHBondContact O-CB 3.38Å; I934-K938 PolarHBondContact O-N 3.03Å |
| 935 | R | 88.4 | Confident | 74.5 | Confident | 84 Ų | 84 | 82.8 Ų | 82.8 | 32% | 0.317 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.5 | -55.4 | 170.1 | -76 | -179.2 | 175 | 142.4 | -0.3 | 111 | V914 L931 E932 E937 K938 E939 | V914-R935 HydrophobicContact CG1-CG 3.89Å; V914-R935 HydrophobicContact CG2-CG 3.75Å; L931-R935 PolarHBondContact O-N 2.75Å; E932-R935 PolarHBondContact O-N 2.84Å; E932-R935 IonicContact OE2-NH1 3.75Å; R935-E937 VanDerWaalsContact C-N 3.33Å; R935-E937 PolarHBondContact O-N 3.44Å; R935-K938 PolarHBondContact O-N 3.04Å; R935-E939 WeakPolarHBondContact O-CG 3.45Å; R935-E939 PolarHBondContact O-N 2.77Å |
| 936 | K | 84.9 | Confident | 72 | Confident | 106 Ų | 106 | 85.5 Ų | 85.5 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | -179.9 | -75.7 | 159.6 | 175.3 | 155.8 | 0 | 112.9 | E932 K933 M940 | E932-K936 HydrophobicContact CG-CD 4.41Å; E932-K936 PolarHBondContact O-N 2.95Å; E932-K936 VanDerWaalsContact O-N 3.1Å; E932-K936 WeakPolarHBondContact OE1-CE 3.47Å; E932-K936 IonicContact OE1-NZ 2.71Å; E932-K936 PolarHBondContact OE1-NZ 3.32Å; K933-K936 PolarHBondContact O-N 3.07Å; K936-M940 WeakPolarHBondContact O-CB 3.43Å; K936-M940 WeakPolarHBondContact O-CG 3.36Å; K936-M940 PolarHBondContact O-N 3.38Å |
| 937 | E | 80.3 | Confident | 69.2 | Low | 99 Ų | 99 | 86.8 Ų | 86.8 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 173.1 | -76.4 | 173.8 | 173.2 | 0 | 0 | 112.4 | K933 R935 A941 | K933-E937 WeakPolarHBondContact CE-OE1 3.44Å; K933-E937 IonicContact NZ-OE1 2.69Å; K933-E937 PolarHBondContact NZ-OE1 3.44Å; K933-E937 IonicContact NZ-OE2 2.64Å; K933-E937 WeakPolarHBondContact O-CB 3.17Å; K933-E937 VanDerWaalsContact O-CG 3.3Å; K933-E937 WeakPolarHBondContact O-CG 3.29Å; K933-E937 PolarHBondContact O-N 2.66Å; R935-E937 VanDerWaalsContact C-N 3.33Å; R935-E937 PolarHBondContact O-N 3.44Å; E937-A941 VanDerWaalsContact O-CB 3.25Å; E937-A941 WeakPolarHBondContact O-CB 3.41Å; E937-A941 PolarHBondContact O-N 3.46Å |
| 938 | K | 74.9 | Confident | 66.5 | Low | 46 Ų | 46 | 94 Ų | 94 | 20% | 0.2 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -77.6 | -34.9 | 179.1 | -162.4 | 166.6 | -170.3 | 170.6 | 0 | 112.9 | V914 E915 I934 R935 A941 H942 | V914-K938 HydrophobicContact CG1-CB 4.26Å; V914-K938 HydrophobicContact CG1-CD 3.99Å; E915-K938 IonicContact OE1-NZ 3.89Å; E915-K938 PolarHBondContact OE1-NZ 2.99Å; E915-K938 IonicContact OE2-NZ 2.76Å; E915-K938 PolarHBondContact OE2-NZ 3.17Å; I934-K938 VanDerWaalsContact O-CB 3.31Å; I934-K938 WeakPolarHBondContact O-CB 3.38Å; I934-K938 PolarHBondContact O-N 3.03Å; R935-K938 PolarHBondContact O-N 3.04Å; K938-A941 PolarHBondContact O-N 2.89Å; K938-H942 PolarHBondContact O-N 3.34Å; K938-H942 VanDerWaalsContact O-N 3.14Å; K938-H942 PolarHBondContact O-ND1 3.25Å |
| 939 | E | 70.9 | Confident | 63.4 | Low | 127 Ų | 127 | 101.8 Ų | 101.8 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.3 | -54.1 | 168.7 | -72.5 | 170.5 | 160.8 | 0 | 0 | 110.1 | R935 A941 H942 | R935-E939 WeakPolarHBondContact O-CG 3.45Å; R935-E939 PolarHBondContact O-N 2.77Å; E939-A941 PolarHBondContact O-N 3.08Å; E939-H942 PolarHBondContact O-N 3.27Å |
| 940 | M | 62.7 | Low | 60.7 | Low | 153 Ų | 153 | 103.4 Ų | 103.4 | 75% | 0.754 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -28.5 | 175.9 | -74.5 | -169.4 | 143.8 | 0 | 0 | 113.6 | K936 A944 | K936-M940 WeakPolarHBondContact O-CB 3.43Å; K936-M940 WeakPolarHBondContact O-CG 3.36Å; K936-M940 PolarHBondContact O-N 3.38Å; M940-A944 WeakPolarHBondContact O-CB 3.49Å |
| 941 | A | 58.7 | Low | 57.8 | Low | 49 Ų | 49 | 107.5 Ų | 107.5 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.7 | -26 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E937 K938 E939 A944 | E937-A941 VanDerWaalsContact O-CB 3.25Å; E937-A941 WeakPolarHBondContact O-CB 3.41Å; E937-A941 PolarHBondContact O-N 3.46Å; K938-A941 PolarHBondContact O-N 2.89Å; E939-A941 PolarHBondContact O-N 3.08Å; A941-A944 PolarHBondContact O-N 3.29Å |
| 942 | H | 48.9 | Very low | 55 | Low | 143 Ų | 143 | 112.3 Ų | 112.3 | 66% | 0.662 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -76.1 | -30.9 | 178.6 | -80.5 | 71 | 0 | 0 | 0 | 112.6 | K938 E939 A944 | K938-H942 PolarHBondContact O-N 3.34Å; K938-H942 VanDerWaalsContact O-N 3.14Å; K938-H942 PolarHBondContact O-ND1 3.25Å; E939-H942 PolarHBondContact O-N 3.27Å; H942-A944 VanDerWaalsContact C-N 3.26Å; H942-A944 PolarHBondContact O-N 3.02Å |
| 943 | D | 42 | Very low | 52.3 | Low | 157 Ų | 157 | 115.9 Ų | 115.9 | 84% | 0.84 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -9.5 | 170.9 | -81.4 | -19 | 0 | 0 | 0 | 113.6 | ||
| 944 | A | 35.3 | Very low | 49.4 | Very low | 73 Ų | 73 | 115.9 Ų | 115.9 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 5.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | M940 A941 H942 | M940-A944 WeakPolarHBondContact O-CB 3.49Å; A941-A944 PolarHBondContact O-N 3.29Å; H942-A944 VanDerWaalsContact C-N 3.26Å; H942-A944 PolarHBondContact O-N 3.02Å |
| 945 | I | 31.5 | Very low | 46.6 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 65% | 0.651 | 62% | 0.62 | S | S | * | * | trans | -132.9 | 62.5 | -170.8 | -39.1 | -177.7 | 0 | 0 | 0 | 115.2 | ||||
| 946 | V | 31.2 | Very low | 43.8 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 81% | 0.806 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -139.8 | 123.2 | 142.2 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 947 | T | 28.7 | Very low | 41.2 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | trans | -11.2 | 138.2 | 165.9 | 60.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 948 | H | 33.8 | Very low | 38.7 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | cis | -143.9 | 128.4 | 26.5 | -80.6 | -91.6 | 0 | 0 | 0 | 115.2 | ||||
| 949 | R | 25.9 | Very low | 36.7 | Very low | 236 Ų | 236 | 133.5 Ų | 133.5 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | 27 | 150.2 | 121 | -98 | -149.4 | 155.6 | 175.4 | -4.6 | 122.3 | |||||
| 950 | P | 31.7 | Very low | 34.7 | Very low | 95 Ų | 95 | 136 Ų | 136 | 62% | 0.617 | 72% | 0.718 | S | S | * | * | -145.6 | -142.6 | -107.7 | 43.4 | -21.3 | 0 | 0 | 0 | 113.6 | |||||
| 951 | T | 27.6 | Very low | 33.2 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | 82.6 | 153.2 | 155.8 | 17.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 952 | P | 32 | Very low | 31.9 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | -128 | -116.2 | -86.5 | 41.6 | -23.5 | 0 | 0 | 0 | 111.9 | |||||
| 953 | E | 30.4 | Very low | 31.2 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | trans | 74.4 | 139.7 | 179.3 | -56.5 | -76.2 | 123.4 | 0 | 0 | 115.6 | ||||
| 954 | L | 29.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | cis | -162.7 | 154.1 | -25.1 | -158.7 | 71.7 | 0 | 0 | 0 | 110.2 | ||||
| 955 | N | 29.7 | Very low | 30.9 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 52% | 0.524 | 76% | 0.758 | S | S | . | * | trans | 46.8 | 123.9 | 151.8 | -87.7 | -40.9 | 0 | 0 | 0 | 122 | ||||
| 956 | R | 28.2 | Very low | 31.1 | Very low | 211 Ų | 211 | 146.3 Ų | 146.3 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | 41.8 | 123.4 | 126.2 | -56.3 | 168.9 | -178.4 | 147.1 | -0.9 | 119 | |||||
| 957 | Q | 31.7 | Very low | 31.4 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | -170.7 | 128 | 103 | -103.9 | 163.4 | 9.7 | 0 | 0 | 113.2 | |||||
| 958 | S | 28 | Very low | 31.9 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -70.8 | 157.8 | 146.1 | -29.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 959 | P | 31.3 | Very low | 32.1 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -146.3 | 179.2 | 73.5 | 40.3 | -22.9 | 0 | 0 | 0 | 115.5 | |||||
| 960 | E | 28.9 | Very low | 32.7 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -69 | 146.9 | 167.3 | -56.7 | 140.3 | 129.6 | 0 | 0 | 111.2 | ||||
| 961 | E | 32.3 | Very low | 33.2 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -105 | 120.9 | 157.2 | -75.1 | -164 | 127.3 | 0 | 0 | 109.6 | ||||
| 962 | T | 31.8 | Very low | 33.8 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -140.3 | 131.6 | 162.9 | -66.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 963 | T | 32.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 117.5 | -157.5 | -53.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 964 | M | 34.6 | Very low | 34.5 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | 50.7 | 116.6 | 148.4 | -59.4 | -83.4 | -78.3 | 0 | 0 | 119.7 | ||||
| 965 | A | 36.7 | Very low | 34.9 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | 169.9 | 94.1 | 110.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 966 | Q | 35.6 | Very low | 35.3 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | 56.9 | 161.1 | 143.6 | -72.2 | -162 | -105.2 | 0 | 0 | 123.1 | ||||
| 967 | P | 37.7 | Very low | 35.8 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -131.7 | 167.2 | -153.1 | 42.9 | -27.7 | 0 | 0 | 0 | 117.7 | ||||
| 968 | A | 38.8 | Very low | 36 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -163.2 | 130 | 148.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 969 | P | 39.3 | Very low | 36.5 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -113.9 | -164.9 | 171 | 41.1 | -31 | 0 | 0 | 0 | 111.8 | ||||
| 970 | P | 38.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | cis | -130.9 | 160.5 | -47.2 | 32.5 | -16 | 0 | 0 | 0 | 113.8 | ||||
| 971 | V | 40.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 92% | 0.915 | 78% | 0.778 | S | S | * | * | trans | -147.9 | 144.8 | 156.8 | -155.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 972 | S | 40.8 | Very low | 37.3 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -105.7 | -168.8 | 176.2 | -13.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 973 | P | 41.2 | Very low | 37.5 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | cis | -134.2 | -167.6 | -32 | 34 | -13.9 | 0 | 0 | 0 | 112.9 | ||||
| 974 | K | 36.7 | Very low | 37.6 | Very low | 176 Ų | 176 | 124.3 Ų | 124.3 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | 121.7 | 137.4 | 127.7 | -154.1 | -163.6 | 175 | -159.7 | 0 | 117.9 | |||||
| 975 | A | 38.1 | Very low | 37.7 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | 73.8 | 144.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 976 | E | 37.3 | Very low | 37.7 | Very low | 158 Ų | 158 | 123.9 Ų | 123.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | cis | -163.6 | 153.7 | -13.9 | -117.3 | 143.2 | -154 | 0 | 0 | 110.9 | ||||
| 977 | A | 39.2 | Very low | 37.7 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | 58.9 | 145.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 978 | E | 36.7 | Very low | 38.1 | Very low | 156 Ų | 156 | 119.9 Ų | 119.9 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | cis | -156.7 | 126.2 | -8.1 | -120.7 | 157.2 | -177.4 | 0 | 0 | 110.1 | ||||
| 979 | Q | 37.8 | Very low | 38.1 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | 69.6 | 139.6 | 104.9 | -67.6 | -167.7 | 64.1 | 0 | 0 | 115.9 | |||||
| 980 | T | 35.5 | Very low | 38.5 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | cis | -167.5 | 161 | 1.2 | 14.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 981 | A | 37.1 | Very low | 38.4 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | cis | -146.9 | -154 | -5.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 982 | G | 36.7 | Very low | 38.4 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | cis | 153.4 | 159.3 | 4.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 983 | S | 35.8 | Very low | 38.8 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -163.9 | 121 | -3.5 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 984 | T | 35.5 | Very low | 38.8 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 69 | 137.9 | 98.3 | -32.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 985 | A | 36.5 | Very low | 38.7 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 63% | 0.628 | 76% | 0.763 | S | S | * | * | cis | -176.3 | 179.6 | -28 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 986 | E | 36.6 | Very low | 38.7 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | 69.5 | 161.8 | 147.1 | -79 | 176.3 | 165.7 | 0 | 0 | 121.4 | ||||
| 987 | T | 36.1 | Very low | 38.7 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | cis | -151.4 | 167.9 | 1 | 3.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 988 | P | 44.5 | Very low | 38.5 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -123.7 | -179.8 | -177.5 | 43.3 | -31.3 | 0 | 0 | 0 | 116.6 | ||||
| 989 | H | 39.8 | Very low | 38.4 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -172.2 | 158.3 | 152.5 | -104.1 | -69.3 | 0 | 0 | 0 | 116.1 | ||||
| 990 | P | 47.2 | Very low | 38.2 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -139.1 | 168.9 | -173.1 | 43.8 | -27.5 | 0 | 0 | 0 | 120.1 | ||||
| 991 | E | 37.9 | Very low | 38.8 | Very low | 199 Ų | 199 | 128.5 Ų | 128.5 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | 179.2 | 173.1 | 159.1 | -105.8 | -164.3 | -121.5 | 0 | 0 | 110.7 | ||||
| 992 | A | 39.6 | Very low | 38.8 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | cis | -167 | 166.9 | -18.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 993 | P | 49.7 | Very low | 38.8 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -131.5 | 160.8 | -167.1 | 42 | -27.3 | 0 | 0 | 0 | 120.7 | ||||
| 994 | V | 41 | Very low | 38.9 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -153.9 | -176.7 | 168.3 | -133.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 995 | T | 35.1 | Very low | 38.8 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -139.6 | 160.8 | -158.1 | 9.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 996 | A | 38.2 | Very low | 39 | Very low | 92 Ų | 92 | 144 Ų | 144 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | 138.6 | 141 | 130.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 997 | K | 35.6 | Very low | 38.9 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 90% | 0.9 | 80% | 0.8 | S | S | * | * | trans | 67.2 | 160.7 | 150.9 | -72.7 | -176 | 176 | -175.2 | 0 | 122.6 | ||||
| 998 | A | 35.1 | Very low | 38.8 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | cis | -176.8 | 171.6 | -25.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 999 | E | 34.6 | Very low | 38.7 | Very low | 206 Ų | 206 | 146.3 Ų | 146.3 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | 100.7 | 164.2 | 152 | -146.5 | 145.8 | -163.6 | 0 | 0 | 122.7 | ||||
| 1000 | A | 34.3 | Very low | 38.5 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -145.6 | -131.1 | -153.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1001 | P | 49 | Very low | 38 | Very low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | -128.3 | 178.5 | -102.2 | 39.7 | -23.2 | 0 | 0 | 0 | 119.8 | |||||
| 1002 | R | 36.5 | Very low | 38.4 | Very low | 250 Ų | 250 | 137.8 Ų | 137.8 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | 139.6 | 162.9 | 158.4 | -85.2 | 178.5 | 166.1 | 157.7 | -3.6 | 113.8 | ||||
| 1003 | A | 35.9 | Very low | 38.3 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 62% | 0.62 | 81% | 0.806 | S | S | * | * | cis | -172.4 | 174.3 | -23.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1004 | D | 38.1 | Very low | 37.8 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | 88 | 173.2 | 157.8 | -57.9 | -35.4 | 0 | 0 | 0 | 124 | ||||
| 1005 | R | 33.2 | Very low | 37.7 | Very low | 237 Ų | 237 | 136 Ų | 136 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | trans | -162.4 | -172.1 | -149 | -134.9 | -174.3 | 162.3 | -140.8 | -1 | 111.1 | ||||
| 1006 | P | 41.4 | Very low | 38 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 53% | 0.532 | 80% | 0.797 | S | S | . | * | cis | -139.2 | -157.2 | -14.5 | 44.3 | -23.2 | 0 | 0 | 0 | 116.1 | ||||
| 1007 | E | 34.9 | Very low | 37.7 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 70.6 | 157.2 | 154.6 | -75.6 | 166.7 | -145.9 | 0 | 0 | 121.6 | ||||
| 1008 | Q | 34 | Very low | 37.6 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -163.1 | 178.8 | -32.4 | -113 | -156.8 | -120.1 | 0 | 0 | 111 | ||||
| 1009 | P | 40.9 | Very low | 37.4 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -125 | 173.7 | -155.2 | 45.7 | -36.6 | 0 | 0 | 0 | 120.3 | ||||
| 1010 | A | 36.1 | Very low | 37.5 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -175 | 170.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1011 | A | 38.1 | Very low | 37.4 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | cis | -168.3 | 162.8 | -33.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1012 | P | 45.9 | Very low | 36.4 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -124.2 | 173.7 | -163.4 | 43.6 | -32.9 | 0 | 0 | 0 | 118.4 | ||||
| 1013 | S | 36.9 | Very low | 36.3 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -170.6 | 140.7 | 156.6 | -173.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1014 | S | 38.6 | Very low | 36 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 55.9 | 148.1 | 147.2 | 53.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1015 | A | 39.7 | Very low | 35.5 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | cis | -168.3 | 172.3 | -11.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1016 | P | 40.4 | Very low | 35.3 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -116.8 | 174.8 | -149.6 | 43.5 | -37 | 0 | 0 | 0 | 118 | ||||
| 1017 | E | 33.4 | Very low | 34.8 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | -177.4 | 139 | 121.3 | -173.2 | 162.8 | -166.5 | 0 | 0 | 115.2 | |||||
| 1018 | K | 33.4 | Very low | 34.5 | Very low | 181 Ų | 181 | 129.7 Ų | 129.7 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | 51.4 | 101 | 161 | -75.3 | 165.9 | -179.4 | 142.5 | 0 | 122.7 | ||||
| 1019 | A | 31 | Very low | 34.3 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | 179.3 | 135 | 125.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1020 | P | 36 | Very low | 33.8 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -131.1 | 153.3 | 171.6 | 39.2 | -26.6 | 0 | 0 | 0 | 115.1 | ||||
| 1021 | V | 32.1 | Very low | 33.4 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | cis | -146.8 | 144.6 | -33.1 | 157.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1022 | S | 28.6 | Very low | 33.1 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -137.9 | 160.4 | 161 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1023 | A | 32.9 | Very low | 32.5 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | 66.3 | 117 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1024 | Q | 30.3 | Very low | 32.2 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 26.5 | 146.7 | 140.6 | -63.8 | 174.3 | -55.7 | 0 | 0 | 121.9 | ||||
| 1025 | P | 28.4 | Very low | 32 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | -126.1 | 152.1 | 117.9 | 36.6 | -31.7 | 0 | 0 | 0 | 113.5 | |||||
| 1026 | Q | 27.8 | Very low | 31.8 | Very low | 182 Ų | 182 | 131 Ų | 131 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -81.8 | 141.6 | 170.7 | -61.2 | 165.2 | -78.9 | 0 | 0 | 110.8 | ||||
| 1027 | Q | 30.5 | Very low | 32.3 | Very low | 192 Ų | 192 | 126.1 Ų | 126.1 | 90% | 0.897 | 71% | 0.713 | S | S | * | * | trans | -142.7 | 147.3 | 148.4 | -103.6 | -166.5 | -109.7 | 0 | 0 | 110 | ||||
| 1028 | P | 30.4 | Very low | 33.6 | Very low | 99 Ų | 99 | 125 Ų | 125 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | trans | -103.1 | -173.4 | -167.4 | 41.3 | -37.7 | 0 | 0 | 0 | 114.5 | ||||
| 1029 | D | 29.2 | Very low | 35.6 | Very low | 142 Ų | 142 | 116.5 Ų | 116.5 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | trans | 104.5 | 131.4 | 152.8 | -61.9 | -28.2 | 0 | 0 | 0 | 120.1 | ||||
| 1030 | T | 29.3 | Very low | 37.9 | Very low | 127 Ų | 127 | 114.8 Ų | 114.8 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | trans | 67.1 | 127.6 | 173.3 | 45.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1031 | P | 27.8 | Very low | 39.9 | Very low | 122 Ų | 122 | 112.3 Ų | 112.3 | 79% | 0.792 | 64% | 0.636 | S | S | * | * | trans | -77 | 143.7 | 178.5 | 32.9 | -34.9 | 0 | 0 | 0 | 111.4 | E1033 | P1031-E1033 PolarHBondContact O-N 3.34Š| ||
| 1032 | E | 33.4 | Very low | 41.9 | Very low | 175 Ų | 175 | 108.9 Ų | 108.9 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | trans | -86.2 | 111.7 | 170.1 | -151.9 | 152 | -131 | 0 | 0 | 109.1 | E1034 | E1032-E1034 PolarHBondContact O-N 3.36Š| ||
| 1033 | E | 31.7 | Very low | 44.4 | Very low | 106 Ų | 106 | 107.2 Ų | 107.2 | 50% | 0.495 | 61% | 0.606 | S | S | . | * | trans | -68.3 | 103.2 | -168.6 | -174.9 | 174.3 | -145.5 | 0 | 0 | 111 | P1031 P1035 K1061 | P1031-E1033 PolarHBondContact O-N 3.34Å; E1033-P1035 WeakPolarHBondContact O-CD 3.42Å; E1033-K1061 IonicContact OE2-NZ 2.69Å; E1033-K1061 PolarHBondContact OE2-NZ 2.97Å | ||
| 1034 | E | 30.5 | Very low | 46.9 | Very low | 134 Ų | 134 | 106.3 Ų | 106.3 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122.2 | 176.3 | -76.8 | -167.5 | 116 | 0 | 0 | 110.5 | E1032 K1038 | E1032-E1034 PolarHBondContact O-N 3.36Å; E1034-K1038 VanDerWaalsContact CD-CE 3.44Å; E1034-K1038 WeakPolarHBondContact OE1-CE 3.48Å; E1034-K1038 IonicContact OE1-NZ 2.75Å; E1034-K1038 PolarHBondContact OE1-NZ 2.92Å; E1034-K1038 WeakPolarHBondContact OE2-CE 3.47Å; E1034-K1038 IonicContact OE2-NZ 3.01Å; E1034-K1038 PolarHBondContact OE2-NZ 3.3Å |
| 1035 | P | 35.5 | Very low | 49.4 | Very low | 70 Ų | 70 | 98.9 Ų | 98.9 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 136.1 | 178.1 | 26.4 | -33.3 | 0 | 0 | 0 | 110.3 | E1033 | E1033-P1035 WeakPolarHBondContact O-CD 3.42Š|
| 1036 | P | 36.2 | Very low | 52.1 | Low | 83 Ų | 83 | 96.2 Ų | 96.2 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -65.8 | 149 | -179 | 27.6 | -34.5 | 0 | 0 | 0 | 111.4 | ||
| 1037 | G | 51 | Low | 54.8 | Low | 25 Ų | 25 | 88 Ų | 88 | 26% | 0.258 | 51% | 0.507 | S | S | . | . | trans | 97.4 | 58.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | L1039 Y1078 | G1037-L1039 PolarHBondContact O-N 2.89Å; G1037-Y1078 WeakPolarHBondContact O-CE1 3.43Å | ||
| 1038 | K | 60.6 | Low | 57.4 | Low | 126 Ų | 126 | 81.2 Ų | 81.2 | 55% | 0.548 | 48% | 0.478 | S | S | . | . | trans | -63.2 | 98 | 172.6 | -66.5 | -163.9 | -174.8 | -161.7 | 0 | 110.4 | E1034 | E1034-K1038 VanDerWaalsContact CD-CE 3.44Å; E1034-K1038 WeakPolarHBondContact OE1-CE 3.48Å; E1034-K1038 IonicContact OE1-NZ 2.75Å; E1034-K1038 PolarHBondContact OE1-NZ 2.92Å; E1034-K1038 WeakPolarHBondContact OE2-CE 3.47Å; E1034-K1038 IonicContact OE2-NZ 3.01Å; E1034-K1038 PolarHBondContact OE2-NZ 3.3Å | ||
| 1039 | L | 75.5 | Confident | 60.2 | Low | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.016 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 140.1 | 145.3 | -73.1 | 165.1 | 0 | 0 | 0 | 107 | G1037 E1043 V1045 Y1078 L1100 R1103 W1120 | G1037-L1039 PolarHBondContact O-N 2.89Å; L1039-E1043 HydrophobicContact CB-CB 4.23Å; L1039-E1043 HydrophobicContact CD2-CB 3.9Å; L1039-E1043 HydrophobicContact CD2-CG 3.62Å; L1039-V1045 HydrophobicContact CD1-CB 4.47Å; L1039-V1045 HydrophobicContact CD1-CG1 3.94Å; L1039-V1045 HydrophobicContact CD2-CB 4.34Å; L1039-Y1078 HydrophobicContact CD1-CD1 4.14Å; L1039-Y1078 HydrophobicContact CD1-CE1 3.58Å; L1039-Y1078 HydrophobicContact CG-CE1 3.78Å; L1039-L1100 HydrophobicContact CB-CB 4.03Å; L1039-L1100 WeakPolarHBondContact O-CD2 3.11Å; L1039-R1103 PolarHBondContact O-NH2 2.96Å; L1039-W1120 HydrophobicContact CD1-CH2 4.26Å; L1039-W1120 HydrophobicContact CD1-CZ3 3.8Å |
| 1040 | S | 78 | Confident | 63 | Low | 61 Ų | 61 | 71.9 Ų | 71.9 | 43% | 0.427 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 158.2 | 170.8 | -46.3 | 0 | 0 | 0 | 0 | 110 | G1042 E1043 | S1040-G1042 PolarHBondContact O-N 2.58Å; S1040-E1043 VanDerWaalsContact CB-OE2 3.26Å; S1040-E1043 WeakPolarHBondContact CB-OE2 3.49Å; S1040-E1043 PolarHBondContact N-OE2 2.77Å; S1040-E1043 WeakPolarHBondContact O-CB 3.45Å; S1040-E1043 PolarHBondContact O-N 2.7Å; S1040-E1043 PolarHBondContact OG-OE2 3.44Å |
| 1041 | P | 79.5 | Confident | 66 | Low | 73 Ų | 73 | 68.4 Ų | 68.4 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 128.1 | 168.4 | -25.6 | 36.4 | 0 | 0 | 0 | 110.8 | E1043 L1100 R1103 | P1041-E1043 VanDerWaalsContact C-N 3.33Å; P1041-L1100 CarbonylContact C-O 3.54Å; P1041-L1100 WeakPolarHBondContact CA-O 3.18Å; P1041-R1103 HydrophobicContact CG-CG 4.49Å |
| 1042 | G | 73.4 | Confident | 69 | Low | 62 Ų | 62 | 65.9 Ų | 65.9 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -14.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1040 L1100 | S1040-G1042 PolarHBondContact O-N 2.58Å; G1042-L1100 PolarHBondContact N-O 2.74Å |
| 1043 | E | 81.7 | Confident | 71.6 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | trans | -82.6 | 143.1 | 179.8 | -156.3 | -174.6 | 149.4 | 0 | 0 | 111.2 | L1039 S1040 P1041 L1100 | L1039-E1043 HydrophobicContact CB-CB 4.23Å; L1039-E1043 HydrophobicContact CD2-CB 3.9Å; L1039-E1043 HydrophobicContact CD2-CG 3.62Å; S1040-E1043 VanDerWaalsContact CB-OE2 3.26Å; S1040-E1043 WeakPolarHBondContact CB-OE2 3.49Å; S1040-E1043 PolarHBondContact N-OE2 2.77Å; S1040-E1043 WeakPolarHBondContact O-CB 3.45Å; S1040-E1043 PolarHBondContact O-N 2.7Å; S1040-E1043 PolarHBondContact OG-OE2 3.44Å; P1041-E1043 VanDerWaalsContact C-N 3.33Å; E1043-L1100 PolarHBondContact O-N 2.96Å; E1043-L1100 VanDerWaalsContact O-N 3.07Å | ||
| 1044 | S | 84.8 | Confident | 74.2 | Confident | 62 Ų | 62 | 59 Ų | 59 | 43% | 0.434 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 156.3 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | L1098 T1099 | S1044-L1098 CarbonylContact C-O 3.47Å; S1044-L1098 VanDerWaalsContact CA-O 3.27Å; S1044-L1098 WeakPolarHBondContact CA-O 3.37Å; S1044-T1099 WeakPolarHBondContact CB-OG1 3.48Å |
| 1045 | V | 83.1 | Confident | 76.8 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 125.1 | 173.7 | 66.1 | 0 | 0 | 0 | 0 | 110.5 | L1039 A1047 L1069 Y1078 T1097 L1098 | L1039-V1045 HydrophobicContact CD1-CB 4.47Å; L1039-V1045 HydrophobicContact CD1-CG1 3.94Å; L1039-V1045 HydrophobicContact CD2-CB 4.34Å; V1045-A1047 HydrophobicContact CG2-CB 4.49Å; V1045-L1069 HydrophobicContact CG1-CD1 3.66Å; V1045-Y1078 HydrophobicContact CG1-CE2 3.99Å; V1045-T1097 WeakPolarHBondContact O-CA 3.26Å; V1045-L1098 HydrophobicContact CG1-CB 4.1Å; V1045-L1098 PolarHBondContact N-O 2.85Å; V1045-L1098 PolarHBondContact O-N 3.32Å |
| 1046 | T | 84.6 | Confident | 78.9 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.5 | 172.9 | -53.6 | 0 | 0 | 0 | 0 | 109.4 | V1096 T1097 V1125 | T1046-V1096 WeakPolarHBondContact CA-O 3.35Å; T1046-T1097 PolarHBondContact OG1-OG1 2.97Å; T1046-V1125 HydrophobicContact CG2-CG1 4.3Å; T1046-V1125 HydrophobicContact CG2-CG2 3.63Å |
| 1047 | A | 83.9 | Confident | 80.5 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 168.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1045 L1069 N1071 V1096 | V1045-A1047 HydrophobicContact CG2-CB 4.49Å; A1047-L1069 HydrophobicContact CB-CB 3.78Å; A1047-L1069 HydrophobicContact CB-CD1 4.4Å; A1047-N1071 HydrophobicContact CB-CB 4.04Å; A1047-V1096 PolarHBondContact N-O 2.82Å; A1047-V1096 PolarHBondContact O-N 3.41Å; A1047-V1096 VanDerWaalsContact O-O 3.09Å |
| 1048 | V | 85.7 | Confident | 81.3 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 30% | 0.303 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129 | 173.4 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | T1050 L1069 T1070 | V1048-T1050 HydrophobicContact CG1-CG2 4.17Å; V1048-T1050 PolarHBondContact O-N 2.92Å; V1048-T1050 VanDerWaalsContact O-N 3.16Å; V1048-L1069 WeakPolarHBondContact O-CA 3.37Å; V1048-T1070 PolarHBondContact N-O 2.99Å; V1048-T1070 PolarHBondContact O-N 3.25Å |
| 1049 | L | 89.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 97.8 | 175 | -180 | 61.9 | 0 | 0 | 0 | 110.3 | N1051 Y1052 V1067 L1069 V1087 H1090 K1092 G1093 D1094 V1096 | L1049-N1051 WeakPolarHBondContact CD1-O 3.45Å; L1049-Y1052 HydrophobicContact CD1-CD1 4.15Å; L1049-Y1052 HydrophobicContact CD2-CD1 3.93Å; L1049-Y1052 HydrophobicContact CD2-CE1 4.07Å; L1049-Y1052 HydrophobicContact CG-CD1 4.02Å; L1049-Y1052 HydrophobicContact CG-CE1 4.44Å; L1049-V1067 HydrophobicContact CD1-CB 3.85Å; L1049-V1067 HydrophobicContact CD1-CG1 4.12Å; L1049-L1069 HydrophobicContact CB-CD2 4.2Å; L1049-L1069 HydrophobicContact CD1-CD2 3.82Å; L1049-V1087 HydrophobicContact CD2-CG1 4.02Å; L1049-H1090 HydrophobicContact CD2-CB 3.9Å; L1049-K1092 CarbonylContact O-C 3.46Å; L1049-K1092 WeakPolarHBondContact O-CA 3.42Å; L1049-G1093 PolarHBondContact O-N 3.33Å; L1049-D1094 WeakPolarHBondContact CB-O 3.46Å; L1049-D1094 PolarHBondContact N-O 3.41Å; L1049-V1096 HydrophobicContact CB-CG1 4.46Å; L1049-V1096 HydrophobicContact CB-CG2 3.95Å |
| 1050 | T | 88.7 | Confident | 81.2 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -24.6 | -175.1 | 44.8 | 0 | 0 | 0 | 0 | 113.8 | V1048 E1068 T1070 | V1048-T1050 HydrophobicContact CG1-CG2 4.17Å; V1048-T1050 PolarHBondContact O-N 2.92Å; V1048-T1050 VanDerWaalsContact O-N 3.16Å; T1050-E1068 VanDerWaalsContact CB-OE1 3.24Å; T1050-E1068 WeakPolarHBondContact CB-OE1 3.32Å; T1050-E1068 PolarHBondContact N-O 2.74Å; T1050-E1068 PolarHBondContact OG1-O 2.71Å; T1050-E1068 PolarHBondContact OG1-OE1 3.09Å; T1050-T1070 VanDerWaalsContact CG2-OG1 3.28Å; T1050-T1070 WeakPolarHBondContact CG2-OG1 3.45Å; T1050-T1070 PolarHBondContact OG1-OG1 2.84Å |
| 1051 | N | 90.4 | Very high | 80.5 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 161.9 | 176.4 | -154.8 | 8.7 | 0 | 0 | 0 | 112.4 | L1049 F1066 V1067 E1068 K1092 | L1049-N1051 WeakPolarHBondContact CD1-O 3.45Å; N1051-F1066 HydrophobicContact CB-CE2 4.36Å; N1051-V1067 CarbonylContact O-C 3.54Å; N1051-V1067 WeakPolarHBondContact O-CA 3.49Å; N1051-E1068 HydrophobicContact CB-CB 3.59Å; N1051-E1068 HydrophobicContact CB-CG 4.48Å; N1051-E1068 PolarHBondContact N-O 3.36Å; N1051-E1068 PolarHBondContact O-N 2.91Å; N1051-K1092 PolarHBondContact OD1-NZ 3.49Å |
| 1052 | Y | 91.6 | Very high | 80 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 161.4 | 172.3 | 54.2 | -93.5 | 0 | 0 | 0 | 111.5 | L1049 F1065 F1066 V1087 H1090 K1092 | L1049-Y1052 HydrophobicContact CD1-CD1 4.15Å; L1049-Y1052 HydrophobicContact CD2-CD1 3.93Å; L1049-Y1052 HydrophobicContact CD2-CE1 4.07Å; L1049-Y1052 HydrophobicContact CG-CD1 4.02Å; L1049-Y1052 HydrophobicContact CG-CE1 4.44Å; Y1052-F1065 HydrophobicContact CD2-CZ 4.06Å; Y1052-F1066 WeakPolarHBondContact CA-O 3.31Å; Y1052-F1066 WeakPolarHBondContact CB-O 3.42Å; Y1052-V1087 HydrophobicContact CD1-CG1 3.63Å; Y1052-V1087 HydrophobicContact CD2-CG1 3.53Å; Y1052-V1087 HydrophobicContact CE1-CG1 3.73Å; Y1052-V1087 HydrophobicContact CE2-CG1 3.62Å; Y1052-V1087 HydrophobicContact CG-CG1 3.52Å; Y1052-H1090 PolarHBondContact OH-O 2.88Å; Y1052-K1092 HydrophobicContact CD1-CD 4.49Å; Y1052-K1092 HydrophobicContact CD1-CG 3.9Å; Y1052-K1092 HydrophobicContact CE1-CD 4.21Å; Y1052-K1092 HydrophobicContact CE1-CG 3.38Å |
| 1053 | G | 88.6 | Confident | 80.1 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 19% | 0.186 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.3 | -168 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1065 F1066 | G1053-F1065 WeakPolarHBondContact O-CA 3.07Å; G1053-F1066 PolarHBondContact N-O 2.84Å; G1053-F1066 WeakPolarHBondContact O-CD1 3.43Å; G1053-F1066 PolarHBondContact O-N 2.98Å |
| 1054 | E | 86.8 | Confident | 80.1 | Confident | 118 Ų | 118 | 64.3 Ų | 64.3 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.7 | 165.5 | -72.2 | -167 | 150.5 | 0 | 0 | 111.2 | R1063 | E1054-R1063 HydrophobicContact CB-CB 4.48Å; E1054-R1063 WeakPolarHBondContact OE2-CD 3.43Å; E1054-R1063 IonicContact OE2-CZ 2.72Å; E1054-R1063 IonicContact OE2-NE 2.76Å; E1054-R1063 IonicContact OE2-NH1 3.59Å; E1054-R1063 PolarHBondContact OE2-NH1 3.38Å |
| 1055 | K | 83.7 | Confident | 80.3 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.5 | 169.9 | -172.6 | 178.5 | 169.6 | -163.3 | 0 | 109 | R1063 C1064 F1066 E1077 W1079 | K1055-R1063 WeakPolarHBondContact O-CA 3.39Å; K1055-C1064 PolarHBondContact N-O 3.39Å; K1055-C1064 PolarHBondContact O-N 3.32Å; K1055-F1066 HydrophobicContact CB-CD1 3.44Å; K1055-F1066 VanDerWaalsContact CB-CD1 3.44Å; K1055-F1066 HydrophobicContact CB-CE1 3.62Å; K1055-F1066 HydrophobicContact CB-CG 4.37Å; K1055-F1066 HydrophobicContact CD-CD1 4.08Å; K1055-F1066 HydrophobicContact CD-CE1 3.93Å; K1055-F1066 HydrophobicContact CD-CG 4.48Å; K1055-F1066 HydrophobicContact CD-CZ 4.16Å; K1055-F1066 HydrophobicContact CG-CD1 4.43Å; K1055-F1066 HydrophobicContact CG-CE1 4.38Å; K1055-E1077 IonicContact NZ-OE1 3.67Å; K1055-E1077 PolarHBondContact NZ-OE1 2.79Å; K1055-E1077 IonicContact NZ-OE2 2.75Å; K1055-E1077 PolarHBondContact NZ-OE2 2.79Å; K1055-W1079 HydrophobicContact CB-CH2 3.77Å; K1055-W1079 HydrophobicContact CB-CZ3 3.87Å; K1055-W1079 HydrophobicContact CD-CH2 3.65Å; K1055-W1079 HydrophobicContact CD-CZ2 4.25Å; K1055-W1079 HydrophobicContact CG-CH2 3.76Å; K1055-W1079 HydrophobicContact CG-CZ3 4.35Å |
| 1056 | E | 80 | Confident | 80.6 | Confident | 97 Ų | 97 | 62 Ų | 62 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116 | 171.3 | 179.9 | 158.1 | -141.8 | 0 | 0 | 108.2 | A1058 G1060 G1062 | E1056-A1058 VanDerWaalsContact CG-O 3.29Å; E1056-A1058 WeakPolarHBondContact CG-O 3.34Å; E1056-G1060 WeakPolarHBondContact OE1-CA 3.34Å; E1056-G1060 PolarHBondContact OE1-N 3.04Å; E1056-G1062 PolarHBondContact OE1-N 3.28Å |
| 1057 | Y | 69.2 | Low | 80.9 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -73.7 | -33 | -171.5 | 78.5 | -95.8 | 0 | 0 | 0 | 112.5 | K1061 C1064 | Y1057-K1061 HydrophobicContact CD1-CB 4.18Å; Y1057-K1061 HydrophobicContact CE1-CB 3.45Å; Y1057-K1061 VanDerWaalsContact CE1-CB 3.45Å; Y1057-K1061 HydrophobicContact CE1-CG 4.29Å; Y1057-K1061 HydrophobicContact CE2-CB 4.11Å; Y1057-K1061 HydrophobicContact CE2-CG 4.09Å; Y1057-K1061 VanDerWaalsContact CZ-CB 3.41Å; Y1057-K1061 WeakPolarHBondContact OH-CB 3.28Å; Y1057-C1064 HydrophobicContact CD1-CB 4.36Å |
| 1058 | A | 67.5 | Low | 81.3 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 8% | 0.083 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -148.6 | 143.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E1056 G1060 K1061 | E1056-A1058 VanDerWaalsContact CG-O 3.29Å; E1056-A1058 WeakPolarHBondContact CG-O 3.34Å; A1058-G1060 PolarHBondContact O-N 3.49Å; A1058-K1061 HydrophobicContact CB-CB 4.39Å; A1058-K1061 HydrophobicContact CB-CG 3.84Å; A1058-K1061 WeakPolarHBondContact O-CB 3.45Å; A1058-K1061 PolarHBondContact O-N 2.97Å |
| 1059 | P | 67 | Low | 81.4 | Confident | 129 Ų | 129 | 57.2 Ų | 57.2 | 84% | 0.838 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 124.8 | -171.3 | -26.9 | 35.3 | 0 | 0 | 0 | 113.9 | K1061 | P1059-K1061 VanDerWaalsContact C-N 3.28Å; P1059-K1061 PolarHBondContact O-N 3.21Å |
| 1060 | G | 67.7 | Low | 81.3 | Confident | 75 Ų | 75 | 59 Ų | 59 | 77% | 0.773 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -3.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1056 A1058 G1062 | E1056-G1060 WeakPolarHBondContact OE1-CA 3.34Å; E1056-G1060 PolarHBondContact OE1-N 3.04Å; A1058-G1060 PolarHBondContact O-N 3.49Å; G1060-G1062 VanDerWaalsContact C-N 3.33Å |
| 1061 | K | 64.3 | Low | 80.9 | Confident | 106 Ų | 106 | 59.7 Ų | 59.7 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -84.3 | -6.9 | 174.5 | -62.6 | -69.3 | -163.4 | 65.1 | 0 | 113.4 | E1033 Y1057 A1058 P1059 | E1033-K1061 IonicContact OE2-NZ 2.69Å; E1033-K1061 PolarHBondContact OE2-NZ 2.97Å; Y1057-K1061 HydrophobicContact CD1-CB 4.18Å; Y1057-K1061 HydrophobicContact CE1-CB 3.45Å; Y1057-K1061 VanDerWaalsContact CE1-CB 3.45Å; Y1057-K1061 HydrophobicContact CE1-CG 4.29Å; Y1057-K1061 HydrophobicContact CE2-CB 4.11Å; Y1057-K1061 HydrophobicContact CE2-CG 4.09Å; Y1057-K1061 VanDerWaalsContact CZ-CB 3.41Å; Y1057-K1061 WeakPolarHBondContact OH-CB 3.28Å; A1058-K1061 HydrophobicContact CB-CB 4.39Å; A1058-K1061 HydrophobicContact CB-CG 3.84Å; A1058-K1061 WeakPolarHBondContact O-CB 3.45Å; A1058-K1061 PolarHBondContact O-N 2.97Å; P1059-K1061 VanDerWaalsContact C-N 3.28Å; P1059-K1061 PolarHBondContact O-N 3.21Å |
| 1062 | G | 67.9 | Low | 79.9 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | trans | 89.1 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1056 G1060 | E1056-G1062 PolarHBondContact OE1-N 3.28Å; G1060-G1062 VanDerWaalsContact C-N 3.33Å | ||
| 1063 | R | 76.5 | Confident | 78.8 | Confident | 179 Ų | 179 | 71 Ų | 71 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.1 | -179.3 | -62.3 | -173.5 | -177.8 | -176.1 | -1.6 | 111.4 | E1054 K1055 | E1054-R1063 HydrophobicContact CB-CB 4.48Å; E1054-R1063 WeakPolarHBondContact OE2-CD 3.43Å; E1054-R1063 IonicContact OE2-CZ 2.72Å; E1054-R1063 IonicContact OE2-NE 2.76Å; E1054-R1063 IonicContact OE2-NH1 3.59Å; E1054-R1063 PolarHBondContact OE2-NH1 3.38Å; K1055-R1063 WeakPolarHBondContact O-CA 3.39Å |
| 1064 | C | 80.7 | Confident | 78.2 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.6 | 170.3 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | K1055 Y1057 W1079 N1081 | K1055-C1064 PolarHBondContact N-O 3.39Å; K1055-C1064 PolarHBondContact O-N 3.32Å; Y1057-C1064 HydrophobicContact CD1-CB 4.36Å; C1064-W1079 HydrophobicContact CB-CE3 4.16Å; C1064-N1081 PolarHBondContact SG-OD1 2.92Å |
| 1065 | F | 88.7 | Confident | 78.1 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 138.7 | 173.2 | -155 | -84.3 | 0 | 0 | 0 | 110.3 | Y1052 G1053 G1080 L1083 E1084 V1087 | Y1052-F1065 HydrophobicContact CD2-CZ 4.06Å; G1053-F1065 WeakPolarHBondContact O-CA 3.07Å; F1065-G1080 PolarHBondContact O-N 3.47Å; F1065-L1083 HydrophobicContact CD1-CB 3.67Å; F1065-L1083 HydrophobicContact CE1-CB 4.31Å; F1065-E1084 HydrophobicContact CB-CB 4.34Å; F1065-E1084 HydrophobicContact CD1-CB 4.32Å; F1065-E1084 HydrophobicContact CD2-CB 3.53Å; F1065-E1084 HydrophobicContact CD2-CG 3.82Å; F1065-E1084 HydrophobicContact CE2-CB 3.75Å; F1065-E1084 HydrophobicContact CE2-CG 3.66Å; F1065-E1084 HydrophobicContact CG-CB 3.82Å; F1065-E1084 HydrophobicContact CZ-CB 4.23Å; F1065-E1084 HydrophobicContact CZ-CG 4.32Å; F1065-V1087 HydrophobicContact CE1-CB 4.49Å |
| 1066 | F | 90.5 | Very high | 78.2 | Confident | 11 Ų | 11 | 74 Ų | 74 | 5% | 0.048 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 158.6 | 177 | 84.1 | -77.9 | 0 | 0 | 0 | 112 | N1051 Y1052 G1053 K1055 E1068 E1077 Y1078 W1079 | N1051-F1066 HydrophobicContact CB-CE2 4.36Å; Y1052-F1066 WeakPolarHBondContact CA-O 3.31Å; Y1052-F1066 WeakPolarHBondContact CB-O 3.42Å; G1053-F1066 PolarHBondContact N-O 2.84Å; G1053-F1066 WeakPolarHBondContact O-CD1 3.43Å; G1053-F1066 PolarHBondContact O-N 2.98Å; K1055-F1066 HydrophobicContact CB-CD1 3.44Å; K1055-F1066 VanDerWaalsContact CB-CD1 3.44Å; K1055-F1066 HydrophobicContact CB-CE1 3.62Å; K1055-F1066 HydrophobicContact CB-CG 4.37Å; K1055-F1066 HydrophobicContact CD-CD1 4.08Å; K1055-F1066 HydrophobicContact CD-CE1 3.93Å; K1055-F1066 HydrophobicContact CD-CG 4.48Å; K1055-F1066 HydrophobicContact CD-CZ 4.16Å; K1055-F1066 HydrophobicContact CG-CD1 4.43Å; K1055-F1066 HydrophobicContact CG-CE1 4.38Å; F1066-E1068 HydrophobicContact CE2-CB 4.3Å; F1066-E1077 HydrophobicContact CD2-CB 4.47Å; F1066-E1077 HydrophobicContact CD2-CG 4.2Å; F1066-E1077 HydrophobicContact CE2-CG 4.5Å; F1066-Y1078 CarbonylContact C-O 3.58Å; F1066-Y1078 WeakPolarHBondContact CA-O 3.27Å; F1066-W1079 HydrophobicContact CB-CD2 3.79Å; F1066-W1079 HydrophobicContact CB-CE3 3.6Å; F1066-W1079 HydrophobicContact CB-CG 4.47Å; F1066-W1079 HydrophobicContact CB-CH2 4.18Å; F1066-W1079 HydrophobicContact CB-CZ2 4.3Å; F1066-W1079 HydrophobicContact CB-CZ3 3.81Å; F1066-W1079 HydrophobicContact CG-CH2 4.47Å; F1066-W1079 HydrophobicContact CG-CZ3 4.43Å |
| 1067 | V | 90.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.1 | 163.6 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | L1049 N1051 L1069 E1077 Y1078 L1083 V1087 L1098 | L1049-V1067 HydrophobicContact CD1-CB 3.85Å; L1049-V1067 HydrophobicContact CD1-CG1 4.12Å; N1051-V1067 CarbonylContact O-C 3.54Å; N1051-V1067 WeakPolarHBondContact O-CA 3.49Å; V1067-L1069 HydrophobicContact CG2-CG 4.31Å; V1067-E1077 CarbonylContact O-C 3.6Å; V1067-E1077 WeakPolarHBondContact O-CA 3.24Å; V1067-Y1078 PolarHBondContact N-O 3.34Å; V1067-Y1078 PolarHBondContact O-N 2.99Å; V1067-L1083 HydrophobicContact CG1-CB 4.24Å; V1067-L1083 HydrophobicContact CG1-CD1 4.29Å; V1067-L1083 HydrophobicContact CG1-CD2 4.29Å; V1067-L1083 HydrophobicContact CG2-CD1 4.15Å; V1067-L1083 HydrophobicContact CG2-CD2 4.22Å; V1067-V1087 HydrophobicContact CG1-CG2 3.64Å; V1067-L1098 HydrophobicContact CG2-CD2 3.94Å |
| 1068 | E | 91.4 | Very high | 79.5 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 15% | 0.145 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.5 | 169.3 | -170.6 | -163.4 | 72.8 | 0 | 0 | 108.2 | T1050 N1051 F1066 K1075 R1076 E1077 | T1050-E1068 VanDerWaalsContact CB-OE1 3.24Å; T1050-E1068 WeakPolarHBondContact CB-OE1 3.32Å; T1050-E1068 PolarHBondContact N-O 2.74Å; T1050-E1068 PolarHBondContact OG1-O 2.71Å; T1050-E1068 PolarHBondContact OG1-OE1 3.09Å; N1051-E1068 HydrophobicContact CB-CB 3.59Å; N1051-E1068 HydrophobicContact CB-CG 4.48Å; N1051-E1068 PolarHBondContact N-O 3.36Å; N1051-E1068 PolarHBondContact O-N 2.91Å; F1066-E1068 HydrophobicContact CE2-CB 4.3Å; E1068-K1075 VanDerWaalsContact CD-NZ 3.33Å; E1068-K1075 HydrophobicContact CG-CD 4.38Å; E1068-K1075 IonicContact OE1-NZ 3.68Å; E1068-K1075 PolarHBondContact OE1-NZ 2.83Å; E1068-K1075 IonicContact OE2-NZ 3.64Å; E1068-K1075 PolarHBondContact OE2-NZ 2.81Å; E1068-R1076 WeakPolarHBondContact CA-O 3.49Å; E1068-E1077 HydrophobicContact CB-CG 4.46Å; E1068-E1077 HydrophobicContact CG-CG 4.39Å |
| 1069 | L | 89 | Confident | 80.4 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137.2 | 178.5 | -63.1 | -171.5 | 0 | 0 | 0 | 110 | V1045 A1047 V1048 L1049 V1067 K1075 R1076 Y1078 V1096 L1098 | V1045-L1069 HydrophobicContact CG1-CD1 3.66Å; A1047-L1069 HydrophobicContact CB-CB 3.78Å; A1047-L1069 HydrophobicContact CB-CD1 4.4Å; V1048-L1069 WeakPolarHBondContact O-CA 3.37Å; L1049-L1069 HydrophobicContact CB-CD2 4.2Å; L1049-L1069 HydrophobicContact CD1-CD2 3.82Å; V1067-L1069 HydrophobicContact CG2-CG 4.31Å; L1069-K1075 CarbonylContact O-C 3.59Å; L1069-K1075 WeakPolarHBondContact O-CA 3.24Å; L1069-R1076 PolarHBondContact N-O 2.92Å; L1069-R1076 PolarHBondContact O-N 3.35Å; L1069-Y1078 HydrophobicContact CB-CD2 4.4Å; L1069-Y1078 HydrophobicContact CB-CE2 4.24Å; L1069-Y1078 HydrophobicContact CD1-CD2 3.91Å; L1069-Y1078 HydrophobicContact CD1-CE2 3.93Å; L1069-Y1078 HydrophobicContact CG-CD2 4.1Å; L1069-Y1078 HydrophobicContact CG-CE2 4.31Å; L1069-V1096 HydrophobicContact CD2-CG2 3.52Å; L1069-L1098 HydrophobicContact CD1-CB 3.69Å; L1069-L1098 HydrophobicContact CD1-CD2 3.78Å; L1069-L1098 HydrophobicContact CD1-CG 4.37Å |
| 1070 | T | 85.9 | Confident | 81.2 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.7 | -179 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | V1048 T1050 G1074 K1075 | V1048-T1070 PolarHBondContact N-O 2.99Å; V1048-T1070 PolarHBondContact O-N 3.25Å; T1050-T1070 VanDerWaalsContact CG2-OG1 3.28Å; T1050-T1070 WeakPolarHBondContact CG2-OG1 3.45Å; T1050-T1070 PolarHBondContact OG1-OG1 2.84Å; T1070-G1074 WeakPolarHBondContact CA-O 3.31Å; T1070-K1075 HydrophobicContact CG2-CG 4.1Å; T1070-K1075 WeakPolarHBondContact OG1-CE 3.3Å; T1070-K1075 WeakPolarHBondContact OG1-CG 3.13Å |
| 1071 | N | 80 | Confident | 81.7 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 32% | 0.316 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | -169.7 | 172.7 | 69.9 | 14.8 | 0 | 0 | 0 | 111.3 | A1047 S1073 G1074 | A1047-N1071 HydrophobicContact CB-CB 4.04Å; N1071-S1073 PolarHBondContact O-N 3.41Å; N1071-S1073 PolarHBondContact OD1-N 3.27Å; N1071-S1073 PolarHBondContact OD1-OG 3.38Å; N1071-G1074 PolarHBondContact N-O 2.98Å; N1071-G1074 PolarHBondContact O-N 3.47Å; N1071-G1074 PolarHBondContact OD1-N 2.93Å |
| 1072 | R | 70.1 | Confident | 82.6 | Confident | 268 Ų | 268 | 61 Ų | 61 | 100% | 1.011 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.8 | -179 | -68.1 | -173.8 | -177.8 | 174.3 | 2.7 | 114.7 | ||
| 1073 | S | 69.2 | Low | 83.6 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 10.4 | 174.8 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | N1071 | N1071-S1073 PolarHBondContact O-N 3.41Å; N1071-S1073 PolarHBondContact OD1-N 3.27Å; N1071-S1073 PolarHBondContact OD1-OG 3.38Å |
| 1074 | G | 75.7 | Confident | 84.2 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.1 | -159.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1070 N1071 | T1070-G1074 WeakPolarHBondContact CA-O 3.31Å; N1071-G1074 PolarHBondContact N-O 2.98Å; N1071-G1074 PolarHBondContact O-N 3.47Å; N1071-G1074 PolarHBondContact OD1-N 2.93Å |
| 1075 | K | 85.2 | Confident | 84.5 | Confident | 126 Ų | 126 | 61.3 Ų | 61.3 | 55% | 0.548 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 141.4 | 172.6 | -65 | -156.1 | 160.3 | -159.7 | 0 | 111 | E1068 L1069 T1070 | E1068-K1075 VanDerWaalsContact CD-NZ 3.33Å; E1068-K1075 HydrophobicContact CG-CD 4.38Å; E1068-K1075 IonicContact OE1-NZ 3.68Å; E1068-K1075 PolarHBondContact OE1-NZ 2.83Å; E1068-K1075 IonicContact OE2-NZ 3.64Å; E1068-K1075 PolarHBondContact OE2-NZ 2.81Å; L1069-K1075 CarbonylContact O-C 3.59Å; L1069-K1075 WeakPolarHBondContact O-CA 3.24Å; T1070-K1075 HydrophobicContact CG2-CG 4.1Å; T1070-K1075 WeakPolarHBondContact OG1-CE 3.3Å; T1070-K1075 WeakPolarHBondContact OG1-CG 3.13Å |
| 1076 | R | 84.6 | Confident | 84.4 | Confident | 123 Ų | 123 | 62.6 Ų | 62.6 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 135.2 | 171.5 | -66.1 | -175.6 | 178.4 | -168.5 | -0.8 | 110.7 | E1068 L1069 Y1078 | E1068-R1076 WeakPolarHBondContact CA-O 3.49Å; L1069-R1076 PolarHBondContact N-O 2.92Å; L1069-R1076 PolarHBondContact O-N 3.35Å; R1076-Y1078 HydrophobicContact CB-CD2 4.35Å; R1076-Y1078 HydrophobicContact CB-CE2 3.64Å; R1076-Y1078 WeakPolarHBondContact CD-OH 3.3Å |
| 1077 | E | 89.3 | Confident | 84.3 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.4 | 168.1 | -64.5 | -172.2 | 147 | 0 | 0 | 109.7 | K1055 F1066 V1067 E1068 W1079 | K1055-E1077 IonicContact NZ-OE1 3.67Å; K1055-E1077 PolarHBondContact NZ-OE1 2.79Å; K1055-E1077 IonicContact NZ-OE2 2.75Å; K1055-E1077 PolarHBondContact NZ-OE2 2.79Å; F1066-E1077 HydrophobicContact CD2-CB 4.47Å; F1066-E1077 HydrophobicContact CD2-CG 4.2Å; F1066-E1077 HydrophobicContact CE2-CG 4.5Å; V1067-E1077 CarbonylContact O-C 3.6Å; V1067-E1077 WeakPolarHBondContact O-CA 3.24Å; E1068-E1077 HydrophobicContact CB-CG 4.46Å; E1068-E1077 HydrophobicContact CG-CG 4.39Å; E1077-W1079 WeakPolarHBondContact OE2-CZ2 3.27Å |
| 1078 | Y | 88.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.2 | 175.6 | -66.3 | -86.1 | 0 | 0 | 0 | 110 | G1037 L1039 V1045 F1066 V1067 L1069 R1076 L1083 L1098 W1120 | G1037-Y1078 WeakPolarHBondContact O-CE1 3.43Å; L1039-Y1078 HydrophobicContact CD1-CD1 4.14Å; L1039-Y1078 HydrophobicContact CD1-CE1 3.58Å; L1039-Y1078 HydrophobicContact CG-CE1 3.78Å; V1045-Y1078 HydrophobicContact CG1-CE2 3.99Å; F1066-Y1078 CarbonylContact C-O 3.58Å; F1066-Y1078 WeakPolarHBondContact CA-O 3.27Å; V1067-Y1078 PolarHBondContact N-O 3.34Å; V1067-Y1078 PolarHBondContact O-N 2.99Å; L1069-Y1078 HydrophobicContact CB-CD2 4.4Å; L1069-Y1078 HydrophobicContact CB-CE2 4.24Å; L1069-Y1078 HydrophobicContact CD1-CD2 3.91Å; L1069-Y1078 HydrophobicContact CD1-CE2 3.93Å; L1069-Y1078 HydrophobicContact CG-CD2 4.1Å; L1069-Y1078 HydrophobicContact CG-CE2 4.31Å; R1076-Y1078 HydrophobicContact CB-CD2 4.35Å; R1076-Y1078 HydrophobicContact CB-CE2 3.64Å; R1076-Y1078 WeakPolarHBondContact CD-OH 3.3Å; Y1078-L1083 WeakPolarHBondContact O-CD1 3.37Å; Y1078-L1098 HydrophobicContact CD1-CD2 4.23Å; Y1078-L1098 HydrophobicContact CD2-CD2 3.89Å; Y1078-L1098 HydrophobicContact CG-CD2 3.69Å; Y1078-W1120 AromaticContact CD1-CH2 3.81Å; Y1078-W1120 HydrophobicContact CD1-CH2 3.81Å; Y1078-W1120 HydrophobicContact CD1-CZ3 4.47Å; Y1078-W1120 HydrophobicContact CG-CH2 4.44Å |
| 1079 | W | 86.5 | Confident | 83.6 | Confident | 18 Ų | 18 | 74 Ų | 74 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.1 | -163.4 | -61.5 | 85.1 | 0 | 0 | 0 | 113.7 | K1055 C1064 F1066 E1077 N1118 W1120 | K1055-W1079 HydrophobicContact CB-CH2 3.77Å; K1055-W1079 HydrophobicContact CB-CZ3 3.87Å; K1055-W1079 HydrophobicContact CD-CH2 3.65Å; K1055-W1079 HydrophobicContact CD-CZ2 4.25Å; K1055-W1079 HydrophobicContact CG-CH2 3.76Å; K1055-W1079 HydrophobicContact CG-CZ3 4.35Å; C1064-W1079 HydrophobicContact CB-CE3 4.16Å; F1066-W1079 HydrophobicContact CB-CD2 3.79Å; F1066-W1079 HydrophobicContact CB-CE3 3.6Å; F1066-W1079 HydrophobicContact CB-CG 4.47Å; F1066-W1079 HydrophobicContact CB-CH2 4.18Å; F1066-W1079 HydrophobicContact CB-CZ2 4.3Å; F1066-W1079 HydrophobicContact CB-CZ3 3.81Å; F1066-W1079 HydrophobicContact CG-CH2 4.47Å; F1066-W1079 HydrophobicContact CG-CZ3 4.43Å; E1077-W1079 WeakPolarHBondContact OE2-CZ2 3.27Å; W1079-N1118 PolarHBondContact O-ND2 3.41Å; W1079-W1120 PolarHBondContact O-NE1 3.17Å |
| 1080 | G | 82.7 | Confident | 83.3 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | trans | 150.8 | 137.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1065 G1082 L1083 | F1065-G1080 PolarHBondContact O-N 3.47Å; G1080-G1082 PolarHBondContact O-N 3.02Å; G1080-G1082 VanDerWaalsContact O-N 3.08Å; G1080-L1083 VanDerWaalsContact O-CB 3.24Å; G1080-L1083 WeakPolarHBondContact O-CB 3.49Å; G1080-L1083 VanDerWaalsContact O-CG 3.28Å; G1080-L1083 WeakPolarHBondContact O-CG 3.47Å; G1080-L1083 PolarHBondContact O-N 2.79Å | ||
| 1081 | N | 78.8 | Confident | 83.2 | Confident | 114 Ų | 114 | 80 Ų | 80 | 61% | 0.61 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.8 | -172.6 | -62.9 | -5.7 | 0 | 0 | 0 | 114.3 | C1064 L1083 E1084 | C1064-N1081 PolarHBondContact SG-OD1 2.92Å; N1081-L1083 PolarHBondContact O-N 2.87Å; N1081-E1084 PolarHBondContact O-N 2.87Å |
| 1082 | G | 82.5 | Confident | 83.4 | Confident | 41 Ų | 41 | 82.4 Ų | 82.4 | 42% | 0.423 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1080 E1084 E1085 L1086 | G1080-G1082 PolarHBondContact O-N 3.02Å; G1080-G1082 VanDerWaalsContact O-N 3.08Å; G1082-E1084 PolarHBondContact O-N 2.92Å; G1082-E1085 PolarHBondContact O-N 2.83Å; G1082-L1086 WeakPolarHBondContact O-CG 3.35Å |
| 1083 | L | 88.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -27 | 175.5 | -65.8 | 168.9 | 0 | 0 | 0 | 112.7 | F1065 V1067 Y1078 G1080 N1081 E1085 L1086 V1087 L1098 W1120 | F1065-L1083 HydrophobicContact CD1-CB 3.67Å; F1065-L1083 HydrophobicContact CE1-CB 4.31Å; V1067-L1083 HydrophobicContact CG1-CB 4.24Å; V1067-L1083 HydrophobicContact CG1-CD1 4.29Å; V1067-L1083 HydrophobicContact CG1-CD2 4.29Å; V1067-L1083 HydrophobicContact CG2-CD1 4.15Å; V1067-L1083 HydrophobicContact CG2-CD2 4.22Å; Y1078-L1083 WeakPolarHBondContact O-CD1 3.37Å; G1080-L1083 VanDerWaalsContact O-CB 3.24Å; G1080-L1083 WeakPolarHBondContact O-CB 3.49Å; G1080-L1083 VanDerWaalsContact O-CG 3.28Å; G1080-L1083 WeakPolarHBondContact O-CG 3.47Å; G1080-L1083 PolarHBondContact O-N 2.79Å; N1081-L1083 PolarHBondContact O-N 2.87Å; L1083-E1085 VanDerWaalsContact C-N 3.34Å; L1083-E1085 PolarHBondContact O-N 2.74Å; L1083-L1086 HydrophobicContact CD2-CD1 4.44Å; L1083-L1086 PolarHBondContact O-N 3.36Å; L1083-V1087 WeakPolarHBondContact O-CB 3.31Å; L1083-V1087 VanDerWaalsContact O-CG2 3.29Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.31Å; L1083-V1087 PolarHBondContact O-N 3.39Å; L1083-V1087 VanDerWaalsContact O-N 3.12Å; L1083-L1098 HydrophobicContact CD2-CD1 3.7Å; L1083-W1120 HydrophobicContact CD2-CB 3.87Å; L1083-W1120 HydrophobicContact CD2-CD2 4.02Å; L1083-W1120 HydrophobicContact CD2-CG 3.59Å; L1083-W1120 HydrophobicContact CG-CG 4.02Å |
| 1084 | E | 89.3 | Confident | 84.4 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 178.9 | -176.2 | 174.2 | -162.3 | 0 | 0 | 111.5 | F1065 N1081 G1082 K1088 | F1065-E1084 HydrophobicContact CB-CB 4.34Å; F1065-E1084 HydrophobicContact CD1-CB 4.32Å; F1065-E1084 HydrophobicContact CD2-CB 3.53Å; F1065-E1084 HydrophobicContact CD2-CG 3.82Å; F1065-E1084 HydrophobicContact CE2-CB 3.75Å; F1065-E1084 HydrophobicContact CE2-CG 3.66Å; F1065-E1084 HydrophobicContact CG-CB 3.82Å; F1065-E1084 HydrophobicContact CZ-CB 4.23Å; F1065-E1084 HydrophobicContact CZ-CG 4.32Å; N1081-E1084 PolarHBondContact O-N 2.87Å; G1082-E1084 PolarHBondContact O-N 2.92Å; E1084-K1088 WeakPolarHBondContact O-CG 3.32Å |
| 1085 | E | 86.9 | Confident | 84.7 | Confident | 132 Ų | 132 | 69.6 Ų | 69.6 | 62% | 0.617 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 179.7 | -167 | 106 | -96 | 0 | 0 | 111.6 | G1082 L1083 V1087 K1088 | G1082-E1085 PolarHBondContact O-N 2.83Å; L1083-E1085 VanDerWaalsContact C-N 3.34Å; L1083-E1085 PolarHBondContact O-N 2.74Å; E1085-V1087 VanDerWaalsContact C-N 3.32Å; E1085-V1087 PolarHBondContact O-N 3.46Å; E1085-K1088 WeakPolarHBondContact O-CB 3.35Å; E1085-K1088 PolarHBondContact O-N 3.09Å; E1085-K1088 IonicContact OE1-NZ 3.33Å; E1085-K1088 PolarHBondContact OE1-NZ 2.82Å |
| 1086 | L | 87.8 | Confident | 84.7 | Confident | 47 Ų | 47 | 63.6 Ų | 63.6 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -34.2 | -176.9 | -67.3 | 172.3 | 0 | 0 | 0 | 113 | G1082 L1083 H1090 W1120 I1122 | G1082-L1086 WeakPolarHBondContact O-CG 3.35Å; L1083-L1086 HydrophobicContact CD2-CD1 4.44Å; L1083-L1086 PolarHBondContact O-N 3.36Å; L1086-H1090 PolarHBondContact O-ND1 3.28Å; L1086-W1120 HydrophobicContact CD1-CB 3.54Å; L1086-W1120 WeakPolarHBondContact CD1-O 3.48Å; L1086-I1122 HydrophobicContact CB-CB 4.2Å; L1086-I1122 HydrophobicContact CB-CG2 3.68Å; L1086-I1122 HydrophobicContact CD2-CG2 4.27Å; L1086-I1122 HydrophobicContact CG-CG2 4.45Å; L1086-I1122 WeakPolarHBondContact O-CG2 3.49Å |
| 1087 | V | 88.8 | Confident | 84.8 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -88.3 | -7.5 | -176 | -180 | 0 | 0 | 0 | 0 | 113 | L1049 Y1052 F1065 V1067 L1083 E1085 N1089 H1090 I1122 | L1049-V1087 HydrophobicContact CD2-CG1 4.02Å; Y1052-V1087 HydrophobicContact CD1-CG1 3.63Å; Y1052-V1087 HydrophobicContact CD2-CG1 3.53Å; Y1052-V1087 HydrophobicContact CE1-CG1 3.73Å; Y1052-V1087 HydrophobicContact CE2-CG1 3.62Å; Y1052-V1087 HydrophobicContact CG-CG1 3.52Å; F1065-V1087 HydrophobicContact CE1-CB 4.49Å; V1067-V1087 HydrophobicContact CG1-CG2 3.64Å; L1083-V1087 WeakPolarHBondContact O-CB 3.31Å; L1083-V1087 VanDerWaalsContact O-CG2 3.29Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.31Å; L1083-V1087 PolarHBondContact O-N 3.39Å; L1083-V1087 VanDerWaalsContact O-N 3.12Å; E1085-V1087 VanDerWaalsContact C-N 3.32Å; E1085-V1087 PolarHBondContact O-N 3.46Å; V1087-N1089 PolarHBondContact O-N 3.02Å; V1087-H1090 HydrophobicContact CG1-CB 4.49Å; V1087-H1090 PolarHBondContact O-N 3.33Å; V1087-I1122 HydrophobicContact CG2-CD1 4.29Å |
| 1088 | K | 85.6 | Confident | 84.8 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -29.7 | 177.6 | -75.8 | 169.1 | -171.8 | 176.8 | 0 | 114.4 | E1084 E1085 | E1084-K1088 WeakPolarHBondContact O-CG 3.32Å; E1085-K1088 WeakPolarHBondContact O-CB 3.35Å; E1085-K1088 PolarHBondContact O-N 3.09Å; E1085-K1088 IonicContact OE1-NZ 3.33Å; E1085-K1088 PolarHBondContact OE1-NZ 2.82Å |
| 1089 | N | 81.9 | Confident | 84.8 | Confident | 150 Ų | 150 | 57.8 Ų | 57.8 | 80% | 0.802 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 6.7 | -176.8 | -61.9 | -16.1 | 0 | 0 | 0 | 113.8 | V1087 | V1087-N1089 PolarHBondContact O-N 3.02Š|
| 1090 | H | 82.5 | Confident | 84.9 | Confident | 23 Ų | 23 | 57 Ų | 57 | 11% | 0.106 | 31% | 0.306 | C | S | . | . | trans | -119.9 | 151.7 | -175.8 | -64.1 | 93.6 | 0 | 0 | 0 | 111.4 | L1049 Y1052 L1086 V1087 D1094 I1122 | L1049-H1090 HydrophobicContact CD2-CB 3.9Å; Y1052-H1090 PolarHBondContact OH-O 2.88Å; L1086-H1090 PolarHBondContact O-ND1 3.28Å; V1087-H1090 HydrophobicContact CG1-CB 4.49Å; V1087-H1090 PolarHBondContact O-N 3.33Å; H1090-D1094 VanDerWaalsContact CA-OD2 3.3Å; H1090-D1094 WeakPolarHBondContact CA-OD2 3.33Å; H1090-D1094 IonicContact CD2-OD2 3.44Å; H1090-I1122 VanDerWaalsContact CE1-CG2 3.43Å; H1090-I1122 WeakPolarHBondContact CE1-CG2 3.15Å | ||
| 1091 | Q | 82.5 | Confident | 85 | Confident | 143 Ų | 143 | 62 Ų | 62 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | trans | -113.2 | 167.8 | 174.8 | -61.8 | -161.9 | 47.7 | 0 | 0 | 112.6 | G1093 D1094 | Q1091-G1093 PolarHBondContact O-N 3.41Å; Q1091-D1094 VanDerWaalsContact N-CG 3.3Å; Q1091-D1094 PolarHBondContact N-OD2 2.94Å; Q1091-D1094 WeakPolarHBondContact O-CB 3.37Å; Q1091-D1094 VanDerWaalsContact O-CG 3.31Å; Q1091-D1094 PolarHBondContact O-N 3.06Å | ||
| 1092 | K | 85.1 | Confident | 85.2 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 48% | 0.483 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 117.9 | 175.8 | -60.7 | -175 | -174.5 | -172.4 | 0 | 109.1 | L1049 N1051 Y1052 | L1049-K1092 CarbonylContact O-C 3.46Å; L1049-K1092 WeakPolarHBondContact O-CA 3.42Å; N1051-K1092 PolarHBondContact OD1-NZ 3.49Å; Y1052-K1092 HydrophobicContact CD1-CD 4.49Å; Y1052-K1092 HydrophobicContact CD1-CG 3.9Å; Y1052-K1092 HydrophobicContact CE1-CD 4.21Å; Y1052-K1092 HydrophobicContact CE1-CG 3.38Å |
| 1093 | G | 78.6 | Confident | 85.3 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.4 | -14.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1049 Q1091 | L1049-G1093 PolarHBondContact O-N 3.33Å; Q1091-G1093 PolarHBondContact O-N 3.41Å |
| 1094 | D | 81.1 | Confident | 84.8 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | trans | -69.7 | 139.9 | -179.9 | -69.1 | 9.8 | 0 | 0 | 0 | 111.4 | L1049 H1090 Q1091 | L1049-D1094 WeakPolarHBondContact CB-O 3.46Å; L1049-D1094 PolarHBondContact N-O 3.41Å; H1090-D1094 VanDerWaalsContact CA-OD2 3.3Å; H1090-D1094 WeakPolarHBondContact CA-OD2 3.33Å; H1090-D1094 IonicContact CD2-OD2 3.44Å; Q1091-D1094 VanDerWaalsContact N-CG 3.3Å; Q1091-D1094 PolarHBondContact N-OD2 2.94Å; Q1091-D1094 WeakPolarHBondContact O-CB 3.37Å; Q1091-D1094 VanDerWaalsContact O-CG 3.31Å; Q1091-D1094 PolarHBondContact O-N 3.06Å | ||
| 1095 | P | 81.6 | Confident | 84.3 | Confident | 30 Ų | 30 | 65 Ų | 65 | 20% | 0.195 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128.2 | 171.5 | 35.4 | -34.4 | 0 | 0 | 0 | 110.2 | V1125 T1130 | P1095-V1125 HydrophobicContact CB-CB 3.87Å; P1095-V1125 HydrophobicContact CB-CG2 3.95Å; P1095-V1125 HydrophobicContact CG-CB 4.12Å; P1095-V1125 PolarHBondContact O-N 2.98Å; P1095-T1130 HydrophobicContact CB-CG2 3.55Å; P1095-T1130 WeakPolarHBondContact CB-OG1 3.39Å; P1095-T1130 HydrophobicContact CG-CG2 3.62Å; P1095-T1130 VanDerWaalsContact CG-OG1 3.29Å; P1095-T1130 WeakPolarHBondContact CG-OG1 3.03Å |
| 1096 | V | 86 | Confident | 83.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.6 | -176.4 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | T1046 A1047 L1049 L1069 I1122 T1123 | T1046-V1096 WeakPolarHBondContact CA-O 3.35Å; A1047-V1096 PolarHBondContact N-O 2.82Å; A1047-V1096 PolarHBondContact O-N 3.41Å; A1047-V1096 VanDerWaalsContact O-O 3.09Å; L1049-V1096 HydrophobicContact CB-CG1 4.46Å; L1049-V1096 HydrophobicContact CB-CG2 3.95Å; L1069-V1096 HydrophobicContact CD2-CG2 3.52Å; V1096-I1122 HydrophobicContact CB-CD1 3.84Å; V1096-I1122 HydrophobicContact CB-CG1 3.74Å; V1096-I1122 HydrophobicContact CG1-CD1 3.76Å; V1096-I1122 HydrophobicContact CG1-CG1 3.94Å; V1096-I1122 HydrophobicContact CG2-CD1 4.07Å; V1096-I1122 HydrophobicContact CG2-CG1 4.37Å; V1096-T1123 WeakPolarHBondContact CA-O 3.34Å |
| 1097 | T | 87 | Confident | 83.2 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 111.7 | 159.5 | -65.7 | 0 | 0 | 0 | 0 | 107.3 | V1045 T1046 I1122 T1123 | V1045-T1097 WeakPolarHBondContact O-CA 3.26Å; T1046-T1097 PolarHBondContact OG1-OG1 2.97Å; T1097-I1122 WeakPolarHBondContact O-CA 3.48Å; T1097-T1123 PolarHBondContact N-O 3.09Å; T1097-T1123 PolarHBondContact O-N 2.7Å |
| 1098 | L | 89.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.7 | 174.1 | -179.2 | 75.6 | 0 | 0 | 0 | 108.8 | S1044 V1045 V1067 L1069 Y1078 L1083 W1120 I1122 | S1044-L1098 CarbonylContact C-O 3.47Å; S1044-L1098 VanDerWaalsContact CA-O 3.27Å; S1044-L1098 WeakPolarHBondContact CA-O 3.37Å; V1045-L1098 HydrophobicContact CG1-CB 4.1Å; V1045-L1098 PolarHBondContact N-O 2.85Å; V1045-L1098 PolarHBondContact O-N 3.32Å; V1067-L1098 HydrophobicContact CG2-CD2 3.94Å; L1069-L1098 HydrophobicContact CD1-CB 3.69Å; L1069-L1098 HydrophobicContact CD1-CD2 3.78Å; L1069-L1098 HydrophobicContact CD1-CG 4.37Å; Y1078-L1098 HydrophobicContact CD1-CD2 4.23Å; Y1078-L1098 HydrophobicContact CD2-CD2 3.89Å; Y1078-L1098 HydrophobicContact CG-CD2 3.69Å; L1083-L1098 HydrophobicContact CD2-CD1 3.7Å; L1098-W1120 HydrophobicContact CD1-CD2 4.38Å; L1098-W1120 HydrophobicContact CD1-CE3 3.9Å; L1098-W1120 HydrophobicContact CD2-CE3 4.01Å; L1098-W1120 HydrophobicContact CD2-CH2 4.39Å; L1098-W1120 HydrophobicContact CD2-CZ3 3.85Å; L1098-W1120 HydrophobicContact CG-CE3 3.8Å; L1098-W1120 HydrophobicContact CG-CZ3 3.97Å; L1098-I1122 HydrophobicContact CD1-CB 4.37Å; L1098-I1122 HydrophobicContact CD1-CD1 4.41Å; L1098-I1122 HydrophobicContact CD1-CG1 4.22Å |
| 1099 | T | 88.2 | Confident | 81 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.3 | -178.4 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | S1044 Q1101 A1121 | S1044-T1099 WeakPolarHBondContact CB-OG1 3.48Å; T1099-Q1101 PolarHBondContact O-N 3.35Å; T1099-A1121 PolarHBondContact N-O 3.47Å; T1099-A1121 PolarHBondContact O-N 2.77Å |
| 1100 | L | 87.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 103.1 | 166.7 | -177.1 | 68.6 | 0 | 0 | 0 | 108 | L1039 P1041 G1042 E1043 R1103 N1118 W1120 | L1039-L1100 HydrophobicContact CB-CB 4.03Å; L1039-L1100 WeakPolarHBondContact O-CD2 3.11Å; P1041-L1100 CarbonylContact C-O 3.54Å; P1041-L1100 WeakPolarHBondContact CA-O 3.18Å; G1042-L1100 PolarHBondContact N-O 2.74Å; E1043-L1100 PolarHBondContact O-N 2.96Å; E1043-L1100 VanDerWaalsContact O-N 3.07Å; L1100-R1103 HydrophobicContact CD2-CG 4.25Å; L1100-N1118 HydrophobicContact CD1-CB 3.64Å; L1100-W1120 HydrophobicContact CB-CE3 4.08Å; L1100-W1120 HydrophobicContact CB-CH2 4.26Å; L1100-W1120 HydrophobicContact CB-CZ3 3.68Å; L1100-W1120 HydrophobicContact CD1-CD2 4.09Å; L1100-W1120 HydrophobicContact CD1-CE3 4.02Å; L1100-W1120 HydrophobicContact CD1-CH2 4.1Å; L1100-W1120 HydrophobicContact CD1-CZ2 4.19Å; L1100-W1120 HydrophobicContact CD1-CZ3 4.02Å; L1100-W1120 HydrophobicContact CG-CZ3 4.42Å |
| 1101 | Q | 85.7 | Confident | 79.9 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -48.2 | -179.5 | -67.8 | -173.9 | -36.9 | 0 | 0 | 111.4 | T1099 I1119 A1121 | T1099-Q1101 PolarHBondContact O-N 3.35Å; Q1101-I1119 HydrophobicContact CB-CG2 4.18Å; Q1101-I1119 PolarHBondContact N-O 3.29Å; Q1101-A1121 HydrophobicContact CG-CB 3.85Å |
| 1102 | A | 83.1 | Confident | 79.2 | Confident | 37 Ų | 37 | 69.4 Ų | 69.4 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 171.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1119 | A1102-I1119 HydrophobicContact CB-CB 4.3Å; A1102-I1119 HydrophobicContact CB-CD1 4.2Å; A1102-I1119 PolarHBondContact N-O 2.88Å; A1102-I1119 PolarHBondContact O-N 3.43Å |
| 1103 | R | 83 | Confident | 78.6 | Confident | 126 Ų | 126 | 72.2 Ų | 72.2 | 48% | 0.475 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.6 | 166.4 | -67 | -177.7 | -172 | 140.4 | 8.9 | 108.2 | L1039 P1041 L1100 I1116 R1117 | L1039-R1103 PolarHBondContact O-NH2 2.96Å; P1041-R1103 HydrophobicContact CG-CG 4.49Å; L1100-R1103 HydrophobicContact CD2-CG 4.25Å; R1103-I1116 HydrophobicContact CB-CG2 3.85Å; R1103-I1116 HydrophobicContact CG-CG2 4.37Å; R1103-R1117 WeakPolarHBondContact CA-O 3.23Å |
| 1104 | E | 78.6 | Confident | 78.5 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 33% | 0.327 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.4 | -176.1 | -175.6 | -166.6 | 149.4 | 0 | 0 | 110.6 | I1116 R1117 I1119 | E1104-I1116 CarbonylContact O-C 3.54Å; E1104-I1116 WeakPolarHBondContact O-CA 3.44Å; E1104-R1117 HydrophobicContact CB-CG 3.9Å; E1104-R1117 PolarHBondContact N-O 2.97Å; E1104-R1117 PolarHBondContact O-N 3.32Å; E1104-R1117 IonicContact OE1-CZ 2.6Å; E1104-R1117 IonicContact OE1-NE 2.65Å; E1104-R1117 PolarHBondContact OE1-NE 3.41Å; E1104-R1117 IonicContact OE1-NH2 2.91Å; E1104-R1117 PolarHBondContact OE1-NH2 3.47Å; E1104-R1117 IonicContact OE2-CZ 2.68Å; E1104-R1117 IonicContact OE2-NE 3.87Å; E1104-R1117 PolarHBondContact OE2-NE 2.98Å; E1104-R1117 IonicContact OE2-NH2 3.48Å; E1104-R1117 PolarHBondContact OE2-NH2 2.88Å; E1104-I1119 HydrophobicContact CB-CD1 4.08Å; E1104-I1119 HydrophobicContact CB-CG1 4.45Å |
| 1105 | T | 80 | Confident | 78 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.8 | 179.4 | -53.1 | 0 | 0 | 0 | 0 | 110.2 | D1114 R1115 | T1105-D1114 HydrophobicContact CG2-CB 3.62Å; T1105-R1115 CarbonylContact C-O 3.48Å; T1105-R1115 WeakPolarHBondContact CA-O 3.31Å |
| 1106 | F | 75.6 | Confident | 77.5 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 29% | 0.285 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.6 | 179.7 | 75.3 | -79.4 | 0 | 0 | 0 | 111.4 | L1108 R1115 R1117 | F1106-L1108 HydrophobicContact CD2-CD2 4.43Å; F1106-L1108 HydrophobicContact CE2-CD2 3.96Å; F1106-L1108 HydrophobicContact CE2-CG 4.13Å; F1106-R1115 HydrophobicContact CD1-CB 4.06Å; F1106-R1115 WeakPolarHBondContact CD1-O 3.34Å; F1106-R1115 HydrophobicContact CE1-CB 3.56Å; F1106-R1115 HydrophobicContact CE2-CB 4.14Å; F1106-R1115 HydrophobicContact CZ-CB 3.62Å; F1106-R1115 HydrophobicContact CZ-CG 4.41Å; F1106-R1115 PolarHBondContact N-O 3.38Å; F1106-R1115 PolarHBondContact O-N 3.34Å; F1106-R1117 HydrophobicContact CD1-CB 4.15Å; F1106-R1117 HydrophobicContact CD1-CG 4.09Å; F1106-R1117 HydrophobicContact CE1-CB 3.89Å; F1106-R1117 HydrophobicContact CE1-CG 4.34Å |
| 1107 | R | 75.9 | Confident | 77 | Confident | 153 Ų | 153 | 86.8 Ų | 86.8 | 58% | 0.577 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.7 | -179.9 | -164.4 | 176.6 | -63 | 171.2 | -0.8 | 110.1 | E1111 D1114 | R1107-E1111 WeakPolarHBondContact CD-O 3.38Å; R1107-E1111 VanDerWaalsContact CG-O 3.32Å; R1107-E1111 WeakPolarHBondContact CG-O 3.35Å; R1107-D1114 IonicContact CZ-OD1 3.75Å; R1107-D1114 IonicContact CZ-OD2 2.77Å; R1107-D1114 IonicContact NE-OD1 3.16Å; R1107-D1114 PolarHBondContact NE-OD1 3.39Å; R1107-D1114 IonicContact NE-OD2 3.74Å; R1107-D1114 IonicContact NH2-OD1 2.66Å; R1107-D1114 PolarHBondContact NH2-OD1 3.43Å; R1107-D1114 IonicContact NH2-OD2 3.83Å; R1107-D1114 PolarHBondContact NH2-OD2 2.94Å |
| 1108 | L | 70.5 | Confident | 76.8 | Confident | 82 Ų | 82 | 87.4 Ų | 87.4 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | trans | -75.5 | 144.8 | 176.6 | -70.2 | 178 | 0 | 0 | 0 | 110.9 | F1106 G1110 E1111 | F1106-L1108 HydrophobicContact CD2-CD2 4.43Å; F1106-L1108 HydrophobicContact CE2-CD2 3.96Å; F1106-L1108 HydrophobicContact CE2-CG 4.13Å; L1108-G1110 PolarHBondContact O-N 2.77Å; L1108-G1110 VanDerWaalsContact O-N 3.14Å; L1108-E1111 HydrophobicContact CB-CB 4.09Å; L1108-E1111 PolarHBondContact O-N 2.7Å | ||
| 1109 | S | 57.5 | Low | 76.6 | Confident | 136 Ų | 136 | 90.1 Ų | 90.1 | 95% | 0.951 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 116.9 | 179 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1110 | G | 68.6 | Low | 76.7 | Confident | 87 Ų | 87 | 89.2 Ų | 89.2 | 90% | 0.897 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | -3.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1108 | L1108-G1110 PolarHBondContact O-N 2.77Å; L1108-G1110 VanDerWaalsContact O-N 3.14Å |
| 1111 | E | 72.4 | Confident | 76.7 | Confident | 61 Ų | 61 | 90.2 Ų | 90.2 | 29% | 0.285 | 46% | 0.464 | S | S | . | . | trans | -104.3 | 138.6 | 176.4 | -164.3 | 167.8 | -139.6 | 0 | 0 | 111.2 | R1107 L1108 R1113 R1115 | R1107-E1111 WeakPolarHBondContact CD-O 3.38Å; R1107-E1111 VanDerWaalsContact CG-O 3.32Å; R1107-E1111 WeakPolarHBondContact CG-O 3.35Å; L1108-E1111 HydrophobicContact CB-CB 4.09Å; L1108-E1111 PolarHBondContact O-N 2.7Å; E1111-R1113 HydrophobicContact CG-CB 4.43Å; E1111-R1115 VanDerWaalsContact CD-NH2 3.28Å; E1111-R1115 IonicContact OE1-CZ 3.8Å; E1111-R1115 IonicContact OE1-NE 3.53Å; E1111-R1115 IonicContact OE1-NH2 3.65Å; E1111-R1115 PolarHBondContact OE1-NH2 3.28Å; E1111-R1115 IonicContact OE2-CZ 2.64Å; E1111-R1115 VanDerWaalsContact OE2-CZ 3.26Å; E1111-R1115 IonicContact OE2-NE 2.83Å; E1111-R1115 PolarHBondContact OE2-NE 3.28Å; E1111-R1115 IonicContact OE2-NH2 2.63Å; E1111-R1115 PolarHBondContact OE2-NH2 2.98Å | ||
| 1112 | T | 67.5 | Low | 76.8 | Confident | 136 Ų | 136 | 85.4 Ų | 85.4 | 83% | 0.834 | 44% | 0.442 | S | S | * | . | trans | -93.3 | -9 | -179.8 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1113 | R | 73.3 | Confident | 76.8 | Confident | 171 Ų | 171 | 87.2 Ų | 87.2 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -93.8 | 135.9 | 176.5 | -68.5 | -176.1 | 175.7 | -170.4 | -4.4 | 110.1 | E1111 | E1111-R1113 HydrophobicContact CG-CB 4.43Š|
| 1114 | D | 74.7 | Confident | 76.6 | Confident | 76 Ų | 76 | 85.1 Ų | 85.1 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 146.2 | 165.9 | -70.1 | -45 | 0 | 0 | 0 | 110.2 | T1105 R1107 | T1105-D1114 HydrophobicContact CG2-CB 3.62Å; R1107-D1114 IonicContact CZ-OD1 3.75Å; R1107-D1114 IonicContact CZ-OD2 2.77Å; R1107-D1114 IonicContact NE-OD1 3.16Å; R1107-D1114 PolarHBondContact NE-OD1 3.39Å; R1107-D1114 IonicContact NE-OD2 3.74Å; R1107-D1114 IonicContact NH2-OD1 2.66Å; R1107-D1114 PolarHBondContact NH2-OD1 3.43Å; R1107-D1114 IonicContact NH2-OD2 3.83Å; R1107-D1114 PolarHBondContact NH2-OD2 2.94Å |
| 1115 | R | 71.2 | Confident | 75.9 | Confident | 112 Ų | 112 | 83 Ų | 83 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.5 | 177.4 | -64 | -175 | 179.7 | -132.2 | -1.8 | 109 | T1105 F1106 E1111 | T1105-R1115 CarbonylContact C-O 3.48Å; T1105-R1115 WeakPolarHBondContact CA-O 3.31Å; F1106-R1115 HydrophobicContact CD1-CB 4.06Å; F1106-R1115 WeakPolarHBondContact CD1-O 3.34Å; F1106-R1115 HydrophobicContact CE1-CB 3.56Å; F1106-R1115 HydrophobicContact CE2-CB 4.14Å; F1106-R1115 HydrophobicContact CZ-CB 3.62Å; F1106-R1115 HydrophobicContact CZ-CG 4.41Å; F1106-R1115 PolarHBondContact N-O 3.38Å; F1106-R1115 PolarHBondContact O-N 3.34Å; E1111-R1115 VanDerWaalsContact CD-NH2 3.28Å; E1111-R1115 IonicContact OE1-CZ 3.8Å; E1111-R1115 IonicContact OE1-NE 3.53Å; E1111-R1115 IonicContact OE1-NH2 3.65Å; E1111-R1115 PolarHBondContact OE1-NH2 3.28Å; E1111-R1115 IonicContact OE2-CZ 2.64Å; E1111-R1115 VanDerWaalsContact OE2-CZ 3.26Å; E1111-R1115 IonicContact OE2-NE 2.83Å; E1111-R1115 PolarHBondContact OE2-NE 3.28Å; E1111-R1115 IonicContact OE2-NH2 2.63Å; E1111-R1115 PolarHBondContact OE2-NH2 2.98Å |
| 1116 | I | 72.2 | Confident | 74.5 | Confident | 113 Ų | 113 | 84 Ų | 84 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.2 | 176.8 | -57.6 | 176.6 | 0 | 0 | 0 | 109.2 | R1103 E1104 | R1103-I1116 HydrophobicContact CB-CG2 3.85Å; R1103-I1116 HydrophobicContact CG-CG2 4.37Å; E1104-I1116 CarbonylContact O-C 3.54Å; E1104-I1116 WeakPolarHBondContact O-CA 3.44Å |
| 1117 | R | 75.3 | Confident | 73 | Confident | 129 Ų | 129 | 85.6 Ų | 85.6 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.1 | 165.6 | 66.1 | -177.9 | -172.7 | -174.3 | 0.3 | 110.8 | R1103 E1104 F1106 | R1103-R1117 WeakPolarHBondContact CA-O 3.23Å; E1104-R1117 HydrophobicContact CB-CG 3.9Å; E1104-R1117 PolarHBondContact N-O 2.97Å; E1104-R1117 PolarHBondContact O-N 3.32Å; E1104-R1117 IonicContact OE1-CZ 2.6Å; E1104-R1117 IonicContact OE1-NE 2.65Å; E1104-R1117 PolarHBondContact OE1-NE 3.41Å; E1104-R1117 IonicContact OE1-NH2 2.91Å; E1104-R1117 PolarHBondContact OE1-NH2 3.47Å; E1104-R1117 IonicContact OE2-CZ 2.68Å; E1104-R1117 IonicContact OE2-NE 3.87Å; E1104-R1117 PolarHBondContact OE2-NE 2.98Å; E1104-R1117 IonicContact OE2-NH2 3.48Å; E1104-R1117 PolarHBondContact OE2-NH2 2.88Å; F1106-R1117 HydrophobicContact CD1-CB 4.15Å; F1106-R1117 HydrophobicContact CD1-CG 4.09Å; F1106-R1117 HydrophobicContact CE1-CB 3.89Å; F1106-R1117 HydrophobicContact CE1-CG 4.34Å |
| 1118 | N | 82.7 | Confident | 71.4 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.2 | 168.4 | -72.3 | -24.1 | 0 | 0 | 0 | 109.1 | W1079 L1100 W1120 | W1079-N1118 PolarHBondContact O-ND2 3.41Å; L1100-N1118 HydrophobicContact CD1-CB 3.64Å; N1118-W1120 HydrophobicContact CB-CZ2 4.21Å |
| 1119 | I | 85.3 | Confident | 70.4 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 29% | 0.287 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 108.7 | 169.2 | -56.9 | -176.2 | 0 | 0 | 0 | 107.2 | Q1101 A1102 E1104 | Q1101-I1119 HydrophobicContact CB-CG2 4.18Å; Q1101-I1119 PolarHBondContact N-O 3.29Å; A1102-I1119 HydrophobicContact CB-CB 4.3Å; A1102-I1119 HydrophobicContact CB-CD1 4.2Å; A1102-I1119 PolarHBondContact N-O 2.88Å; A1102-I1119 PolarHBondContact O-N 3.43Å; E1104-I1119 HydrophobicContact CB-CD1 4.08Å; E1104-I1119 HydrophobicContact CB-CG1 4.45Å |
| 1120 | W | 89.1 | Confident | 69.8 | Low | 16 Ų | 16 | 75.5 Ų | 75.5 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 150.6 | -179.4 | -67.3 | 110.9 | 0 | 0 | 0 | 110.8 | L1039 Y1078 W1079 L1083 L1086 L1098 L1100 N1118 | L1039-W1120 HydrophobicContact CD1-CH2 4.26Å; L1039-W1120 HydrophobicContact CD1-CZ3 3.8Å; Y1078-W1120 AromaticContact CD1-CH2 3.81Å; Y1078-W1120 HydrophobicContact CD1-CH2 3.81Å; Y1078-W1120 HydrophobicContact CD1-CZ3 4.47Å; Y1078-W1120 HydrophobicContact CG-CH2 4.44Å; W1079-W1120 PolarHBondContact O-NE1 3.17Å; L1083-W1120 HydrophobicContact CD2-CB 3.87Å; L1083-W1120 HydrophobicContact CD2-CD2 4.02Å; L1083-W1120 HydrophobicContact CD2-CG 3.59Å; L1083-W1120 HydrophobicContact CG-CG 4.02Å; L1086-W1120 HydrophobicContact CD1-CB 3.54Å; L1086-W1120 WeakPolarHBondContact CD1-O 3.48Å; L1098-W1120 HydrophobicContact CD1-CD2 4.38Å; L1098-W1120 HydrophobicContact CD1-CE3 3.9Å; L1098-W1120 HydrophobicContact CD2-CE3 4.01Å; L1098-W1120 HydrophobicContact CD2-CH2 4.39Å; L1098-W1120 HydrophobicContact CD2-CZ3 3.85Å; L1098-W1120 HydrophobicContact CG-CE3 3.8Å; L1098-W1120 HydrophobicContact CG-CZ3 3.97Å; L1100-W1120 HydrophobicContact CB-CE3 4.08Å; L1100-W1120 HydrophobicContact CB-CH2 4.26Å; L1100-W1120 HydrophobicContact CB-CZ3 3.68Å; L1100-W1120 HydrophobicContact CD1-CD2 4.09Å; L1100-W1120 HydrophobicContact CD1-CE3 4.02Å; L1100-W1120 HydrophobicContact CD1-CH2 4.1Å; L1100-W1120 HydrophobicContact CD1-CZ2 4.19Å; L1100-W1120 HydrophobicContact CD1-CZ3 4.02Å; L1100-W1120 HydrophobicContact CG-CZ3 4.42Å; N1118-W1120 HydrophobicContact CB-CZ2 4.21Å |
| 1121 | A | 88.3 | Confident | 68.8 | Low | 22 Ų | 22 | 73 Ų | 73 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 146.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109 | T1099 Q1101 | T1099-A1121 PolarHBondContact N-O 3.47Å; T1099-A1121 PolarHBondContact O-N 2.77Å; Q1101-A1121 HydrophobicContact CG-CB 3.85Å |
| 1122 | I | 88.8 | Confident | 67.4 | Low | 16 Ų | 16 | 74.4 Ų | 74.4 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.6 | 171.1 | -150.1 | 170.7 | 0 | 0 | 0 | 107.6 | L1086 V1087 H1090 V1096 T1097 L1098 | L1086-I1122 HydrophobicContact CB-CB 4.2Å; L1086-I1122 HydrophobicContact CB-CG2 3.68Å; L1086-I1122 HydrophobicContact CD2-CG2 4.27Å; L1086-I1122 HydrophobicContact CG-CG2 4.45Å; L1086-I1122 WeakPolarHBondContact O-CG2 3.49Å; V1087-I1122 HydrophobicContact CG2-CD1 4.29Å; H1090-I1122 VanDerWaalsContact CE1-CG2 3.43Å; H1090-I1122 WeakPolarHBondContact CE1-CG2 3.15Å; V1096-I1122 HydrophobicContact CB-CD1 3.84Å; V1096-I1122 HydrophobicContact CB-CG1 3.74Å; V1096-I1122 HydrophobicContact CG1-CD1 3.76Å; V1096-I1122 HydrophobicContact CG1-CG1 3.94Å; V1096-I1122 HydrophobicContact CG2-CD1 4.07Å; V1096-I1122 HydrophobicContact CG2-CG1 4.37Å; T1097-I1122 WeakPolarHBondContact O-CA 3.48Å; L1098-I1122 HydrophobicContact CD1-CB 4.37Å; L1098-I1122 HydrophobicContact CD1-CD1 4.41Å; L1098-I1122 HydrophobicContact CD1-CG1 4.22Å |
| 1123 | T | 83.3 | Confident | 66.3 | Low | 75 Ų | 75 | 75 Ų | 75 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.8 | 169.4 | 50.4 | 0 | 0 | 0 | 0 | 109.7 | V1096 T1097 | V1096-T1123 WeakPolarHBondContact CA-O 3.34Å; T1097-T1123 PolarHBondContact N-O 3.09Å; T1097-T1123 PolarHBondContact O-N 2.7Å |
| 1124 | P | 78.9 | Confident | 65.2 | Low | 81 Ų | 81 | 73.2 Ų | 73.2 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 140.8 | 170.2 | 29.2 | -34.4 | 0 | 0 | 0 | 108.9 | S1126 | P1124-S1126 PolarHBondContact O-N 2.79Å |
| 1125 | V | 63.9 | Low | 64 | Low | 25 Ų | 25 | 75 Ų | 75 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | trans | -80.1 | 90.9 | 179.3 | -174 | 0 | 0 | 0 | 0 | 108.8 | T1046 P1095 N1127 | T1046-V1125 HydrophobicContact CG2-CG1 4.3Å; T1046-V1125 HydrophobicContact CG2-CG2 3.63Å; P1095-V1125 HydrophobicContact CB-CB 3.87Å; P1095-V1125 HydrophobicContact CB-CG2 3.95Å; P1095-V1125 HydrophobicContact CG-CB 4.12Å; P1095-V1125 PolarHBondContact O-N 2.98Å; V1125-N1127 HydrophobicContact CG1-CB 3.88Å; V1125-N1127 PolarHBondContact O-N 2.88Å | ||
| 1126 | S | 50.3 | Low | 62.9 | Low | 114 Ų | 114 | 73 Ų | 73 | 80% | 0.797 | 41% | 0.405 | S | S | * | . | trans | -72.6 | 4.8 | 173.1 | 48.5 | 0 | 0 | 0 | 0 | 114 | P1124 G1128 | P1124-S1126 PolarHBondContact O-N 2.79Å; S1126-G1128 PolarHBondContact O-N 3.1Å | ||
| 1127 | N | 42.6 | Very low | 61.9 | Low | 98 Ų | 98 | 73.4 Ų | 73.4 | 52% | 0.524 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -82.2 | 103.7 | 164.1 | -50.9 | 12.1 | 0 | 0 | 0 | 106.4 | V1125 I1129 | V1125-N1127 HydrophobicContact CG1-CB 3.88Å; V1125-N1127 PolarHBondContact O-N 2.88Å; N1127-I1129 PolarHBondContact O-N 3.5Å |
| 1128 | G | 43 | Very low | 60.9 | Low | 22 Ų | 22 | 69.7 Ų | 69.7 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 24.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S1126 T1130 E1182 | S1126-G1128 PolarHBondContact O-N 3.1Å; G1128-T1130 PolarHBondContact O-N 3.19Å; G1128-E1182 VanDerWaalsContact C-CD 3.45Å; G1128-E1182 VanDerWaalsContact CA-CD 3.45Å; G1128-E1182 VanDerWaalsContact CA-OE1 3.28Å; G1128-E1182 WeakPolarHBondContact CA-OE1 3.41Å; G1128-E1182 WeakPolarHBondContact CA-OE2 3.32Å; G1128-E1182 PolarHBondContact N-OE2 2.8Å |
| 1129 | I | 49.9 | Very low | 59.6 | Low | 80 Ų | 80 | 70.1 Ų | 70.1 | 41% | 0.41 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.8 | 172.8 | -58.1 | 172.1 | 0 | 0 | 0 | 111.3 | N1127 V1131 E1182 | N1127-I1129 PolarHBondContact O-N 3.5Å; I1129-V1131 WeakPolarHBondContact O-CG2 3.44Å; I1129-V1131 PolarHBondContact O-N 2.81Å; I1129-E1182 HydrophobicContact CG1-CB 3.76Å |
| 1130 | T | 44.9 | Very low | 58.5 | Low | 56 Ų | 56 | 68.1 Ų | 68.1 | 34% | 0.344 | 41% | 0.405 | S | S | . | . | trans | -79.8 | 121.2 | -179.1 | -49.7 | 0 | 0 | 0 | 0 | 112 | P1095 G1128 | P1095-T1130 HydrophobicContact CB-CG2 3.55Å; P1095-T1130 WeakPolarHBondContact CB-OG1 3.39Å; P1095-T1130 HydrophobicContact CG-CG2 3.62Å; P1095-T1130 VanDerWaalsContact CG-OG1 3.29Å; P1095-T1130 WeakPolarHBondContact CG-OG1 3.03Å; G1128-T1130 PolarHBondContact O-N 3.19Å | ||
| 1131 | V | 46.3 | Very low | 57.8 | Low | 35 Ų | 35 | 70.8 Ų | 70.8 | 21% | 0.212 | 42% | 0.417 | C | S | . | . | trans | -134.9 | 158.4 | -176.8 | -121.1 | 0 | 0 | 0 | 0 | 109.1 | I1129 N1133 Q1135 A1138 Q1140 | I1129-V1131 WeakPolarHBondContact O-CG2 3.44Å; I1129-V1131 PolarHBondContact O-N 2.81Å; V1131-N1133 PolarHBondContact O-N 2.73Å; V1131-Q1135 WeakPolarHBondContact CG1-O 3.49Å; V1131-A1138 VanDerWaalsContact CG1-O 3.28Å; V1131-A1138 WeakPolarHBondContact CG1-O 3.13Å; V1131-Q1140 HydrophobicContact CG1-CG 3.99Å; V1131-Q1140 HydrophobicContact CG2-CG 3.8Å | ||
| 1132 | N | 44.9 | Very low | 57.6 | Low | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | trans | -57.5 | 132.2 | 169.7 | -177.5 | -13.7 | 0 | 0 | 0 | 109.2 | D1134 Q1135 | N1132-D1134 PolarHBondContact O-N 2.75Å; N1132-D1134 VanDerWaalsContact O-N 3.16Å; N1132-D1134 PolarHBondContact OD1-N 3.24Å; N1132-Q1135 HydrophobicContact CB-CB 4.48Å; N1132-Q1135 CarbonylContact O-C 3.02Å; N1132-Q1135 WeakPolarHBondContact O-CA 3.44Å; N1132-Q1135 PolarHBondContact O-N 3.23Å | ||
| 1133 | N | 44 | Very low | 57.5 | Low | 149 Ų | 149 | 70.2 Ų | 70.2 | 80% | 0.797 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.2 | 178.9 | -175 | 85.3 | 0 | 0 | 0 | 112.9 | V1131 Q1135 | V1131-N1133 PolarHBondContact O-N 2.73Å; N1133-Q1135 VanDerWaalsContact C-N 3.31Å |
| 1134 | D | 49.4 | Very low | 57.8 | Low | 132 Ų | 132 | 68.2 Ų | 68.2 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -14.7 | 175.3 | -59.7 | -26.3 | 0 | 0 | 0 | 113.2 | N1132 | N1132-D1134 PolarHBondContact O-N 2.75Å; N1132-D1134 VanDerWaalsContact O-N 3.16Å; N1132-D1134 PolarHBondContact OD1-N 3.24Å |
| 1135 | Q | 50.2 | Low | 58.4 | Low | 114 Ų | 114 | 64.3 Ų | 64.3 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | trans | -144.3 | 69.5 | -175.8 | -59.9 | -172.8 | 2 | 0 | 0 | 111.4 | V1131 N1132 N1133 H1137 A1138 | V1131-Q1135 WeakPolarHBondContact CG1-O 3.49Å; N1132-Q1135 HydrophobicContact CB-CB 4.48Å; N1132-Q1135 CarbonylContact O-C 3.02Å; N1132-Q1135 WeakPolarHBondContact O-CA 3.44Å; N1132-Q1135 PolarHBondContact O-N 3.23Å; N1133-Q1135 VanDerWaalsContact C-N 3.31Å; Q1135-H1137 PolarHBondContact O-N 2.98Å; Q1135-A1138 HydrophobicContact CB-CB 3.65Å; Q1135-A1138 PolarHBondContact O-N 3.18Å | ||
| 1136 | P | 48.1 | Very low | 59.7 | Low | 69 Ų | 69 | 65 Ų | 65 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 13.4 | -174.7 | 28.7 | -37.6 | 0 | 0 | 0 | 116.1 | ||
| 1137 | H | 51.4 | Low | 61.6 | Low | 122 Ų | 122 | 60.4 Ų | 60.4 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.9 | -0.5 | 175.8 | -51.5 | -51.2 | 0 | 0 | 0 | 112.8 | Q1135 G1139 | Q1135-H1137 PolarHBondContact O-N 2.98Å; H1137-G1139 PolarHBondContact O-N 3.06Å |
| 1138 | A | 53.4 | Low | 63.8 | Low | 51 Ų | 51 | 59.2 Ų | 59.2 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -96.1 | 89.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1131 Q1135 | V1131-A1138 VanDerWaalsContact CG1-O 3.28Å; V1131-A1138 WeakPolarHBondContact CG1-O 3.13Å; Q1135-A1138 HydrophobicContact CB-CB 3.65Å; Q1135-A1138 PolarHBondContact O-N 3.18Å |
| 1139 | G | 54.8 | Low | 66 | Low | 48 Ų | 48 | 59.1 Ų | 59.1 | 50% | 0.495 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 117.5 | 4.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | H1137 M1195 | H1137-G1139 PolarHBondContact O-N 3.06Å; G1139-M1195 WeakPolarHBondContact O-CE 3.36Å |
| 1140 | Q | 64.2 | Low | 68 | Low | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -74.9 | 142.2 | 165.5 | -63.2 | 178.9 | -34 | 0 | 0 | 109.8 | V1131 | V1131-Q1140 HydrophobicContact CG1-CG 3.99Å; V1131-Q1140 HydrophobicContact CG2-CG 3.8Å | ||
| 1141 | H | 73.4 | Confident | 70.2 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | trans | -65.8 | 138.6 | 164.6 | -74.5 | -84.8 | 0 | 0 | 0 | 109.9 | E1182 M1195 L1197 | H1141-E1182 HydrophobicContact CB-CG 4.15Å; H1141-E1182 WeakPolarHBondContact CB-OE1 3.47Å; H1141-E1182 IonicContact CD2-OE1 2.89Å; H1141-E1182 IonicContact CG-OE1 3.1Å; H1141-E1182 PolarHBondContact N-OE1 2.79Å; H1141-E1182 VanDerWaalsContact O-CG 3.31Å; H1141-E1182 WeakPolarHBondContact O-CG 3.38Å; H1141-M1195 WeakPolarHBondContact CA-O 3.21Å; H1141-M1195 HydrophobicContact CB-CE 4.44Å; H1141-L1197 HydrophobicContact CB-CD1 3.82Å; H1141-L1197 HydrophobicContact CB-CG 4.09Å | ||
| 1142 | T | 83.4 | Confident | 72.3 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.6 | -177.4 | -48.9 | 0 | 0 | 0 | 0 | 109.3 | E1144 Y1179 I1180 A1187 M1195 L1197 | T1142-E1144 PolarHBondContact O-N 3.4Å; T1142-Y1179 HydrophobicContact CG2-CD1 3.87Å; T1142-Y1179 HydrophobicContact CG2-CG 4.29Å; T1142-I1180 CarbonylContact C-O 3.52Å; T1142-I1180 WeakPolarHBondContact CA-O 3.23Å; T1142-I1180 WeakPolarHBondContact CG2-O 3.13Å; T1142-A1187 HydrophobicContact CG2-CB 3.7Å; T1142-M1195 PolarHBondContact N-O 2.72Å; T1142-L1197 PolarHBondContact O-N 2.79Å |
| 1143 | L | 87.2 | Confident | 74.6 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 121.6 | 171.2 | 178.1 | 72.1 | 0 | 0 | 0 | 108.9 | Y1179 I1180 L1197 L1199 H1232 | L1143-Y1179 WeakPolarHBondContact O-CA 3.41Å; L1143-I1180 HydrophobicContact CB-CB 4.32Å; L1143-I1180 PolarHBondContact N-O 3.04Å; L1143-I1180 PolarHBondContact O-N 3.48Å; L1143-L1197 WeakPolarHBondContact CA-O 3.4Å; L1143-L1199 HydrophobicContact CD1-CD1 4.38Å; L1143-H1232 WeakPolarHBondContact CD2-CE1 3.37Å; L1143-H1232 WeakPolarHBondContact CD2-NE2 3.31Å |
| 1144 | E | 89.9 | Confident | 76.9 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 94.9 | 174.2 | -176.7 | 158.1 | -153.5 | 0 | 0 | 109.1 | T1142 P1146 N1177 Y1179 R1196 L1197 | T1142-E1144 PolarHBondContact O-N 3.4Å; E1144-P1146 WeakPolarHBondContact O-CD 3.25Å; E1144-N1177 HydrophobicContact CG-CB 3.88Å; E1144-N1177 PolarHBondContact OE1-ND2 3.38Å; E1144-Y1179 HydrophobicContact CB-CD1 4.34Å; E1144-Y1179 HydrophobicContact CB-CE1 4.11Å; E1144-Y1179 HydrophobicContact CG-CD1 4.42Å; E1144-Y1179 HydrophobicContact CG-CE1 3.83Å; E1144-Y1179 PolarHBondContact OE1-OH 2.82Å; E1144-R1196 IonicContact OE1-NH1 2.85Å; E1144-R1196 PolarHBondContact OE1-NH1 2.89Å; E1144-R1196 WeakPolarHBondContact OE2-CD 3.49Å; E1144-R1196 IonicContact OE2-CZ 3.69Å; E1144-R1196 IonicContact OE2-NE 3.95Å; E1144-R1196 IonicContact OE2-NH1 2.73Å; E1144-R1196 PolarHBondContact OE2-NH1 3.08Å; E1144-L1197 PolarHBondContact N-O 2.86Å |
| 1145 | F | 91.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117 | -179.8 | -163.7 | -70.2 | 0 | 0 | 0 | 109.7 | M1147 T1149 F1150 L1178 L1199 S1228 A1229 H1232 Q1234 L1247 | F1145-M1147 PolarHBondContact O-N 2.65Å; F1145-T1149 HydrophobicContact CE1-CG2 4.04Å; F1145-T1149 HydrophobicContact CZ-CG2 4.04Å; F1145-F1150 HydrophobicContact CD1-CB 4.46Å; F1145-F1150 HydrophobicContact CE1-CB 4.19Å; F1145-L1178 HydrophobicContact CB-CB 4.25Å; F1145-L1178 PolarHBondContact N-O 3.49Å; F1145-L1178 PolarHBondContact O-N 3.48Å; F1145-L1199 HydrophobicContact CD1-CD2 4.32Å; F1145-L1199 HydrophobicContact CD2-CD1 3.8Å; F1145-L1199 HydrophobicContact CD2-CD2 3.66Å; F1145-L1199 HydrophobicContact CD2-CG 4.33Å; F1145-L1199 HydrophobicContact CE1-CD2 4.07Å; F1145-L1199 HydrophobicContact CE2-CD1 3.75Å; F1145-L1199 HydrophobicContact CE2-CD2 3.37Å; F1145-L1199 HydrophobicContact CE2-CG 4.23Å; F1145-L1199 HydrophobicContact CG-CD2 4.1Å; F1145-L1199 HydrophobicContact CZ-CD2 3.56Å; F1145-S1228 WeakPolarHBondContact CZ-OG 3.49Å; F1145-A1229 HydrophobicContact CZ-CB 4.5Å; F1145-H1232 HydrophobicContact CE2-CB 4.1Å; F1145-H1232 AromaticContact CE2-CD2 3.94Å; F1145-H1232 AromaticContact CE2-CG 3.95Å; F1145-Q1234 VanDerWaalsContact CE1-NE2 3.33Å; F1145-L1247 HydrophobicContact CB-CD2 4.14Å; F1145-L1247 HydrophobicContact CD1-CD2 4.05Å; F1145-L1247 HydrophobicContact CD2-CD1 4.25Å; F1145-L1247 HydrophobicContact CD2-CD2 4.03Å; F1145-L1247 HydrophobicContact CE2-CD1 4.06Å; F1145-L1247 HydrophobicContact CG-CD2 3.78Å; F1145-L1247 HydrophobicContact CZ-CD1 4.32Å |
| 1146 | P | 90.5 | Very high | 80.7 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 134.7 | -172.4 | -21 | 33.5 | 0 | 0 | 0 | 113.4 | E1144 A1148 T1149 F1150 N1177 | E1144-P1146 WeakPolarHBondContact O-CD 3.25Å; P1146-A1148 PolarHBondContact O-N 3.36Å; P1146-T1149 PolarHBondContact O-N 2.86Å; P1146-F1150 PolarHBondContact O-N 2.94Å; P1146-F1150 VanDerWaalsContact O-N 3.11Å; P1146-N1177 WeakPolarHBondContact CA-OD1 3.41Å |
| 1147 | M | 90.4 | Very high | 82.8 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -24.6 | 175.2 | -174 | 56.2 | 70.4 | 0 | 0 | 111.9 | F1145 F1150 S1151 P1174 P1175 N1176 L1178 L1262 | F1145-M1147 PolarHBondContact O-N 2.65Å; M1147-F1150 PolarHBondContact O-N 3.18Å; M1147-F1150 HydrophobicContact SD-CB 4.14Å; M1147-F1150 HydrophobicContact SD-CD1 3.82Å; M1147-F1150 HydrophobicContact SD-CG 4.32Å; M1147-S1151 VanDerWaalsContact O-CB 3.24Å; M1147-S1151 WeakPolarHBondContact O-CB 3.29Å; M1147-S1151 PolarHBondContact O-N 2.84Å; M1147-S1151 PolarHBondContact O-OG 2.74Å; M1147-P1174 HydrophobicContact CE-CB 4.18Å; M1147-P1174 HydrophobicContact CG-CB 4.46Å; M1147-P1174 HydrophobicContact SD-CB 4.35Å; M1147-P1175 WeakPolarHBondContact CB-O 3.19Å; M1147-P1175 HydrophobicContact CE-CG 3.81Å; M1147-P1175 VanDerWaalsContact CE-O 3.24Å; M1147-P1175 WeakPolarHBondContact CE-O 3.3Å; M1147-P1175 WeakPolarHBondContact CG-O 3.29Å; M1147-N1176 WeakPolarHBondContact CB-O 3.2Å; M1147-N1176 PolarHBondContact N-O 3.31Å; M1147-L1178 HydrophobicContact CE-CD1 4.15Å; M1147-L1178 HydrophobicContact CE-CD2 3.7Å; M1147-L1178 HydrophobicContact CE-CG 3.75Å; M1147-L1262 HydrophobicContact CE-CD2 3.88Å; M1147-L1262 HydrophobicContact SD-CD2 4.44Å |
| 1148 | A | 88.9 | Confident | 84.6 | Confident | 74 Ų | 74 | 37.8 Ų | 37.8 | 61% | 0.612 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.5 | -50.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1146 F1150 S1151 Q1152 | P1146-A1148 PolarHBondContact O-N 3.36Å; A1148-F1150 VanDerWaalsContact C-N 3.34Å; A1148-F1150 PolarHBondContact O-N 3.21Å; A1148-S1151 PolarHBondContact O-N 3.24Å; A1148-Q1152 WeakPolarHBondContact O-CB 3.2Å; A1148-Q1152 PolarHBondContact O-N 3.1Å |
| 1149 | T | 89.8 | Confident | 86.2 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.5 | -47.5 | 0 | 0 | 0 | 0 | 111.3 | F1145 P1146 Q1152 V1153 L1199 A1203 A1229 | F1145-T1149 HydrophobicContact CE1-CG2 4.04Å; F1145-T1149 HydrophobicContact CZ-CG2 4.04Å; P1146-T1149 PolarHBondContact O-N 2.86Å; T1149-Q1152 PolarHBondContact O-N 2.89Å; T1149-V1153 PolarHBondContact O-N 3.17Å; T1149-L1199 HydrophobicContact CG2-CD2 4.19Å; T1149-A1203 HydrophobicContact CG2-CB 3.88Å; T1149-A1229 HydrophobicContact CG2-CB 3.79Å |
| 1150 | F | 91.9 | Very high | 87.6 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 175.1 | -170.2 | -93.2 | 0 | 0 | 0 | 112.2 | F1145 P1146 M1147 A1148 Q1152 V1153 M1154 L1178 Q1234 P1245 A1246 L1247 L1262 | F1145-F1150 HydrophobicContact CD1-CB 4.46Å; F1145-F1150 HydrophobicContact CE1-CB 4.19Å; P1146-F1150 PolarHBondContact O-N 2.94Å; P1146-F1150 VanDerWaalsContact O-N 3.11Å; M1147-F1150 PolarHBondContact O-N 3.18Å; M1147-F1150 HydrophobicContact SD-CB 4.14Å; M1147-F1150 HydrophobicContact SD-CD1 3.82Å; M1147-F1150 HydrophobicContact SD-CG 4.32Å; A1148-F1150 VanDerWaalsContact C-N 3.34Å; A1148-F1150 PolarHBondContact O-N 3.21Å; F1150-Q1152 VanDerWaalsContact C-N 3.3Å; F1150-Q1152 PolarHBondContact O-N 3.27Å; F1150-V1153 PolarHBondContact O-N 3.42Å; F1150-M1154 HydrophobicContact CD1-CG 3.93Å; F1150-M1154 HydrophobicContact CE1-CG 3.6Å; F1150-M1154 HydrophobicContact CE1-SD 4.29Å; F1150-M1154 HydrophobicContact CZ-CG 4Å; F1150-M1154 HydrophobicContact CZ-SD 4.13Å; F1150-M1154 VanDerWaalsContact O-CG 3.28Å; F1150-M1154 WeakPolarHBondContact O-CG 3.36Å; F1150-M1154 PolarHBondContact O-N 3.4Å; F1150-L1178 HydrophobicContact CB-CD1 4.43Å; F1150-L1178 HydrophobicContact CD2-CD1 3.92Å; F1150-L1178 HydrophobicContact CE2-CD1 4.37Å; F1150-L1178 HydrophobicContact CG-CD1 4.05Å; F1150-Q1234 VanDerWaalsContact CD2-CD 3.46Å; F1150-Q1234 HydrophobicContact CD2-CG 4Å; F1150-Q1234 HydrophobicContact CE2-CG 4.06Å; F1150-Q1234 PolarHBondContact O-OE1 2.86Å; F1150-P1245 HydrophobicContact CE1-CB 3.82Å; F1150-P1245 HydrophobicContact CZ-CB 3.67Å; F1150-A1246 WeakPolarHBondContact CE2-O 3.32Å; F1150-L1247 HydrophobicContact CD2-CB 4.4Å; F1150-L1247 HydrophobicContact CE2-CB 3.94Å; F1150-L1262 HydrophobicContact CD1-CD2 4.18Å; F1150-L1262 HydrophobicContact CE1-CD2 3.64Å; F1150-L1262 HydrophobicContact CZ-CD2 4.2Å |
| 1151 | S | 90.7 | Very high | 88.6 | Confident | 59 Ų | 59 | 45 Ų | 45 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -32.3 | 179.6 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | M1147 A1148 L1155 | M1147-S1151 VanDerWaalsContact O-CB 3.24Å; M1147-S1151 WeakPolarHBondContact O-CB 3.29Å; M1147-S1151 PolarHBondContact O-N 2.84Å; M1147-S1151 PolarHBondContact O-OG 2.74Å; A1148-S1151 PolarHBondContact O-N 3.24Å; S1151-L1155 WeakPolarHBondContact O-CB 3.48Å; S1151-L1155 PolarHBondContact O-N 2.82Å |
| 1152 | Q | 91.1 | Very high | 89.1 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -50.2 | 177.2 | 179.3 | 177.1 | -18.2 | 0 | 0 | 111.6 | A1148 T1149 F1150 L1155 Q1156 A1203 | A1148-Q1152 WeakPolarHBondContact O-CB 3.2Å; A1148-Q1152 PolarHBondContact O-N 3.1Å; T1149-Q1152 PolarHBondContact O-N 2.89Å; F1150-Q1152 VanDerWaalsContact C-N 3.3Å; F1150-Q1152 PolarHBondContact O-N 3.27Å; Q1152-L1155 PolarHBondContact O-N 2.92Å; Q1152-Q1156 WeakPolarHBondContact O-CG 3.28Å; Q1152-Q1156 PolarHBondContact O-N 3.46Å; Q1152-A1203 HydrophobicContact CG-CB 4.32Å |
| 1153 | V | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | T1149 F1150 L1155 Q1156 M1157 A1203 L1207 V1226 Q1234 | T1149-V1153 PolarHBondContact O-N 3.17Å; F1150-V1153 PolarHBondContact O-N 3.42Å; V1153-L1155 VanDerWaalsContact C-N 3.27Å; V1153-L1155 PolarHBondContact O-N 2.97Å; V1153-Q1156 PolarHBondContact O-N 3.41Å; V1153-M1157 WeakPolarHBondContact O-CG 3.18Å; V1153-M1157 PolarHBondContact O-N 3.48Å; V1153-A1203 HydrophobicContact CG2-CB 3.73Å; V1153-L1207 HydrophobicContact CG1-CD2 4.02Å; V1153-V1226 HydrophobicContact CG1-CG2 3.55Å; V1153-Q1234 HydrophobicContact CG1-CB 4.14Å |
| 1154 | M | 92.4 | Very high | 88.6 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -33.1 | 175.8 | -66 | -57 | -53 | 0 | 0 | 112.9 | F1150 M1157 Q1158 M1165 V1236 P1245 | F1150-M1154 HydrophobicContact CD1-CG 3.93Å; F1150-M1154 HydrophobicContact CE1-CG 3.6Å; F1150-M1154 HydrophobicContact CE1-SD 4.29Å; F1150-M1154 HydrophobicContact CZ-CG 4Å; F1150-M1154 HydrophobicContact CZ-SD 4.13Å; F1150-M1154 VanDerWaalsContact O-CG 3.28Å; F1150-M1154 WeakPolarHBondContact O-CG 3.36Å; F1150-M1154 PolarHBondContact O-N 3.4Å; M1154-M1157 PolarHBondContact O-N 3.31Å; M1154-M1157 HydrophobicContact SD-SD 4.39Å; M1154-Q1158 PolarHBondContact O-N 3.35Å; M1154-M1165 HydrophobicContact CE-CE 3.43Å; M1154-M1165 VanDerWaalsContact CE-CE 3.43Å; M1154-M1165 HydrophobicContact CE-SD 4Å; M1154-V1236 HydrophobicContact CE-CG1 4.16Å; M1154-P1245 HydrophobicContact CE-CB 3.86Å; M1154-P1245 HydrophobicContact CE-CG 4.25Å; M1154-P1245 HydrophobicContact SD-CB 4.18Å |
| 1155 | L | 91.3 | Very high | 88.5 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 48% | 0.482 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.8 | -42.8 | 174.5 | -176.2 | 69.5 | 0 | 0 | 0 | 111.8 | S1151 Q1152 V1153 M1157 Q1158 Q1159 | S1151-L1155 WeakPolarHBondContact O-CB 3.48Å; S1151-L1155 PolarHBondContact O-N 2.82Å; Q1152-L1155 PolarHBondContact O-N 2.92Å; V1153-L1155 VanDerWaalsContact C-N 3.27Å; V1153-L1155 PolarHBondContact O-N 2.97Å; L1155-M1157 VanDerWaalsContact C-N 3.25Å; L1155-M1157 PolarHBondContact O-N 2.79Å; L1155-Q1158 PolarHBondContact O-N 3.04Å; L1155-Q1159 WeakPolarHBondContact O-CG 3.36Å; L1155-Q1159 PolarHBondContact O-N 3.09Å; L1155-Q1159 VanDerWaalsContact O-N 3.09Å |
| 1156 | Q | 89.8 | Confident | 88.1 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58 | -41.4 | 170.7 | -67.8 | 163.1 | -45.7 | 0 | 0 | 110.1 | Q1152 V1153 Q1158 Q1159 H1160 P1204 N1205 L1207 | Q1152-Q1156 WeakPolarHBondContact O-CG 3.28Å; Q1152-Q1156 PolarHBondContact O-N 3.46Å; V1153-Q1156 PolarHBondContact O-N 3.41Å; Q1156-Q1158 VanDerWaalsContact C-N 3.31Å; Q1156-Q1158 PolarHBondContact O-N 2.73Å; Q1156-Q1159 WeakPolarHBondContact O-CB 3.35Å; Q1156-Q1159 PolarHBondContact O-N 3.25Å; Q1156-H1160 PolarHBondContact O-CD2 2.95Å; Q1156-H1160 PolarHBondContact O-N 3.34Å; Q1156-P1204 PolarHBondContact NE2-O 3.12Å; Q1156-N1205 PolarHBondContact NE2-O 3.43Å; Q1156-L1207 HydrophobicContact CB-CD1 3.67Å; Q1156-L1207 HydrophobicContact CB-CD2 4.22Å; Q1156-L1207 HydrophobicContact CB-CG 3.7Å; Q1156-L1207 WeakPolarHBondContact O-CD1 3.15Å |
| 1157 | M | 90.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -33.1 | 178.8 | -70.4 | -172.5 | 71.1 | 0 | 0 | 112.5 | V1153 M1154 L1155 Q1159 W1161 M1165 L1207 L1224 V1226 G1235 | V1153-M1157 WeakPolarHBondContact O-CG 3.18Å; V1153-M1157 PolarHBondContact O-N 3.48Å; M1154-M1157 PolarHBondContact O-N 3.31Å; M1154-M1157 HydrophobicContact SD-SD 4.39Å; L1155-M1157 VanDerWaalsContact C-N 3.25Å; L1155-M1157 PolarHBondContact O-N 2.79Å; M1157-Q1159 VanDerWaalsContact C-N 3.31Å; M1157-W1161 HydrophobicContact CB-CE3 4.31Å; M1157-W1161 HydrophobicContact CE-CE3 4.01Å; M1157-W1161 HydrophobicContact CE-CZ3 3.96Å; M1157-W1161 HydrophobicContact CG-CE3 4.23Å; M1157-W1161 HydrophobicContact CG-CZ3 4.01Å; M1157-W1161 PolarHBondContact O-N 2.62Å; M1157-M1165 HydrophobicContact CB-CG 4.5Å; M1157-M1165 HydrophobicContact CB-SD 4.31Å; M1157-L1207 HydrophobicContact CB-CD1 4.42Å; M1157-L1207 HydrophobicContact CG-CD1 3.87Å; M1157-L1207 HydrophobicContact CG-CD2 3.85Å; M1157-L1224 HydrophobicContact CE-CD2 3.96Å; M1157-L1224 HydrophobicContact CE-CG 4.09Å; M1157-V1226 HydrophobicContact CE-CG1 4.04Å; M1157-V1226 HydrophobicContact CG-CG2 4.35Å; M1157-V1226 HydrophobicContact SD-CG1 4.08Å; M1157-V1226 HydrophobicContact SD-CG2 3.75Å; M1157-G1235 VanDerWaalsContact SD-CA 3.55Å |
| 1158 | Q | 89.5 | Confident | 87.7 | Confident | 112 Ų | 112 | 58.8 Ų | 58.8 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.9 | -28.3 | 172.2 | -168.3 | 176.5 | 5.6 | 0 | 0 | 112.9 | M1154 L1155 Q1156 M1165 | M1154-Q1158 PolarHBondContact O-N 3.35Å; L1155-Q1158 PolarHBondContact O-N 3.04Å; Q1156-Q1158 VanDerWaalsContact C-N 3.31Å; Q1156-Q1158 PolarHBondContact O-N 2.73Å; Q1158-M1165 HydrophobicContact CB-CB 4.32Å; Q1158-M1165 HydrophobicContact CB-CG 4.26Å; Q1158-M1165 HydrophobicContact CG-CB 4.21Å |
| 1159 | Q | 87.5 | Confident | 87.9 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -77 | -40 | 173.9 | -66.5 | 168.8 | 5.6 | 0 | 0 | 112.3 | L1155 Q1156 M1157 | L1155-Q1159 WeakPolarHBondContact O-CG 3.36Å; L1155-Q1159 PolarHBondContact O-N 3.09Å; L1155-Q1159 VanDerWaalsContact O-N 3.09Å; Q1156-Q1159 WeakPolarHBondContact O-CB 3.35Å; Q1156-Q1159 PolarHBondContact O-N 3.25Å; M1157-Q1159 VanDerWaalsContact C-N 3.31Å |
| 1160 | H | 84.5 | Confident | 87.7 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 51% | 0.514 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -86.1 | -30.6 | -176.6 | -76.9 | -114.7 | 0 | 0 | 0 | 114.3 | Q1156 L1207 | Q1156-H1160 PolarHBondContact O-CD2 2.95Å; Q1156-H1160 PolarHBondContact O-N 3.34Å; H1160-L1207 HydrophobicContact CB-CD1 3.87Å |
| 1161 | W | 84.9 | Confident | 87.5 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | trans | -135.7 | 62.8 | -180 | -56 | -61.4 | 0 | 0 | 0 | 113 | L763 M1157 Q1163 I1164 M1165 L1207 P1209 L1224 V1226 | L763-W1161 HydrophobicContact CB-CZ2 4.25Å; L763-W1161 HydrophobicContact CD1-CH2 4.28Å; L763-W1161 HydrophobicContact CD1-CZ2 3.65Å; M1157-W1161 HydrophobicContact CB-CE3 4.31Å; M1157-W1161 HydrophobicContact CE-CE3 4.01Å; M1157-W1161 HydrophobicContact CE-CZ3 3.96Å; M1157-W1161 HydrophobicContact CG-CE3 4.23Å; M1157-W1161 HydrophobicContact CG-CZ3 4.01Å; M1157-W1161 PolarHBondContact O-N 2.62Å; W1161-Q1163 PolarHBondContact O-N 2.67Å; W1161-Q1163 VanDerWaalsContact O-N 3.13Å; W1161-I1164 HydrophobicContact CB-CB 4.3Å; W1161-I1164 HydrophobicContact CB-CD1 3.52Å; W1161-I1164 HydrophobicContact CB-CG1 3.89Å; W1161-I1164 HydrophobicContact CD2-CD1 4.41Å; W1161-I1164 HydrophobicContact CG-CD1 3.8Å; W1161-I1164 PolarHBondContact O-N 2.94Å; W1161-M1165 PolarHBondContact O-N 2.77Å; W1161-L1207 HydrophobicContact CH2-CD1 4.3Å; W1161-L1207 HydrophobicContact CZ3-CD1 3.88Å; W1161-P1209 HydrophobicContact CH2-CB 4.38Å; W1161-P1209 HydrophobicContact CH2-CG 4.05Å; W1161-P1209 HydrophobicContact CZ2-CG 4.15Å; W1161-L1224 HydrophobicContact CD2-CD2 4.26Å; W1161-L1224 HydrophobicContact CE3-CD2 3.98Å; W1161-L1224 HydrophobicContact CZ3-CD2 4.25Å; W1161-V1226 HydrophobicContact CH2-CG1 4.03Å; W1161-V1226 HydrophobicContact CZ3-CG1 3.83Å | ||
| 1162 | P | 84.7 | Confident | 87 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25 | -176.2 | 25 | -35 | 0 | 0 | 0 | 113.8 | Q1166 | P1162-Q1166 WeakPolarHBondContact O-CG 3.35Å; P1162-Q1166 PolarHBondContact O-N 2.89Å; P1162-Q1166 PolarHBondContact O-NE2 3Å |
| 1163 | Q | 79.7 | Confident | 86.6 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -45.9 | 176.5 | -54.6 | 84.9 | -7.9 | 0 | 0 | 111.6 | W1161 M1165 Q1166 | W1161-Q1163 PolarHBondContact O-N 2.67Å; W1161-Q1163 VanDerWaalsContact O-N 3.13Å; Q1163-M1165 VanDerWaalsContact C-N 3.34Å; Q1163-M1165 PolarHBondContact O-N 3.2Å; Q1163-Q1166 PolarHBondContact O-N 3.14Å |
| 1164 | I | 79.9 | Confident | 86.1 | Confident | 10 Ų | 10 | 74.7 Ų | 74.7 | 5% | 0.051 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 177 | -50 | 174.1 | 0 | 0 | 0 | 109.5 | F764 W1161 Q1166 E1167 L1221 L1224 V1236 L1243 | F764-I1164 HydrophobicContact CD2-CD1 3.96Å; F764-I1164 HydrophobicContact CD2-CG1 4.33Å; F764-I1164 HydrophobicContact CE2-CD1 3.29Å; F764-I1164 HydrophobicContact CE2-CG1 3.57Å; F764-I1164 HydrophobicContact CZ-CD1 3.97Å; F764-I1164 HydrophobicContact CZ-CG1 3.73Å; W1161-I1164 HydrophobicContact CB-CB 4.3Å; W1161-I1164 HydrophobicContact CB-CD1 3.52Å; W1161-I1164 HydrophobicContact CB-CG1 3.89Å; W1161-I1164 HydrophobicContact CD2-CD1 4.41Å; W1161-I1164 HydrophobicContact CG-CD1 3.8Å; W1161-I1164 PolarHBondContact O-N 2.94Å; I1164-Q1166 PolarHBondContact O-N 2.93Å; I1164-E1167 PolarHBondContact O-N 2.91Å; I1164-L1221 HydrophobicContact CD1-CD2 4.43Å; I1164-L1221 HydrophobicContact CG2-CD2 3.62Å; I1164-L1224 HydrophobicContact CD1-CD2 3.56Å; I1164-V1236 HydrophobicContact CG2-CG2 4.21Å; I1164-L1243 HydrophobicContact CG2-CD1 4.43Å |
| 1165 | M | 86.5 | Confident | 85.6 | Confident | 24 Ų | 24 | 76.1 Ų | 76.1 | 12% | 0.118 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68 | -7.6 | -172.6 | -69 | -55.4 | -51.9 | 0 | 0 | 114.2 | M1154 M1157 Q1158 W1161 Q1163 V1168 V1236 | M1154-M1165 HydrophobicContact CE-CE 3.43Å; M1154-M1165 VanDerWaalsContact CE-CE 3.43Å; M1154-M1165 HydrophobicContact CE-SD 4Å; M1157-M1165 HydrophobicContact CB-CG 4.5Å; M1157-M1165 HydrophobicContact CB-SD 4.31Å; Q1158-M1165 HydrophobicContact CB-CB 4.32Å; Q1158-M1165 HydrophobicContact CB-CG 4.26Å; Q1158-M1165 HydrophobicContact CG-CB 4.21Å; W1161-M1165 PolarHBondContact O-N 2.77Å; Q1163-M1165 VanDerWaalsContact C-N 3.34Å; Q1163-M1165 PolarHBondContact O-N 3.2Å; M1165-V1168 HydrophobicContact CE-CB 3.95Å; M1165-V1168 HydrophobicContact CE-CG1 3.96Å; M1165-V1168 HydrophobicContact CE-CG2 4.03Å; M1165-V1168 HydrophobicContact SD-CB 4.42Å; M1165-V1168 HydrophobicContact SD-CG2 3.83Å; M1165-V1236 HydrophobicContact SD-CG1 3.93Å |
| 1166 | Q | 84.2 | Confident | 85.3 | Confident | 159 Ų | 159 | 78.9 Ų | 78.9 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -81.2 | -25.7 | 168.8 | -76.9 | 167.4 | 84.6 | 0 | 0 | 113.6 | P1162 Q1163 I1164 V1168 | P1162-Q1166 WeakPolarHBondContact O-CG 3.35Å; P1162-Q1166 PolarHBondContact O-N 2.89Å; P1162-Q1166 PolarHBondContact O-NE2 3Å; Q1163-Q1166 PolarHBondContact O-N 3.14Å; I1164-Q1166 PolarHBondContact O-N 2.93Å; Q1166-V1168 VanDerWaalsContact C-N 3.29Å |
| 1167 | E | 84 | Confident | 85.3 | Confident | 103 Ų | 103 | 80 Ų | 80 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -78.3 | -14.7 | 171.5 | -74 | -174.1 | -140.2 | 0 | 0 | 112.7 | I1164 R1169 R1238 L1243 | I1164-E1167 PolarHBondContact O-N 2.91Å; E1167-R1169 PolarHBondContact O-N 3.47Å; E1167-R1238 IonicContact OE2-CZ 2.73Å; E1167-R1238 IonicContact OE2-NH1 3.55Å; E1167-R1238 IonicContact OE2-NH2 3.89Å; E1167-R1238 PolarHBondContact OE2-NH2 3.45Å; E1167-L1243 HydrophobicContact CB-CD1 3.77Å |
| 1168 | V | 89 | Confident | 85.3 | Confident | 14 Ų | 14 | 80.1 Ų | 80.1 | 9% | 0.085 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -82.6 | 118 | -169.5 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | M1165 Q1166 S1170 V1236 L1243 P1245 | M1165-V1168 HydrophobicContact CE-CB 3.95Å; M1165-V1168 HydrophobicContact CE-CG1 3.96Å; M1165-V1168 HydrophobicContact CE-CG2 4.03Å; M1165-V1168 HydrophobicContact SD-CB 4.42Å; M1165-V1168 HydrophobicContact SD-CG2 3.83Å; Q1166-V1168 VanDerWaalsContact C-N 3.29Å; V1168-S1170 PolarHBondContact O-N 2.99Å; V1168-S1170 VanDerWaalsContact O-N 3.13Å; V1168-V1236 HydrophobicContact CG1-CG1 4.13Å; V1168-V1236 HydrophobicContact CG2-CB 4.27Å; V1168-V1236 HydrophobicContact CG2-CG1 3.52Å; V1168-L1243 WeakPolarHBondContact CA-O 3.43Å; V1168-L1243 HydrophobicContact CG2-CB 4.12Å; V1168-P1245 HydrophobicContact CG1-CG 3.78Å |
| 1169 | R | 91.7 | Very high | 85.3 | Confident | 108 Ų | 108 | 76.8 Ų | 76.8 | 41% | 0.408 | 39% | 0.387 | S | S | . | . | trans | -82.4 | 89.6 | 175.8 | -176.8 | 174.8 | 166.9 | -174.4 | -2.6 | 111.1 | E1167 T1242 L1243 Y1244 P1245 D1264 | E1167-R1169 PolarHBondContact O-N 3.47Å; R1169-T1242 HydrophobicContact CB-CG2 3.84Å; R1169-L1243 PolarHBondContact N-O 3.09Å; R1169-Y1244 HydrophobicContact CB-CD1 4.13Å; R1169-Y1244 HydrophobicContact CB-CE1 3.92Å; R1169-Y1244 HydrophobicContact CG-CD1 4.44Å; R1169-Y1244 HydrophobicContact CG-CE1 3.9Å; R1169-Y1244 PolarHBondContact NH1-OH 3.37Å; R1169-Y1244 WeakPolarHBondContact O-CD1 3.34Å; R1169-P1245 WeakPolarHBondContact O-CD 3.39Å; R1169-D1264 IonicContact CZ-OD2 2.7Å; R1169-D1264 IonicContact NE-OD2 3.97Å; R1169-D1264 IonicContact NH2-OD2 3.71Å; R1169-D1264 PolarHBondContact NH2-OD2 3.09Å | ||
| 1170 | S | 85.9 | Confident | 85.3 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | trans | -58.4 | 147.4 | 167.2 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | V1168 | V1168-S1170 PolarHBondContact O-N 2.99Å; V1168-S1170 VanDerWaalsContact O-N 3.13Å | ||
| 1171 | P | 87 | Confident | 85.3 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | trans | -67.7 | 141.5 | 174.7 | 31.3 | -38.5 | 0 | 0 | 0 | 111.3 | N1173 P1174 L1262 | P1171-N1173 VanDerWaalsContact C-N 3.33Å; P1171-N1173 PolarHBondContact O-N 2.68Å; P1171-P1174 HydrophobicContact CG-CB 4.13Å; P1171-L1262 HydrophobicContact CG-CD2 3.97Å; P1171-L1262 HydrophobicContact CG-CG 3.92Å | ||
| 1172 | K | 82.1 | Confident | 85 | Confident | 159 Ų | 159 | 65.8 Ų | 65.8 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -66.6 | -33.8 | 177.1 | -69.8 | 164.4 | -174.1 | 162 | 0 | 113.4 | D1264 | K1172-D1264 WeakPolarHBondContact CB-OD1 3.26Å; K1172-D1264 WeakPolarHBondContact CG-OD1 3.49Å; K1172-D1264 PolarHBondContact N-OD1 3.03Å; K1172-D1264 IonicContact NZ-OD2 3.59Å |
| 1173 | N | 82.7 | Confident | 84.6 | Confident | 143 Ų | 143 | 66.1 Ų | 66.1 | 77% | 0.765 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -128.4 | 84.3 | 179.1 | -67.5 | -31.8 | 0 | 0 | 0 | 108.4 | P1171 | P1171-N1173 VanDerWaalsContact C-N 3.33Å; P1171-N1173 PolarHBondContact O-N 2.68Å |
| 1174 | P | 80.4 | Confident | 84.9 | Confident | 73 Ų | 73 | 64 Ų | 64 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | trans | -63.4 | 136.1 | 175.4 | 25.9 | -33.3 | 0 | 0 | 0 | 110.6 | M1147 P1171 | M1147-P1174 HydrophobicContact CE-CB 4.18Å; M1147-P1174 HydrophobicContact CG-CB 4.46Å; M1147-P1174 HydrophobicContact SD-CB 4.35Å; P1171-P1174 HydrophobicContact CG-CB 4.13Å | ||
| 1175 | P | 82.9 | Confident | 85.2 | Confident | 48 Ų | 48 | 67.3 Ų | 67.3 | 31% | 0.312 | 34% | 0.339 | S | S | . | . | trans | -70 | 152.5 | 173.4 | 30.3 | -36.5 | 0 | 0 | 0 | 111.3 | M1147 N1177 L1178 | M1147-P1175 WeakPolarHBondContact CB-O 3.19Å; M1147-P1175 HydrophobicContact CE-CG 3.81Å; M1147-P1175 VanDerWaalsContact CE-O 3.24Å; M1147-P1175 WeakPolarHBondContact CE-O 3.3Å; M1147-P1175 WeakPolarHBondContact CG-O 3.29Å; P1175-N1177 VanDerWaalsContact C-N 3.29Å; P1175-N1177 PolarHBondContact O-N 3.07Å; P1175-L1178 HydrophobicContact CG-CD2 3.76Å | ||
| 1176 | N | 84.2 | Confident | 85.2 | Confident | 150 Ų | 150 | 68 Ų | 68 | 80% | 0.802 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -59.2 | -37.8 | -178.6 | -71.4 | 7 | 0 | 0 | 0 | 113.5 | M1147 | M1147-N1176 WeakPolarHBondContact CB-O 3.2Å; M1147-N1176 PolarHBondContact N-O 3.31Å |
| 1177 | N | 89 | Confident | 85.2 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.4 | 174 | -69.1 | -32.5 | 0 | 0 | 0 | 108.5 | E1144 P1146 P1175 Y1179 | E1144-N1177 HydrophobicContact CG-CB 3.88Å; E1144-N1177 PolarHBondContact OE1-ND2 3.38Å; P1146-N1177 WeakPolarHBondContact CA-OD1 3.41Å; P1175-N1177 VanDerWaalsContact C-N 3.29Å; P1175-N1177 PolarHBondContact O-N 3.07Å; N1177-Y1179 HydrophobicContact CB-CE2 4.17Å |
| 1178 | L | 90.6 | Very high | 85.2 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 145.6 | 171 | -62.8 | 173.1 | 0 | 0 | 0 | 109.2 | F1145 M1147 F1150 P1175 L1247 L1262 L1267 | F1145-L1178 HydrophobicContact CB-CB 4.25Å; F1145-L1178 PolarHBondContact N-O 3.49Å; F1145-L1178 PolarHBondContact O-N 3.48Å; M1147-L1178 HydrophobicContact CE-CD1 4.15Å; M1147-L1178 HydrophobicContact CE-CD2 3.7Å; M1147-L1178 HydrophobicContact CE-CG 3.75Å; F1150-L1178 HydrophobicContact CB-CD1 4.43Å; F1150-L1178 HydrophobicContact CD2-CD1 3.92Å; F1150-L1178 HydrophobicContact CE2-CD1 4.37Å; F1150-L1178 HydrophobicContact CG-CD1 4.05Å; P1175-L1178 HydrophobicContact CG-CD2 3.76Å; L1178-L1247 HydrophobicContact CD1-CD2 3.85Å; L1178-L1262 HydrophobicContact CD2-CD1 3.8Å; L1178-L1262 HydrophobicContact CD2-CD2 4.48Å; L1178-L1267 HydrophobicContact CD2-CB 4.27Å |
| 1179 | Y | 90 | Very high | 84.9 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 16% | 0.161 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.1 | -176.5 | -67.3 | -83.3 | 0 | 0 | 0 | 109.6 | T1142 L1143 E1144 N1177 A1187 A1189 R1196 | T1142-Y1179 HydrophobicContact CG2-CD1 3.87Å; T1142-Y1179 HydrophobicContact CG2-CG 4.29Å; L1143-Y1179 WeakPolarHBondContact O-CA 3.41Å; E1144-Y1179 HydrophobicContact CB-CD1 4.34Å; E1144-Y1179 HydrophobicContact CB-CE1 4.11Å; E1144-Y1179 HydrophobicContact CG-CD1 4.42Å; E1144-Y1179 HydrophobicContact CG-CE1 3.83Å; E1144-Y1179 PolarHBondContact OE1-OH 2.82Å; N1177-Y1179 HydrophobicContact CB-CE2 4.17Å; Y1179-A1187 PolarHBondContact O-N 3.35Å; Y1179-A1189 HydrophobicContact CD1-CB 4.29Å; Y1179-A1189 HydrophobicContact CD2-CB 3.96Å; Y1179-A1189 HydrophobicContact CE1-CB 3.87Å; Y1179-A1189 HydrophobicContact CE2-CB 3.52Å; Y1179-A1189 HydrophobicContact CG-CB 4.31Å; Y1179-A1189 VanDerWaalsContact CZ-CB 3.43Å; Y1179-R1196 PolarHBondContact OH-NH1 3.32Å; Y1179-R1196 PolarHBondContact OH-NH2 3.43Å |
| 1180 | I | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.9 | -176.4 | -68.2 | 175.3 | 0 | 0 | 0 | 108.7 | T1142 L1143 R1184 Q1185 L1247 L1267 | T1142-I1180 CarbonylContact C-O 3.52Å; T1142-I1180 WeakPolarHBondContact CA-O 3.23Å; T1142-I1180 WeakPolarHBondContact CG2-O 3.13Å; L1143-I1180 HydrophobicContact CB-CB 4.32Å; L1143-I1180 PolarHBondContact N-O 3.04Å; L1143-I1180 PolarHBondContact O-N 3.48Å; I1180-R1184 HydrophobicContact CG2-CB 4.39Å; I1180-Q1185 WeakPolarHBondContact CA-O 3.47Å; I1180-L1247 HydrophobicContact CD1-CD2 3.57Å; I1180-L1247 HydrophobicContact CD1-CG 3.92Å; I1180-L1267 HydrophobicContact CD1-CD2 4.41Å; I1180-L1267 HydrophobicContact CG1-CD2 3.91Å |
| 1181 | G | 83.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | trans | -75.1 | 173.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1183 R1184 Q1185 | G1181-D1183 PolarHBondContact O-N 3.21Å; G1181-R1184 WeakPolarHBondContact O-CA 3.39Å; G1181-R1184 PolarHBondContact O-N 3.47Å; G1181-Q1185 PolarHBondContact N-O 3.33Å | ||
| 1182 | E | 78.9 | Confident | 83 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 16% | 0.164 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -28.9 | 175.9 | -62.6 | -166.2 | -139.9 | 0 | 0 | 112.9 | G1128 I1129 H1141 R1184 | G1128-E1182 VanDerWaalsContact C-CD 3.45Å; G1128-E1182 VanDerWaalsContact CA-CD 3.45Å; G1128-E1182 VanDerWaalsContact CA-OE1 3.28Å; G1128-E1182 WeakPolarHBondContact CA-OE1 3.41Å; G1128-E1182 WeakPolarHBondContact CA-OE2 3.32Å; G1128-E1182 PolarHBondContact N-OE2 2.8Å; I1129-E1182 HydrophobicContact CG1-CB 3.76Å; H1141-E1182 HydrophobicContact CB-CG 4.15Å; H1141-E1182 WeakPolarHBondContact CB-OE1 3.47Å; H1141-E1182 IonicContact CD2-OE1 2.89Å; H1141-E1182 IonicContact CG-OE1 3.1Å; H1141-E1182 PolarHBondContact N-OE1 2.79Å; H1141-E1182 VanDerWaalsContact O-CG 3.31Å; H1141-E1182 WeakPolarHBondContact O-CG 3.38Å; E1182-R1184 PolarHBondContact O-N 3.13Å |
| 1183 | D | 76.1 | Confident | 82.7 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 3.2 | 171.9 | 74.1 | -17.2 | 0 | 0 | 0 | 114 | G1181 Q1185 | G1181-D1183 PolarHBondContact O-N 3.21Å; D1183-Q1185 PolarHBondContact O-N 3.39Å; D1183-Q1185 WeakPolarHBondContact OD1-CB 3.32Å; D1183-Q1185 PolarHBondContact OD1-N 3.07Å; D1183-Q1185 WeakPolarHBondContact OD2-CG 3.39Å |
| 1184 | R | 86.5 | Confident | 82.3 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 25% | 0.249 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 63.9 | 10.5 | -176.2 | -45.8 | -47.4 | -156.7 | -164.6 | 3.9 | 115.6 | I1180 G1181 E1182 T1249 P1250 V1258 N1260 | I1180-R1184 HydrophobicContact CG2-CB 4.39Å; G1181-R1184 WeakPolarHBondContact O-CA 3.39Å; G1181-R1184 PolarHBondContact O-N 3.47Å; E1182-R1184 PolarHBondContact O-N 3.13Å; R1184-T1249 HydrophobicContact CB-CG2 4.27Å; R1184-T1249 HydrophobicContact CG-CG2 3.91Å; R1184-P1250 WeakPolarHBondContact CG-O 3.29Å; R1184-P1250 PolarHBondContact NE-O 3.37Å; R1184-P1250 PolarHBondContact NH2-O 3.12Å; R1184-V1258 HydrophobicContact CB-CB 3.82Å; R1184-V1258 HydrophobicContact CB-CG1 4.07Å; R1184-V1258 HydrophobicContact CB-CG2 4.04Å; R1184-V1258 WeakPolarHBondContact O-CG1 3.28Å; R1184-N1260 PolarHBondContact O-ND2 3.16Å |
| 1185 | Q | 85.9 | Confident | 82 | Confident | 80 Ų | 80 | 62.7 Ų | 62.7 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -86.1 | 168.1 | 174.3 | -58.8 | -156.2 | 23.6 | 0 | 0 | 111.6 | I1180 G1181 D1183 A1187 F1269 | I1180-Q1185 WeakPolarHBondContact CA-O 3.47Å; G1181-Q1185 PolarHBondContact N-O 3.33Å; D1183-Q1185 PolarHBondContact O-N 3.39Å; D1183-Q1185 WeakPolarHBondContact OD1-CB 3.32Å; D1183-Q1185 PolarHBondContact OD1-N 3.07Å; D1183-Q1185 WeakPolarHBondContact OD2-CG 3.39Å; Q1185-A1187 PolarHBondContact O-N 3.25Å; Q1185-F1269 HydrophobicContact CG-CD2 3.97Å; Q1185-F1269 HydrophobicContact CG-CE2 4.49Å |
| 1186 | P | 86.8 | Confident | 81.8 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 24% | 0.24 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 123.8 | -178.5 | -16.3 | 31.7 | 0 | 0 | 0 | 111.2 | N1260 L1267 | P1186-N1260 VanDerWaalsContact CD-OD1 3.24Å; P1186-N1260 WeakPolarHBondContact CD-OD1 3.36Å; P1186-N1260 HydrophobicContact CG-CB 4.47Å; P1186-N1260 WeakPolarHBondContact CG-OD1 3.38Å; P1186-L1267 HydrophobicContact CB-CB 4.03Å; P1186-L1267 HydrophobicContact CB-CD2 4.17Å; P1186-L1267 HydrophobicContact CB-CG 4.06Å; P1186-L1267 WeakPolarHBondContact CB-O 3.4Å; P1186-L1267 HydrophobicContact CG-CB 4.44Å; P1186-L1267 HydrophobicContact CG-CD2 4.46Å; P1186-L1267 HydrophobicContact CG-CG 4.1Å; P1186-L1267 WeakPolarHBondContact CG-O 3.39Å |
| 1187 | A | 84.7 | Confident | 81.7 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 21% | 0.207 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 164.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1142 Y1179 Q1185 | T1142-A1187 HydrophobicContact CG2-CB 3.7Å; Y1179-A1187 PolarHBondContact O-N 3.35Å; Q1185-A1187 PolarHBondContact O-N 3.25Å |
| 1188 | S | 82.6 | Confident | 81.3 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 158.9 | 160.8 | -68.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1189 | A | 83 | Confident | 80.9 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 127.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y1179 | Y1179-A1189 HydrophobicContact CD1-CB 4.29Å; Y1179-A1189 HydrophobicContact CD2-CB 3.96Å; Y1179-A1189 HydrophobicContact CE1-CB 3.87Å; Y1179-A1189 HydrophobicContact CE2-CB 3.52Å; Y1179-A1189 HydrophobicContact CG-CB 4.31Å; Y1179-A1189 VanDerWaalsContact CZ-CB 3.43Å |
| 1190 | P | 75.7 | Confident | 80.2 | Confident | 20 Ų | 20 | 66.5 Ų | 66.5 | 13% | 0.13 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 142.6 | -178.1 | 29.4 | -36.6 | 0 | 0 | 0 | 110.4 | M1195 R1196 | P1190-M1195 HydrophobicContact CB-CB 4.15Å; P1190-R1196 HydrophobicContact CG-CG 3.4Å; P1190-R1196 VanDerWaalsContact CG-CG 3.4Å; P1190-R1196 PolarHBondContact O-NH2 3.44Å |
| 1191 | Q | 73.6 | Confident | 79.6 | Confident | 206 Ų | 206 | 67.5 Ų | 67.5 | 96% | 0.963 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -72.8 | -37 | -177.4 | -64.1 | -176.8 | 2.9 | 0 | 0 | 112.1 | ||
| 1192 | D | 75.4 | Confident | 79.6 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -88.6 | 139.5 | 167.6 | -169.9 | -4.5 | 0 | 0 | 0 | 109.7 | S1194 M1195 | D1192-S1194 VanDerWaalsContact C-N 3.33Å; D1192-S1194 PolarHBondContact OD1-N 3.04Å; D1192-S1194 PolarHBondContact OD1-OG 2.82Å; D1192-S1194 PolarHBondContact OD2-OG 2.79Å; D1192-M1195 HydrophobicContact CB-CG 4.23Å |
| 1193 | Q | 75.8 | Confident | 79.8 | Confident | 158 Ų | 158 | 73.1 Ų | 73.1 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -75.1 | -24 | 173.5 | -65.1 | -178 | -2.7 | 0 | 0 | 112 | M1195 R1196 | Q1193-M1195 PolarHBondContact O-N 3.12Å; Q1193-R1196 WeakPolarHBondContact O-CB 3.39Å; Q1193-R1196 PolarHBondContact O-N 2.93Å; Q1193-R1196 VanDerWaalsContact O-N 3.15Å |
| 1194 | S | 74.4 | Confident | 80.2 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.1 | 177 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | D1192 R1196 | D1192-S1194 VanDerWaalsContact C-N 3.33Å; D1192-S1194 PolarHBondContact OD1-N 3.04Å; D1192-S1194 PolarHBondContact OD1-OG 2.82Å; D1192-S1194 PolarHBondContact OD2-OG 2.79Å; S1194-R1196 VanDerWaalsContact C-N 3.3Å; S1194-R1196 PolarHBondContact O-N 2.83Å |
| 1195 | M | 74.1 | Confident | 80 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 18% | 0.177 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -2.2 | 179.9 | -56.8 | -55.2 | -57.8 | 0 | 0 | 113.3 | G1139 H1141 T1142 P1190 D1192 Q1193 | G1139-M1195 WeakPolarHBondContact O-CE 3.36Å; H1141-M1195 WeakPolarHBondContact CA-O 3.21Å; H1141-M1195 HydrophobicContact CB-CE 4.44Å; T1142-M1195 PolarHBondContact N-O 2.72Å; P1190-M1195 HydrophobicContact CB-CB 4.15Å; D1192-M1195 HydrophobicContact CB-CG 4.23Å; Q1193-M1195 PolarHBondContact O-N 3.12Å |
| 1196 | R | 79.2 | Confident | 79.9 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 24% | 0.238 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.6 | 178 | -65.9 | 170.6 | 177.6 | -106.3 | -12.2 | 110 | E1144 Y1179 P1190 Q1193 S1194 P1198 | E1144-R1196 IonicContact OE1-NH1 2.85Å; E1144-R1196 PolarHBondContact OE1-NH1 2.89Å; E1144-R1196 WeakPolarHBondContact OE2-CD 3.49Å; E1144-R1196 IonicContact OE2-CZ 3.69Å; E1144-R1196 IonicContact OE2-NE 3.95Å; E1144-R1196 IonicContact OE2-NH1 2.73Å; E1144-R1196 PolarHBondContact OE2-NH1 3.08Å; Y1179-R1196 PolarHBondContact OH-NH1 3.32Å; Y1179-R1196 PolarHBondContact OH-NH2 3.43Å; P1190-R1196 HydrophobicContact CG-CG 3.4Å; P1190-R1196 VanDerWaalsContact CG-CG 3.4Å; P1190-R1196 PolarHBondContact O-NH2 3.44Å; Q1193-R1196 WeakPolarHBondContact O-CB 3.39Å; Q1193-R1196 PolarHBondContact O-N 2.93Å; Q1193-R1196 VanDerWaalsContact O-N 3.15Å; S1194-R1196 VanDerWaalsContact C-N 3.3Å; S1194-R1196 PolarHBondContact O-N 2.83Å; R1196-P1198 WeakPolarHBondContact O-CD 3.46Å |
| 1197 | L | 81.1 | Confident | 79.8 | Confident | 87 Ų | 87 | 78.5 Ų | 78.5 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.4 | 164.7 | -61.9 | 177.7 | 0 | 0 | 0 | 107.5 | H1141 T1142 L1143 E1144 | H1141-L1197 HydrophobicContact CB-CD1 3.82Å; H1141-L1197 HydrophobicContact CB-CG 4.09Å; T1142-L1197 PolarHBondContact O-N 2.79Å; L1143-L1197 WeakPolarHBondContact CA-O 3.4Å; E1144-L1197 PolarHBondContact N-O 2.86Å |
| 1198 | P | 81.1 | Confident | 80 | Confident | 105 Ų | 105 | 81.1 Ų | 81.1 | 68% | 0.682 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 144.7 | 172 | 30.5 | -33.7 | 0 | 0 | 0 | 109.7 | R1196 | R1196-P1198 WeakPolarHBondContact O-CD 3.46Å |
| 1199 | L | 83.2 | Confident | 80.4 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 13% | 0.126 | 43% | 0.433 | C | S | . | . | trans | -60.4 | 137.4 | 166.3 | -167.2 | 69.3 | 0 | 0 | 0 | 109.9 | L1143 F1145 T1149 A1229 D1230 | L1143-L1199 HydrophobicContact CD1-CD1 4.38Å; F1145-L1199 HydrophobicContact CD1-CD2 4.32Å; F1145-L1199 HydrophobicContact CD2-CD1 3.8Å; F1145-L1199 HydrophobicContact CD2-CD2 3.66Å; F1145-L1199 HydrophobicContact CD2-CG 4.33Å; F1145-L1199 HydrophobicContact CE1-CD2 4.07Å; F1145-L1199 HydrophobicContact CE2-CD1 3.75Å; F1145-L1199 HydrophobicContact CE2-CD2 3.37Å; F1145-L1199 HydrophobicContact CE2-CG 4.23Å; F1145-L1199 HydrophobicContact CG-CD2 4.1Å; F1145-L1199 HydrophobicContact CZ-CD2 3.56Å; T1149-L1199 HydrophobicContact CG2-CD2 4.19Å; L1199-A1229 HydrophobicContact CD2-CB 3.71Å; L1199-A1229 HydrophobicContact CG-CB 4.27Å; L1199-D1230 HydrophobicContact CD1-CB 4.27Å; L1199-D1230 VanDerWaalsContact CD1-OD2 3.27Å; L1199-D1230 WeakPolarHBondContact CD1-OD2 3.38Å | ||
| 1200 | A | 74.7 | Confident | 80.8 | Confident | 91 Ų | 91 | 75.5 Ų | 75.5 | 75% | 0.752 | 41% | 0.414 | S | S | * | . | trans | -96.7 | -36.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1230 | A1200-D1230 PolarHBondContact N-OD2 2.99Š| ||
| 1201 | G | 75.8 | Confident | 81.6 | Confident | 21 Ų | 21 | 74.6 Ų | 74.6 | 22% | 0.216 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -84.1 | 160.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1229 D1230 | G1201-A1229 WeakPolarHBondContact O-CB 3.48Å; G1201-D1230 VanDerWaalsContact CA-OD1 3.24Å; G1201-D1230 WeakPolarHBondContact CA-OD1 3.43Å; G1201-D1230 PolarHBondContact N-OD1 3.29Å; G1201-D1230 PolarHBondContact N-OD2 3.41Å |
| 1202 | N | 82.3 | Confident | 82.3 | Confident | 146 Ų | 146 | 64.8 Ų | 64.8 | 78% | 0.781 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -95.2 | 158.6 | 167.4 | -64.4 | -74.6 | 0 | 0 | 0 | 109.8 | A1229 | N1202-A1229 WeakPolarHBondContact O-CA 3.1Å; N1202-A1229 WeakPolarHBondContact O-CB 3.4Å |
| 1203 | A | 83.3 | Confident | 82.9 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 146.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T1149 Q1152 V1153 | T1149-A1203 HydrophobicContact CG2-CB 3.88Å; Q1152-A1203 HydrophobicContact CG-CB 4.32Å; V1153-A1203 HydrophobicContact CG2-CB 3.73Å |
| 1204 | P | 84.3 | Confident | 83.3 | Confident | 31 Ų | 31 | 54 Ų | 54 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 146.3 | 177.2 | 27.7 | -35.1 | 0 | 0 | 0 | 111.4 | Q1156 E1206 | Q1156-P1204 PolarHBondContact NE2-O 3.12Å; P1204-E1206 WeakPolarHBondContact CB-O 3.47Å; P1204-E1206 PolarHBondContact O-N 3.39Å |
| 1205 | N | 82.8 | Confident | 83.3 | Confident | 151 Ų | 151 | 52.3 Ų | 52.3 | 81% | 0.807 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -64.5 | -30 | -179.7 | -68.5 | -28.2 | 0 | 0 | 0 | 112.4 | Q1156 | Q1156-N1205 PolarHBondContact NE2-O 3.43Š|
| 1206 | E | 84.1 | Confident | 83 | Confident | 154 Ų | 154 | 57.5 Ų | 57.5 | 72% | 0.72 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -127.4 | 157.4 | -179.9 | -62 | -172 | 177.6 | 0 | 0 | 110.9 | P1204 I1208 | P1204-E1206 WeakPolarHBondContact CB-O 3.47Å; P1204-E1206 PolarHBondContact O-N 3.39Å; E1206-I1208 PolarHBondContact O-N 3.17Å |
| 1207 | L | 85.4 | Confident | 82.4 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | trans | -82.7 | 112.5 | 179 | -83.9 | 173.8 | 0 | 0 | 0 | 112.3 | V1153 Q1156 M1157 H1160 W1161 P1209 V1226 | V1153-L1207 HydrophobicContact CG1-CD2 4.02Å; Q1156-L1207 HydrophobicContact CB-CD1 3.67Å; Q1156-L1207 HydrophobicContact CB-CD2 4.22Å; Q1156-L1207 HydrophobicContact CB-CG 3.7Å; Q1156-L1207 WeakPolarHBondContact O-CD1 3.15Å; M1157-L1207 HydrophobicContact CB-CD1 4.42Å; M1157-L1207 HydrophobicContact CG-CD1 3.87Å; M1157-L1207 HydrophobicContact CG-CD2 3.85Å; H1160-L1207 HydrophobicContact CB-CD1 3.87Å; W1161-L1207 HydrophobicContact CH2-CD1 4.3Å; W1161-L1207 HydrophobicContact CZ3-CD1 3.88Å; L1207-P1209 WeakPolarHBondContact O-CD 3.37Å; L1207-V1226 HydrophobicContact CD2-CB 3.98Å; L1207-V1226 HydrophobicContact CD2-CG1 4.16Å; L1207-V1226 HydrophobicContact CD2-CG2 3.64Å | ||
| 1208 | I | 88.2 | Confident | 81.9 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 41% | 0.41 | 35% | 0.347 | S | S | . | . | trans | -98.2 | 109.7 | 169.1 | -51.3 | 173.4 | 0 | 0 | 0 | 107.7 | E1206 V1226 H1227 | E1206-I1208 PolarHBondContact O-N 3.17Å; I1208-V1226 CarbonylContact O-C 3.5Å; I1208-V1226 WeakPolarHBondContact O-CA 3.37Å; I1208-V1226 WeakPolarHBondContact O-CB 3.39Å; I1208-H1227 HydrophobicContact CB-CB 4.25Å; I1208-H1227 VanDerWaalsContact CG2-CD2 3.48Å; I1208-H1227 WeakPolarHBondContact CG2-CD2 3.44Å; I1208-H1227 PolarHBondContact O-CD2 3.02Å; I1208-H1227 PolarHBondContact O-N 3.16Å | ||
| 1209 | P | 90.3 | Very high | 81.2 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 138.2 | 175 | -5.8 | 21.7 | 0 | 0 | 0 | 110 | L763 W1161 L1207 H1307 Q1312 | L763-P1209 HydrophobicContact CD1-CB 3.53Å; L763-P1209 HydrophobicContact CD1-CG 3.75Å; W1161-P1209 HydrophobicContact CH2-CB 4.38Å; W1161-P1209 HydrophobicContact CH2-CG 4.05Å; W1161-P1209 HydrophobicContact CZ2-CG 4.15Å; L1207-P1209 WeakPolarHBondContact O-CD 3.37Å; P1209-H1307 HydrophobicContact CB-CB 4.17Å; P1209-Q1312 PolarHBondContact O-NE2 2.76Å |
| 1210 | A | 90.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -55.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1225 L1233 I1306 H1307 L1316 | A1210-L1225 PolarHBondContact N-O 2.84Å; A1210-L1233 HydrophobicContact CB-CD1 4.07Å; A1210-L1233 HydrophobicContact CB-CD2 3.86Å; A1210-I1306 CarbonylContact O-C 3.6Å; A1210-I1306 WeakPolarHBondContact O-CA 3.36Å; A1210-H1307 PolarHBondContact O-N 3.29Å; A1210-L1316 HydrophobicContact CB-CD2 4.36Å |
| 1211 | I | 92.5 | Very high | 81.6 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139.2 | -171.7 | -53.8 | 168.8 | 0 | 0 | 0 | 109.7 | L1223 L1225 L1233 L1257 M1291 F1293 A1304 A1305 L1320 | I1211-L1223 HydrophobicContact CG2-CD2 4.35Å; I1211-L1225 HydrophobicContact CB-CB 4.31Å; I1211-L1225 HydrophobicContact CD1-CD1 4.47Å; I1211-L1225 PolarHBondContact N-O 3.07Å; I1211-L1225 VanDerWaalsContact N-O 3.12Å; I1211-L1225 PolarHBondContact O-N 3.38Å; I1211-L1233 HydrophobicContact CD1-CD1 3.62Å; I1211-L1233 HydrophobicContact CG1-CD1 4.25Å; I1211-L1257 HydrophobicContact CD1-CD2 3.74Å; I1211-M1291 HydrophobicContact CD1-SD 3.76Å; I1211-F1293 HydrophobicContact CD1-CZ 4.42Å; I1211-F1293 HydrophobicContact CG2-CE2 3.92Å; I1211-F1293 HydrophobicContact CG2-CZ 4.23Å; I1211-A1304 HydrophobicContact CG2-CB 3.57Å; I1211-A1305 CarbonylContact C-O 3.55Å; I1211-A1305 WeakPolarHBondContact CA-O 3.22Å; I1211-L1320 HydrophobicContact CD1-CD1 3.81Å; I1211-L1320 HydrophobicContact CD1-CD2 3.81Å; I1211-L1320 HydrophobicContact CD1-CG 4.49Å; I1211-L1320 HydrophobicContact CG1-CD1 4.35Å |
| 1212 | A | 90.1 | Very high | 82.2 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 148.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L763 L767 L1223 L1224 A1304 A1305 | L763-A1212 HydrophobicContact CD2-CB 4.43Å; L767-A1212 HydrophobicContact CD1-CB 3.8Å; L767-A1212 HydrophobicContact CD2-CB 3.51Å; L767-A1212 HydrophobicContact CG-CB 4.32Å; A1212-L1223 CarbonylContact C-O 3.58Å; A1212-L1223 VanDerWaalsContact CA-O 3.28Å; A1212-L1223 WeakPolarHBondContact CA-O 3.41Å; A1212-L1224 HydrophobicContact CB-CD1 3.85Å; A1212-A1304 CarbonylContact O-C 3.15Å; A1212-A1304 WeakPolarHBondContact O-CA 3.46Å; A1212-A1305 PolarHBondContact N-O 2.87Å; A1212-A1305 PolarHBondContact O-N 2.61Å |
| 1213 | S | 88.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 133.7 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | L1221 N1222 L1223 F1303 | S1213-L1221 WeakPolarHBondContact O-CD1 3.48Å; S1213-N1222 PolarHBondContact O-N 3Å; S1213-L1223 PolarHBondContact N-O 2.69Å; S1213-L1223 PolarHBondContact O-N 3.44Å; S1213-F1303 WeakPolarHBondContact CB-O 3.3Å; S1213-F1303 PolarHBondContact OG-O 3.08Å |
| 1214 | A | 83.5 | Confident | 83 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L767 L771 Q1220 | L767-A1214 HydrophobicContact CD2-CB 4.39Å; L771-A1214 HydrophobicContact CD1-CB 3.82Å; A1214-Q1220 CarbonylContact C-O 3.59Å; A1214-Q1220 VanDerWaalsContact CA-O 3.24Å; A1214-Q1220 WeakPolarHBondContact CA-O 3.36Å; A1214-Q1220 WeakPolarHBondContact CB-O 3.5Å |
| 1215 | D | 73.8 | Confident | 83.5 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | trans | -64.4 | 136.5 | 174.4 | -175.1 | -64 | 0 | 0 | 0 | 110.6 | D1217 N1218 R1219 Q1220 N1222 | D1215-D1217 PolarHBondContact OD1-N 3.47Å; D1215-N1218 VanDerWaalsContact CB-OD1 3.25Å; D1215-N1218 WeakPolarHBondContact CB-OD1 3.33Å; D1215-N1218 VanDerWaalsContact CG-OD1 3.25Å; D1215-N1218 VanDerWaalsContact OD1-CG 3.28Å; D1215-N1218 PolarHBondContact OD1-N 2.96Å; D1215-N1218 PolarHBondContact OD1-ND2 3.37Å; D1215-N1218 PolarHBondContact OD1-OD1 2.84Å; D1215-N1218 PolarHBondContact OD2-ND2 3.44Å; D1215-R1219 WeakPolarHBondContact O-CA 3.4Å; D1215-R1219 PolarHBondContact O-N 3.27Å; D1215-Q1220 PolarHBondContact N-O 2.88Å; D1215-N1222 PolarHBondContact N-ND2 2.69Å | ||
| 1216 | K | 67.8 | Low | 84 | Confident | 145 Ų | 145 | 44.7 Ų | 44.7 | 63% | 0.63 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -33.6 | -176.1 | -70.5 | -174.1 | 174.7 | -177 | 0 | 113 | ||
| 1217 | D | 66.6 | Low | 84.5 | Confident | 153 Ų | 153 | 38.8 Ų | 38.8 | 82% | 0.818 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -51.8 | -167.6 | -57 | -35.8 | 0 | 0 | 0 | 110.8 | D1215 | D1215-D1217 PolarHBondContact OD1-N 3.47Š|
| 1218 | N | 71.3 | Confident | 84.8 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -7.5 | -179.8 | 66.9 | 54.5 | 0 | 0 | 0 | 113.6 | D1215 Q1220 | D1215-N1218 VanDerWaalsContact CB-OD1 3.25Å; D1215-N1218 WeakPolarHBondContact CB-OD1 3.33Å; D1215-N1218 VanDerWaalsContact CG-OD1 3.25Å; D1215-N1218 VanDerWaalsContact OD1-CG 3.28Å; D1215-N1218 PolarHBondContact OD1-N 2.96Å; D1215-N1218 PolarHBondContact OD1-ND2 3.37Å; D1215-N1218 PolarHBondContact OD1-OD1 2.84Å; D1215-N1218 PolarHBondContact OD2-ND2 3.44Å; N1218-Q1220 PolarHBondContact O-N 3.02Å; N1218-Q1220 WeakPolarHBondContact OD1-CB 3.36Å; N1218-Q1220 VanDerWaalsContact OD1-CG 3.25Å; N1218-Q1220 WeakPolarHBondContact OD1-CG 3.39Å; N1218-Q1220 PolarHBondContact OD1-N 3.22Å |
| 1219 | R | 66.8 | Low | 84.8 | Confident | 113 Ų | 113 | 34.5 Ų | 34.5 | 43% | 0.426 | 17% | 0.17 | S | C | . | . | trans | 61.1 | 18.3 | 176.3 | -58.6 | 171.3 | 166.7 | -174.1 | -4.9 | 114.9 | D1215 | D1215-R1219 WeakPolarHBondContact O-CA 3.4Å; D1215-R1219 PolarHBondContact O-N 3.27Å | ||
| 1220 | Q | 80.2 | Confident | 84.6 | Confident | 90 Ų | 90 | 37 Ų | 37 | 42% | 0.421 | 18% | 0.183 | S | C | . | . | trans | -77.1 | 148.4 | 173.2 | -65.6 | -176.7 | 15.9 | 0 | 0 | 111.7 | A1214 D1215 N1218 | A1214-Q1220 CarbonylContact C-O 3.59Å; A1214-Q1220 VanDerWaalsContact CA-O 3.24Å; A1214-Q1220 WeakPolarHBondContact CA-O 3.36Å; A1214-Q1220 WeakPolarHBondContact CB-O 3.5Å; D1215-Q1220 PolarHBondContact N-O 2.88Å; N1218-Q1220 PolarHBondContact O-N 3.02Å; N1218-Q1220 WeakPolarHBondContact OD1-CB 3.36Å; N1218-Q1220 VanDerWaalsContact OD1-CG 3.25Å; N1218-Q1220 WeakPolarHBondContact OD1-CG 3.39Å; N1218-Q1220 PolarHBondContact OD1-N 3.22Å | ||
| 1221 | L | 85 | Confident | 84.4 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130.9 | 172.1 | -173.6 | 76 | 0 | 0 | 0 | 110.8 | F764 I1164 S1213 L1223 L1224 V1236 R1238 L1243 | F764-L1221 HydrophobicContact CE1-CB 4.38Å; F764-L1221 HydrophobicContact CE2-CB 4.32Å; F764-L1221 HydrophobicContact CE2-CD1 3.8Å; F764-L1221 HydrophobicContact CE2-CD2 4.03Å; F764-L1221 HydrophobicContact CE2-CG 4.28Å; F764-L1221 HydrophobicContact CZ-CB 3.63Å; F764-L1221 HydrophobicContact CZ-CD1 3.97Å; F764-L1221 HydrophobicContact CZ-CD2 3.94Å; F764-L1221 HydrophobicContact CZ-CG 4.06Å; I1164-L1221 HydrophobicContact CD1-CD2 4.43Å; I1164-L1221 HydrophobicContact CG2-CD2 3.62Å; S1213-L1221 WeakPolarHBondContact O-CD1 3.48Å; L1221-L1223 WeakPolarHBondContact CD1-O 3.34Å; L1221-L1224 HydrophobicContact CD1-CB 4.23Å; L1221-L1224 HydrophobicContact CD2-CB 3.89Å; L1221-V1236 HydrophobicContact CD2-CG2 3.79Å; L1221-R1238 PolarHBondContact O-NE 3.38Å; L1221-R1238 PolarHBondContact O-NH2 2.94Å; L1221-L1243 HydrophobicContact CD2-CD2 4.49Å |
| 1222 | N | 87.7 | Confident | 84.4 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -35.9 | 174.1 | -63.9 | -35.1 | 0 | 0 | 0 | 112 | S1213 D1215 V1237 R1238 L1302 | S1213-N1222 PolarHBondContact O-N 3Å; D1215-N1222 PolarHBondContact N-ND2 2.69Å; N1222-V1237 CarbonylContact O-C 3.56Å; N1222-V1237 WeakPolarHBondContact O-CA 3.37Å; N1222-R1238 PolarHBondContact O-N 3.31Å; N1222-L1302 HydrophobicContact CB-CD1 3.52Å; N1222-L1302 WeakPolarHBondContact ND2-CD2 3.14Å |
| 1223 | L | 90.4 | Very high | 84.6 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 135.6 | -178.6 | -173.9 | 70.7 | 0 | 0 | 0 | 110.3 | I1211 A1212 S1213 L1221 L1225 V1236 V1237 I1259 F1293 | I1211-L1223 HydrophobicContact CG2-CD2 4.35Å; A1212-L1223 CarbonylContact C-O 3.58Å; A1212-L1223 VanDerWaalsContact CA-O 3.28Å; A1212-L1223 WeakPolarHBondContact CA-O 3.41Å; S1213-L1223 PolarHBondContact N-O 2.69Å; S1213-L1223 PolarHBondContact O-N 3.44Å; L1221-L1223 WeakPolarHBondContact CD1-O 3.34Å; L1223-L1225 HydrophobicContact CD1-CD1 4.08Å; L1223-L1225 HydrophobicContact CD1-CD2 4.14Å; L1223-L1225 HydrophobicContact CD1-CG 3.85Å; L1223-L1225 HydrophobicContact CD2-CD1 4.05Å; L1223-L1225 HydrophobicContact CD2-CG 4.34Å; L1223-L1225 HydrophobicContact CG-CD1 4.25Å; L1223-L1225 HydrophobicContact CG-CG 4.01Å; L1223-V1236 WeakPolarHBondContact CA-O 3.42Å; L1223-V1237 HydrophobicContact CD1-CB 3.9Å; L1223-V1237 HydrophobicContact CD1-CG2 3.84Å; L1223-I1259 HydrophobicContact CD1-CD1 3.75Å; L1223-I1259 HydrophobicContact CD2-CD1 4.07Å; L1223-F1293 HydrophobicContact CD2-CD1 4.1Å; L1223-F1293 HydrophobicContact CD2-CD2 4.1Å; L1223-F1293 HydrophobicContact CD2-CE1 3.87Å; L1223-F1293 HydrophobicContact CD2-CE2 3.85Å; L1223-F1293 HydrophobicContact CD2-CG 4.21Å; L1223-F1293 HydrophobicContact CD2-CZ 3.73Å |
| 1224 | L | 92.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 122.2 | 160.8 | 170.3 | 62.9 | 0 | 0 | 0 | 108.2 | L763 M1157 W1161 I1164 A1212 L1221 G1235 V1236 | L763-L1224 HydrophobicContact CD1-CD1 4.11Å; L763-L1224 HydrophobicContact CD2-CD1 3.88Å; M1157-L1224 HydrophobicContact CE-CD2 3.96Å; M1157-L1224 HydrophobicContact CE-CG 4.09Å; W1161-L1224 HydrophobicContact CD2-CD2 4.26Å; W1161-L1224 HydrophobicContact CE3-CD2 3.98Å; W1161-L1224 HydrophobicContact CZ3-CD2 4.25Å; I1164-L1224 HydrophobicContact CD1-CD2 3.56Å; A1212-L1224 HydrophobicContact CB-CD1 3.85Å; L1221-L1224 HydrophobicContact CD1-CB 4.23Å; L1221-L1224 HydrophobicContact CD2-CB 3.89Å; L1224-G1235 CarbonylContact O-C 3.53Å; L1224-G1235 WeakPolarHBondContact O-CA 3.33Å; L1224-V1236 HydrophobicContact CB-CG2 3.92Å; L1224-V1236 PolarHBondContact N-O 3.35Å; L1224-V1236 PolarHBondContact O-N 3.28Å |
| 1225 | L | 95.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.2 | 179 | -63.4 | 176.8 | 0 | 0 | 0 | 111.4 | A1210 I1211 L1223 L1233 Q1234 A1246 A1248 L1257 | A1210-L1225 PolarHBondContact N-O 2.84Å; I1211-L1225 HydrophobicContact CB-CB 4.31Å; I1211-L1225 HydrophobicContact CD1-CD1 4.47Å; I1211-L1225 PolarHBondContact N-O 3.07Å; I1211-L1225 VanDerWaalsContact N-O 3.12Å; I1211-L1225 PolarHBondContact O-N 3.38Å; L1223-L1225 HydrophobicContact CD1-CD1 4.08Å; L1223-L1225 HydrophobicContact CD1-CD2 4.14Å; L1223-L1225 HydrophobicContact CD1-CG 3.85Å; L1223-L1225 HydrophobicContact CD2-CD1 4.05Å; L1223-L1225 HydrophobicContact CD2-CG 4.34Å; L1223-L1225 HydrophobicContact CG-CD1 4.25Å; L1223-L1225 HydrophobicContact CG-CG 4.01Å; L1225-L1233 HydrophobicContact CB-CB 4.21Å; L1225-L1233 HydrophobicContact CB-CD1 4.36Å; L1225-L1233 HydrophobicContact CD1-CB 4.43Å; L1225-L1233 HydrophobicContact CD1-CD1 4.34Å; L1225-Q1234 CarbonylContact C-O 3.47Å; L1225-Q1234 WeakPolarHBondContact CA-O 3.41Å; L1225-A1246 HydrophobicContact CD2-CB 4.41Å; L1225-A1248 HydrophobicContact CD1-CB 3.82Å; L1225-A1248 HydrophobicContact CD2-CB 4.13Å; L1225-L1257 HydrophobicContact CD1-CD2 3.8Å |
| 1226 | V | 94.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 158.8 | -179.4 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | V1153 M1157 W1161 L1207 I1208 L1233 Q1234 | V1153-V1226 HydrophobicContact CG1-CG2 3.55Å; M1157-V1226 HydrophobicContact CE-CG1 4.04Å; M1157-V1226 HydrophobicContact CG-CG2 4.35Å; M1157-V1226 HydrophobicContact SD-CG1 4.08Å; M1157-V1226 HydrophobicContact SD-CG2 3.75Å; W1161-V1226 HydrophobicContact CH2-CG1 4.03Å; W1161-V1226 HydrophobicContact CZ3-CG1 3.83Å; L1207-V1226 HydrophobicContact CD2-CB 3.98Å; L1207-V1226 HydrophobicContact CD2-CG1 4.16Å; L1207-V1226 HydrophobicContact CD2-CG2 3.64Å; I1208-V1226 CarbonylContact O-C 3.5Å; I1208-V1226 WeakPolarHBondContact O-CA 3.37Å; I1208-V1226 WeakPolarHBondContact O-CB 3.39Å; V1226-L1233 CarbonylContact O-C 3.54Å; V1226-L1233 VanDerWaalsContact O-CA 3.26Å; V1226-L1233 WeakPolarHBondContact O-CA 3.39Å; V1226-Q1234 WeakPolarHBondContact CG2-O 3.26Å; V1226-Q1234 PolarHBondContact N-O 3.05Å; V1226-Q1234 PolarHBondContact O-N 2.66Å |
| 1227 | H | 93.2 | Very high | 87.6 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 143 | 173.1 | -72.6 | -100.1 | 0 | 0 | 0 | 111.4 | I1208 Q1312 | I1208-H1227 HydrophobicContact CB-CB 4.25Å; I1208-H1227 VanDerWaalsContact CG2-CD2 3.48Å; I1208-H1227 WeakPolarHBondContact CG2-CD2 3.44Å; I1208-H1227 PolarHBondContact O-CD2 3.02Å; I1208-H1227 PolarHBondContact O-N 3.16Å; H1227-Q1312 PolarHBondContact NE2-OE1 2.86Å |
| 1228 | S | 92.5 | Very high | 88.7 | Confident | 9 Ų | 9 | 25.8 Ų | 25.8 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | trans | -125.2 | -168.5 | 177.4 | 138.1 | 0 | 0 | 0 | 0 | 108.9 | F1145 H1232 Q1234 | F1145-S1228 WeakPolarHBondContact CZ-OG 3.49Å; S1228-H1232 WeakPolarHBondContact CA-O 3.48Å; S1228-H1232 WeakPolarHBondContact CB-O 3.32Å; S1228-H1232 PolarHBondContact N-O 3.35Å; S1228-Q1234 PolarHBondContact OG-NE2 3.18Å | ||
| 1229 | A | 89.1 | Confident | 89.5 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -60.6 | 144.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1145 T1149 L1199 G1201 N1202 H1232 | F1145-A1229 HydrophobicContact CZ-CB 4.5Å; T1149-A1229 HydrophobicContact CG2-CB 3.79Å; L1199-A1229 HydrophobicContact CD2-CB 3.71Å; L1199-A1229 HydrophobicContact CG-CB 4.27Å; G1201-A1229 WeakPolarHBondContact O-CB 3.48Å; N1202-A1229 WeakPolarHBondContact O-CA 3.1Å; N1202-A1229 WeakPolarHBondContact O-CB 3.4Å; A1229-H1232 WeakPolarHBondContact O-CB 3.37Å; A1229-H1232 PolarHBondContact O-CD2 2.74Å; A1229-H1232 PolarHBondContact O-N 3.16Å |
| 1230 | D | 85.8 | Confident | 90.3 | Very high | 72 Ų | 72 | 21.5 Ų | 21.5 | 39% | 0.385 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | -145.2 | -174.9 | -61.4 | -39.6 | 0 | 0 | 0 | 112.4 | L1199 A1200 G1201 H1232 | L1199-D1230 HydrophobicContact CD1-CB 4.27Å; L1199-D1230 VanDerWaalsContact CD1-OD2 3.27Å; L1199-D1230 WeakPolarHBondContact CD1-OD2 3.38Å; A1200-D1230 PolarHBondContact N-OD2 2.99Å; G1201-D1230 VanDerWaalsContact CA-OD1 3.24Å; G1201-D1230 WeakPolarHBondContact CA-OD1 3.43Å; G1201-D1230 PolarHBondContact N-OD1 3.29Å; G1201-D1230 PolarHBondContact N-OD2 3.41Å; D1230-H1232 PolarHBondContact O-N 2.95Å |
| 1231 | D | 86.5 | Confident | 90.4 | Very high | 71 Ų | 71 | 19.7 Ų | 19.7 | 38% | 0.38 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 20.6 | -178.9 | -65.2 | -56.4 | 0 | 0 | 0 | 113.5 | P1250 K1315 | D1231-P1250 WeakPolarHBondContact O-CD 3.16Å; D1231-P1250 WeakPolarHBondContact O-CG 3.46Å; D1231-K1315 WeakPolarHBondContact OD1-CE 3.3Å; D1231-K1315 IonicContact OD1-NZ 3.15Å; D1231-K1315 PolarHBondContact OD1-NZ 2.72Å; D1231-K1315 WeakPolarHBondContact OD2-CE 3.18Å; D1231-K1315 IonicContact OD2-NZ 2.82Å; D1231-K1315 PolarHBondContact OD2-NZ 3.19Å |
| 1232 | H | 91.7 | Very high | 90.6 | Very high | 16 Ų | 16 | 21.9 Ų | 21.9 | 7% | 0.074 | 13% | 0.128 | C | C | . | . | trans | -91.8 | 146.5 | 179.1 | -59.4 | -83 | 0 | 0 | 0 | 111.6 | L1143 F1145 S1228 A1229 D1230 L1247 T1249 | L1143-H1232 WeakPolarHBondContact CD2-CE1 3.37Å; L1143-H1232 WeakPolarHBondContact CD2-NE2 3.31Å; F1145-H1232 HydrophobicContact CE2-CB 4.1Å; F1145-H1232 AromaticContact CE2-CD2 3.94Å; F1145-H1232 AromaticContact CE2-CG 3.95Å; S1228-H1232 WeakPolarHBondContact CA-O 3.48Å; S1228-H1232 WeakPolarHBondContact CB-O 3.32Å; S1228-H1232 PolarHBondContact N-O 3.35Å; A1229-H1232 WeakPolarHBondContact O-CB 3.37Å; A1229-H1232 PolarHBondContact O-CD2 2.74Å; A1229-H1232 PolarHBondContact O-N 3.16Å; D1230-H1232 PolarHBondContact O-N 2.95Å; H1232-L1247 HydrophobicContact CB-CD1 4.19Å; H1232-T1249 VanDerWaalsContact CE1-CG2 3.42Å; H1232-T1249 WeakPolarHBondContact CE1-CG2 3.41Å; H1232-T1249 WeakPolarHBondContact ND1-CG2 3.41Å; H1232-T1249 PolarHBondContact ND1-OG1 2.97Å | ||
| 1233 | L | 94.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149.3 | 167.7 | -57.1 | -178.3 | 0 | 0 | 0 | 109.9 | A1210 I1211 L1225 V1226 A1248 L1257 L1316 L1320 | A1210-L1233 HydrophobicContact CB-CD1 4.07Å; A1210-L1233 HydrophobicContact CB-CD2 3.86Å; I1211-L1233 HydrophobicContact CD1-CD1 3.62Å; I1211-L1233 HydrophobicContact CG1-CD1 4.25Å; L1225-L1233 HydrophobicContact CB-CB 4.21Å; L1225-L1233 HydrophobicContact CB-CD1 4.36Å; L1225-L1233 HydrophobicContact CD1-CB 4.43Å; L1225-L1233 HydrophobicContact CD1-CD1 4.34Å; V1226-L1233 CarbonylContact O-C 3.54Å; V1226-L1233 VanDerWaalsContact O-CA 3.26Å; V1226-L1233 WeakPolarHBondContact O-CA 3.39Å; L1233-A1248 HydrophobicContact CB-CB 4.3Å; L1233-A1248 PolarHBondContact N-O 2.72Å; L1233-A1248 PolarHBondContact O-N 2.8Å; L1233-A1248 VanDerWaalsContact O-O 3.09Å; L1233-L1257 HydrophobicContact CD1-CD1 4.44Å; L1233-L1257 HydrophobicContact CD1-CD2 4.1Å; L1233-L1316 HydrophobicContact CD1-CD1 4.4Å; L1233-L1316 HydrophobicContact CD2-CD1 4.16Å; L1233-L1320 HydrophobicContact CD1-CD2 4.3Å |
| 1234 | Q | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 165.6 | 175.8 | -77.7 | -178.5 | 41.2 | 0 | 0 | 111.2 | F1145 F1150 V1153 L1225 V1226 S1228 A1246 L1247 | F1145-Q1234 VanDerWaalsContact CE1-NE2 3.33Å; F1150-Q1234 VanDerWaalsContact CD2-CD 3.46Å; F1150-Q1234 HydrophobicContact CD2-CG 4Å; F1150-Q1234 HydrophobicContact CE2-CG 4.06Å; F1150-Q1234 PolarHBondContact O-OE1 2.86Å; V1153-Q1234 HydrophobicContact CG1-CB 4.14Å; L1225-Q1234 CarbonylContact C-O 3.47Å; L1225-Q1234 WeakPolarHBondContact CA-O 3.41Å; V1226-Q1234 WeakPolarHBondContact CG2-O 3.26Å; V1226-Q1234 PolarHBondContact N-O 3.05Å; V1226-Q1234 PolarHBondContact O-N 2.66Å; S1228-Q1234 PolarHBondContact OG-NE2 3.18Å; Q1234-A1246 CarbonylContact C-O 3.59Å; Q1234-A1246 WeakPolarHBondContact CA-O 3.49Å; Q1234-L1247 HydrophobicContact CG-CD1 3.69Å |
| 1235 | G | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.8 | -121.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1157 L1224 P1245 A1246 | M1157-G1235 VanDerWaalsContact SD-CA 3.55Å; L1224-G1235 CarbonylContact O-C 3.53Å; L1224-G1235 WeakPolarHBondContact O-CA 3.33Å; G1235-P1245 CarbonylContact O-C 3.49Å; G1235-P1245 WeakPolarHBondContact O-CA 3.08Å; G1235-A1246 PolarHBondContact N-O 2.96Å; G1235-A1246 PolarHBondContact O-N 3.09Å |
| 1236 | V | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 140.8 | -174.7 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | M1154 I1164 M1165 V1168 L1221 L1223 L1224 L1243 Y1244 | M1154-V1236 HydrophobicContact CE-CG1 4.16Å; I1164-V1236 HydrophobicContact CG2-CG2 4.21Å; M1165-V1236 HydrophobicContact SD-CG1 3.93Å; V1168-V1236 HydrophobicContact CG1-CG1 4.13Å; V1168-V1236 HydrophobicContact CG2-CB 4.27Å; V1168-V1236 HydrophobicContact CG2-CG1 3.52Å; L1221-V1236 HydrophobicContact CD2-CG2 3.79Å; L1223-V1236 WeakPolarHBondContact CA-O 3.42Å; L1224-V1236 HydrophobicContact CB-CG2 3.92Å; L1224-V1236 PolarHBondContact N-O 3.35Å; L1224-V1236 PolarHBondContact O-N 3.28Å; V1236-L1243 HydrophobicContact CB-CD2 4.26Å; V1236-L1243 HydrophobicContact CG2-CD2 4.23Å; V1236-Y1244 VanDerWaalsContact CA-O 3.29Å; V1236-Y1244 WeakPolarHBondContact CA-O 3.39Å |
| 1237 | V | 93.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.6 | 175.6 | 69.6 | 0 | 0 | 0 | 0 | 110.5 | N1222 L1223 L1243 Y1244 A1246 I1259 A1261 A1270 L1295 | N1222-V1237 CarbonylContact O-C 3.56Å; N1222-V1237 WeakPolarHBondContact O-CA 3.37Å; L1223-V1237 HydrophobicContact CD1-CB 3.9Å; L1223-V1237 HydrophobicContact CD1-CG2 3.84Å; V1237-L1243 WeakPolarHBondContact O-CA 3.34Å; V1237-Y1244 PolarHBondContact N-O 3.39Å; V1237-Y1244 PolarHBondContact O-N 3.5Å; V1237-A1246 HydrophobicContact CB-CB 4.09Å; V1237-A1246 HydrophobicContact CG1-CB 3.85Å; V1237-I1259 HydrophobicContact CB-CG2 4.16Å; V1237-I1259 HydrophobicContact CG1-CG2 4.07Å; V1237-I1259 HydrophobicContact CG2-CG2 4.27Å; V1237-A1261 HydrophobicContact CG1-CB 3.8Å; V1237-A1270 HydrophobicContact CG1-CB 4.09Å; V1237-L1295 HydrophobicContact CG2-CD1 3.94Å; V1237-L1295 HydrophobicContact CG2-CD2 3.91Å |
| 1238 | R | 90.1 | Very high | 91.1 | Very high | 33 Ų | 33 | 21.2 Ų | 21.2 | 13% | 0.125 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 113.7 | 175.6 | -165.3 | 172.1 | -64.1 | -92.3 | 1.4 | 109.1 | E1167 L1221 N1222 G1241 T1242 L1243 | E1167-R1238 IonicContact OE2-CZ 2.73Å; E1167-R1238 IonicContact OE2-NH1 3.55Å; E1167-R1238 IonicContact OE2-NH2 3.89Å; E1167-R1238 PolarHBondContact OE2-NH2 3.45Å; L1221-R1238 PolarHBondContact O-NE 3.38Å; L1221-R1238 PolarHBondContact O-NH2 2.94Å; N1222-R1238 PolarHBondContact O-N 3.31Å; R1238-G1241 PolarHBondContact NH1-O 2.89Å; R1238-T1242 CarbonylContact C-O 3.57Å; R1238-T1242 WeakPolarHBondContact CA-O 3.4Å; R1238-L1243 HydrophobicContact CB-CD2 3.97Å; R1238-L1243 HydrophobicContact CB-CG 4.46Å |
| 1239 | L | 88 | Confident | 91.2 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.9 | 177.2 | -177.2 | 63.8 | 0 | 0 | 0 | 108.6 | G1241 T1242 Y1244 A1261 A1270 K1296 | L1239-G1241 PolarHBondContact O-N 3.25Å; L1239-T1242 PolarHBondContact N-O 2.94Å; L1239-T1242 PolarHBondContact O-N 2.93Å; L1239-T1242 VanDerWaalsContact O-O 3.1Å; L1239-Y1244 HydrophobicContact CB-CD2 4.07Å; L1239-Y1244 HydrophobicContact CB-CE2 4.42Å; L1239-A1261 HydrophobicContact CD2-CB 3.96Å; L1239-A1270 HydrophobicContact CD1-CB 4.4Å; L1239-A1270 HydrophobicContact CD2-CB 4.25Å; L1239-K1296 HydrophobicContact CD1-CB 4.11Å |
| 1240 | N | 83.8 | Confident | 91.3 | Very high | 99 Ų | 99 | 21.1 Ų | 21.1 | 53% | 0.529 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 43.8 | -175.6 | -48.4 | 2.3 | 0 | 0 | 0 | 111.7 | T1242 Q1297 | N1240-T1242 PolarHBondContact O-N 3.05Å; N1240-T1242 VanDerWaalsContact O-N 3.16Å; N1240-Q1297 VanDerWaalsContact OD1-CD 3.23Å; N1240-Q1297 PolarHBondContact OD1-OE1 3.42Å; N1240-Q1297 VanDerWaalsContact OD1-OE1 3.11Å |
| 1241 | G | 82.5 | Confident | 91.3 | Very high | 53 Ų | 53 | 18.3 Ų | 18.3 | 55% | 0.546 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -12.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | R1238 L1239 | R1238-G1241 PolarHBondContact NH1-O 2.89Å; L1239-G1241 PolarHBondContact O-N 3.25Å |
| 1242 | T | 87.5 | Confident | 91 | Very high | 49 Ų | 49 | 18.4 Ų | 18.4 | 30% | 0.301 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.7 | -177.7 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | R1169 R1238 L1239 N1240 Y1244 | R1169-T1242 HydrophobicContact CB-CG2 3.84Å; R1238-T1242 CarbonylContact C-O 3.57Å; R1238-T1242 WeakPolarHBondContact CA-O 3.4Å; L1239-T1242 PolarHBondContact N-O 2.94Å; L1239-T1242 PolarHBondContact O-N 2.93Å; L1239-T1242 VanDerWaalsContact O-O 3.1Å; N1240-T1242 PolarHBondContact O-N 3.05Å; N1240-T1242 VanDerWaalsContact O-N 3.16Å; T1242-Y1244 HydrophobicContact CG2-CD2 4.33Å; T1242-Y1244 HydrophobicContact CG2-CE1 4.45Å; T1242-Y1244 HydrophobicContact CG2-CE2 3.79Å; T1242-Y1244 WeakPolarHBondContact O-CD2 3.18Å |
| 1243 | L | 91.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 129 | 170 | -78.6 | 168.4 | 0 | 0 | 0 | 110.4 | I1164 E1167 V1168 R1169 L1221 V1236 V1237 R1238 | I1164-L1243 HydrophobicContact CG2-CD1 4.43Å; E1167-L1243 HydrophobicContact CB-CD1 3.77Å; V1168-L1243 WeakPolarHBondContact CA-O 3.43Å; V1168-L1243 HydrophobicContact CG2-CB 4.12Å; R1169-L1243 PolarHBondContact N-O 3.09Å; L1221-L1243 HydrophobicContact CD2-CD2 4.49Å; V1236-L1243 HydrophobicContact CB-CD2 4.26Å; V1236-L1243 HydrophobicContact CG2-CD2 4.23Å; V1237-L1243 WeakPolarHBondContact O-CA 3.34Å; R1238-L1243 HydrophobicContact CB-CD2 3.97Å; R1238-L1243 HydrophobicContact CB-CG 4.46Å |
| 1244 | Y | 94.3 | Very high | 89.9 | Confident | 25 Ų | 25 | 24.6 Ų | 24.6 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 153.2 | 171.9 | -69.2 | -84.7 | 0 | 0 | 0 | 110.2 | R1169 V1236 V1237 L1239 T1242 T1263 | R1169-Y1244 HydrophobicContact CB-CD1 4.13Å; R1169-Y1244 HydrophobicContact CB-CE1 3.92Å; R1169-Y1244 HydrophobicContact CG-CD1 4.44Å; R1169-Y1244 HydrophobicContact CG-CE1 3.9Å; R1169-Y1244 PolarHBondContact NH1-OH 3.37Å; R1169-Y1244 WeakPolarHBondContact O-CD1 3.34Å; V1236-Y1244 VanDerWaalsContact CA-O 3.29Å; V1236-Y1244 WeakPolarHBondContact CA-O 3.39Å; V1237-Y1244 PolarHBondContact N-O 3.39Å; V1237-Y1244 PolarHBondContact O-N 3.5Å; L1239-Y1244 HydrophobicContact CB-CD2 4.07Å; L1239-Y1244 HydrophobicContact CB-CE2 4.42Å; T1242-Y1244 HydrophobicContact CG2-CD2 4.33Å; T1242-Y1244 HydrophobicContact CG2-CE1 4.45Å; T1242-Y1244 HydrophobicContact CG2-CE2 3.79Å; T1242-Y1244 WeakPolarHBondContact O-CD2 3.18Å; Y1244-T1263 HydrophobicContact CD1-CG2 4.23Å; Y1244-T1263 HydrophobicContact CE1-CG2 4.33Å; Y1244-T1263 HydrophobicContact CG-CG2 4.48Å |
| 1245 | P | 95.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 145.1 | 166.2 | -19.7 | 32.1 | 0 | 0 | 0 | 110.5 | F1150 M1154 V1168 R1169 G1235 A1261 L1262 | F1150-P1245 HydrophobicContact CE1-CB 3.82Å; F1150-P1245 HydrophobicContact CZ-CB 3.67Å; M1154-P1245 HydrophobicContact CE-CB 3.86Å; M1154-P1245 HydrophobicContact CE-CG 4.25Å; M1154-P1245 HydrophobicContact SD-CB 4.18Å; V1168-P1245 HydrophobicContact CG1-CG 3.78Å; R1169-P1245 WeakPolarHBondContact O-CD 3.39Å; G1235-P1245 CarbonylContact O-C 3.49Å; G1235-P1245 WeakPolarHBondContact O-CA 3.08Å; P1245-A1261 CarbonylContact O-C 3.53Å; P1245-A1261 WeakPolarHBondContact O-CA 3.39Å; P1245-L1262 HydrophobicContact CB-CB 4.31Å; P1245-L1262 PolarHBondContact O-N 3Å |
| 1246 | A | 95 | Very high | 89.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1150 L1225 Q1234 G1235 V1237 I1259 N1260 | F1150-A1246 WeakPolarHBondContact CE2-O 3.32Å; L1225-A1246 HydrophobicContact CD2-CB 4.41Å; Q1234-A1246 CarbonylContact C-O 3.59Å; Q1234-A1246 WeakPolarHBondContact CA-O 3.49Å; G1235-A1246 PolarHBondContact N-O 2.96Å; G1235-A1246 PolarHBondContact O-N 3.09Å; V1237-A1246 HydrophobicContact CB-CB 4.09Å; V1237-A1246 HydrophobicContact CG1-CB 3.85Å; A1246-I1259 HydrophobicContact CB-CG2 4.17Å; A1246-N1260 CarbonylContact C-O 3.58Å; A1246-N1260 WeakPolarHBondContact CA-O 3.38Å |
| 1247 | L | 95.1 | Very high | 89 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 117.8 | 168.4 | 179.1 | 52.2 | 0 | 0 | 0 | 107.6 | F1145 F1150 L1178 I1180 H1232 Q1234 N1260 | F1145-L1247 HydrophobicContact CB-CD2 4.14Å; F1145-L1247 HydrophobicContact CD1-CD2 4.05Å; F1145-L1247 HydrophobicContact CD2-CD1 4.25Å; F1145-L1247 HydrophobicContact CD2-CD2 4.03Å; F1145-L1247 HydrophobicContact CE2-CD1 4.06Å; F1145-L1247 HydrophobicContact CG-CD2 3.78Å; F1145-L1247 HydrophobicContact CZ-CD1 4.32Å; F1150-L1247 HydrophobicContact CD2-CB 4.4Å; F1150-L1247 HydrophobicContact CE2-CB 3.94Å; L1178-L1247 HydrophobicContact CD1-CD2 3.85Å; I1180-L1247 HydrophobicContact CD1-CD2 3.57Å; I1180-L1247 HydrophobicContact CD1-CG 3.92Å; H1232-L1247 HydrophobicContact CB-CD1 4.19Å; Q1234-L1247 HydrophobicContact CG-CD1 3.69Å; L1247-N1260 PolarHBondContact N-O 2.81Å; L1247-N1260 PolarHBondContact O-N 2.76Å |
| 1248 | A | 94.9 | Very high | 89 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1225 L1233 L1257 V1258 I1259 | L1225-A1248 HydrophobicContact CD1-CB 3.82Å; L1225-A1248 HydrophobicContact CD2-CB 4.13Å; L1233-A1248 HydrophobicContact CB-CB 4.3Å; L1233-A1248 PolarHBondContact N-O 2.72Å; L1233-A1248 PolarHBondContact O-N 2.8Å; L1233-A1248 VanDerWaalsContact O-O 3.09Å; A1248-L1257 HydrophobicContact CB-CD1 4.05Å; A1248-L1257 HydrophobicContact CB-CD2 4.18Å; A1248-L1257 HydrophobicContact CB-CG 4.08Å; A1248-V1258 CarbonylContact C-O 3.47Å; A1248-V1258 VanDerWaalsContact CA-O 3.24Å; A1248-V1258 WeakPolarHBondContact CA-O 3.49Å; A1248-I1259 HydrophobicContact CB-CG1 4.03Å |
| 1249 | T | 92.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 127.2 | -167.9 | -59.8 | 0 | 0 | 0 | 0 | 111 | R1184 H1232 V1258 | R1184-T1249 HydrophobicContact CB-CG2 4.27Å; R1184-T1249 HydrophobicContact CG-CG2 3.91Å; H1232-T1249 VanDerWaalsContact CE1-CG2 3.42Å; H1232-T1249 WeakPolarHBondContact CE1-CG2 3.41Å; H1232-T1249 WeakPolarHBondContact ND1-CG2 3.41Å; H1232-T1249 PolarHBondContact ND1-OG1 2.97Å; T1249-V1258 PolarHBondContact N-O 3.5Å; T1249-V1258 PolarHBondContact O-N 2.73Å |
| 1250 | P | 91.7 | Very high | 89.5 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 5% | 0.045 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 135.8 | 169.9 | -31.1 | 38.9 | 0 | 0 | 0 | 113.7 | R1184 D1231 L1257 S1319 | R1184-P1250 WeakPolarHBondContact CG-O 3.29Å; R1184-P1250 PolarHBondContact NE-O 3.37Å; R1184-P1250 PolarHBondContact NH2-O 3.12Å; D1231-P1250 WeakPolarHBondContact O-CD 3.16Å; D1231-P1250 WeakPolarHBondContact O-CG 3.46Å; P1250-L1257 HydrophobicContact CG-CD1 4.25Å; P1250-S1319 WeakPolarHBondContact CB-O 3.34Å |
| 1251 | S | 86.3 | Confident | 90 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | trans | -59.5 | 158.2 | 168.2 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | D1253 N1254 R1255 Q1256 | S1251-D1253 WeakPolarHBondContact CB-OD1 3.46Å; S1251-D1253 PolarHBondContact O-N 2.88Å; S1251-D1253 PolarHBondContact OG-OD1 2.99Å; S1251-N1254 WeakPolarHBondContact O-CA 3.36Å; S1251-N1254 PolarHBondContact O-N 3.25Å; S1251-N1254 PolarHBondContact O-OD1 2.92Å; S1251-N1254 PolarHBondContact OG-N 3.33Å; S1251-R1255 PolarHBondContact OG-N 2.79Å; S1251-Q1256 WeakPolarHBondContact CB-O 3.33Å; S1251-Q1256 PolarHBondContact N-O 3.48Å; S1251-Q1256 PolarHBondContact OG-N 3.04Å; S1251-Q1256 VanDerWaalsContact OG-N 3.08Å; S1251-Q1256 PolarHBondContact OG-O 2.7Å | ||
| 1252 | A | 80 | Confident | 90.6 | Very high | 72 Ų | 72 | 27.1 Ų | 27.1 | 60% | 0.595 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1253 | D | 79.2 | Confident | 90.7 | Very high | 85 Ų | 85 | 25.2 Ų | 25.2 | 46% | 0.455 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 10 | 171.3 | 73 | -23.2 | 0 | 0 | 0 | 113.1 | S1251 R1255 | S1251-D1253 WeakPolarHBondContact CB-OD1 3.46Å; S1251-D1253 PolarHBondContact O-N 2.88Å; S1251-D1253 PolarHBondContact OG-OD1 2.99Å; D1253-R1255 PolarHBondContact O-N 3.46Å; D1253-R1255 PolarHBondContact OD1-N 2.82Å; D1253-R1255 VanDerWaalsContact OD2-CD 3.28Å; D1253-R1255 WeakPolarHBondContact OD2-CD 3.36Å; D1253-R1255 WeakPolarHBondContact OD2-CG 3.35Å; D1253-R1255 IonicContact OD2-CZ 3.64Å; D1253-R1255 IonicContact OD2-NE 3.66Å; D1253-R1255 IonicContact OD2-NH1 2.69Å; D1253-R1255 PolarHBondContact OD2-NH1 3.22Å |
| 1254 | N | 84.5 | Confident | 90.5 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 35% | 0.348 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 54.1 | 6.7 | -175.1 | -62.5 | -11.1 | 0 | 0 | 0 | 116.5 | S1251 Q1256 R1318 L1320 G1321 | S1251-N1254 WeakPolarHBondContact O-CA 3.36Å; S1251-N1254 PolarHBondContact O-N 3.25Å; S1251-N1254 PolarHBondContact O-OD1 2.92Å; S1251-N1254 PolarHBondContact OG-N 3.33Å; N1254-Q1256 PolarHBondContact O-N 3.41Å; N1254-R1318 VanDerWaalsContact CB-O 3.26Å; N1254-R1318 WeakPolarHBondContact CB-O 3.3Å; N1254-R1318 PolarHBondContact ND2-O 2.86Å; N1254-L1320 CarbonylContact O-C 3.55Å; N1254-G1321 WeakPolarHBondContact O-CA 3.48Å; N1254-G1321 PolarHBondContact O-N 3.11Å; N1254-G1321 VanDerWaalsContact O-N 3.1Å |
| 1255 | R | 81.7 | Confident | 90 | Very high | 177 Ų | 177 | 32.9 Ų | 32.9 | 67% | 0.668 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -73.7 | -23.2 | -177 | -70.3 | -167 | 177.7 | 114.1 | -8.3 | 114.9 | S1251 D1253 | S1251-R1255 PolarHBondContact OG-N 2.79Å; D1253-R1255 PolarHBondContact O-N 3.46Å; D1253-R1255 PolarHBondContact OD1-N 2.82Å; D1253-R1255 VanDerWaalsContact OD2-CD 3.28Å; D1253-R1255 WeakPolarHBondContact OD2-CD 3.36Å; D1253-R1255 WeakPolarHBondContact OD2-CG 3.35Å; D1253-R1255 IonicContact OD2-CZ 3.64Å; D1253-R1255 IonicContact OD2-NE 3.66Å; D1253-R1255 IonicContact OD2-NH1 2.69Å; D1253-R1255 PolarHBondContact OD2-NH1 3.22Å |
| 1256 | Q | 89.2 | Confident | 89.6 | Confident | 61 Ų | 61 | 33.7 Ų | 33.7 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | trans | -137.5 | 130.1 | -174.9 | -68.5 | -173.9 | -16.2 | 0 | 0 | 112.2 | S1251 N1254 V1258 Y1272 G1273 E1274 | S1251-Q1256 WeakPolarHBondContact CB-O 3.33Å; S1251-Q1256 PolarHBondContact N-O 3.48Å; S1251-Q1256 PolarHBondContact OG-N 3.04Å; S1251-Q1256 VanDerWaalsContact OG-N 3.08Å; S1251-Q1256 PolarHBondContact OG-O 2.7Å; N1254-Q1256 PolarHBondContact O-N 3.41Å; Q1256-V1258 PolarHBondContact O-N 2.98Å; Q1256-Y1272 HydrophobicContact CG-CD2 4.12Å; Q1256-G1273 CarbonylContact C-O 3.55Å; Q1256-G1273 WeakPolarHBondContact CA-O 3.3Å; Q1256-E1274 HydrophobicContact CG-CG 3.85Å; Q1256-E1274 PolarHBondContact NE2-OE1 2.96Å | ||
| 1257 | L | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 101.7 | 165.4 | -177.8 | 72.2 | 0 | 0 | 0 | 109.2 | I1211 L1225 L1233 A1248 P1250 Y1272 G1273 M1291 F1293 L1320 | I1211-L1257 HydrophobicContact CD1-CD2 3.74Å; L1225-L1257 HydrophobicContact CD1-CD2 3.8Å; L1233-L1257 HydrophobicContact CD1-CD1 4.44Å; L1233-L1257 HydrophobicContact CD1-CD2 4.1Å; A1248-L1257 HydrophobicContact CB-CD1 4.05Å; A1248-L1257 HydrophobicContact CB-CD2 4.18Å; A1248-L1257 HydrophobicContact CB-CG 4.08Å; P1250-L1257 HydrophobicContact CG-CD1 4.25Å; L1257-Y1272 CarbonylContact O-C 3.57Å; L1257-Y1272 VanDerWaalsContact O-CA 3.29Å; L1257-Y1272 WeakPolarHBondContact O-CA 3.38Å; L1257-G1273 PolarHBondContact N-O 2.87Å; L1257-G1273 PolarHBondContact O-N 3.48Å; L1257-M1291 HydrophobicContact CB-CE 4.27Å; L1257-F1293 HydrophobicContact CD2-CE1 4.11Å; L1257-F1293 HydrophobicContact CD2-CZ 3.94Å; L1257-L1320 HydrophobicContact CB-CD2 4.11Å; L1257-L1320 HydrophobicContact CD1-CD2 3.97Å; L1257-L1320 HydrophobicContact CD2-CD2 3.85Å; L1257-L1320 HydrophobicContact CG-CD2 4.19Å |
| 1258 | V | 93.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.1 | 179.7 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | R1184 A1248 T1249 Q1256 F1269 | R1184-V1258 HydrophobicContact CB-CB 3.82Å; R1184-V1258 HydrophobicContact CB-CG1 4.07Å; R1184-V1258 HydrophobicContact CB-CG2 4.04Å; R1184-V1258 WeakPolarHBondContact O-CG1 3.28Å; A1248-V1258 CarbonylContact C-O 3.47Å; A1248-V1258 VanDerWaalsContact CA-O 3.24Å; A1248-V1258 WeakPolarHBondContact CA-O 3.49Å; T1249-V1258 PolarHBondContact N-O 3.5Å; T1249-V1258 PolarHBondContact O-N 2.73Å; Q1256-V1258 PolarHBondContact O-N 2.98Å; V1258-F1269 HydrophobicContact CG1-CD2 3.86Å; V1258-F1269 HydrophobicContact CG1-CE2 3.78Å |
| 1259 | I | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.5 | 178.3 | -55.5 | 165.4 | 0 | 0 | 0 | 110.6 | L1223 V1237 A1246 A1248 A1270 G1271 F1293 L1295 | L1223-I1259 HydrophobicContact CD1-CD1 3.75Å; L1223-I1259 HydrophobicContact CD2-CD1 4.07Å; V1237-I1259 HydrophobicContact CB-CG2 4.16Å; V1237-I1259 HydrophobicContact CG1-CG2 4.07Å; V1237-I1259 HydrophobicContact CG2-CG2 4.27Å; A1246-I1259 HydrophobicContact CB-CG2 4.17Å; A1248-I1259 HydrophobicContact CB-CG1 4.03Å; I1259-A1270 HydrophobicContact CG2-CB 4.31Å; I1259-A1270 PolarHBondContact O-N 3.38Å; I1259-G1271 PolarHBondContact N-O 3.42Å; I1259-G1271 PolarHBondContact O-N 2.94Å; I1259-F1293 HydrophobicContact CD1-CD1 3.47Å; I1259-F1293 VanDerWaalsContact CD1-CD1 3.47Å; I1259-F1293 HydrophobicContact CD1-CE1 3.4Å; I1259-F1293 VanDerWaalsContact CD1-CE1 3.4Å; I1259-F1293 HydrophobicContact CG1-CE1 4.13Å; I1259-L1295 HydrophobicContact CD1-CD2 4.05Å |
| 1260 | N | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.3 | 172.1 | -58.8 | -73.2 | 0 | 0 | 0 | 111.3 | R1184 P1186 A1246 L1247 L1267 Q1268 F1269 | R1184-N1260 PolarHBondContact O-ND2 3.16Å; P1186-N1260 VanDerWaalsContact CD-OD1 3.24Å; P1186-N1260 WeakPolarHBondContact CD-OD1 3.36Å; P1186-N1260 HydrophobicContact CG-CB 4.47Å; P1186-N1260 WeakPolarHBondContact CG-OD1 3.38Å; A1246-N1260 CarbonylContact C-O 3.58Å; A1246-N1260 WeakPolarHBondContact CA-O 3.38Å; L1247-N1260 PolarHBondContact N-O 2.81Å; L1247-N1260 PolarHBondContact O-N 2.76Å; N1260-L1267 HydrophobicContact CB-CD1 3.59Å; N1260-L1267 HydrophobicContact CB-CD2 4.07Å; N1260-L1267 HydrophobicContact CB-CG 3.7Å; N1260-Q1268 CarbonylContact C-O 3.57Å; N1260-Q1268 WeakPolarHBondContact CA-O 3.26Å; N1260-F1269 WeakPolarHBondContact OD1-CA 3.4Å |
| 1261 | A | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1237 L1239 P1245 L1267 Q1268 A1270 | V1237-A1261 HydrophobicContact CG1-CB 3.8Å; L1239-A1261 HydrophobicContact CD2-CB 3.96Å; P1245-A1261 CarbonylContact O-C 3.53Å; P1245-A1261 WeakPolarHBondContact O-CA 3.39Å; A1261-L1267 CarbonylContact O-C 3.37Å; A1261-Q1268 PolarHBondContact N-O 2.68Å; A1261-Q1268 PolarHBondContact O-N 2.78Å; A1261-A1270 HydrophobicContact CB-CB 3.86Å |
| 1262 | L | 94.1 | Very high | 89.1 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 108.7 | 175.8 | -179.3 | 57.7 | 0 | 0 | 0 | 110.4 | M1147 F1150 P1171 L1178 P1245 L1267 | M1147-L1262 HydrophobicContact CE-CD2 3.88Å; M1147-L1262 HydrophobicContact SD-CD2 4.44Å; F1150-L1262 HydrophobicContact CD1-CD2 4.18Å; F1150-L1262 HydrophobicContact CE1-CD2 3.64Å; F1150-L1262 HydrophobicContact CZ-CD2 4.2Å; P1171-L1262 HydrophobicContact CG-CD2 3.97Å; P1171-L1262 HydrophobicContact CG-CG 3.92Å; L1178-L1262 HydrophobicContact CD2-CD1 3.8Å; L1178-L1262 HydrophobicContact CD2-CD2 4.48Å; P1245-L1262 HydrophobicContact CB-CB 4.31Å; P1245-L1262 PolarHBondContact O-N 3Å; L1262-L1267 HydrophobicContact CB-CD1 4.4Å |
| 1263 | T | 90.5 | Very high | 89.6 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 174.2 | -175.2 | 73.6 | 0 | 0 | 0 | 0 | 112 | Y1244 N1265 G1266 Q1268 | Y1244-T1263 HydrophobicContact CD1-CG2 4.23Å; Y1244-T1263 HydrophobicContact CE1-CG2 4.33Å; Y1244-T1263 HydrophobicContact CG-CG2 4.48Å; T1263-N1265 PolarHBondContact O-N 3.45Å; T1263-N1265 PolarHBondContact OG1-N 2.88Å; T1263-N1265 VanDerWaalsContact OG1-N 3.11Å; T1263-G1266 PolarHBondContact N-O 2.98Å; T1263-G1266 PolarHBondContact O-N 2.71Å; T1263-G1266 PolarHBondContact OG1-O 2.84Å; T1263-Q1268 HydrophobicContact CG2-CB 4.32Å; T1263-Q1268 HydrophobicContact CG2-CG 4.12Å |
| 1264 | D | 86.9 | Confident | 90.2 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -19.9 | 168.7 | -84.2 | -30.3 | 0 | 0 | 0 | 113.4 | R1169 K1172 | R1169-D1264 IonicContact CZ-OD2 2.7Å; R1169-D1264 IonicContact NE-OD2 3.97Å; R1169-D1264 IonicContact NH2-OD2 3.71Å; R1169-D1264 PolarHBondContact NH2-OD2 3.09Å; K1172-D1264 WeakPolarHBondContact CB-OD1 3.26Å; K1172-D1264 WeakPolarHBondContact CG-OD1 3.49Å; K1172-D1264 PolarHBondContact N-OD1 3.03Å; K1172-D1264 IonicContact NZ-OD2 3.59Å |
| 1265 | N | 84.3 | Confident | 90.5 | Very high | 139 Ų | 139 | 36.2 Ų | 36.2 | 74% | 0.743 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 13.3 | 176.5 | -59.2 | -51.4 | 0 | 0 | 0 | 113 | T1263 | T1263-N1265 PolarHBondContact O-N 3.45Å; T1263-N1265 PolarHBondContact OG1-N 2.88Å; T1263-N1265 VanDerWaalsContact OG1-N 3.11Å |
| 1266 | G | 85.3 | Confident | 90.8 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.6 | -162.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1263 | T1263-G1266 PolarHBondContact N-O 2.98Å; T1263-G1266 PolarHBondContact O-N 2.71Å; T1263-G1266 PolarHBondContact OG1-O 2.84Å |
| 1267 | L | 89.6 | Confident | 90.6 | Very high | 24 Ų | 24 | 28.3 Ų | 28.3 | 13% | 0.126 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.8 | -175 | -167.9 | 68.6 | 0 | 0 | 0 | 110.9 | L1178 I1180 P1186 N1260 A1261 L1262 | L1178-L1267 HydrophobicContact CD2-CB 4.27Å; I1180-L1267 HydrophobicContact CD1-CD2 4.41Å; I1180-L1267 HydrophobicContact CG1-CD2 3.91Å; P1186-L1267 HydrophobicContact CB-CB 4.03Å; P1186-L1267 HydrophobicContact CB-CD2 4.17Å; P1186-L1267 HydrophobicContact CB-CG 4.06Å; P1186-L1267 WeakPolarHBondContact CB-O 3.4Å; P1186-L1267 HydrophobicContact CG-CB 4.44Å; P1186-L1267 HydrophobicContact CG-CD2 4.46Å; P1186-L1267 HydrophobicContact CG-CG 4.1Å; P1186-L1267 WeakPolarHBondContact CG-O 3.39Å; N1260-L1267 HydrophobicContact CB-CD1 3.59Å; N1260-L1267 HydrophobicContact CB-CD2 4.07Å; N1260-L1267 HydrophobicContact CB-CG 3.7Å; A1261-L1267 CarbonylContact O-C 3.37Å; L1262-L1267 HydrophobicContact CB-CD1 4.4Å |
| 1268 | Q | 89.8 | Confident | 89.7 | Confident | 75 Ų | 75 | 34.4 Ų | 34.4 | 35% | 0.35 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 134.7 | -176.2 | -63.6 | -161.7 | -19.5 | 0 | 0 | 111.4 | N1260 A1261 T1263 A1270 | N1260-Q1268 CarbonylContact C-O 3.57Å; N1260-Q1268 WeakPolarHBondContact CA-O 3.26Å; A1261-Q1268 PolarHBondContact N-O 2.68Å; A1261-Q1268 PolarHBondContact O-N 2.78Å; T1263-Q1268 HydrophobicContact CG2-CB 4.32Å; T1263-Q1268 HydrophobicContact CG2-CG 4.12Å; Q1268-A1270 PolarHBondContact O-N 2.78Å |
| 1269 | F | 91.6 | Very high | 88.2 | Confident | 47 Ų | 47 | 38 Ų | 38 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 119 | 174.6 | 177.9 | -89.6 | 0 | 0 | 0 | 110.8 | Q1185 V1258 N1260 Y1272 K1296 | Q1185-F1269 HydrophobicContact CG-CD2 3.97Å; Q1185-F1269 HydrophobicContact CG-CE2 4.49Å; V1258-F1269 HydrophobicContact CG1-CD2 3.86Å; V1258-F1269 HydrophobicContact CG1-CE2 3.78Å; N1260-F1269 WeakPolarHBondContact OD1-CA 3.4Å; F1269-Y1272 HydrophobicContact CZ-CD1 4.16Å; F1269-K1296 WeakPolarHBondContact O-CD 3.16Å; F1269-K1296 PolarHBondContact O-NZ 3.23Å |
| 1270 | A | 91.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -24 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1237 L1239 I1259 A1261 Q1268 K1296 | V1237-A1270 HydrophobicContact CG1-CB 4.09Å; L1239-A1270 HydrophobicContact CD1-CB 4.4Å; L1239-A1270 HydrophobicContact CD2-CB 4.25Å; I1259-A1270 HydrophobicContact CG2-CB 4.31Å; I1259-A1270 PolarHBondContact O-N 3.38Å; A1261-A1270 HydrophobicContact CB-CB 3.86Å; Q1268-A1270 PolarHBondContact O-N 2.78Å; A1270-K1296 VanDerWaalsContact O-CB 3.25Å; A1270-K1296 WeakPolarHBondContact O-CB 3.17Å; A1270-K1296 PolarHBondContact O-N 3.4Å |
| 1271 | G | 90.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | -170.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1259 H1294 | I1259-G1271 PolarHBondContact N-O 3.42Å; I1259-G1271 PolarHBondContact O-N 2.94Å; G1271-H1294 WeakPolarHBondContact CA-O 3.4Å |
| 1272 | Y | 92.6 | Very high | 81.7 | Confident | 69 Ų | 69 | 53 Ų | 53 | 27% | 0.271 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155.3 | 173.9 | 63.3 | -81.7 | 0 | 0 | 0 | 111.1 | Q1256 L1257 F1269 E1274 F1293 H1294 | Q1256-Y1272 HydrophobicContact CG-CD2 4.12Å; L1257-Y1272 CarbonylContact O-C 3.57Å; L1257-Y1272 VanDerWaalsContact O-CA 3.29Å; L1257-Y1272 WeakPolarHBondContact O-CA 3.38Å; F1269-Y1272 HydrophobicContact CZ-CD1 4.16Å; Y1272-E1274 HydrophobicContact CD2-CG 4.08Å; Y1272-E1274 HydrophobicContact CE2-CG 4.16Å; Y1272-E1274 WeakPolarHBondContact CE2-OE1 3.32Å; Y1272-F1293 WeakPolarHBondContact O-CA 3.41Å; Y1272-H1294 HydrophobicContact CD1-CB 4.09Å; Y1272-H1294 AromaticContact CD2-ND1 3.99Å; Y1272-H1294 HydrophobicContact CE1-CB 3.65Å; Y1272-H1294 HydrophobicContact CE2-CB 4.13Å; Y1272-H1294 AromaticContact CE2-CG 3.98Å; Y1272-H1294 AromaticContact CE2-ND1 3.27Å; Y1272-H1294 VanDerWaalsContact CE2-ND1 3.27Å; Y1272-H1294 WeakPolarHBondContact CE2-ND1 3.49Å; Y1272-H1294 AromaticContact CZ-CG 3.75Å; Y1272-H1294 AromaticContact CZ-ND1 3.5Å; Y1272-H1294 PolarHBondContact N-O 3.39Å; Y1272-H1294 PolarHBondContact O-N 3.19Å |
| 1273 | G | 90.7 | Very high | 79.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1256 L1257 Q1292 | Q1256-G1273 CarbonylContact C-O 3.55Å; Q1256-G1273 WeakPolarHBondContact CA-O 3.3Å; L1257-G1273 PolarHBondContact N-O 2.87Å; L1257-G1273 PolarHBondContact O-N 3.48Å; G1273-Q1292 CarbonylContact C-O 3.56Å; G1273-Q1292 WeakPolarHBondContact CA-O 3.31Å |
| 1274 | E | 91.9 | Very high | 78.2 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 29% | 0.29 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.6 | 177.9 | -73.4 | 166.6 | 151.9 | 0 | 0 | 110 | Q1256 Y1272 M1291 Q1292 H1294 | Q1256-E1274 HydrophobicContact CG-CG 3.85Å; Q1256-E1274 PolarHBondContact NE2-OE1 2.96Å; Y1272-E1274 HydrophobicContact CD2-CG 4.08Å; Y1272-E1274 HydrophobicContact CE2-CG 4.16Å; Y1272-E1274 WeakPolarHBondContact CE2-OE1 3.32Å; E1274-M1291 CarbonylContact O-C 3.49Å; E1274-M1291 WeakPolarHBondContact O-CA 3.17Å; E1274-Q1292 PolarHBondContact N-O 2.86Å; E1274-Q1292 PolarHBondContact O-N 3.09Å; E1274-H1294 IonicContact OE2-CE1 3.26Å; E1274-H1294 PolarHBondContact OE2-CE1 3.03Å; E1274-H1294 VanDerWaalsContact OE2-CE1 3.24Å; E1274-H1294 IonicContact OE2-ND1 3.86Å; E1274-H1294 PolarHBondContact OE2-ND1 2.97Å |
| 1275 | A | 91.1 | Very high | 77.1 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | N1277 G1321 F1322 | A1275-N1277 PolarHBondContact O-N 3.37Å; A1275-G1321 VanDerWaalsContact CB-C 3.46Å; A1275-G1321 WeakPolarHBondContact CB-O 3.48Å; A1275-F1322 HydrophobicContact CB-CB 4.38Å; A1275-F1322 HydrophobicContact CB-CD1 3.71Å; A1275-F1322 HydrophobicContact CB-CD2 3.71Å; A1275-F1322 HydrophobicContact CB-CE1 3.79Å; A1275-F1322 HydrophobicContact CB-CE2 3.78Å; A1275-F1322 HydrophobicContact CB-CG 3.68Å; A1275-F1322 HydrophobicContact CB-CZ 3.84Å |
| 1276 | V | 87.7 | Confident | 76.7 | Confident | 34 Ų | 34 | 63 Ų | 63 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | trans | -86.3 | 89.5 | 175.7 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | P1286 I1290 Q1292 | V1276-P1286 WeakPolarHBondContact O-CG 3.46Å; V1276-I1290 HydrophobicContact CG2-CB 4.47Å; V1276-I1290 HydrophobicContact CG2-CG2 4.23Å; V1276-I1290 PolarHBondContact N-O 3.35Å; V1276-Q1292 HydrophobicContact CG2-CB 4.22Å | ||
| 1277 | N | 85.4 | Confident | 76.7 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | trans | -90 | -17.2 | -175.2 | -74 | -42.3 | 0 | 0 | 0 | 115.2 | A1275 P1286 G1321 F1322 E1323 | A1275-N1277 PolarHBondContact O-N 3.37Å; N1277-P1286 WeakPolarHBondContact O-CD 3.17Å; N1277-G1321 PolarHBondContact ND2-O 3.3Å; N1277-F1322 VanDerWaalsContact OD1-CA 3.25Å; N1277-F1322 WeakPolarHBondContact OD1-CA 3.44Å; N1277-E1323 HydrophobicContact CB-CG 4.22Å; N1277-E1323 PolarHBondContact OD1-N 2.89Å | ||
| 1278 | H | 73.7 | Confident | 76.6 | Confident | 128 Ų | 128 | 62.2 Ų | 62.2 | 59% | 0.593 | 30% | 0.303 | S | S | * | . | trans | -140 | 130.1 | -175.6 | -56.5 | -19.8 | 0 | 0 | 0 | 110.5 | E1323 | H1278-E1323 IonicContact CE1-OE1 3.74Å; H1278-E1323 PolarHBondContact CE1-OE1 2.97Å; H1278-E1323 IonicContact CE1-OE2 2.65Å; H1278-E1323 IonicContact NE2-OE1 2.72Å | ||
| 1279 | D | 62.3 | Low | 76.5 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | trans | -88.2 | 124.5 | 166.9 | -89.4 | -26.6 | 0 | 0 | 0 | 109.7 | N1281 N1282 | D1279-N1281 PolarHBondContact O-N 3.34Å; D1279-N1282 HydrophobicContact CB-CB 4.39Å; D1279-N1282 PolarHBondContact O-N 3.16Å | ||
| 1280 | E | 50.1 | Low | 76.4 | Confident | 129 Ų | 129 | 61.7 Ų | 61.7 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9 | -175.5 | -54.3 | -168.7 | 115.4 | 0 | 0 | 114.7 | R928 | R928-E1280 IonicContact CZ-OE1 3.24Å; R928-E1280 IonicContact CZ-OE2 3.41Å; R928-E1280 VanDerWaalsContact CZ-OE2 3.26Å; R928-E1280 IonicContact NH1-OE1 2.67Å; R928-E1280 PolarHBondContact NH1-OE1 2.8Å; R928-E1280 IonicContact NH1-OE2 2.6Å; R928-E1280 PolarHBondContact NH1-OE2 3.11Å; R928-E1280 IonicContact NH2-OE1 3.7Å; R928-E1280 IonicContact NH2-OE2 3.76Å; R928-E1280 PolarHBondContact NH2-OE2 3.27Å |
| 1281 | N | 48.3 | Very low | 76.3 | Confident | 107 Ų | 107 | 61.6 Ų | 61.6 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -11.2 | -172.6 | -62.9 | -54.8 | 0 | 0 | 0 | 114.5 | D1279 | D1279-N1281 PolarHBondContact O-N 3.34Š|
| 1282 | N | 47.1 | Very low | 76.3 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | trans | -125 | 154.8 | -176.5 | -164.3 | -5.1 | 0 | 0 | 0 | 110.8 | D1279 Q1284 | D1279-N1282 HydrophobicContact CB-CB 4.39Å; D1279-N1282 PolarHBondContact O-N 3.16Å; N1282-Q1284 PolarHBondContact ND2-OE1 3.16Å; N1282-Q1284 PolarHBondContact OD1-N 2.89Å; N1282-Q1284 VanDerWaalsContact OD1-N 3.17Å | ||
| 1283 | H | 53.4 | Low | 76.2 | Confident | 181 Ų | 181 | 61.2 Ų | 61.2 | 84% | 0.838 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -89.4 | -16 | 171 | -70.6 | -61.6 | 0 | 0 | 0 | 113 | ||
| 1284 | Q | 58.2 | Low | 76.1 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -72.2 | 148.5 | 168.2 | -61.5 | 175.1 | -68.3 | 0 | 0 | 110.8 | N1282 E1336 | N1282-Q1284 PolarHBondContact ND2-OE1 3.16Å; N1282-Q1284 PolarHBondContact OD1-N 2.89Å; N1282-Q1284 VanDerWaalsContact OD1-N 3.17Å; Q1284-E1336 PolarHBondContact NE2-OE2 2.7Å |
| 1285 | R | 64.7 | Low | 75.9 | Confident | 117 Ų | 117 | 61.1 Ų | 61.1 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -79 | 131.7 | 176 | -65.9 | 171.8 | 176.2 | -104 | -2.5 | 109.7 | E1323 W1329 | R1285-E1323 IonicContact CZ-OE2 2.7Å; R1285-E1323 IonicContact NH1-OE2 3.97Å; R1285-E1323 PolarHBondContact NH1-OE2 3.4Å; R1285-E1323 IonicContact NH2-OE2 2.77Å; R1285-W1329 PolarHBondContact O-NE1 2.86Å; R1285-W1329 VanDerWaalsContact O-NE1 3.14Å |
| 1286 | P | 75.4 | Confident | 75.3 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 146.6 | 176 | 25.8 | -34.5 | 0 | 0 | 0 | 111 | V1276 N1277 | V1276-P1286 WeakPolarHBondContact O-CG 3.46Å; N1277-P1286 WeakPolarHBondContact O-CD 3.17Å |
| 1287 | S | 84.5 | Confident | 74.5 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 130.3 | 172.4 | 55.6 | 0 | 0 | 0 | 0 | 111 | Q1289 | S1287-Q1289 PolarHBondContact O-N 3.45Å; S1287-Q1289 WeakPolarHBondContact OG-CG 3.41Å; S1287-Q1289 PolarHBondContact OG-NE2 2.96Å |
| 1288 | P | 87.2 | Confident | 73.7 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 69.1 | -177 | 32.2 | -36.3 | 0 | 0 | 0 | 111 | F1317 F1322 W1326 W1329 | P1288-F1317 HydrophobicContact CB-CD1 4.26Å; P1288-F1317 VanDerWaalsContact O-CE1 3.24Å; P1288-F1317 WeakPolarHBondContact O-CE1 3.32Å; P1288-F1322 HydrophobicContact CB-CB 4.24Å; P1288-F1322 HydrophobicContact CB-CD1 3.41Å; P1288-F1322 VanDerWaalsContact CB-CD1 3.41Å; P1288-F1322 HydrophobicContact CB-CE1 3.94Å; P1288-F1322 HydrophobicContact CB-CG 3.93Å; P1288-W1326 HydrophobicContact CG-CB 4.4Å; P1288-W1326 HydrophobicContact CG-CE3 4.25Å; P1288-W1329 VanDerWaalsContact CD-CB 3.47Å; P1288-W1329 VanDerWaalsContact CD-CG 3.41Å; P1288-W1329 HydrophobicContact CG-CB 3.86Å; P1288-W1329 HydrophobicContact CG-CG 4.35Å |
| 1289 | Q | 89.2 | Confident | 73.5 | Confident | 46 Ų | 46 | 75.1 Ų | 75.1 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -5.9 | -177.8 | 70.2 | -178.6 | -30 | 0 | 0 | 113.6 | S1287 A1305 I1306 P1309 W1326 | S1287-Q1289 PolarHBondContact O-N 3.45Å; S1287-Q1289 WeakPolarHBondContact OG-CG 3.41Å; S1287-Q1289 PolarHBondContact OG-NE2 2.96Å; Q1289-A1305 CarbonylContact O-C 3.2Å; Q1289-A1305 WeakPolarHBondContact O-CA 3.42Å; Q1289-I1306 PolarHBondContact O-N 2.96Å; Q1289-P1309 HydrophobicContact CB-CB 4.45Å; Q1289-P1309 HydrophobicContact CB-CG 4.01Å; Q1289-W1326 HydrophobicContact CB-CZ3 4.03Å; Q1289-W1326 HydrophobicContact CG-CZ3 4.48Å |
| 1290 | I | 87.9 | Confident | 74 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 33% | 0.328 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.2 | -176.9 | -50.6 | -173.7 | 0 | 0 | 0 | 110.2 | V1276 F1303 A1304 F1322 | V1276-I1290 HydrophobicContact CG2-CB 4.47Å; V1276-I1290 HydrophobicContact CG2-CG2 4.23Å; V1276-I1290 PolarHBondContact N-O 3.35Å; I1290-F1303 HydrophobicContact CG2-CB 4.14Å; I1290-F1303 HydrophobicContact CG2-CD1 3.69Å; I1290-F1303 HydrophobicContact CG2-CG 4.32Å; I1290-A1304 WeakPolarHBondContact CA-O 3.4Å; I1290-F1322 WeakPolarHBondContact O-CE1 3.33Å; I1290-F1322 VanDerWaalsContact O-CZ 3.31Å; I1290-F1322 WeakPolarHBondContact O-CZ 3.44Å |
| 1291 | M | 91 | Very high | 75.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.2 | 167.7 | -67.9 | -169.4 | 81.8 | 0 | 0 | 110.9 | I1211 L1257 E1274 F1293 F1303 A1304 L1320 F1322 | I1211-M1291 HydrophobicContact CD1-SD 3.76Å; L1257-M1291 HydrophobicContact CB-CE 4.27Å; E1274-M1291 CarbonylContact O-C 3.49Å; E1274-M1291 WeakPolarHBondContact O-CA 3.17Å; M1291-F1293 HydrophobicContact CB-CD2 4.1Å; M1291-F1293 HydrophobicContact CB-CE2 3.57Å; M1291-F1293 HydrophobicContact CB-CZ 4.34Å; M1291-F1293 HydrophobicContact CG-CE2 4.5Å; M1291-F1293 HydrophobicContact SD-CE2 4.25Å; M1291-F1293 HydrophobicContact SD-CZ 4.18Å; M1291-F1303 WeakPolarHBondContact O-CA 3.47Å; M1291-A1304 PolarHBondContact N-O 3.36Å; M1291-A1304 PolarHBondContact O-N 3.24Å; M1291-L1320 HydrophobicContact CE-CB 3.97Å; M1291-L1320 HydrophobicContact CE-CD2 4.15Å; M1291-L1320 WeakPolarHBondContact CE-O 3.19Å; M1291-L1320 HydrophobicContact SD-CB 4.01Å; M1291-L1320 HydrophobicContact SD-CD1 3.87Å; M1291-L1320 HydrophobicContact SD-CD2 3.93Å; M1291-L1320 HydrophobicContact SD-CG 4.15Å; M1291-F1322 HydrophobicContact CG-CE2 3.73Å; M1291-F1322 HydrophobicContact CG-CZ 3.6Å; M1291-F1322 HydrophobicContact SD-CE2 4.2Å |
| 1292 | Q | 90.7 | Very high | 77.2 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116.7 | 176 | -170.9 | 175.6 | -50.7 | 0 | 0 | 109.8 | G1273 E1274 V1276 H1294 P1301 L1302 F1303 | G1273-Q1292 CarbonylContact C-O 3.56Å; G1273-Q1292 WeakPolarHBondContact CA-O 3.31Å; E1274-Q1292 PolarHBondContact N-O 2.86Å; E1274-Q1292 PolarHBondContact O-N 3.09Å; V1276-Q1292 HydrophobicContact CG2-CB 4.22Å; Q1292-H1294 PolarHBondContact NE2-CE1 3.5Å; Q1292-H1294 VanDerWaalsContact NE2-CE1 3.34Å; Q1292-H1294 PolarHBondContact NE2-NE2 3.48Å; Q1292-P1301 HydrophobicContact CG-CB 3.52Å; Q1292-P1301 HydrophobicContact CG-CG 4.28Å; Q1292-L1302 CarbonylContact C-O 3.59Å; Q1292-F1303 HydrophobicContact CB-CD1 4.4Å; Q1292-F1303 HydrophobicContact CB-CE1 4.13Å; Q1292-F1303 HydrophobicContact CG-CE1 4.02Å; Q1292-F1303 HydrophobicContact CG-CZ 4.47Å |
| 1293 | F | 89.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.9 | -176.9 | -80 | -84.5 | 0 | 0 | 0 | 112.5 | I1211 L1223 L1257 I1259 Y1272 M1291 L1302 A1304 | I1211-F1293 HydrophobicContact CD1-CZ 4.42Å; I1211-F1293 HydrophobicContact CG2-CE2 3.92Å; I1211-F1293 HydrophobicContact CG2-CZ 4.23Å; L1223-F1293 HydrophobicContact CD2-CD1 4.1Å; L1223-F1293 HydrophobicContact CD2-CD2 4.1Å; L1223-F1293 HydrophobicContact CD2-CE1 3.87Å; L1223-F1293 HydrophobicContact CD2-CE2 3.85Å; L1223-F1293 HydrophobicContact CD2-CG 4.21Å; L1223-F1293 HydrophobicContact CD2-CZ 3.73Å; L1257-F1293 HydrophobicContact CD2-CE1 4.11Å; L1257-F1293 HydrophobicContact CD2-CZ 3.94Å; I1259-F1293 HydrophobicContact CD1-CD1 3.47Å; I1259-F1293 VanDerWaalsContact CD1-CD1 3.47Å; I1259-F1293 HydrophobicContact CD1-CE1 3.4Å; I1259-F1293 VanDerWaalsContact CD1-CE1 3.4Å; I1259-F1293 HydrophobicContact CG1-CE1 4.13Å; Y1272-F1293 WeakPolarHBondContact O-CA 3.41Å; M1291-F1293 HydrophobicContact CB-CD2 4.1Å; M1291-F1293 HydrophobicContact CB-CE2 3.57Å; M1291-F1293 HydrophobicContact CB-CZ 4.34Å; M1291-F1293 HydrophobicContact CG-CE2 4.5Å; M1291-F1293 HydrophobicContact SD-CE2 4.25Å; M1291-F1293 HydrophobicContact SD-CZ 4.18Å; F1293-L1302 HydrophobicContact CB-CB 4.3Å; F1293-L1302 PolarHBondContact N-O 3.46Å; F1293-L1302 PolarHBondContact O-N 2.8Å; F1293-A1304 HydrophobicContact CD2-CB 3.52Å; F1293-A1304 HydrophobicContact CE2-CB 3.51Å |
| 1294 | H | 89.2 | Confident | 80.7 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 22% | 0.222 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 87.5 | 174.8 | -58.6 | 105.9 | 0 | 0 | 0 | 108.7 | G1271 Y1272 E1274 Q1292 | G1271-H1294 WeakPolarHBondContact CA-O 3.4Å; Y1272-H1294 HydrophobicContact CD1-CB 4.09Å; Y1272-H1294 AromaticContact CD2-ND1 3.99Å; Y1272-H1294 HydrophobicContact CE1-CB 3.65Å; Y1272-H1294 HydrophobicContact CE2-CB 4.13Å; Y1272-H1294 AromaticContact CE2-CG 3.98Å; Y1272-H1294 AromaticContact CE2-ND1 3.27Å; Y1272-H1294 VanDerWaalsContact CE2-ND1 3.27Å; Y1272-H1294 WeakPolarHBondContact CE2-ND1 3.49Å; Y1272-H1294 AromaticContact CZ-CG 3.75Å; Y1272-H1294 AromaticContact CZ-ND1 3.5Å; Y1272-H1294 PolarHBondContact N-O 3.39Å; Y1272-H1294 PolarHBondContact O-N 3.19Å; E1274-H1294 IonicContact OE2-CE1 3.26Å; E1274-H1294 PolarHBondContact OE2-CE1 3.03Å; E1274-H1294 VanDerWaalsContact OE2-CE1 3.24Å; E1274-H1294 IonicContact OE2-ND1 3.86Å; E1274-H1294 PolarHBondContact OE2-ND1 2.97Å; Q1292-H1294 PolarHBondContact NE2-CE1 3.5Å; Q1292-H1294 VanDerWaalsContact NE2-CE1 3.34Å; Q1292-H1294 PolarHBondContact NE2-NE2 3.48Å |
| 1295 | L | 86.4 | Confident | 82.2 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 143.3 | 176.7 | -64.1 | -169.8 | 0 | 0 | 0 | 111.7 | V1237 I1259 Q1297 Q1298 L1302 | V1237-L1295 HydrophobicContact CG2-CD1 3.94Å; V1237-L1295 HydrophobicContact CG2-CD2 3.91Å; I1259-L1295 HydrophobicContact CD1-CD2 4.05Å; L1295-Q1297 PolarHBondContact O-N 3.48Å; L1295-Q1298 HydrophobicContact CB-CB 4.5Å; L1295-Q1298 PolarHBondContact O-N 2.9Å; L1295-Q1298 VanDerWaalsContact O-N 3.08Å; L1295-L1302 HydrophobicContact CD1-CD1 3.72Å; L1295-L1302 HydrophobicContact CG-CD1 4.25Å |
| 1296 | K | 80 | Confident | 83.4 | Confident | 119 Ų | 119 | 51 Ų | 51 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 130.2 | -178 | -165.6 | 173.4 | -171.5 | 172.2 | 0 | 110.5 | L1239 F1269 A1270 | L1239-K1296 HydrophobicContact CD1-CB 4.11Å; F1269-K1296 WeakPolarHBondContact O-CD 3.16Å; F1269-K1296 PolarHBondContact O-NZ 3.23Å; A1270-K1296 VanDerWaalsContact O-CB 3.25Å; A1270-K1296 WeakPolarHBondContact O-CB 3.17Å; A1270-K1296 PolarHBondContact O-N 3.4Å |
| 1297 | Q | 70.2 | Confident | 84 | Confident | 147 Ų | 147 | 51.3 Ų | 51.3 | 69% | 0.687 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 14 | -169.9 | -47.7 | -171.9 | -13.5 | 0 | 0 | 115.9 | N1240 L1295 | N1240-Q1297 VanDerWaalsContact OD1-CD 3.23Å; N1240-Q1297 PolarHBondContact OD1-OE1 3.42Å; N1240-Q1297 VanDerWaalsContact OD1-OE1 3.11Å; L1295-Q1297 PolarHBondContact O-N 3.48Å |
| 1298 | Q | 68.8 | Low | 84.1 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | trans | -121.6 | 107.7 | 172.7 | -161.2 | 169.2 | -2.7 | 0 | 0 | 110.6 | L1295 S1300 L1302 | L1295-Q1298 HydrophobicContact CB-CB 4.5Å; L1295-Q1298 PolarHBondContact O-N 2.9Å; L1295-Q1298 VanDerWaalsContact O-N 3.08Å; Q1298-S1300 VanDerWaalsContact C-N 3.3Å; Q1298-S1300 PolarHBondContact O-N 3.36Å; Q1298-L1302 VanDerWaalsContact OE1-CD1 3.31Å | ||
| 1299 | D | 69.2 | Low | 84.1 | Confident | 171 Ų | 171 | 53.8 Ų | 53.8 | 91% | 0.914 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -71.4 | -24.6 | -173.5 | -60.2 | -37.2 | 0 | 0 | 0 | 113.3 | ||
| 1300 | S | 73.4 | Confident | 84.1 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -96.9 | 132.5 | 173.7 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | Q1298 | Q1298-S1300 VanDerWaalsContact C-N 3.3Å; Q1298-S1300 PolarHBondContact O-N 3.36Å |
| 1301 | P | 81.2 | Confident | 84.3 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 141 | 175.8 | 26 | -33.5 | 0 | 0 | 0 | 111.6 | Q1292 | Q1292-P1301 HydrophobicContact CG-CB 3.52Å; Q1292-P1301 HydrophobicContact CG-CG 4.28Å |
| 1302 | L | 84.7 | Confident | 84.3 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 144.3 | 168.5 | -76.4 | 176.8 | 0 | 0 | 0 | 110.3 | N1222 Q1292 F1293 L1295 Q1298 | N1222-L1302 HydrophobicContact CB-CD1 3.52Å; N1222-L1302 WeakPolarHBondContact ND2-CD2 3.14Å; Q1292-L1302 CarbonylContact C-O 3.59Å; F1293-L1302 HydrophobicContact CB-CB 4.3Å; F1293-L1302 PolarHBondContact N-O 3.46Å; F1293-L1302 PolarHBondContact O-N 2.8Å; L1295-L1302 HydrophobicContact CD1-CD1 3.72Å; L1295-L1302 HydrophobicContact CG-CD1 4.25Å; Q1298-L1302 VanDerWaalsContact OE1-CD1 3.31Å |
| 1303 | F | 86.6 | Confident | 84.3 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 48% | 0.478 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.1 | 165.8 | -65 | -77.4 | 0 | 0 | 0 | 109.9 | S1213 I1290 M1291 Q1292 | S1213-F1303 WeakPolarHBondContact CB-O 3.3Å; S1213-F1303 PolarHBondContact OG-O 3.08Å; I1290-F1303 HydrophobicContact CG2-CB 4.14Å; I1290-F1303 HydrophobicContact CG2-CD1 3.69Å; I1290-F1303 HydrophobicContact CG2-CG 4.32Å; M1291-F1303 WeakPolarHBondContact O-CA 3.47Å; Q1292-F1303 HydrophobicContact CB-CD1 4.4Å; Q1292-F1303 HydrophobicContact CB-CE1 4.13Å; Q1292-F1303 HydrophobicContact CG-CE1 4.02Å; Q1292-F1303 HydrophobicContact CG-CZ 4.47Å |
| 1304 | A | 86.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I1211 A1212 I1290 M1291 F1293 | I1211-A1304 HydrophobicContact CG2-CB 3.57Å; A1212-A1304 CarbonylContact O-C 3.15Å; A1212-A1304 WeakPolarHBondContact O-CA 3.46Å; I1290-A1304 WeakPolarHBondContact CA-O 3.4Å; M1291-A1304 PolarHBondContact N-O 3.36Å; M1291-A1304 PolarHBondContact O-N 3.24Å; F1293-A1304 HydrophobicContact CD2-CB 3.52Å; F1293-A1304 HydrophobicContact CE2-CB 3.51Å |
| 1305 | A | 88.8 | Confident | 84.3 | Confident | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | F770 I1211 A1212 Q1289 | F770-A1305 HydrophobicContact CD1-CB 3.99Å; F770-A1305 HydrophobicContact CE1-CB 3.52Å; F770-A1305 HydrophobicContact CZ-CB 4.12Å; I1211-A1305 CarbonylContact C-O 3.55Å; I1211-A1305 WeakPolarHBondContact CA-O 3.22Å; A1212-A1305 PolarHBondContact N-O 2.87Å; A1212-A1305 PolarHBondContact O-N 2.61Å; Q1289-A1305 CarbonylContact O-C 3.2Å; Q1289-A1305 WeakPolarHBondContact O-CA 3.42Å |
| 1306 | I | 90.9 | Very high | 84.5 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 131.1 | 161.9 | -65 | -178.6 | 0 | 0 | 0 | 107.7 | A1210 Q1289 K1308 P1309 Q1312 F1317 L1320 F1322 | A1210-I1306 CarbonylContact O-C 3.6Å; A1210-I1306 WeakPolarHBondContact O-CA 3.36Å; Q1289-I1306 PolarHBondContact O-N 2.96Å; I1306-K1308 PolarHBondContact O-N 2.87Å; I1306-P1309 HydrophobicContact CB-CB 4.44Å; I1306-P1309 HydrophobicContact CG2-CB 3.98Å; I1306-Q1312 HydrophobicContact CG2-CG 3.68Å; I1306-F1317 HydrophobicContact CD1-CD1 3.96Å; I1306-F1317 HydrophobicContact CD1-CE1 3.66Å; I1306-F1317 HydrophobicContact CG2-CE1 4.4Å; I1306-L1320 HydrophobicContact CD1-CD1 4.22Å; I1306-F1322 HydrophobicContact CD1-CD2 4.47Å; I1306-F1322 HydrophobicContact CD1-CE2 3.66Å; I1306-F1322 HydrophobicContact CD1-CZ 3.87Å |
| 1307 | H | 87.4 | Confident | 85.1 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 13% | 0.13 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -77.8 | 111.2 | 179.9 | 169.4 | -82.6 | 0 | 0 | 0 | 109.7 | P1209 A1210 Q1312 | P1209-H1307 HydrophobicContact CB-CB 4.17Å; A1210-H1307 PolarHBondContact O-N 3.29Å; H1307-Q1312 PolarHBondContact O-NE2 2.93Å |
| 1308 | K | 87.3 | Confident | 86.1 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | trans | 48.9 | 71.5 | -176.4 | -67.9 | -169.1 | 178.2 | -175 | 0 | 112 | I1306 E1310 E1311 Q1312 | I1306-K1308 PolarHBondContact O-N 2.87Å; K1308-E1310 VanDerWaalsContact CA-OE2 3.28Å; K1308-E1310 WeakPolarHBondContact CA-OE2 3.34Å; K1308-E1310 VanDerWaalsContact CB-OE1 3.31Å; K1308-E1310 WeakPolarHBondContact CB-OE1 3.48Å; K1308-E1310 WeakPolarHBondContact CG-OE1 3.42Å; K1308-E1310 PolarHBondContact O-N 3.08Å; K1308-E1311 HydrophobicContact CB-CB 4.16Å; K1308-E1311 HydrophobicContact CD-CB 4.37Å; K1308-E1311 HydrophobicContact CD-CG 4.2Å; K1308-E1311 WeakPolarHBondContact CD-OE1 3.48Å; K1308-E1311 WeakPolarHBondContact CD-OE2 3.45Å; K1308-E1311 WeakPolarHBondContact CE-OE2 3.41Å; K1308-E1311 IonicContact NZ-OE1 2.78Å; K1308-E1311 PolarHBondContact NZ-OE1 2.73Å; K1308-E1311 IonicContact NZ-OE2 2.83Å; K1308-E1311 PolarHBondContact NZ-OE2 3.39Å; K1308-E1311 PolarHBondContact O-N 3.25Å; K1308-Q1312 PolarHBondContact O-N 3.05Å | ||
| 1309 | P | 88 | Confident | 87.1 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -55.4 | -25.9 | -179.8 | 27.2 | -37.4 | 0 | 0 | 0 | 113.1 | Q1289 I1306 E1311 Q1312 F1317 W1326 | Q1289-P1309 HydrophobicContact CB-CB 4.45Å; Q1289-P1309 HydrophobicContact CB-CG 4.01Å; I1306-P1309 HydrophobicContact CB-CB 4.44Å; I1306-P1309 HydrophobicContact CG2-CB 3.98Å; P1309-E1311 VanDerWaalsContact C-N 3.26Å; P1309-E1311 PolarHBondContact O-N 2.97Å; P1309-Q1312 PolarHBondContact O-N 3.36Å; P1309-F1317 HydrophobicContact CB-CE1 4.01Å; P1309-F1317 HydrophobicContact CB-CZ 3.82Å; P1309-F1317 WeakPolarHBondContact O-CZ 3.37Å; P1309-W1326 HydrophobicContact CB-CB 4.12Å; P1309-W1326 HydrophobicContact CB-CD2 3.61Å; P1309-W1326 HydrophobicContact CB-CE3 3.49Å; P1309-W1326 VanDerWaalsContact CB-CE3 3.49Å; P1309-W1326 HydrophobicContact CB-CG 3.89Å; P1309-W1326 HydrophobicContact CB-CZ3 4.09Å; P1309-W1326 HydrophobicContact CG-CD2 3.67Å; P1309-W1326 HydrophobicContact CG-CE3 3.43Å; P1309-W1326 VanDerWaalsContact CG-CE3 3.43Å; P1309-W1326 HydrophobicContact CG-CG 4.41Å; P1309-W1326 HydrophobicContact CG-CH2 3.79Å; P1309-W1326 HydrophobicContact CG-CZ2 4.03Å; P1309-W1326 HydrophobicContact CG-CZ3 3.49Å; P1309-W1326 VanDerWaalsContact CG-CZ3 3.49Å |
| 1310 | E | 89.3 | Confident | 88.1 | Confident | 109 Ų | 109 | 46.1 Ų | 46.1 | 51% | 0.509 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -63.6 | -21.2 | 172.1 | 70.9 | -77 | -177.8 | 0 | 0 | 115.5 | K1308 W1326 | K1308-E1310 VanDerWaalsContact CA-OE2 3.28Å; K1308-E1310 WeakPolarHBondContact CA-OE2 3.34Å; K1308-E1310 VanDerWaalsContact CB-OE1 3.31Å; K1308-E1310 WeakPolarHBondContact CB-OE1 3.48Å; K1308-E1310 WeakPolarHBondContact CG-OE1 3.42Å; K1308-E1310 PolarHBondContact O-N 3.08Å; E1310-W1326 VanDerWaalsContact CA-CD1 3.49Å |
| 1311 | E | 90.3 | Very high | 88.9 | Confident | 121 Ų | 121 | 43 Ų | 43 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -106.9 | 2 | 177.2 | -78.9 | 174 | -155.9 | 0 | 0 | 113 | K1308 P1309 | K1308-E1311 HydrophobicContact CB-CB 4.16Å; K1308-E1311 HydrophobicContact CD-CB 4.37Å; K1308-E1311 HydrophobicContact CD-CG 4.2Å; K1308-E1311 WeakPolarHBondContact CD-OE1 3.48Å; K1308-E1311 WeakPolarHBondContact CD-OE2 3.45Å; K1308-E1311 WeakPolarHBondContact CE-OE2 3.41Å; K1308-E1311 IonicContact NZ-OE1 2.78Å; K1308-E1311 PolarHBondContact NZ-OE1 2.73Å; K1308-E1311 IonicContact NZ-OE2 2.83Å; K1308-E1311 PolarHBondContact NZ-OE2 3.39Å; K1308-E1311 PolarHBondContact O-N 3.25Å; P1309-E1311 VanDerWaalsContact C-N 3.26Å; P1309-E1311 PolarHBondContact O-N 2.97Å |
| 1312 | Q | 90.9 | Very high | 89.3 | Confident | 16 Ų | 16 | 41 Ų | 41 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -88.9 | 144.3 | 178.5 | -62.4 | -60.1 | -35.9 | 0 | 0 | 111.9 | P1209 H1227 I1306 H1307 K1308 P1309 L1316 F1317 | P1209-Q1312 PolarHBondContact O-NE2 2.76Å; H1227-Q1312 PolarHBondContact NE2-OE1 2.86Å; I1306-Q1312 HydrophobicContact CG2-CG 3.68Å; H1307-Q1312 PolarHBondContact O-NE2 2.93Å; K1308-Q1312 PolarHBondContact O-N 3.05Å; P1309-Q1312 PolarHBondContact O-N 3.36Å; Q1312-L1316 HydrophobicContact CB-CD2 4.08Å; Q1312-L1316 HydrophobicContact CG-CD2 4.09Å; Q1312-F1317 HydrophobicContact CB-CE2 3.72Å; Q1312-F1317 HydrophobicContact CB-CZ 3.76Å; Q1312-F1317 HydrophobicContact CG-CZ 4.47Å |
| 1313 | P | 90.7 | Very high | 89.5 | Confident | 68 Ų | 68 | 44.9 Ų | 44.9 | 44% | 0.442 | 22% | 0.217 | S | C | . | . | trans | -70.7 | 140.1 | 178.1 | 28.9 | -34.1 | 0 | 0 | 0 | 111.7 | K1315 L1316 | P1313-K1315 PolarHBondContact O-N 2.78Å; P1313-L1316 HydrophobicContact CG-CB 4.2Å; P1313-L1316 VanDerWaalsContact O-CB 3.31Å; P1313-L1316 WeakPolarHBondContact O-CB 3.35Å; P1313-L1316 PolarHBondContact O-N 3.07Å | ||
| 1314 | D | 90 | Very high | 89.5 | Confident | 39 Ų | 39 | 41.7 Ų | 41.7 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -46.4 | -36.8 | 176.9 | -80.5 | -29.9 | 0 | 0 | 0 | 113.9 | L1316 F1317 R1318 T1325 | D1314-L1316 VanDerWaalsContact C-N 3.26Å; D1314-L1316 PolarHBondContact O-N 3.01Å; D1314-F1317 PolarHBondContact O-N 2.85Å; D1314-R1318 PolarHBondContact O-N 2.96Å; D1314-T1325 HydrophobicContact CB-CG2 3.78Å; D1314-T1325 WeakPolarHBondContact OD1-CB 3.25Å; D1314-T1325 WeakPolarHBondContact OD1-CG2 3.36Å; D1314-T1325 PolarHBondContact OD1-OG1 2.92Å |
| 1315 | K | 90 | Very high | 89.7 | Confident | 124 Ų | 124 | 41.6 Ų | 41.6 | 54% | 0.539 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.1 | -34.1 | 177.5 | -163 | -171 | -179.2 | -153.6 | 0 | 113 | D1231 P1313 S1319 | D1231-K1315 WeakPolarHBondContact OD1-CE 3.3Å; D1231-K1315 IonicContact OD1-NZ 3.15Å; D1231-K1315 PolarHBondContact OD1-NZ 2.72Å; D1231-K1315 WeakPolarHBondContact OD2-CE 3.18Å; D1231-K1315 IonicContact OD2-NZ 2.82Å; D1231-K1315 PolarHBondContact OD2-NZ 3.19Å; P1313-K1315 PolarHBondContact O-N 2.78Å; K1315-S1319 WeakPolarHBondContact O-CB 3.47Å; K1315-S1319 PolarHBondContact O-N 2.63Å; K1315-S1319 PolarHBondContact O-OG 2.99Å |
| 1316 | L | 91.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 178.6 | -178.4 | 69.3 | 0 | 0 | 0 | 111 | A1210 L1233 Q1312 P1313 D1314 R1318 S1319 L1320 | A1210-L1316 HydrophobicContact CB-CD2 4.36Å; L1233-L1316 HydrophobicContact CD1-CD1 4.4Å; L1233-L1316 HydrophobicContact CD2-CD1 4.16Å; Q1312-L1316 HydrophobicContact CB-CD2 4.08Å; Q1312-L1316 HydrophobicContact CG-CD2 4.09Å; P1313-L1316 HydrophobicContact CG-CB 4.2Å; P1313-L1316 VanDerWaalsContact O-CB 3.31Å; P1313-L1316 WeakPolarHBondContact O-CB 3.35Å; P1313-L1316 PolarHBondContact O-N 3.07Å; D1314-L1316 VanDerWaalsContact C-N 3.26Å; D1314-L1316 PolarHBondContact O-N 3.01Å; L1316-R1318 VanDerWaalsContact C-N 3.29Å; L1316-R1318 PolarHBondContact O-N 2.86Å; L1316-S1319 PolarHBondContact O-N 3.14Å; L1316-S1319 VanDerWaalsContact O-N 3.14Å; L1316-S1319 PolarHBondContact O-OG 2.91Å; L1316-S1319 VanDerWaalsContact O-OG 3.11Å; L1316-L1320 HydrophobicContact CD1-CD1 3.9Å; L1316-L1320 HydrophobicContact CD1-CD2 4.47Å; L1316-L1320 HydrophobicContact CD1-CG 4Å; L1316-L1320 HydrophobicContact CD2-CD1 4.19Å; L1316-L1320 HydrophobicContact CG-CD1 3.68Å; L1316-L1320 HydrophobicContact CG-CG 4.14Å; L1316-L1320 WeakPolarHBondContact O-CB 3.38Å; L1316-L1320 VanDerWaalsContact O-CG 3.24Å; L1316-L1320 WeakPolarHBondContact O-CG 3.35Å; L1316-L1320 PolarHBondContact O-N 3.48Å |
| 1317 | F | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 179.2 | -63.1 | -79.8 | 0 | 0 | 0 | 111.3 | P1288 I1306 P1309 Q1312 D1314 S1319 L1320 G1321 F1322 T1325 W1326 | P1288-F1317 HydrophobicContact CB-CD1 4.26Å; P1288-F1317 VanDerWaalsContact O-CE1 3.24Å; P1288-F1317 WeakPolarHBondContact O-CE1 3.32Å; I1306-F1317 HydrophobicContact CD1-CD1 3.96Å; I1306-F1317 HydrophobicContact CD1-CE1 3.66Å; I1306-F1317 HydrophobicContact CG2-CE1 4.4Å; P1309-F1317 HydrophobicContact CB-CE1 4.01Å; P1309-F1317 HydrophobicContact CB-CZ 3.82Å; P1309-F1317 WeakPolarHBondContact O-CZ 3.37Å; Q1312-F1317 HydrophobicContact CB-CE2 3.72Å; Q1312-F1317 HydrophobicContact CB-CZ 3.76Å; Q1312-F1317 HydrophobicContact CG-CZ 4.47Å; D1314-F1317 PolarHBondContact O-N 2.85Å; F1317-S1319 PolarHBondContact O-N 2.88Å; F1317-L1320 PolarHBondContact O-N 2.87Å; F1317-G1321 PolarHBondContact O-N 3.1Å; F1317-F1322 HydrophobicContact CB-CB 4.24Å; F1317-F1322 HydrophobicContact CD1-CD2 4.31Å; F1317-F1322 PolarHBondContact O-N 2.9Å; F1317-T1325 HydrophobicContact CB-CG2 4.19Å; F1317-W1326 HydrophobicContact CE1-CB 4Å; F1317-W1326 HydrophobicContact CE2-CB 3.89Å; F1317-W1326 HydrophobicContact CZ-CB 3.52Å |
| 1318 | R | 90.2 | Very high | 89.7 | Confident | 86 Ų | 86 | 46.4 Ų | 46.4 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.6 | -20.4 | 178.6 | -56.4 | -155.4 | -163.8 | 108.1 | -0 | 114.2 | Q441 N1254 D1314 L1316 T1325 E1328 | Q441-R1318 VanDerWaalsContact OE1-CZ 3.28Å; N1254-R1318 VanDerWaalsContact CB-O 3.26Å; N1254-R1318 WeakPolarHBondContact CB-O 3.3Å; N1254-R1318 PolarHBondContact ND2-O 2.86Å; D1314-R1318 PolarHBondContact O-N 2.96Å; L1316-R1318 VanDerWaalsContact C-N 3.29Å; L1316-R1318 PolarHBondContact O-N 2.86Å; R1318-T1325 HydrophobicContact CG-CG2 4.07Å; R1318-E1328 IonicContact CZ-OE1 3.69Å; R1318-E1328 IonicContact NE-OE1 2.7Å; R1318-E1328 IonicContact NH2-OE1 3.36Å; R1318-E1328 PolarHBondContact NH2-OE1 3.15Å; R1318-E1328 IonicContact NH2-OE2 3.14Å |
| 1319 | S | 89.9 | Confident | 89.7 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -87 | -23.8 | 171.9 | 72.5 | 0 | 0 | 0 | 0 | 113.4 | P1250 K1315 L1316 F1317 G1321 | P1250-S1319 WeakPolarHBondContact CB-O 3.34Å; K1315-S1319 WeakPolarHBondContact O-CB 3.47Å; K1315-S1319 PolarHBondContact O-N 2.63Å; K1315-S1319 PolarHBondContact O-OG 2.99Å; L1316-S1319 PolarHBondContact O-N 3.14Å; L1316-S1319 VanDerWaalsContact O-N 3.14Å; L1316-S1319 PolarHBondContact O-OG 2.91Å; L1316-S1319 VanDerWaalsContact O-OG 3.11Å; F1317-S1319 PolarHBondContact O-N 2.88Å; S1319-G1321 VanDerWaalsContact C-N 3.32Å |
| 1320 | L | 91.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.7 | 171.5 | -66 | 177.7 | 0 | 0 | 0 | 113.8 | I1211 L1233 N1254 L1257 M1291 I1306 L1316 F1317 F1322 | I1211-L1320 HydrophobicContact CD1-CD1 3.81Å; I1211-L1320 HydrophobicContact CD1-CD2 3.81Å; I1211-L1320 HydrophobicContact CD1-CG 4.49Å; I1211-L1320 HydrophobicContact CG1-CD1 4.35Å; L1233-L1320 HydrophobicContact CD1-CD2 4.3Å; N1254-L1320 CarbonylContact O-C 3.55Å; L1257-L1320 HydrophobicContact CB-CD2 4.11Å; L1257-L1320 HydrophobicContact CD1-CD2 3.97Å; L1257-L1320 HydrophobicContact CD2-CD2 3.85Å; L1257-L1320 HydrophobicContact CG-CD2 4.19Å; M1291-L1320 HydrophobicContact CE-CB 3.97Å; M1291-L1320 HydrophobicContact CE-CD2 4.15Å; M1291-L1320 WeakPolarHBondContact CE-O 3.19Å; M1291-L1320 HydrophobicContact SD-CB 4.01Å; M1291-L1320 HydrophobicContact SD-CD1 3.87Å; M1291-L1320 HydrophobicContact SD-CD2 3.93Å; M1291-L1320 HydrophobicContact SD-CG 4.15Å; I1306-L1320 HydrophobicContact CD1-CD1 4.22Å; L1316-L1320 HydrophobicContact CD1-CD1 3.9Å; L1316-L1320 HydrophobicContact CD1-CD2 4.47Å; L1316-L1320 HydrophobicContact CD1-CG 4Å; L1316-L1320 HydrophobicContact CD2-CD1 4.19Å; L1316-L1320 HydrophobicContact CG-CD1 3.68Å; L1316-L1320 HydrophobicContact CG-CG 4.14Å; L1316-L1320 WeakPolarHBondContact O-CB 3.38Å; L1316-L1320 VanDerWaalsContact O-CG 3.24Å; L1316-L1320 WeakPolarHBondContact O-CG 3.35Å; L1316-L1320 PolarHBondContact O-N 3.48Å; F1317-L1320 PolarHBondContact O-N 2.87Å; L1320-F1322 HydrophobicContact CB-CD2 3.93Å; L1320-F1322 HydrophobicContact CB-CE2 3.96Å; L1320-F1322 HydrophobicContact CD1-CE2 4.41Å |
| 1321 | G | 89 | Confident | 89.3 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 15.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | N1254 A1275 N1277 F1317 S1319 | N1254-G1321 WeakPolarHBondContact O-CA 3.48Å; N1254-G1321 PolarHBondContact O-N 3.11Å; N1254-G1321 VanDerWaalsContact O-N 3.1Å; A1275-G1321 VanDerWaalsContact CB-C 3.46Å; A1275-G1321 WeakPolarHBondContact CB-O 3.48Å; N1277-G1321 PolarHBondContact ND2-O 3.3Å; F1317-G1321 PolarHBondContact O-N 3.1Å; S1319-G1321 VanDerWaalsContact C-N 3.32Å |
| 1322 | F | 90.7 | Very high | 88.8 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | trans | -73 | 136.6 | 173.7 | -68.8 | -89.9 | 0 | 0 | 0 | 111.2 | A1275 N1277 P1288 I1290 M1291 I1306 F1317 L1320 Q1324 | A1275-F1322 HydrophobicContact CB-CB 4.38Å; A1275-F1322 HydrophobicContact CB-CD1 3.71Å; A1275-F1322 HydrophobicContact CB-CD2 3.71Å; A1275-F1322 HydrophobicContact CB-CE1 3.79Å; A1275-F1322 HydrophobicContact CB-CE2 3.78Å; A1275-F1322 HydrophobicContact CB-CG 3.68Å; A1275-F1322 HydrophobicContact CB-CZ 3.84Å; N1277-F1322 VanDerWaalsContact OD1-CA 3.25Å; N1277-F1322 WeakPolarHBondContact OD1-CA 3.44Å; P1288-F1322 HydrophobicContact CB-CB 4.24Å; P1288-F1322 HydrophobicContact CB-CD1 3.41Å; P1288-F1322 VanDerWaalsContact CB-CD1 3.41Å; P1288-F1322 HydrophobicContact CB-CE1 3.94Å; P1288-F1322 HydrophobicContact CB-CG 3.93Å; I1290-F1322 WeakPolarHBondContact O-CE1 3.33Å; I1290-F1322 VanDerWaalsContact O-CZ 3.31Å; I1290-F1322 WeakPolarHBondContact O-CZ 3.44Å; M1291-F1322 HydrophobicContact CG-CE2 3.73Å; M1291-F1322 HydrophobicContact CG-CZ 3.6Å; M1291-F1322 HydrophobicContact SD-CE2 4.2Å; I1306-F1322 HydrophobicContact CD1-CD2 4.47Å; I1306-F1322 HydrophobicContact CD1-CE2 3.66Å; I1306-F1322 HydrophobicContact CD1-CZ 3.87Å; F1317-F1322 HydrophobicContact CB-CB 4.24Å; F1317-F1322 HydrophobicContact CD1-CD2 4.31Å; F1317-F1322 PolarHBondContact O-N 2.9Å; L1320-F1322 HydrophobicContact CB-CD2 3.93Å; L1320-F1322 HydrophobicContact CB-CE2 3.96Å; L1320-F1322 HydrophobicContact CD1-CE2 4.41Å; F1322-Q1324 WeakPolarHBondContact CB-O 3.44Å; F1322-Q1324 PolarHBondContact O-N 2.9Å | ||
| 1323 | E | 87.4 | Confident | 88.1 | Confident | 99 Ų | 99 | 41.7 Ų | 41.7 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -68.9 | -20.8 | 176.4 | -80.5 | -174.3 | -160.7 | 0 | 0 | 113.5 | N1277 H1278 R1285 | N1277-E1323 HydrophobicContact CB-CG 4.22Å; N1277-E1323 PolarHBondContact OD1-N 2.89Å; H1278-E1323 IonicContact CE1-OE1 3.74Å; H1278-E1323 PolarHBondContact CE1-OE1 2.97Å; H1278-E1323 IonicContact CE1-OE2 2.65Å; H1278-E1323 IonicContact NE2-OE1 2.72Å; R1285-E1323 IonicContact CZ-OE2 2.7Å; R1285-E1323 IonicContact NH1-OE2 3.97Å; R1285-E1323 PolarHBondContact NH1-OE2 3.4Å; R1285-E1323 IonicContact NH2-OE2 2.77Å |
| 1324 | Q | 87.4 | Confident | 87.4 | Confident | 43 Ų | 43 | 41.8 Ų | 41.8 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -139.9 | 143.7 | 179.3 | -69 | -178.2 | -20.3 | 0 | 0 | 109 | F1322 E1328 | F1322-Q1324 WeakPolarHBondContact CB-O 3.44Å; F1322-Q1324 PolarHBondContact O-N 2.9Å; Q1324-E1328 WeakPolarHBondContact CA-OE2 2.77Å; Q1324-E1328 HydrophobicContact CB-CB 4.07Å; Q1324-E1328 HydrophobicContact CG-CB 4.46Å |
| 1325 | T | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -74.3 | 165.9 | 168.6 | 81.7 | 0 | 0 | 0 | 0 | 111.2 | D1314 F1317 R1318 K1327 E1328 W1329 | D1314-T1325 HydrophobicContact CB-CG2 3.78Å; D1314-T1325 WeakPolarHBondContact OD1-CB 3.25Å; D1314-T1325 WeakPolarHBondContact OD1-CG2 3.36Å; D1314-T1325 PolarHBondContact OD1-OG1 2.92Å; F1317-T1325 HydrophobicContact CB-CG2 4.19Å; R1318-T1325 HydrophobicContact CG-CG2 4.07Å; T1325-K1327 PolarHBondContact O-N 3.43Å; T1325-K1327 PolarHBondContact OG1-N 3.4Å; T1325-E1328 PolarHBondContact N-OE2 3.18Å; T1325-E1328 PolarHBondContact O-N 3.08Å; T1325-E1328 PolarHBondContact OG1-N 3.46Å; T1325-W1329 PolarHBondContact O-N 3.15Å | ||
| 1326 | W | 89 | Confident | 85.3 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 19% | 0.186 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -35.2 | 175.5 | 179.3 | -95.6 | 0 | 0 | 0 | 112.9 | P1288 Q1289 P1309 E1310 F1317 W1329 S1330 | P1288-W1326 HydrophobicContact CG-CB 4.4Å; P1288-W1326 HydrophobicContact CG-CE3 4.25Å; Q1289-W1326 HydrophobicContact CB-CZ3 4.03Å; Q1289-W1326 HydrophobicContact CG-CZ3 4.48Å; P1309-W1326 HydrophobicContact CB-CB 4.12Å; P1309-W1326 HydrophobicContact CB-CD2 3.61Å; P1309-W1326 HydrophobicContact CB-CE3 3.49Å; P1309-W1326 VanDerWaalsContact CB-CE3 3.49Å; P1309-W1326 HydrophobicContact CB-CG 3.89Å; P1309-W1326 HydrophobicContact CB-CZ3 4.09Å; P1309-W1326 HydrophobicContact CG-CD2 3.67Å; P1309-W1326 HydrophobicContact CG-CE3 3.43Å; P1309-W1326 VanDerWaalsContact CG-CE3 3.43Å; P1309-W1326 HydrophobicContact CG-CG 4.41Å; P1309-W1326 HydrophobicContact CG-CH2 3.79Å; P1309-W1326 HydrophobicContact CG-CZ2 4.03Å; P1309-W1326 HydrophobicContact CG-CZ3 3.49Å; P1309-W1326 VanDerWaalsContact CG-CZ3 3.49Å; E1310-W1326 VanDerWaalsContact CA-CD1 3.49Å; F1317-W1326 HydrophobicContact CE1-CB 4Å; F1317-W1326 HydrophobicContact CE2-CB 3.89Å; F1317-W1326 HydrophobicContact CZ-CB 3.52Å; W1326-W1329 HydrophobicContact CD2-CE3 4.47Å; W1326-W1329 HydrophobicContact CE3-CE3 4.17Å; W1326-W1329 HydrophobicContact CE3-CZ3 4.47Å; W1326-W1329 HydrophobicContact CH2-CE3 4.38Å; W1326-W1329 AromaticContact CH2-CZ3 3.87Å; W1326-W1329 HydrophobicContact CH2-CZ3 3.87Å; W1326-W1329 HydrophobicContact CZ2-CZ3 4.21Å; W1326-W1329 HydrophobicContact CZ3-CE3 4.13Å; W1326-W1329 HydrophobicContact CZ3-CZ3 4Å; W1326-S1330 WeakPolarHBondContact O-CB 3.42Å; W1326-S1330 PolarHBondContact O-N 2.78Å |
| 1327 | K | 87.8 | Confident | 84 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 22% | 0.217 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -56.2 | 170.5 | -97.1 | -176.4 | 172.7 | -83.4 | 0 | 111.8 | D437 T438 E439 T1325 W1329 S1330 D1331 | D437-K1327 WeakPolarHBondContact O-CE 3.45Å; D437-K1327 PolarHBondContact O-NZ 3.23Å; T438-K1327 VanDerWaalsContact C-NZ 3.28Å; T438-K1327 WeakPolarHBondContact O-CD 3.46Å; T438-K1327 WeakPolarHBondContact O-CE 3.31Å; E439-K1327 HydrophobicContact CB-CD 4.45Å; E439-K1327 HydrophobicContact CG-CB 3.98Å; E439-K1327 HydrophobicContact CG-CD 4Å; E439-K1327 HydrophobicContact CG-CG 4.1Å; E439-K1327 VanDerWaalsContact OE1-O 3.11Å; E439-K1327 IonicContact OE2-NZ 3.91Å; E439-K1327 PolarHBondContact OE2-NZ 3.5Å; T1325-K1327 PolarHBondContact O-N 3.43Å; T1325-K1327 PolarHBondContact OG1-N 3.4Å; K1327-W1329 PolarHBondContact O-N 3Å; K1327-S1330 CarbonylContact O-C 3.53Å; K1327-S1330 WeakPolarHBondContact O-CA 3.41Å; K1327-S1330 WeakPolarHBondContact O-CB 3.21Å; K1327-S1330 PolarHBondContact O-N 2.97Å; K1327-D1331 PolarHBondContact O-N 2.64Å |
| 1328 | E | 88.7 | Confident | 82.8 | Confident | 44 Ų | 44 | 52 Ų | 52 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.7 | -38 | -179.2 | -67.9 | 169.5 | 160.8 | 0 | 0 | 112.3 | R1318 Q1324 T1325 S1332 | R1318-E1328 IonicContact CZ-OE1 3.69Å; R1318-E1328 IonicContact NE-OE1 2.7Å; R1318-E1328 IonicContact NH2-OE1 3.36Å; R1318-E1328 PolarHBondContact NH2-OE1 3.15Å; R1318-E1328 IonicContact NH2-OE2 3.14Å; Q1324-E1328 WeakPolarHBondContact CA-OE2 2.77Å; Q1324-E1328 HydrophobicContact CB-CB 4.07Å; Q1324-E1328 HydrophobicContact CG-CB 4.46Å; T1325-E1328 PolarHBondContact N-OE2 3.18Å; T1325-E1328 PolarHBondContact O-N 3.08Å; T1325-E1328 PolarHBondContact OG1-N 3.46Å; E1328-S1332 WeakPolarHBondContact O-CB 3.25Å; E1328-S1332 PolarHBondContact O-N 3.13Å; E1328-S1332 VanDerWaalsContact O-N 3.08Å |
| 1329 | W | 88.1 | Confident | 81.6 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.3 | -50.3 | 170.6 | 179.7 | 80.3 | 0 | 0 | 0 | 112.1 | R1285 P1288 T1325 W1326 K1327 D1331 S1332 Q1333 | R1285-W1329 PolarHBondContact O-NE1 2.86Å; R1285-W1329 VanDerWaalsContact O-NE1 3.14Å; P1288-W1329 VanDerWaalsContact CD-CB 3.47Å; P1288-W1329 VanDerWaalsContact CD-CG 3.41Å; P1288-W1329 HydrophobicContact CG-CB 3.86Å; P1288-W1329 HydrophobicContact CG-CG 4.35Å; T1325-W1329 PolarHBondContact O-N 3.15Å; W1326-W1329 HydrophobicContact CD2-CE3 4.47Å; W1326-W1329 HydrophobicContact CE3-CE3 4.17Å; W1326-W1329 HydrophobicContact CE3-CZ3 4.47Å; W1326-W1329 HydrophobicContact CH2-CE3 4.38Å; W1326-W1329 AromaticContact CH2-CZ3 3.87Å; W1326-W1329 HydrophobicContact CH2-CZ3 3.87Å; W1326-W1329 HydrophobicContact CZ2-CZ3 4.21Å; W1326-W1329 HydrophobicContact CZ3-CE3 4.13Å; W1326-W1329 HydrophobicContact CZ3-CZ3 4Å; K1327-W1329 PolarHBondContact O-N 3Å; W1329-D1331 VanDerWaalsContact C-N 3.35Å; W1329-D1331 PolarHBondContact O-N 3.05Å; W1329-S1332 WeakPolarHBondContact O-CA 3.24Å; W1329-S1332 WeakPolarHBondContact O-CB 3.23Å; W1329-S1332 PolarHBondContact O-N 2.98Å; W1329-S1332 PolarHBondContact O-OG 3.48Å; W1329-Q1333 HydrophobicContact CD2-CG 4.06Å; W1329-Q1333 HydrophobicContact CE3-CG 4.47Å; W1329-Q1333 HydrophobicContact CH2-CG 4.06Å; W1329-Q1333 HydrophobicContact CZ2-CG 3.6Å; W1329-Q1333 HydrophobicContact CZ3-CG 4.47Å; W1329-Q1333 WeakPolarHBondContact O-CG 3.41Å; W1329-Q1333 PolarHBondContact O-N 3.42Å |
| 1330 | S | 85.7 | Confident | 80.2 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.5 | -44.9 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | W1326 K1327 Q1333 K1334 | W1326-S1330 WeakPolarHBondContact O-CB 3.42Å; W1326-S1330 PolarHBondContact O-N 2.78Å; K1327-S1330 CarbonylContact O-C 3.53Å; K1327-S1330 WeakPolarHBondContact O-CA 3.41Å; K1327-S1330 WeakPolarHBondContact O-CB 3.21Å; K1327-S1330 PolarHBondContact O-N 2.97Å; S1330-Q1333 PolarHBondContact O-N 2.79Å; S1330-K1334 VanDerWaalsContact C-CE 3.46Å; S1330-K1334 VanDerWaalsContact O-CE 3.29Å; S1330-K1334 WeakPolarHBondContact O-CE 3.49Å; S1330-K1334 WeakPolarHBondContact O-CG 3.13Å; S1330-K1334 PolarHBondContact O-N 2.8Å; S1330-K1334 WeakPolarHBondContact OG-CE 3.37Å |
| 1331 | D | 83.8 | Confident | 78.9 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.353 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.2 | -31.2 | 176.2 | -122.4 | 22.2 | 0 | 0 | 0 | 112.5 | E439 K1327 W1329 Q1333 K1334 A1335 | E439-D1331 HydrophobicContact CG-CB 4.24Å; E439-D1331 VanDerWaalsContact OE1-CB 3.3Å; E439-D1331 WeakPolarHBondContact OE1-CB 3.3Å; K1327-D1331 PolarHBondContact O-N 2.64Å; W1329-D1331 VanDerWaalsContact C-N 3.35Å; W1329-D1331 PolarHBondContact O-N 3.05Å; D1331-Q1333 VanDerWaalsContact C-N 3.33Å; D1331-K1334 PolarHBondContact O-N 3.32Å; D1331-K1334 WeakPolarHBondContact OD1-CD 3.32Å; D1331-K1334 VanDerWaalsContact OD1-CE 3.28Å; D1331-K1334 WeakPolarHBondContact OD1-CE 3.27Å; D1331-K1334 IonicContact OD1-NZ 2.73Å; D1331-K1334 PolarHBondContact OD1-NZ 2.99Å; D1331-A1335 WeakPolarHBondContact O-CB 3.45Å; D1331-A1335 PolarHBondContact O-N 3.47Å |
| 1332 | S | 80.3 | Confident | 77.8 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 22% | 0.217 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 169.8 | 84.3 | 0 | 0 | 0 | 0 | 111.4 | E1328 W1329 A1335 E1336 | E1328-S1332 WeakPolarHBondContact O-CB 3.25Å; E1328-S1332 PolarHBondContact O-N 3.13Å; E1328-S1332 VanDerWaalsContact O-N 3.08Å; W1329-S1332 WeakPolarHBondContact O-CA 3.24Å; W1329-S1332 WeakPolarHBondContact O-CB 3.23Å; W1329-S1332 PolarHBondContact O-N 2.98Å; W1329-S1332 PolarHBondContact O-OG 3.48Å; S1332-A1335 CarbonylContact O-C 3.53Å; S1332-A1335 WeakPolarHBondContact O-CB 3.32Å; S1332-A1335 PolarHBondContact O-N 2.95Å; S1332-E1336 WeakPolarHBondContact O-CG 3.43Å; S1332-E1336 PolarHBondContact O-N 3.19Å |
| 1333 | Q | 75.6 | Confident | 76.3 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.8 | -42.3 | 175.5 | -64.1 | -58.6 | -87.5 | 0 | 0 | 111.2 | W1329 S1330 D1331 A1335 E1336 D1337 | W1329-Q1333 HydrophobicContact CD2-CG 4.06Å; W1329-Q1333 HydrophobicContact CE3-CG 4.47Å; W1329-Q1333 HydrophobicContact CH2-CG 4.06Å; W1329-Q1333 HydrophobicContact CZ2-CG 3.6Å; W1329-Q1333 HydrophobicContact CZ3-CG 4.47Å; W1329-Q1333 WeakPolarHBondContact O-CG 3.41Å; W1329-Q1333 PolarHBondContact O-N 3.42Å; S1330-Q1333 PolarHBondContact O-N 2.79Å; D1331-Q1333 VanDerWaalsContact C-N 3.33Å; Q1333-A1335 PolarHBondContact O-N 3.45Å; Q1333-E1336 PolarHBondContact NE2-OE2 3.06Å; Q1333-E1336 PolarHBondContact O-N 2.99Å; Q1333-D1337 VanDerWaalsContact O-CB 3.3Å; Q1333-D1337 WeakPolarHBondContact O-CB 3.29Å; Q1333-D1337 PolarHBondContact O-N 2.93Å |
| 1334 | K | 76.9 | Confident | 75 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58 | -31.8 | 170.3 | -70.9 | 169.6 | -110 | 154.3 | 0 | 111.9 | E439 S1330 D1331 R1338 | E439-K1334 IonicContact OE1-NZ 2.59Å; E439-K1334 PolarHBondContact OE1-NZ 3.38Å; E439-K1334 IonicContact OE2-NZ 2.7Å; S1330-K1334 VanDerWaalsContact C-CE 3.46Å; S1330-K1334 VanDerWaalsContact O-CE 3.29Å; S1330-K1334 WeakPolarHBondContact O-CE 3.49Å; S1330-K1334 WeakPolarHBondContact O-CG 3.13Å; S1330-K1334 PolarHBondContact O-N 2.8Å; S1330-K1334 WeakPolarHBondContact OG-CE 3.37Å; D1331-K1334 PolarHBondContact O-N 3.32Å; D1331-K1334 WeakPolarHBondContact OD1-CD 3.32Å; D1331-K1334 VanDerWaalsContact OD1-CE 3.28Å; D1331-K1334 WeakPolarHBondContact OD1-CE 3.27Å; D1331-K1334 IonicContact OD1-NZ 2.73Å; D1331-K1334 PolarHBondContact OD1-NZ 2.99Å; K1334-R1338 WeakPolarHBondContact O-CB 3.2Å; K1334-R1338 VanDerWaalsContact O-CD 3.25Å; K1334-R1338 WeakPolarHBondContact O-CD 3.11Å; K1334-R1338 WeakPolarHBondContact O-CG 3.43Å; K1334-R1338 PolarHBondContact O-N 2.92Å; K1334-R1338 VanDerWaalsContact O-N 3.09Å |
| 1335 | A | 71.2 | Confident | 73.6 | Confident | 41 Ų | 41 | 65.5 Ų | 65.5 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.9 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1331 S1332 Q1333 R1338 Q1339 | D1331-A1335 WeakPolarHBondContact O-CB 3.45Å; D1331-A1335 PolarHBondContact O-N 3.47Å; S1332-A1335 CarbonylContact O-C 3.53Å; S1332-A1335 WeakPolarHBondContact O-CB 3.32Å; S1332-A1335 PolarHBondContact O-N 2.95Å; Q1333-A1335 PolarHBondContact O-N 3.45Å; A1335-R1338 PolarHBondContact O-N 2.68Å; A1335-Q1339 WeakPolarHBondContact O-CG 3.3Å; A1335-Q1339 PolarHBondContact O-N 2.79Å |
| 1336 | E | 64.7 | Low | 71.9 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -51.4 | 171 | -74.9 | -177.4 | 177.4 | 0 | 0 | 110.3 | Q1284 S1332 Q1333 R1338 Q1339 E1340 | Q1284-E1336 PolarHBondContact NE2-OE2 2.7Å; S1332-E1336 WeakPolarHBondContact O-CG 3.43Å; S1332-E1336 PolarHBondContact O-N 3.19Å; Q1333-E1336 PolarHBondContact NE2-OE2 3.06Å; Q1333-E1336 PolarHBondContact O-N 2.99Å; E1336-R1338 VanDerWaalsContact C-N 3.28Å; E1336-R1338 PolarHBondContact O-N 2.85Å; E1336-Q1339 CarbonylContact O-C 3.54Å; E1336-Q1339 WeakPolarHBondContact O-CA 3.41Å; E1336-Q1339 WeakPolarHBondContact O-CB 3.49Å; E1336-Q1339 PolarHBondContact O-N 2.97Å; E1336-E1340 WeakPolarHBondContact O-CB 3.44Å; E1336-E1340 PolarHBondContact O-N 3.09Å |
| 1337 | D | 63.6 | Low | 70.1 | Confident | 107 Ų | 107 | 68.2 Ų | 68.2 | 57% | 0.572 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -54 | -40.9 | 172.5 | -85.4 | -23.9 | 0 | 0 | 0 | 112 | Q1333 K1341 | Q1333-D1337 VanDerWaalsContact O-CB 3.3Å; Q1333-D1337 WeakPolarHBondContact O-CB 3.29Å; Q1333-D1337 PolarHBondContact O-N 2.93Å; D1337-K1341 WeakPolarHBondContact O-CB 3.43Å; D1337-K1341 PolarHBondContact O-N 2.86Å |
| 1338 | R | 66.9 | Low | 68.3 | Low | 166 Ų | 166 | 69 Ų | 69 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.3 | -40 | 174.8 | -78.8 | 165.7 | -179.4 | 165.7 | -1 | 111.7 | K1334 A1335 E1336 T1342 | K1334-R1338 WeakPolarHBondContact O-CB 3.2Å; K1334-R1338 VanDerWaalsContact O-CD 3.25Å; K1334-R1338 WeakPolarHBondContact O-CD 3.11Å; K1334-R1338 WeakPolarHBondContact O-CG 3.43Å; K1334-R1338 PolarHBondContact O-N 2.92Å; K1334-R1338 VanDerWaalsContact O-N 3.09Å; A1335-R1338 PolarHBondContact O-N 2.68Å; E1336-R1338 VanDerWaalsContact C-N 3.28Å; E1336-R1338 PolarHBondContact O-N 2.85Å; R1338-T1342 WeakPolarHBondContact O-CB 3.4Å; R1338-T1342 PolarHBondContact O-N 3.14Å; R1338-T1342 PolarHBondContact O-OG1 3.13Å |
| 1339 | Q | 64.1 | Low | 66.3 | Low | 117 Ų | 117 | 71 Ų | 71 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.3 | -48 | 175.8 | -73.2 | -174.6 | 44.1 | 0 | 0 | 111.3 | A1335 E1336 T1342 L1343 | A1335-Q1339 WeakPolarHBondContact O-CG 3.3Å; A1335-Q1339 PolarHBondContact O-N 2.79Å; E1336-Q1339 CarbonylContact O-C 3.54Å; E1336-Q1339 WeakPolarHBondContact O-CA 3.41Å; E1336-Q1339 WeakPolarHBondContact O-CB 3.49Å; E1336-Q1339 PolarHBondContact O-N 2.97Å; Q1339-T1342 CarbonylContact O-C 3.56Å; Q1339-T1342 PolarHBondContact O-N 3.47Å; Q1339-L1343 WeakPolarHBondContact O-CB 3.42Å; Q1339-L1343 PolarHBondContact O-N 2.9Å |
| 1340 | E | 60.4 | Low | 64 | Low | 108 Ų | 108 | 72.3 Ų | 72.3 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.5 | -56.4 | 172.4 | -84.5 | -110.8 | 173.3 | 0 | 0 | 111.8 | E1336 T1342 L1343 Q1344 | E1336-E1340 WeakPolarHBondContact O-CB 3.44Å; E1336-E1340 PolarHBondContact O-N 3.09Å; E1340-T1342 PolarHBondContact O-N 3.1Å; E1340-T1342 VanDerWaalsContact O-N 3.15Å; E1340-L1343 CarbonylContact O-C 3.57Å; E1340-L1343 WeakPolarHBondContact O-CA 3.45Å; E1340-L1343 WeakPolarHBondContact O-CB 3.35Å; E1340-L1343 PolarHBondContact O-N 3.13Å; E1340-Q1344 WeakPolarHBondContact O-CB 3.48Å; E1340-Q1344 WeakPolarHBondContact O-CG 3.29Å; E1340-Q1344 PolarHBondContact O-N 3.02Å; E1340-Q1344 PolarHBondContact OE2-NE2 3.32Å |
| 1341 | K | 64.8 | Low | 61.7 | Low | 83 Ų | 83 | 74.8 Ų | 74.8 | 36% | 0.361 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -30.6 | 178.5 | -160.8 | 165.3 | -167.7 | 169.3 | 0 | 111.3 | E296 D1337 Q1345 | E296-K1341 IonicContact OE1-NZ 3.87Å; E296-K1341 PolarHBondContact OE1-NZ 3.5Å; E296-K1341 IonicContact OE2-NZ 3.42Å; E296-K1341 PolarHBondContact OE2-NZ 3.15Å; D1337-K1341 WeakPolarHBondContact O-CB 3.43Å; D1337-K1341 PolarHBondContact O-N 2.86Å; K1341-Q1345 VanDerWaalsContact O-CB 3.29Å; K1341-Q1345 WeakPolarHBondContact O-CB 3.46Å; K1341-Q1345 WeakPolarHBondContact O-CG 3.41Å; K1341-Q1345 PolarHBondContact O-N 2.78Å |
| 1342 | T | 65.1 | Low | 59.4 | Low | 51 Ų | 51 | 75.2 Ų | 75.2 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -80.7 | -29.1 | 172.2 | -42.9 | 0 | 0 | 0 | 0 | 113.5 | R112 R1338 Q1339 E1340 A1346 | R112-T1342 VanDerWaalsContact NH2-CG2 3.29Å; R1338-T1342 WeakPolarHBondContact O-CB 3.4Å; R1338-T1342 PolarHBondContact O-N 3.14Å; R1338-T1342 PolarHBondContact O-OG1 3.13Å; Q1339-T1342 CarbonylContact O-C 3.56Å; Q1339-T1342 PolarHBondContact O-N 3.47Å; E1340-T1342 PolarHBondContact O-N 3.1Å; E1340-T1342 VanDerWaalsContact O-N 3.15Å; T1342-A1346 WeakPolarHBondContact O-CB 3.39Å; T1342-A1346 PolarHBondContact O-N 3.29Å |
| 1343 | L | 60.1 | Low | 56.9 | Low | 47 Ų | 47 | 87.1 Ų | 87.1 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -72.5 | -39.9 | 172.3 | -99.9 | 160.1 | 0 | 0 | 0 | 111.8 | W122 Q1339 E1340 A1346 Q1347 | W122-L1343 HydrophobicContact CZ2-CD2 4.1Å; Q1339-L1343 WeakPolarHBondContact O-CB 3.42Å; Q1339-L1343 PolarHBondContact O-N 2.9Å; E1340-L1343 CarbonylContact O-C 3.57Å; E1340-L1343 WeakPolarHBondContact O-CA 3.45Å; E1340-L1343 WeakPolarHBondContact O-CB 3.35Å; E1340-L1343 PolarHBondContact O-N 3.13Å; L1343-A1346 VanDerWaalsContact O-CB 3.32Å; L1343-A1346 WeakPolarHBondContact O-CB 3.18Å; L1343-A1346 PolarHBondContact O-N 3.18Å; L1343-Q1347 WeakPolarHBondContact O-CB 3.32Å; L1343-Q1347 VanDerWaalsContact O-CG 3.23Å; L1343-Q1347 WeakPolarHBondContact O-CG 3.44Å; L1343-Q1347 PolarHBondContact O-N 3.45Å |
| 1344 | Q | 59 | Low | 56 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 40% | 0.402 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 173.6 | -65.5 | -177.7 | 30.3 | 0 | 0 | 110.7 | E1340 A1346 Q1347 S1348 | E1340-Q1344 WeakPolarHBondContact O-CB 3.48Å; E1340-Q1344 WeakPolarHBondContact O-CG 3.29Å; E1340-Q1344 PolarHBondContact O-N 3.02Å; E1340-Q1344 PolarHBondContact OE2-NE2 3.32Å; Q1344-A1346 VanDerWaalsContact C-N 3.34Å; Q1344-A1346 PolarHBondContact O-N 3.28Å; Q1344-Q1347 PolarHBondContact O-N 2.98Å; Q1344-S1348 VanDerWaalsContact O-CB 3.25Å; Q1344-S1348 WeakPolarHBondContact O-CB 3.41Å; Q1344-S1348 PolarHBondContact O-N 3.07Å; Q1344-S1348 PolarHBondContact O-OG 2.82Å |
| 1345 | Q | 58.2 | Low | 54.9 | Low | 56 Ų | 56 | 90.2 Ų | 90.2 | 26% | 0.262 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 168.4 | -81.4 | -179.9 | 12.1 | 0 | 0 | 111.1 | K1341 Q1347 S1348 H1349 | K1341-Q1345 VanDerWaalsContact O-CB 3.29Å; K1341-Q1345 WeakPolarHBondContact O-CB 3.46Å; K1341-Q1345 WeakPolarHBondContact O-CG 3.41Å; K1341-Q1345 PolarHBondContact O-N 2.78Å; Q1345-Q1347 PolarHBondContact O-N 3.28Å; Q1345-S1348 WeakPolarHBondContact CA-OG 3.06Å; Q1345-S1348 PolarHBondContact O-N 2.72Å; Q1345-S1348 PolarHBondContact O-OG 2.99Å; Q1345-H1349 PolarHBondContact O-CD2 3.05Å; Q1345-H1349 PolarHBondContact O-N 3.43Å |
| 1346 | A | 56.5 | Low | 54 | Low | 15 Ų | 15 | 92.9 Ų | 92.9 | 12% | 0.124 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I94 T1342 L1343 Q1344 H1349 | I94-A1346 HydrophobicContact CD1-CB 3.1Å; T1342-A1346 WeakPolarHBondContact O-CB 3.39Å; T1342-A1346 PolarHBondContact O-N 3.29Å; L1343-A1346 VanDerWaalsContact O-CB 3.32Å; L1343-A1346 WeakPolarHBondContact O-CB 3.18Å; L1343-A1346 PolarHBondContact O-N 3.18Å; Q1344-A1346 VanDerWaalsContact C-N 3.34Å; Q1344-A1346 PolarHBondContact O-N 3.28Å; A1346-H1349 CarbonylContact O-C 3.57Å; A1346-H1349 PolarHBondContact O-N 3.18Å |
| 1347 | Q | 51.7 | Low | 53.4 | Low | 91 Ų | 91 | 93.9 Ų | 93.9 | 43% | 0.425 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 176.4 | -71.4 | 166.9 | 2.8 | 0 | 0 | 111.6 | L1343 Q1344 Q1345 H1349 S1350 | L1343-Q1347 WeakPolarHBondContact O-CB 3.32Å; L1343-Q1347 VanDerWaalsContact O-CG 3.23Å; L1343-Q1347 WeakPolarHBondContact O-CG 3.44Å; L1343-Q1347 PolarHBondContact O-N 3.45Å; Q1344-Q1347 PolarHBondContact O-N 2.98Å; Q1345-Q1347 PolarHBondContact O-N 3.28Å; Q1347-H1349 VanDerWaalsContact C-N 3.26Å; Q1347-H1349 PolarHBondContact O-N 3.35Å; Q1347-S1350 PolarHBondContact O-N 1.8Å; Q1347-S1350 VanDerWaalsContact O-N 3.1Å; Q1347-S1350 PolarHBondContact O-OG 3.47Å |
| 1348 | S | 49.5 | Very low | 52.7 | Low | 65 Ų | 65 | 93.1 Ų | 93.1 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.5 | -27.1 | 173.4 | 82.5 | 0 | 0 | 0 | 0 | 112.8 | Q1344 Q1345 S1350 | Q1344-S1348 VanDerWaalsContact O-CB 3.25Å; Q1344-S1348 WeakPolarHBondContact O-CB 3.41Å; Q1344-S1348 PolarHBondContact O-N 3.07Å; Q1344-S1348 PolarHBondContact O-OG 2.82Å; Q1345-S1348 WeakPolarHBondContact CA-OG 3.06Å; Q1345-S1348 PolarHBondContact O-N 2.72Å; Q1345-S1348 PolarHBondContact O-OG 2.99Å; S1348-S1350 PolarHBondContact O-N 2.92Å |
| 1349 | H | 46 | Very low | 51.8 | Low | 88 Ų | 88 | 88.3 Ų | 88.3 | 41% | 0.407 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 38.8 | 164.9 | -74.3 | -62.2 | 0 | 0 | 0 | 112.8 | Q1345 A1346 Q1347 P1351 | Q1345-H1349 PolarHBondContact O-CD2 3.05Å; Q1345-H1349 PolarHBondContact O-N 3.43Å; A1346-H1349 CarbonylContact O-C 3.57Å; A1346-H1349 PolarHBondContact O-N 3.18Å; Q1347-H1349 VanDerWaalsContact C-N 3.26Å; Q1347-H1349 PolarHBondContact O-N 3.35Å; H1349-P1351 WeakPolarHBondContact O-CD 3.44Å |
| 1350 | S | 40.2 | Very low | 50.9 | Low | 73 Ų | 73 | 86.2 Ų | 86.2 | 51% | 0.51 | 46% | 0.458 | S | S | . | . | trans | -58.4 | 125.9 | 163.1 | -76.5 | 0 | 0 | 0 | 0 | 109.6 | Q1347 S1348 G1352 | Q1347-S1350 PolarHBondContact O-N 1.8Å; Q1347-S1350 VanDerWaalsContact O-N 3.1Å; Q1347-S1350 PolarHBondContact O-OG 3.47Å; S1348-S1350 PolarHBondContact O-N 2.92Å; S1350-G1352 VanDerWaalsContact C-N 3.31Å; S1350-G1352 PolarHBondContact O-N 2.96Å | ||
| 1351 | P | 37.4 | Very low | 50.2 | Low | 88 Ų | 88 | 84.5 Ų | 84.5 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | trans | -68.7 | 86.6 | 177.5 | -19.8 | 33.7 | 0 | 0 | 0 | 111 | H1349 R1353 | H1349-P1351 WeakPolarHBondContact O-CD 3.44Å; P1351-R1353 PolarHBondContact O-N 3.05Å | ||
| 1352 | G | 34.6 | Very low | 49 | Very low | 74 Ų | 74 | 84.7 Ų | 84.7 | 76% | 0.763 | 46% | 0.462 | S | S | * | . | trans | -58.4 | 128.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1350 | S1350-G1352 VanDerWaalsContact C-N 3.31Å; S1350-G1352 PolarHBondContact O-N 2.96Å | ||
| 1353 | R | 29.3 | Very low | 47.5 | Very low | 282 Ų | 282 | 87.7 Ų | 87.7 | 100% | 1.064 | 48% | 0.475 | S | S | * | . | trans | -106.9 | 0 | 156.8 | -169.8 | 179.9 | -170.5 | -157 | -0.2 | 106.7 | R239 P1351 | R239-R1353 PolarHBondContact NH2-OXT 2.79Å; P1351-R1353 PolarHBondContact O-N 3.05Å |
Retrieved 1,353 of 1,353 residues in 302.5 ms
(Link to these results)