| 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 | 37.8 | Very low | 82.3 | Confident | 230 Ų | 230 | 78.9 Ų | 78.9 | 100% | 1.133 | 45% | 0.447 | S | S | * | . | 0 | 133.6 | 0 | -71.1 | -169.1 | -78.3 | 0 | 0 | 106.8 | N3 | M1-N3 PolarHBondContact O-N 2.93Š| |||
| 2 | A | 55 | Low | 83.4 | Confident | 89 Ų | 89 | 77.8 Ų | 77.8 | 74% | 0.736 | 44% | 0.444 | S | S | * | . | trans | -68.8 | 123.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | V4 | A2-V4 PolarHBondContact O-N 3.04Š| ||
| 3 | N | 70 | Confident | 84.5 | Confident | 97 Ų | 97 | 79 Ų | 79 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 124.9 | 178.9 | -72.2 | -18.8 | 0 | 0 | 0 | 108.2 | M1 Y33 A140 | M1-N3 PolarHBondContact O-N 2.93Å; N3-Y33 HydrophobicContact CB-CE2 3.76Å; N3-A140 WeakPolarHBondContact O-CA 3.46Å; N3-A140 WeakPolarHBondContact O-CB 3.32Å |
| 4 | V | 77.1 | Confident | 85.4 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | trans | -90.3 | 114.1 | 175.6 | -178 | 0 | 0 | 0 | 0 | 107.4 | A2 L142 | A2-V4 PolarHBondContact O-N 3.04Å; V4-L142 HydrophobicContact CG1-CD1 4.13Å | ||
| 5 | F | 92.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 0% | 0.004 | 42% | 0.422 | C | S | . | . | trans | -62.2 | 149.9 | 163.9 | 58.4 | -1.3 | 0 | 0 | 0 | 111 | V7 I31 T32 Y33 L43 L103 L105 A140 L142 | F5-V7 HydrophobicContact CD1-CG2 4.06Å; F5-V7 HydrophobicContact CE1-CG2 4Å; F5-V7 HydrophobicContact CZ-CG2 4.49Å; F5-I31 HydrophobicContact CB-CG2 4.43Å; F5-I31 HydrophobicContact CD2-CG2 3.78Å; F5-I31 HydrophobicContact CE2-CG2 4.45Å; F5-I31 HydrophobicContact CG-CG2 4.31Å; F5-T32 CarbonylContact C-O 3.6Å; F5-T32 WeakPolarHBondContact CA-O 3.44Å; F5-T32 WeakPolarHBondContact CB-O 3.48Å; F5-Y33 HydrophobicContact CB-CD2 3.8Å; F5-Y33 HydrophobicContact CB-CG 4.32Å; F5-L43 HydrophobicContact CE2-CD1 3.63Å; F5-L43 HydrophobicContact CZ-CD1 4.44Å; F5-L103 HydrophobicContact CE1-CB 4.24Å; F5-L103 HydrophobicContact CE2-CB 4.19Å; F5-L103 HydrophobicContact CZ-CB 3.42Å; F5-L103 VanDerWaalsContact CZ-CB 3.42Å; F5-L105 HydrophobicContact CD2-CB 4.04Å; F5-L105 HydrophobicContact CD2-CD2 4.33Å; F5-L105 HydrophobicContact CE2-CB 3.93Å; F5-A140 HydrophobicContact CB-CB 4.14Å; F5-A140 HydrophobicContact CD1-CB 4.31Å; F5-A140 HydrophobicContact CD2-CB 4.25Å; F5-A140 HydrophobicContact CG-CB 4.01Å; F5-L142 HydrophobicContact CD1-CB 4.22Å; F5-L142 HydrophobicContact CE1-CB 3.52Å; F5-L142 HydrophobicContact CZ-CB 4.49Å | ||
| 6 | K | 95.8 | Very high | 86.7 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 57% | 0.574 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.6 | 179 | -64.5 | 177.3 | -179.6 | 176.5 | 0 | 108.6 | I31 T32 | K6-I31 CarbonylContact O-C 3.47Å; K6-I31 VanDerWaalsContact O-CA 3.29Å; K6-I31 WeakPolarHBondContact O-CA 3.21Å; K6-T32 PolarHBondContact N-O 3.14Å; K6-T32 PolarHBondContact O-N 3.24Å |
| 7 | V | 97.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.3 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | F5 Y9 V14 P29 I31 L103 L142 | F5-V7 HydrophobicContact CD1-CG2 4.06Å; F5-V7 HydrophobicContact CE1-CG2 4Å; F5-V7 HydrophobicContact CZ-CG2 4.49Å; V7-Y9 HydrophobicContact CG1-CD2 4.13Å; V7-Y9 HydrophobicContact CG1-CE2 3.74Å; V7-V14 HydrophobicContact CB-CB 4.38Å; V7-V14 HydrophobicContact CG1-CG2 4.39Å; V7-V14 PolarHBondContact O-N 2.92Å; V7-P29 HydrophobicContact CG1-CB 3.57Å; V7-P29 HydrophobicContact CG1-CG 3.77Å; V7-I31 HydrophobicContact CG2-CG1 4.41Å; V7-L103 HydrophobicContact CG2-CD2 4.45Å; V7-L142 HydrophobicContact CG2-CD2 4.33Å |
| 8 | N | 97 | Very high | 87.9 | Confident | 41 Ų | 41 | 71.4 Ų | 71.4 | 22% | 0.219 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.1 | -178.9 | -174.9 | -58.2 | 0 | 0 | 0 | 110.9 | G11 T12 P29 R30 | N8-G11 PolarHBondContact ND2-O 3.11Å; N8-G11 VanDerWaalsContact OD1-CA 3.23Å; N8-G11 WeakPolarHBondContact OD1-CA 3.46Å; N8-G11 PolarHBondContact OD1-N 3.37Å; N8-T12 CarbonylContact C-O 3.59Å; N8-T12 VanDerWaalsContact CA-O 3.29Å; N8-T12 WeakPolarHBondContact CA-O 3.43Å; N8-P29 CarbonylContact O-C 3.59Å; N8-P29 VanDerWaalsContact O-CA 3.24Å; N8-P29 WeakPolarHBondContact O-CA 3.37Å; N8-P29 WeakPolarHBondContact O-CB 3.35Å; N8-R30 HydrophobicContact CB-CB 4.39Å; N8-R30 PolarHBondContact N-O 3.45Å; N8-R30 PolarHBondContact O-N 3.42Å |
| 9 | Y | 97 | Very high | 88.4 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 2% | 0.024 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115 | 170.9 | -75.7 | -84.1 | 0 | 0 | 0 | 109.2 | V7 G11 T12 V14 L20 M24 L25 F27 P29 Y87 F144 | V7-Y9 HydrophobicContact CG1-CD2 4.13Å; V7-Y9 HydrophobicContact CG1-CE2 3.74Å; Y9-G11 PolarHBondContact O-N 2.83Å; Y9-T12 PolarHBondContact N-O 3.13Å; Y9-T12 WeakPolarHBondContact O-CB 3.49Å; Y9-T12 PolarHBondContact O-N 3.42Å; Y9-V14 HydrophobicContact CD2-CG2 3.69Å; Y9-V14 HydrophobicContact CE2-CG2 4.29Å; Y9-L20 HydrophobicContact CD2-CD1 4.41Å; Y9-M24 WeakPolarHBondContact CD1-O 3.45Å; Y9-L25 HydrophobicContact CD1-CD2 3.99Å; Y9-L25 HydrophobicContact CD2-CD2 3.86Å; Y9-L25 HydrophobicContact CE1-CD2 3.76Å; Y9-L25 HydrophobicContact CE2-CD2 3.62Å; Y9-L25 HydrophobicContact CG-CD2 4.03Å; Y9-F27 WeakPolarHBondContact CD1-O 3.27Å; Y9-F27 WeakPolarHBondContact CE1-O 3.31Å; Y9-P29 HydrophobicContact CD1-CB 3.91Å; Y9-P29 HydrophobicContact CD2-CB 3.87Å; Y9-P29 HydrophobicContact CE1-CB 3.7Å; Y9-P29 VanDerWaalsContact CE1-CD 3.5Å; Y9-P29 HydrophobicContact CE1-CG 3.87Å; Y9-P29 HydrophobicContact CE2-CB 3.66Å; Y9-P29 HydrophobicContact CE2-CG 3.91Å; Y9-P29 HydrophobicContact CG-CB 4Å; Y9-P29 VanDerWaalsContact CZ-CG 3.5Å; Y9-P29 WeakPolarHBondContact OH-CD 2.96Å; Y9-Y87 WeakPolarHBondContact CE1-OH 3.44Å; Y9-Y87 PolarHBondContact OH-OH 3.25Å; Y9-F144 AromaticContact CE2-CE1 3.89Å; Y9-F144 HydrophobicContact CE2-CE1 3.89Å; Y9-F144 HydrophobicContact CE2-CZ 4.2Å |
| 10 | E | 91.8 | Very high | 88.9 | Confident | 134 Ų | 134 | 72.7 Ų | 72.7 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 35.6 | 173.7 | -58.8 | -171.1 | 154.3 | 0 | 0 | 114.8 | ||
| 11 | G | 93.8 | Very high | 89.2 | Confident | 58 Ų | 58 | 71 Ų | 71 | 60% | 0.598 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | -15.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N8 Y9 | N8-G11 PolarHBondContact ND2-O 3.11Å; N8-G11 VanDerWaalsContact OD1-CA 3.23Å; N8-G11 WeakPolarHBondContact OD1-CA 3.46Å; N8-G11 PolarHBondContact OD1-N 3.37Å; Y9-G11 PolarHBondContact O-N 2.83Å |
| 12 | T | 96.3 | Very high | 92 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.7 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | N8 Y9 | N8-T12 CarbonylContact C-O 3.59Å; N8-T12 VanDerWaalsContact CA-O 3.29Å; N8-T12 WeakPolarHBondContact CA-O 3.43Å; Y9-T12 PolarHBondContact N-O 3.13Å; Y9-T12 WeakPolarHBondContact O-CB 3.49Å; Y9-T12 PolarHBondContact O-N 3.42Å |
| 13 | I | 96.7 | Very high | 93.9 | Very high | 93 Ų | 93 | 65.1 Ų | 65.1 | 48% | 0.477 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 126.2 | 168.2 | -60.3 | 174.9 | 0 | 0 | 0 | 107.6 | ||
| 14 | V | 97.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.9 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | V7 Y9 D18 L20 L142 F144 | V7-V14 HydrophobicContact CB-CB 4.38Å; V7-V14 HydrophobicContact CG1-CG2 4.39Å; V7-V14 PolarHBondContact O-N 2.92Å; Y9-V14 HydrophobicContact CD2-CG2 3.69Å; Y9-V14 HydrophobicContact CE2-CG2 4.29Å; V14-D18 HydrophobicContact CG1-CB 4.12Å; V14-L20 HydrophobicContact CB-CD1 4.47Å; V14-L20 HydrophobicContact CG1-CD1 3.91Å; V14-L20 HydrophobicContact CG2-CD1 3.66Å; V14-L142 HydrophobicContact CB-CD2 4.4Å; V14-L142 HydrophobicContact CG1-CD1 4.46Å; V14-L142 HydrophobicContact CG1-CD2 3.78Å; V14-L142 VanDerWaalsContact O-CD1 3.23Å; V14-L142 WeakPolarHBondContact O-CD1 3.42Å; V14-F144 HydrophobicContact CG1-CB 3.83Å; V14-F144 HydrophobicContact CG1-CD1 4.2Å; V14-F144 HydrophobicContact CG1-CG 4.34Å |
| 15 | E | 96.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 154.7 | 169.9 | -64.9 | -62.4 | 148.7 | 0 | 0 | 111.3 | G17 D18 | E15-G17 PolarHBondContact O-N 3.4Å; E15-D18 PolarHBondContact N-OD2 3.17Å; E15-D18 WeakPolarHBondContact O-CB 3.48Å; E15-D18 PolarHBondContact O-N 3.43Å; E15-D18 VanDerWaalsContact O-N 3.12Å |
| 16 | P | 96.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 121.7 | 178.2 | -25.3 | 34.8 | 0 | 0 | 0 | 113 | L142 Y143 | P16-L142 HydrophobicContact CG-CD1 4.05Å; P16-L142 HydrophobicContact CG-CG 4.35Å; P16-Y143 CarbonylContact C-O 3.48Å; P16-Y143 WeakPolarHBondContact CA-O 3Å |
| 17 | G | 96.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 66.3 Ų | 66.3 | 24% | 0.237 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -0.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E15 Y143 | E15-G17 PolarHBondContact O-N 3.4Å; G17-Y143 PolarHBondContact N-O 3.02Å |
| 18 | D | 97.9 | Very high | 96.4 | Very high | 57 Ų | 57 | 68.5 Ų | 68.5 | 31% | 0.305 | 36% | 0.355 | S | S | . | . | trans | -54.1 | 146 | 176.5 | -84.1 | -8.9 | 0 | 0 | 0 | 112.4 | V14 E15 L20 F144 I145 | V14-D18 HydrophobicContact CG1-CB 4.12Å; E15-D18 PolarHBondContact N-OD2 3.17Å; E15-D18 WeakPolarHBondContact O-CB 3.48Å; E15-D18 PolarHBondContact O-N 3.43Å; E15-D18 VanDerWaalsContact O-N 3.12Å; D18-L20 HydrophobicContact CB-CD2 4.32Å; D18-L20 HydrophobicContact CB-CG 4.48Å; D18-F144 CarbonylContact O-C 3.51Å; D18-F144 WeakPolarHBondContact O-CA 3.38Å; D18-F144 WeakPolarHBondContact O-CB 3.04Å; D18-I145 PolarHBondContact O-N 3.33Å | ||
| 19 | K | 97.8 | Very high | 96.5 | Very high | 152 Ų | 152 | 66.9 Ų | 66.9 | 66% | 0.661 | 35% | 0.347 | S | S | * | . | B | Isolated β-bridge | trans | -97 | 119.1 | 172.1 | -69.1 | 178.3 | -179.3 | 179.1 | 0 | 109.3 | I145 | K19-I145 CarbonylContact C-O 3.43Å; K19-I145 WeakPolarHBondContact CA-O 2.92Å; K19-I145 HydrophobicContact CG-CB 4.24Å; K19-I145 HydrophobicContact CG-CG2 4.45Å |
| 20 | L | 97.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 72.2 Ų | 72.2 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | trans | -117.6 | 139 | -177 | -58 | 179 | 0 | 0 | 0 | 110 | Y9 V14 D18 M24 L25 F144 I145 A146 | Y9-L20 HydrophobicContact CD2-CD1 4.41Å; V14-L20 HydrophobicContact CB-CD1 4.47Å; V14-L20 HydrophobicContact CG1-CD1 3.91Å; V14-L20 HydrophobicContact CG2-CD1 3.66Å; D18-L20 HydrophobicContact CB-CD2 4.32Å; D18-L20 HydrophobicContact CB-CG 4.48Å; L20-M24 HydrophobicContact CB-CE 3.91Å; L20-M24 HydrophobicContact CD2-CE 3.73Å; L20-M24 HydrophobicContact CG-CE 4.42Å; L20-L25 HydrophobicContact CB-CD1 4.05Å; L20-L25 HydrophobicContact CB-CD2 4.2Å; L20-L25 HydrophobicContact CB-CG 4.26Å; L20-L25 HydrophobicContact CD1-CD2 3.78Å; L20-F144 HydrophobicContact CB-CD2 4.44Å; L20-F144 HydrophobicContact CD1-CB 3.99Å; L20-F144 HydrophobicContact CD1-CD1 4.2Å; L20-F144 HydrophobicContact CD1-CD2 3.78Å; L20-F144 HydrophobicContact CD1-CE2 4.29Å; L20-F144 HydrophobicContact CD1-CG 3.73Å; L20-F144 HydrophobicContact CG-CB 4.4Å; L20-F144 HydrophobicContact CG-CD2 4.33Å; L20-F144 HydrophobicContact CG-CG 4.48Å; L20-I145 PolarHBondContact N-O 2.84Å; L20-A146 VanDerWaalsContact O-CB 3.31Å; L20-A146 WeakPolarHBondContact O-CB 3.32Å | ||
| 21 | S | 96 | Very high | 96.7 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | trans | -69.2 | 138.3 | 169.8 | 171.5 | 0 | 0 | 0 | 0 | 109.7 | R23 M24 D149 | S21-R23 PolarHBondContact O-N 3.45Å; S21-R23 PolarHBondContact OG-N 3.19Å; S21-M24 PolarHBondContact O-N 3Å; S21-D149 PolarHBondContact OG-OD1 2.86Å | ||
| 22 | P | 96.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -49.7 | -27.3 | 171.3 | -29 | 35.9 | 0 | 0 | 0 | 114.4 | M24 L25 P92 Q147 D149 | P22-M24 VanDerWaalsContact C-N 3.35Å; P22-M24 PolarHBondContact O-N 3.03Å; P22-L25 PolarHBondContact O-N 3.15Å; P22-L25 VanDerWaalsContact O-N 3.15Å; P22-P92 HydrophobicContact CG-CG 4.46Å; P22-Q147 WeakPolarHBondContact CD-O 3.13Å; P22-Q147 WeakPolarHBondContact CG-O 3.35Å; P22-D149 WeakPolarHBondContact CD-OD1 3.47Å |
| 23 | R | 95.3 | Very high | 96.8 | Very high | 169 Ų | 169 | 62.5 Ų | 62.5 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -62.5 | -39.3 | 178.2 | -65 | 178.1 | -177.3 | -119.4 | 0.7 | 112.9 | S21 L25 D149 | S21-R23 PolarHBondContact O-N 3.45Å; S21-R23 PolarHBondContact OG-N 3.19Å; R23-L25 PolarHBondContact O-N 3.27Å; R23-D149 IonicContact CZ-OD2 3.83Å; R23-D149 IonicContact NE-OD2 2.83Å; R23-D149 PolarHBondContact NE-OD2 3.19Å; R23-D149 IonicContact NH2-OD2 3.71Å |
| 24 | M | 96.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 65 Ų | 65 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -72 | -19.1 | 177.5 | -63.2 | -171.5 | -67.2 | 0 | 0 | 112.3 | Y9 L20 S21 P22 | Y9-M24 WeakPolarHBondContact CD1-O 3.45Å; L20-M24 HydrophobicContact CB-CE 3.91Å; L20-M24 HydrophobicContact CD2-CE 3.73Å; L20-M24 HydrophobicContact CG-CE 4.42Å; S21-M24 PolarHBondContact O-N 3Å; P22-M24 VanDerWaalsContact C-N 3.35Å; P22-M24 PolarHBondContact O-N 3.03Å |
| 25 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -97.6 | 15 | -173.1 | -56.6 | 171.1 | 0 | 0 | 0 | 112.4 | Y9 L20 P22 R23 Y87 S89 P90 F144 A146 | Y9-L25 HydrophobicContact CD1-CD2 3.99Å; Y9-L25 HydrophobicContact CD2-CD2 3.86Å; Y9-L25 HydrophobicContact CE1-CD2 3.76Å; Y9-L25 HydrophobicContact CE2-CD2 3.62Å; Y9-L25 HydrophobicContact CG-CD2 4.03Å; L20-L25 HydrophobicContact CB-CD1 4.05Å; L20-L25 HydrophobicContact CB-CD2 4.2Å; L20-L25 HydrophobicContact CB-CG 4.26Å; L20-L25 HydrophobicContact CD1-CD2 3.78Å; P22-L25 PolarHBondContact O-N 3.15Å; P22-L25 VanDerWaalsContact O-N 3.15Å; R23-L25 PolarHBondContact O-N 3.27Å; L25-Y87 PolarHBondContact O-OH 2.91Å; L25-S89 WeakPolarHBondContact O-CB 3.26Å; L25-P90 HydrophobicContact CB-CB 3.96Å; L25-P90 HydrophobicContact CB-CG 3.92Å; L25-P90 HydrophobicContact CD1-CB 3.59Å; L25-P90 HydrophobicContact CD1-CG 3.9Å; L25-P90 HydrophobicContact CG-CB 4.39Å; L25-P90 HydrophobicContact CG-CG 4.39Å; L25-F144 HydrophobicContact CD1-CD2 4.33Å; L25-F144 HydrophobicContact CD1-CE2 3.57Å; L25-F144 HydrophobicContact CD1-CZ 4.26Å; L25-F144 HydrophobicContact CD2-CD2 4.49Å; L25-F144 HydrophobicContact CD2-CE2 3.73Å; L25-F144 HydrophobicContact CD2-CZ 3.72Å; L25-F144 HydrophobicContact CG-CE2 4.31Å; L25-A146 HydrophobicContact CD1-CB 3.74Å |
| 26 | R | 96.7 | Very high | 96.4 | Very high | 150 Ų | 150 | 63.3 Ų | 63.3 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -65.6 | -39.3 | -177.1 | -176.3 | -177.4 | -58 | -85.4 | -3.4 | 112.3 | ||
| 27 | F | 97.3 | Very high | 96.3 | Very high | 128 Ų | 128 | 65.1 Ų | 65.1 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -112 | 153.2 | -177.5 | -58.4 | -64.6 | 0 | 0 | 0 | 110.7 | Y9 | Y9-F27 WeakPolarHBondContact CD1-O 3.27Å; Y9-F27 WeakPolarHBondContact CE1-O 3.31Å |
| 28 | A | 97.3 | Very high | 96 | Very high | 47 Ų | 47 | 72.3 Ų | 72.3 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 140.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | W64 Y87 | A28-W64 HydrophobicContact CB-CH2 3.79Å; A28-W64 HydrophobicContact CB-CZ2 4.05Å; A28-W64 HydrophobicContact CB-CZ3 4.23Å; A28-Y87 HydrophobicContact CB-CD1 3.94Å; A28-Y87 HydrophobicContact CB-CD2 3.86Å; A28-Y87 HydrophobicContact CB-CE1 4.49Å; A28-Y87 HydrophobicContact CB-CE2 4.41Å; A28-Y87 HydrophobicContact CB-CG 3.59Å |
| 29 | P | 97.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 5% | 0.045 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 154.3 | -179.8 | 29.6 | -32.3 | 0 | 0 | 0 | 111.3 | V7 N8 Y9 I31 W64 | V7-P29 HydrophobicContact CG1-CB 3.57Å; V7-P29 HydrophobicContact CG1-CG 3.77Å; N8-P29 CarbonylContact O-C 3.59Å; N8-P29 VanDerWaalsContact O-CA 3.24Å; N8-P29 WeakPolarHBondContact O-CA 3.37Å; N8-P29 WeakPolarHBondContact O-CB 3.35Å; Y9-P29 HydrophobicContact CD1-CB 3.91Å; Y9-P29 HydrophobicContact CD2-CB 3.87Å; Y9-P29 HydrophobicContact CE1-CB 3.7Å; Y9-P29 VanDerWaalsContact CE1-CD 3.5Å; Y9-P29 HydrophobicContact CE1-CG 3.87Å; Y9-P29 HydrophobicContact CE2-CB 3.66Å; Y9-P29 HydrophobicContact CE2-CG 3.91Å; Y9-P29 HydrophobicContact CG-CB 4Å; Y9-P29 VanDerWaalsContact CZ-CG 3.5Å; Y9-P29 WeakPolarHBondContact OH-CD 2.96Å; P29-I31 HydrophobicContact CG-CD1 4.23Å; P29-I31 HydrophobicContact CG-CG1 4.09Å; P29-I31 PolarHBondContact O-N 3.03Å; P29-W64 HydrophobicContact CG-CZ3 4.18Å |
| 30 | R | 96.6 | Very high | 95.8 | Very high | 118 Ų | 118 | 64.7 Ų | 64.7 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 117 | 161.6 | -176.1 | -178.2 | -179 | 105.7 | -14.3 | 107.8 | N8 T32 D76 | N8-R30 HydrophobicContact CB-CB 4.39Å; N8-R30 PolarHBondContact N-O 3.45Å; N8-R30 PolarHBondContact O-N 3.42Å; R30-T32 HydrophobicContact CG-CG2 4.44Å; R30-D76 IonicContact CZ-OD1 3.98Å; R30-D76 PolarHBondContact NH1-O 3.33Å; R30-D76 PolarHBondContact NH2-O 3.15Å; R30-D76 IonicContact NH2-OD1 2.62Å; R30-D76 PolarHBondContact NH2-OD1 2.98Å; R30-D76 IonicContact NH2-OD2 2.94Å; R30-D76 PolarHBondContact NH2-OD2 3.29Å |
| 31 | I | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.2 | 176.8 | -64 | 175.1 | 0 | 0 | 0 | 109.1 | F5 K6 V7 P29 L43 W64 G77 M78 L103 | F5-I31 HydrophobicContact CB-CG2 4.43Å; F5-I31 HydrophobicContact CD2-CG2 3.78Å; F5-I31 HydrophobicContact CE2-CG2 4.45Å; F5-I31 HydrophobicContact CG-CG2 4.31Å; K6-I31 CarbonylContact O-C 3.47Å; K6-I31 VanDerWaalsContact O-CA 3.29Å; K6-I31 WeakPolarHBondContact O-CA 3.21Å; V7-I31 HydrophobicContact CG2-CG1 4.41Å; P29-I31 HydrophobicContact CG-CD1 4.23Å; P29-I31 HydrophobicContact CG-CG1 4.09Å; P29-I31 PolarHBondContact O-N 3.03Å; I31-L43 HydrophobicContact CD1-CD1 4.04Å; I31-L43 HydrophobicContact CD1-CD2 3.4Å; I31-L43 VanDerWaalsContact CD1-CD2 3.4Å; I31-L43 HydrophobicContact CD1-CG 4.38Å; I31-W64 HydrophobicContact CD1-CE3 4.45Å; I31-W64 HydrophobicContact CD1-CZ3 3.74Å; I31-G77 CarbonylContact O-C 3.56Å; I31-G77 WeakPolarHBondContact O-CA 3.41Å; I31-M78 HydrophobicContact CB-CB 4.43Å; I31-M78 PolarHBondContact O-N 2.87Å; I31-L103 HydrophobicContact CD1-CD2 3.73Å |
| 32 | T | 96.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 20% | 0.202 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.1 | 170 | 72 | 0 | 0 | 0 | 0 | 112.4 | F5 K6 R30 L74 | F5-T32 CarbonylContact C-O 3.6Å; F5-T32 WeakPolarHBondContact CA-O 3.44Å; F5-T32 WeakPolarHBondContact CB-O 3.48Å; K6-T32 PolarHBondContact N-O 3.14Å; K6-T32 PolarHBondContact O-N 3.24Å; R30-T32 HydrophobicContact CG-CG2 4.44Å; T32-L74 CarbonylContact C-O 3.58Å; T32-L74 WeakPolarHBondContact CA-O 3.3Å; T32-L74 WeakPolarHBondContact CB-O 3.47Å |
| 33 | Y | 96.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 60.9 Ų | 60.9 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | trans | -149.1 | 141.3 | -179.4 | -175.8 | -116.7 | 0 | 0 | 0 | 110.2 | N3 F5 A35 Y41 L74 L105 V139 A140 | N3-Y33 HydrophobicContact CB-CE2 3.76Å; F5-Y33 HydrophobicContact CB-CD2 3.8Å; F5-Y33 HydrophobicContact CB-CG 4.32Å; Y33-A35 HydrophobicContact CD1-CB 3.93Å; Y33-A35 PolarHBondContact O-N 2.86Å; Y33-Y41 HydrophobicContact CD1-CE1 4.21Å; Y33-Y41 AromaticContact CE1-CE1 3.82Å; Y33-Y41 HydrophobicContact CE1-CE1 3.82Å; Y33-L74 HydrophobicContact CD1-CD1 4.39Å; Y33-L74 PolarHBondContact N-O 2.96Å; Y33-L105 HydrophobicContact CD1-CD2 3.58Å; Y33-L105 HydrophobicContact CD2-CD2 4.31Å; Y33-L105 HydrophobicContact CE1-CD2 3.98Å; Y33-L105 HydrophobicContact CG-CD2 3.77Å; Y33-V139 HydrophobicContact CE1-CG2 4.24Å; Y33-A140 HydrophobicContact CD2-CB 4.15Å; Y33-A140 HydrophobicContact CE2-CB 3.73Å | ||
| 34 | D | 94.4 | Very high | 96.1 | Very high | 146 Ų | 146 | 52.9 Ų | 52.9 | 78% | 0.781 | 26% | 0.263 | S | S | * | . | trans | -77.1 | 80.4 | 171.1 | -169.2 | 23.3 | 0 | 0 | 0 | 108.6 | ||||
| 35 | A | 93.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | trans | -81.4 | 144.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y33 P37 Y41 A71 L74 F75 | Y33-A35 HydrophobicContact CD1-CB 3.93Å; Y33-A35 PolarHBondContact O-N 2.86Å; A35-P37 VanDerWaalsContact O-CD 3.31Å; A35-P37 WeakPolarHBondContact O-CD 3.39Å; A35-Y41 HydrophobicContact CB-CD2 4.37Å; A35-Y41 HydrophobicContact CB-CE2 3.59Å; A35-A71 HydrophobicContact CB-CB 3.88Å; A35-L74 HydrophobicContact CB-CB 4.24Å; A35-L74 HydrophobicContact CB-CD1 4.18Å; A35-F75 HydrophobicContact CB-CD1 4.5Å; A35-F75 HydrophobicContact CB-CE1 3.82Å; A35-F75 HydrophobicContact CB-CZ 4.45Å; A35-F75 WeakPolarHBondContact O-CE1 3.35Å | ||
| 36 | D | 93.2 | Very high | 96.2 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | trans | -61.1 | 118.4 | 163.5 | -177.9 | -21 | 0 | 0 | 0 | 108.7 | E38 A39 Y41 A71 | D36-E38 PolarHBondContact O-N 3.47Å; D36-E38 VanDerWaalsContact O-N 3.1Å; D36-E38 PolarHBondContact OD1-N 2.96Å; D36-A39 HydrophobicContact CB-CB 3.93Å; D36-A39 PolarHBondContact O-N 3.14Å; D36-Y41 PolarHBondContact N-OH 3.04Å; D36-A71 WeakPolarHBondContact O-CB 3.48Å | ||
| 37 | P | 92.9 | Very high | 96.3 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 66% | 0.662 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.3 | -178.3 | -24.6 | 34.5 | 0 | 0 | 0 | 115 | A35 F75 | A35-P37 VanDerWaalsContact O-CD 3.31Å; A35-P37 WeakPolarHBondContact O-CD 3.39Å; P37-F75 HydrophobicContact CG-CZ 4.41Å |
| 38 | E | 91.8 | Very high | 96.4 | Very high | 175 Ų | 175 | 38.9 Ų | 38.9 | 82% | 0.818 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -10.2 | -179.7 | -58.3 | -163.8 | 134.1 | 0 | 0 | 113 | D36 | D36-E38 PolarHBondContact O-N 3.47Å; D36-E38 VanDerWaalsContact O-N 3.1Å; D36-E38 PolarHBondContact OD1-N 2.96Å |
| 39 | A | 94.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | trans | -92.8 | 162.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D36 Y41 A71 E107 | D36-A39 HydrophobicContact CB-CB 3.93Å; D36-A39 PolarHBondContact O-N 3.14Å; A39-Y41 HydrophobicContact CB-CE2 3.73Å; A39-A71 WeakPolarHBondContact O-CB 3.2Å; A39-A71 PolarHBondContact O-N 2.87Å; A39-E107 HydrophobicContact CB-CG 3.57Å | ||
| 40 | I | 95.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 37.8 Ų | 37.8 | 22% | 0.221 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.1 | 170.7 | -52.3 | 176.3 | 0 | 0 | 0 | 107.5 | N68 I69 E107 H108 | I40-N68 VanDerWaalsContact CG2-C 3.41Å; I40-N68 HydrophobicContact CG2-CB 4.2Å; I40-I69 WeakPolarHBondContact CA-O 3.24Å; I40-I69 WeakPolarHBondContact CG2-O 3.42Å; I40-E107 CarbonylContact O-C 3.54Å; I40-H108 WeakPolarHBondContact CA-O 3.47Å; I40-H108 VanDerWaalsContact CB-O 3.32Å; I40-H108 WeakPolarHBondContact CB-O 3.35Å; I40-H108 VanDerWaalsContact CG2-CE1 3.44Å; I40-H108 WeakPolarHBondContact CG2-CE1 3.14Å; I40-H108 PolarHBondContact N-O 2.9Å; I40-H108 PolarHBondContact O-CD2 3.05Å; I40-H108 PolarHBondContact O-N 2.83Å; I40-H108 PolarHBondContact O-NE2 3.01Å; I40-H108 VanDerWaalsContact O-O 3.06Å |
| 41 | Y | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 160.4 | -174.5 | -64.5 | -92.2 | 0 | 0 | 0 | 112.6 | Y33 A35 D36 A39 N68 I69 A71 L74 L105 Y106 E107 H108 V139 | Y33-Y41 HydrophobicContact CD1-CE1 4.21Å; Y33-Y41 AromaticContact CE1-CE1 3.82Å; Y33-Y41 HydrophobicContact CE1-CE1 3.82Å; A35-Y41 HydrophobicContact CB-CD2 4.37Å; A35-Y41 HydrophobicContact CB-CE2 3.59Å; D36-Y41 PolarHBondContact N-OH 3.04Å; A39-Y41 HydrophobicContact CB-CE2 3.73Å; Y41-N68 CarbonylContact O-C 3.52Å; Y41-N68 PolarHBondContact O-N 2.9Å; Y41-N68 VanDerWaalsContact O-N 3.08Å; Y41-I69 PolarHBondContact N-O 3.36Å; Y41-I69 PolarHBondContact O-N 3.12Å; Y41-A71 HydrophobicContact CD2-CB 4.47Å; Y41-A71 HydrophobicContact CE2-CB 3.99Å; Y41-L74 HydrophobicContact CD1-CD1 4.22Å; Y41-L74 HydrophobicContact CD2-CD1 3.58Å; Y41-L74 HydrophobicContact CE2-CD1 4.25Å; Y41-L74 HydrophobicContact CG-CD1 3.57Å; Y41-L105 HydrophobicContact CD1-CD1 4.42Å; Y41-L105 HydrophobicContact CD1-CD2 3.82Å; Y41-L105 HydrophobicContact CD1-CG 3.9Å; Y41-L105 HydrophobicContact CE1-CD2 4.38Å; Y41-L105 HydrophobicContact CG-CD2 4.47Å; Y41-Y106 CarbonylContact C-O 3.59Å; Y41-Y106 WeakPolarHBondContact CA-O 3.33Å; Y41-Y106 WeakPolarHBondContact CD1-O 3.35Å; Y41-E107 HydrophobicContact CD1-CB 3.94Å; Y41-E107 HydrophobicContact CD1-CG 4.21Å; Y41-E107 HydrophobicContact CE1-CB 3.56Å; Y41-E107 HydrophobicContact CE1-CG 3.55Å; Y41-E107 WeakPolarHBondContact CE1-OE2 3.31Å; Y41-E107 PolarHBondContact OH-OE2 2.86Å; Y41-H108 PolarHBondContact O-NE2 3.48Å; Y41-V139 HydrophobicContact CD1-CG2 4.3Å; Y41-V139 HydrophobicContact CE1-CG2 4.03Å |
| 42 | S | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.4 | 169.8 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | V66 V67 Y106 H108 | S42-V66 CarbonylContact C-O 3.6Å; S42-V66 WeakPolarHBondContact CA-O 3.47Å; S42-V67 WeakPolarHBondContact OG-CA 3.28Å; S42-Y106 PolarHBondContact N-O 3.04Å; S42-Y106 PolarHBondContact O-N 2.83Å; S42-H108 PolarHBondContact OG-NE2 2.88Å; S42-H108 VanDerWaalsContact OG-NE2 3.08Å |
| 43 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.3 | 179.2 | -180 | 75.8 | 0 | 0 | 0 | 110.2 | F5 I31 W64 V66 I69 M78 L103 V104 L105 | F5-L43 HydrophobicContact CE2-CD1 3.63Å; F5-L43 HydrophobicContact CZ-CD1 4.44Å; I31-L43 HydrophobicContact CD1-CD1 4.04Å; I31-L43 HydrophobicContact CD1-CD2 3.4Å; I31-L43 VanDerWaalsContact CD1-CD2 3.4Å; I31-L43 HydrophobicContact CD1-CG 4.38Å; L43-W64 HydrophobicContact CD2-CD2 4.14Å; L43-W64 HydrophobicContact CD2-CE3 3.59Å; L43-W64 HydrophobicContact CD2-CH2 4.44Å; L43-W64 HydrophobicContact CD2-CZ3 3.75Å; L43-V66 PolarHBondContact N-O 2.96Å; L43-V66 PolarHBondContact O-N 3.31Å; L43-I69 HydrophobicContact CB-CD1 3.89Å; L43-M78 HydrophobicContact CB-SD 4.34Å; L43-M78 HydrophobicContact CD2-CE 4.05Å; L43-M78 HydrophobicContact CD2-SD 3.78Å; L43-L103 HydrophobicContact CD1-CD2 4.48Å; L43-V104 WeakPolarHBondContact CA-O 3.43Å; L43-L105 HydrophobicContact CB-CD1 4.22Å; L43-L105 HydrophobicContact CD1-CD1 4.3Å |
| 44 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.9 | 169.7 | -164.3 | 0 | 0 | 0 | 0 | 109.2 | I46 L62 W64 L65 L103 V104 Y106 F124 V126 F129 | V44-I46 HydrophobicContact CG1-CG2 3.92Å; V44-L62 HydrophobicContact CG1-CD1 3.68Å; V44-W64 WeakPolarHBondContact CA-O 3.44Å; V44-L65 HydrophobicContact CG1-CD1 4.48Å; V44-L65 HydrophobicContact CG2-CD1 3.81Å; V44-L103 CarbonylContact O-C 3.51Å; V44-L103 WeakPolarHBondContact O-CA 3.36Å; V44-V104 HydrophobicContact CB-CG2 3.85Å; V44-V104 HydrophobicContact CG2-CG2 4.34Å; V44-V104 PolarHBondContact N-O 2.86Å; V44-V104 PolarHBondContact O-N 2.88Å; V44-Y106 HydrophobicContact CG2-CD2 4.4Å; V44-Y106 HydrophobicContact CG2-CE2 4.1Å; V44-F124 HydrophobicContact CG1-CE1 3.82Å; V44-F124 HydrophobicContact CG1-CZ 4.47Å; V44-V126 HydrophobicContact CB-CG2 4.22Å; V44-V126 HydrophobicContact CG1-CG2 4.07Å; V44-V126 HydrophobicContact CG2-CG2 4.3Å; V44-F129 HydrophobicContact CG2-CD1 4.09Å; V44-F129 HydrophobicContact CG2-CE1 3.84Å |
| 45 | M | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.2 | 168.3 | -176 | -176.5 | 175.3 | 0 | 0 | 109.8 | H63 W64 Y87 P90 Y101 V102 L103 F144 | M45-H63 HydrophobicContact CB-CB 4.08Å; M45-H63 HydrophobicContact CE-CB 4.28Å; M45-H63 HydrophobicContact CG-CB 3.74Å; M45-H63 WeakPolarHBondContact O-CB 3.24Å; M45-H63 PolarHBondContact O-N 2.86Å; M45-H63 HydrophobicContact SD-CB 3.84Å; M45-W64 HydrophobicContact CB-CB 3.71Å; M45-W64 PolarHBondContact N-O 2.76Å; M45-W64 PolarHBondContact O-N 3.38Å; M45-W64 VanDerWaalsContact O-N 3.17Å; M45-Y87 HydrophobicContact CE-CE2 4.21Å; M45-Y87 HydrophobicContact SD-CD2 4.15Å; M45-Y87 HydrophobicContact SD-CE2 3.67Å; M45-P90 HydrophobicContact CE-CG 3.79Å; M45-Y101 HydrophobicContact CE-CD1 3.99Å; M45-Y101 HydrophobicContact CE-CG 4.18Å; M45-V102 CarbonylContact C-O 3.49Å; M45-V102 VanDerWaalsContact CA-O 3.25Å; M45-V102 WeakPolarHBondContact CA-O 3.23Å; M45-L103 HydrophobicContact CB-CD2 4.46Å; M45-L103 HydrophobicContact CB-CG 4.05Å; M45-L103 HydrophobicContact CE-CD1 4.48Å; M45-L103 HydrophobicContact CG-CD1 4.17Å; M45-L103 HydrophobicContact CG-CD2 4.42Å; M45-L103 HydrophobicContact CG-CG 3.83Å; M45-L103 HydrophobicContact SD-CD1 4.4Å; M45-L103 HydrophobicContact SD-CD2 4.38Å; M45-L103 HydrophobicContact SD-CG 4.3Å; M45-F144 HydrophobicContact CE-CE1 4.15Å; M45-F144 HydrophobicContact CE-CZ 3.72Å |
| 46 | I | 98.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 156 | -178.6 | 58.3 | 169.9 | 0 | 0 | 0 | 112.8 | V44 E60 W61 L62 Y101 V102 F124 V126 | V44-I46 HydrophobicContact CG1-CG2 3.92Å; I46-E60 HydrophobicContact CB-CB 4.08Å; I46-E60 HydrophobicContact CD1-CB 4.08Å; I46-E60 HydrophobicContact CD1-CG 3.83Å; I46-E60 WeakPolarHBondContact CD1-OE2 3.32Å; I46-E60 HydrophobicContact CG2-CB 4.15Å; I46-W61 CarbonylContact C-O 3.02Å; I46-W61 VanDerWaalsContact CA-O 3.25Å; I46-W61 WeakPolarHBondContact CA-O 3.35Å; I46-L62 HydrophobicContact CG2-CD1 4.14Å; I46-Y101 WeakPolarHBondContact O-CA 3.4Å; I46-V102 HydrophobicContact CG1-CB 4.02Å; I46-V102 PolarHBondContact N-O 3.35Å; I46-V102 PolarHBondContact O-N 3.19Å; I46-F124 HydrophobicContact CG2-CD1 4.08Å; I46-V126 HydrophobicContact CD1-CB 4.25Å; I46-V126 HydrophobicContact CD1-CG1 3.91Å |
| 47 | D | 98.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 105.3 | 163.9 | 170.9 | 5.3 | 0 | 0 | 0 | 108.6 | D49 N50 W61 H63 H99 R100 Y101 | D47-D49 PolarHBondContact O-N 3Å; D47-D49 WeakPolarHBondContact OD1-CA 3.47Å; D47-D49 WeakPolarHBondContact OD1-CB 3.32Å; D47-D49 PolarHBondContact OD1-N 2.87Å; D47-N50 PolarHBondContact OD1-N 3.15Å; D47-W61 HydrophobicContact CB-CB 4.21Å; D47-W61 PolarHBondContact N-O 2.8Å; D47-W61 PolarHBondContact O-N 2.83Å; D47-H63 WeakPolarHBondContact CB-NE2 3.36Å; D47-H99 IonicContact OD1-CG 3.04Å; D47-H99 IonicContact OD1-ND1 3.75Å; D47-H99 PolarHBondContact OD1-ND1 2.62Å; D47-H99 IonicContact OD2-CE1 3.93Å; D47-H99 IonicContact OD2-CG 3.94Å; D47-H99 IonicContact OD2-ND1 3.75Å; D47-H99 PolarHBondContact OD2-ND1 2.86Å; D47-R100 WeakPolarHBondContact CA-O 3.23Å; D47-Y101 HydrophobicContact CB-CD1 4.01Å; D47-Y101 HydrophobicContact CB-CE1 3.82Å |
| 48 | P | 98.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 45.3 Ų | 45.3 | 20% | 0.195 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.4 | 178.8 | 34.6 | -33.4 | 0 | 0 | 0 | 113 | A59 E60 R100 V102 | P48-A59 WeakPolarHBondContact O-CB 3.49Å; P48-E60 HydrophobicContact CB-CG 4.47Å; P48-R100 WeakPolarHBondContact CD-O 3.4Å; P48-R100 HydrophobicContact CG-CB 4.24Å; P48-V102 HydrophobicContact CG-CG2 4.32Å |
| 49 | D | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -3.4 | -173.5 | -60.8 | -26.6 | 0 | 0 | 0 | 112.4 | D47 L51 S52 R53 H99 R100 | D47-D49 PolarHBondContact O-N 3Å; D47-D49 WeakPolarHBondContact OD1-CA 3.47Å; D47-D49 WeakPolarHBondContact OD1-CB 3.32Å; D47-D49 PolarHBondContact OD1-N 2.87Å; D49-L51 CarbonylContact O-C 3.58Å; D49-S52 CarbonylContact O-C 3.59Å; D49-S52 WeakPolarHBondContact O-CA 3.44Å; D49-S52 PolarHBondContact O-N 3.34Å; D49-R53 HydrophobicContact CB-CG 3.61Å; D49-R53 PolarHBondContact O-N 3.27Å; D49-R53 WeakPolarHBondContact OD1-CG 3.5Å; D49-R53 IonicContact OD1-NE 3.98Å; D49-R53 WeakPolarHBondContact OD2-CG 3.28Å; D49-R53 IonicContact OD2-CZ 3.35Å; D49-R53 IonicContact OD2-NE 3.16Å; D49-R53 PolarHBondContact OD2-NE 3.36Å; D49-R53 IonicContact OD2-NH2 2.69Å; D49-H99 HydrophobicContact CB-CB 4.3Å; D49-H99 WeakPolarHBondContact OD2-CA 3.43Å; D49-R100 IonicContact OD1-CZ 2.8Å; D49-R100 IonicContact OD1-NE 3.13Å; D49-R100 PolarHBondContact OD1-NE 3.48Å; D49-R100 VanDerWaalsContact OD1-NE 3.16Å; D49-R100 IonicContact OD1-NH2 3.35Å; D49-R100 PolarHBondContact OD1-NH2 2.91Å; D49-R100 WeakPolarHBondContact OD2-CB 3.06Å; D49-R100 WeakPolarHBondContact OD2-CG 3.45Å; D49-R100 PolarHBondContact OD2-N 2.83Å; D49-R100 IonicContact OD2-NE 3.8Å; D49-R100 PolarHBondContact OD2-NE 3.16Å; D49-R100 VanDerWaalsContact OD2-NE 3.13Å |
| 50 | N | 97.5 | Very high | 97.6 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -74.3 | 127.2 | -174.4 | -156.7 | -36.2 | 0 | 0 | 0 | 112.3 | D47 P56 S57 V58 A59 W61 | D47-N50 PolarHBondContact OD1-N 3.15Å; N50-P56 CarbonylContact O-C 3.37Å; N50-P56 WeakPolarHBondContact O-CA 3.43Å; N50-S57 PolarHBondContact O-N 2.84Å; N50-V58 VanDerWaalsContact C-CG2 3.45Å; N50-V58 HydrophobicContact CB-CG2 3.72Å; N50-V58 VanDerWaalsContact CG-CG2 3.48Å; N50-V58 CarbonylContact O-C 3.48Å; N50-V58 VanDerWaalsContact O-CG2 3.28Å; N50-V58 WeakPolarHBondContact O-CG2 3.44Å; N50-V58 PolarHBondContact O-N 2.82Å; N50-V58 WeakPolarHBondContact OD1-CG2 3.41Å; N50-A59 PolarHBondContact O-N 3.35Å; N50-W61 HydrophobicContact CB-CB 3.8Å |
| 51 | L | 96.5 | Very high | 97.7 | Very high | 91 Ų | 91 | 40.9 Ų | 40.9 | 48% | 0.476 | 21% | 0.207 | S | C | . | . | S | Bend | cis | -79.6 | -29.7 | 12.1 | -66.7 | 174.3 | 0 | 0 | 0 | 115.5 | D49 N55 S57 V58 T96 H99 | D49-L51 CarbonylContact O-C 3.58Å; L51-N55 PolarHBondContact N-O 3.31Å; L51-S57 WeakPolarHBondContact CD1-OG 3.5Å; L51-V58 HydrophobicContact CD2-CG2 4.01Å; L51-V58 HydrophobicContact CG-CG1 4.47Å; L51-V58 HydrophobicContact CG-CG2 4.04Å; L51-T96 VanDerWaalsContact O-CB 3.31Å; L51-T96 WeakPolarHBondContact O-CB 3.22Å; L51-T96 VanDerWaalsContact O-CG2 3.27Å; L51-T96 WeakPolarHBondContact O-CG2 3.35Å; L51-H99 PolarHBondContact O-CE1 2.83Å; L51-H99 PolarHBondContact O-NE2 2.89Å |
| 52 | S | 97.2 | Very high | 97.8 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -155 | 159.5 | 167.9 | 64 | 0 | 0 | 0 | 0 | 110.2 | D49 K54 N55 P56 T96 | D49-S52 CarbonylContact O-C 3.59Å; D49-S52 WeakPolarHBondContact O-CA 3.44Å; D49-S52 PolarHBondContact O-N 3.34Å; S52-K54 PolarHBondContact O-N 2.83Å; S52-N55 PolarHBondContact N-O 2.85Å; S52-N55 CarbonylContact O-C 3.49Å; S52-N55 WeakPolarHBondContact O-CA 3.4Å; S52-N55 PolarHBondContact O-N 3.31Å; S52-N55 PolarHBondContact OG-N 3.24Å; S52-P56 WeakPolarHBondContact O-CA 3.49Å; S52-P56 WeakPolarHBondContact O-CD 3.47Å; S52-T96 WeakPolarHBondContact CB-O 3.32Å |
| 53 | R | 95.5 | Very high | 97.9 | Very high | 102 Ų | 102 | 41.2 Ų | 41.2 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -32.6 | 175.6 | -79.9 | -172.9 | -174.5 | 170.6 | 21.5 | 113.7 | D49 Q98 | D49-R53 HydrophobicContact CB-CG 3.61Å; D49-R53 PolarHBondContact O-N 3.27Å; D49-R53 WeakPolarHBondContact OD1-CG 3.5Å; D49-R53 IonicContact OD1-NE 3.98Å; D49-R53 WeakPolarHBondContact OD2-CG 3.28Å; D49-R53 IonicContact OD2-CZ 3.35Å; D49-R53 IonicContact OD2-NE 3.16Å; D49-R53 PolarHBondContact OD2-NE 3.36Å; D49-R53 IonicContact OD2-NH2 2.69Å; R53-Q98 VanDerWaalsContact CD-O 3.24Å; R53-Q98 WeakPolarHBondContact CD-O 3.29Å; R53-Q98 WeakPolarHBondContact CG-O 3.21Å; R53-Q98 PolarHBondContact NE-O 3.17Å |
| 54 | K | 96.8 | Very high | 97.9 | Very high | 208 Ų | 208 | 42.2 Ų | 42.2 | 90% | 0.904 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -24.6 | 178.6 | -63.8 | -177.9 | -178.8 | 176.7 | 0 | 112.7 | S52 | S52-K54 PolarHBondContact O-N 2.83Š|
| 55 | N | 96.9 | Very high | 97.9 | Very high | 93 Ų | 93 | 42.2 Ų | 42.2 | 50% | 0.497 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -145.1 | 75.9 | 178.5 | -176.7 | 18.2 | 0 | 0 | 0 | 110.7 | L51 S52 S57 | L51-N55 PolarHBondContact N-O 3.31Å; S52-N55 PolarHBondContact N-O 2.85Å; S52-N55 CarbonylContact O-C 3.49Å; S52-N55 WeakPolarHBondContact O-CA 3.4Å; S52-N55 PolarHBondContact O-N 3.31Å; S52-N55 PolarHBondContact OG-N 3.24Å; N55-S57 PolarHBondContact O-N 3.02Å |
| 56 | P | 97.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | trans | -80.2 | 51.9 | -176 | 33.9 | -37 | 0 | 0 | 0 | 111.5 | N50 S52 V58 A59 | N50-P56 CarbonylContact O-C 3.37Å; N50-P56 WeakPolarHBondContact O-CA 3.43Å; S52-P56 WeakPolarHBondContact O-CA 3.49Å; S52-P56 WeakPolarHBondContact O-CD 3.47Å; P56-V58 PolarHBondContact O-N 2.73Å; P56-A59 HydrophobicContact CB-CB 3.82Å; P56-A59 WeakPolarHBondContact O-CB 3.16Å; P56-A59 PolarHBondContact O-N 2.73Å; P56-A59 VanDerWaalsContact O-N 3.15Å | ||
| 57 | S | 97.5 | Very high | 97.8 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.9 | -169 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | N50 L51 N55 K123 | N50-S57 PolarHBondContact O-N 2.84Å; L51-S57 WeakPolarHBondContact CD1-OG 3.5Å; N55-S57 PolarHBondContact O-N 3.02Å; S57-K123 VanDerWaalsContact O-CE 3.3Å; S57-K123 WeakPolarHBondContact O-CE 3.44Å |
| 58 | V | 97.1 | Very high | 97.8 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 17% | 0.17 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 11 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | N50 L51 P56 E60 W61 A122 K123 | N50-V58 VanDerWaalsContact C-CG2 3.45Å; N50-V58 HydrophobicContact CB-CG2 3.72Å; N50-V58 VanDerWaalsContact CG-CG2 3.48Å; N50-V58 CarbonylContact O-C 3.48Å; N50-V58 VanDerWaalsContact O-CG2 3.28Å; N50-V58 WeakPolarHBondContact O-CG2 3.44Å; N50-V58 PolarHBondContact O-N 2.82Å; N50-V58 WeakPolarHBondContact OD1-CG2 3.41Å; L51-V58 HydrophobicContact CD2-CG2 4.01Å; L51-V58 HydrophobicContact CG-CG1 4.47Å; L51-V58 HydrophobicContact CG-CG2 4.04Å; P56-V58 PolarHBondContact O-N 2.73Å; V58-E60 CarbonylContact O-C 3.59Å; V58-W61 HydrophobicContact CB-CE3 4.26Å; V58-W61 HydrophobicContact CG2-CE3 3.86Å; V58-W61 HydrophobicContact CG2-CZ3 4.27Å; V58-A122 HydrophobicContact CB-CB 4.01Å; V58-A122 HydrophobicContact CG1-CB 4.45Å; V58-K123 PolarHBondContact O-N 2.8Å |
| 59 | A | 97.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 145.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P48 N50 P56 K125 | P48-A59 WeakPolarHBondContact O-CB 3.49Å; N50-A59 PolarHBondContact O-N 3.35Å; P56-A59 HydrophobicContact CB-CB 3.82Å; P56-A59 WeakPolarHBondContact O-CB 3.16Å; P56-A59 PolarHBondContact O-N 2.73Å; P56-A59 VanDerWaalsContact O-N 3.15Å; A59-K125 PolarHBondContact O-NZ 3.13Å |
| 60 | E | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 43 Ų | 43 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | S | Bend | cis | -83.1 | 134.3 | -4 | -59.5 | 155.5 | -172.9 | 0 | 0 | 108.7 | I46 P48 V58 K123 F124 V126 | I46-E60 HydrophobicContact CB-CB 4.08Å; I46-E60 HydrophobicContact CD1-CB 4.08Å; I46-E60 HydrophobicContact CD1-CG 3.83Å; I46-E60 WeakPolarHBondContact CD1-OE2 3.32Å; I46-E60 HydrophobicContact CG2-CB 4.15Å; P48-E60 HydrophobicContact CB-CG 4.47Å; V58-E60 CarbonylContact O-C 3.59Å; E60-K123 PolarHBondContact O-N 3.24Å; E60-F124 WeakPolarHBondContact CB-O 3.32Å; E60-F124 PolarHBondContact N-O 3.21Å; E60-F124 VanDerWaalsContact N-O 3.13Å; E60-F124 WeakPolarHBondContact O-CB 3.13Å; E60-F124 PolarHBondContact O-N 3.33Å; E60-V126 VanDerWaalsContact OE2-CB 3.32Å; E60-V126 WeakPolarHBondContact OE2-CB 3.46Å; E60-V126 VanDerWaalsContact OE2-CG1 3.31Å; E60-V126 WeakPolarHBondContact OE2-CG1 3.49Å; E60-V126 PolarHBondContact OE2-N 3.5Å |
| 61 | W | 98.7 | Very high | 97.4 | Very high | 76 Ų | 76 | 41.8 Ų | 41.8 | 29% | 0.288 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 119.2 | 174.9 | -174.9 | -86.1 | 0 | 0 | 0 | 109.8 | I46 D47 N50 V58 H63 R121 A122 | I46-W61 CarbonylContact C-O 3.02Å; I46-W61 VanDerWaalsContact CA-O 3.25Å; I46-W61 WeakPolarHBondContact CA-O 3.35Å; D47-W61 HydrophobicContact CB-CB 4.21Å; D47-W61 PolarHBondContact N-O 2.8Å; D47-W61 PolarHBondContact O-N 2.83Å; N50-W61 HydrophobicContact CB-CB 3.8Å; V58-W61 HydrophobicContact CB-CE3 4.26Å; V58-W61 HydrophobicContact CG2-CE3 3.86Å; V58-W61 HydrophobicContact CG2-CZ3 4.27Å; W61-H63 AromaticContact CD1-CD2 3.61Å; W61-H63 AromaticContact CD1-CE1 3.97Å; W61-H63 AromaticContact CD1-NE2 3.37Å; W61-H63 PolarHBondContact O-CD2 2.92Å; W61-H63 PolarHBondContact O-N 2.85Å; W61-R121 WeakPolarHBondContact CA-O 3.37Å; W61-R121 HydrophobicContact CD2-CB 3.85Å; W61-R121 HydrophobicContact CE3-CB 4.35Å; W61-R121 HydrophobicContact CG-CB 4.3Å; W61-R121 HydrophobicContact CH2-CB 4.27Å; W61-R121 HydrophobicContact CZ2-CB 3.76Å; W61-R121 HydrophobicContact CZ2-CG 4.35Å; W61-A122 HydrophobicContact CE3-CB 3.96Å; W61-A122 HydrophobicContact CZ3-CB 3.82Å |
| 62 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 104.7 | -177.7 | -173.7 | 64.1 | 0 | 0 | 0 | 111.4 | V44 I46 L65 M85 P118 R121 F124 | V44-L62 HydrophobicContact CG1-CD1 3.68Å; I46-L62 HydrophobicContact CG2-CD1 4.14Å; L62-L65 HydrophobicContact CD1-CB 4.18Å; L62-L65 HydrophobicContact CD2-CB 4.03Å; L62-L65 HydrophobicContact CD2-CD2 4.24Å; L62-L65 HydrophobicContact CG-CB 4.41Å; L62-M85 HydrophobicContact CD2-CB 3.74Å; L62-M85 HydrophobicContact CD2-CE 4.49Å; L62-M85 HydrophobicContact CD2-CG 3.92Å; L62-M85 HydrophobicContact CG-CB 4.17Å; L62-M85 HydrophobicContact CG-CG 4.01Å; L62-P118 HydrophobicContact CD2-CB 4.34Å; L62-P118 HydrophobicContact CD2-CG 3.98Å; L62-R121 HydrophobicContact CB-CB 4.45Å; L62-R121 PolarHBondContact N-O 2.88Å; L62-R121 WeakPolarHBondContact O-CD 3.14Å; L62-R121 WeakPolarHBondContact O-CG 3.45Å; L62-R121 PolarHBondContact O-NH1 2.79Å; L62-F124 HydrophobicContact CB-CB 3.88Å; L62-F124 HydrophobicContact CB-CD2 4.48Å; L62-F124 HydrophobicContact CB-CG 4.07Å; L62-F124 HydrophobicContact CD1-CD1 3.85Å; L62-F124 HydrophobicContact CD1-CD2 4.39Å; L62-F124 HydrophobicContact CD1-CE1 3.95Å; L62-F124 HydrophobicContact CD1-CE2 4.48Å; L62-F124 HydrophobicContact CD1-CG 4.06Å; L62-F124 HydrophobicContact CD1-CZ 4.27Å; L62-F124 HydrophobicContact CD2-CD2 3.81Å; L62-F124 HydrophobicContact CD2-CE2 4.03Å; L62-F124 HydrophobicContact CD2-CG 4.18Å; L62-F124 HydrophobicContact CG-CD2 4.47Å; L62-F124 HydrophobicContact CG-CG 4.34Å |
| 63 | H | 98.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -41.4 | 175.9 | -81.8 | -90.7 | 0 | 0 | 0 | 111.9 | M45 D47 W61 Y87 G88 Y101 R121 | M45-H63 HydrophobicContact CB-CB 4.08Å; M45-H63 HydrophobicContact CE-CB 4.28Å; M45-H63 HydrophobicContact CG-CB 3.74Å; M45-H63 WeakPolarHBondContact O-CB 3.24Å; M45-H63 PolarHBondContact O-N 2.86Å; M45-H63 HydrophobicContact SD-CB 3.84Å; D47-H63 WeakPolarHBondContact CB-NE2 3.36Å; W61-H63 AromaticContact CD1-CD2 3.61Å; W61-H63 AromaticContact CD1-CE1 3.97Å; W61-H63 AromaticContact CD1-NE2 3.37Å; W61-H63 PolarHBondContact O-CD2 2.92Å; W61-H63 PolarHBondContact O-N 2.85Å; H63-Y87 CarbonylContact O-C 3.59Å; H63-Y87 VanDerWaalsContact O-CA 3.32Å; H63-Y87 WeakPolarHBondContact O-CA 3.25Å; H63-G88 PolarHBondContact ND1-O 2.83Å; H63-G88 PolarHBondContact O-N 3.38Å; H63-Y101 AromaticContact CE1-CE1 3.61Å; H63-Y101 AromaticContact NE2-CD1 3.84Å; H63-Y101 AromaticContact NE2-CE1 3.4Å; H63-Y101 WeakPolarHBondContact NE2-CE1 3.31Å; H63-R121 PolarHBondContact O-NH1 3.37Å |
| 64 | W | 98.7 | Very high | 97.3 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 135.4 | -176.7 | -154.6 | 7.5 | 0 | 0 | 0 | 110.4 | A28 P29 I31 L43 V44 M45 V66 M78 M85 Y87 | A28-W64 HydrophobicContact CB-CH2 3.79Å; A28-W64 HydrophobicContact CB-CZ2 4.05Å; A28-W64 HydrophobicContact CB-CZ3 4.23Å; P29-W64 HydrophobicContact CG-CZ3 4.18Å; I31-W64 HydrophobicContact CD1-CE3 4.45Å; I31-W64 HydrophobicContact CD1-CZ3 3.74Å; L43-W64 HydrophobicContact CD2-CD2 4.14Å; L43-W64 HydrophobicContact CD2-CE3 3.59Å; L43-W64 HydrophobicContact CD2-CH2 4.44Å; L43-W64 HydrophobicContact CD2-CZ3 3.75Å; V44-W64 WeakPolarHBondContact CA-O 3.44Å; M45-W64 HydrophobicContact CB-CB 3.71Å; M45-W64 PolarHBondContact N-O 2.76Å; M45-W64 PolarHBondContact O-N 3.38Å; M45-W64 VanDerWaalsContact O-N 3.17Å; W64-V66 HydrophobicContact CD2-CG2 4.33Å; W64-V66 HydrophobicContact CG-CG2 4.31Å; W64-V66 HydrophobicContact CZ2-CG2 4.33Å; W64-M78 HydrophobicContact CD2-CE 4.49Å; W64-M78 HydrophobicContact CH2-CE 3.24Å; W64-M78 HydrophobicContact CZ2-CE 3.08Å; W64-M78 HydrophobicContact CZ3-CE 4.01Å; W64-M85 VanDerWaalsContact CD1-O 3.23Å; W64-Y87 HydrophobicContact CB-CD2 4.4Å; W64-Y87 VanDerWaalsContact CD1-N 3.33Å; W64-Y87 AromaticContact CD2-CD2 3.99Å; W64-Y87 HydrophobicContact CD2-CD2 3.99Å; W64-Y87 AromaticContact CE3-CD2 3.85Å; W64-Y87 HydrophobicContact CE3-CD2 3.85Å; W64-Y87 HydrophobicContact CG-CD2 4.27Å; W64-Y87 HydrophobicContact CZ3-CD2 4.4Å |
| 65 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 112.3 | 170.3 | -178.9 | 59.3 | 0 | 0 | 0 | 109 | V44 L62 V67 L84 M85 P118 F124 F129 | V44-L65 HydrophobicContact CG1-CD1 4.48Å; V44-L65 HydrophobicContact CG2-CD1 3.81Å; L62-L65 HydrophobicContact CD1-CB 4.18Å; L62-L65 HydrophobicContact CD2-CB 4.03Å; L62-L65 HydrophobicContact CD2-CD2 4.24Å; L62-L65 HydrophobicContact CG-CB 4.41Å; L65-V67 HydrophobicContact CD1-CG1 3.87Å; L65-V67 HydrophobicContact CG-CG1 4.13Å; L65-L84 HydrophobicContact CB-CB 4.39Å; L65-L84 HydrophobicContact CD2-CB 3.87Å; L65-L84 HydrophobicContact CD2-CD1 4.01Å; L65-L84 HydrophobicContact CG-CB 4Å; L65-L84 HydrophobicContact CG-CD1 4.36Å; L65-L84 PolarHBondContact O-N 2.85Å; L65-M85 HydrophobicContact CB-CB 3.84Å; L65-M85 PolarHBondContact N-O 2.86Å; L65-M85 PolarHBondContact O-N 2.88Å; L65-M85 VanDerWaalsContact O-N 3.13Å; L65-P118 HydrophobicContact CD2-CG 4.06Å; L65-F124 HydrophobicContact CD2-CE2 4.47Å; L65-F129 HydrophobicContact CD1-CE1 4.27Å; L65-F129 HydrophobicContact CD1-CE2 4.25Å; L65-F129 HydrophobicContact CD1-CZ 3.93Å |
| 66 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.7 | 174.1 | -170.5 | 0 | 0 | 0 | 0 | 107.5 | S42 L43 W64 I69 M78 Q82 V83 | S42-V66 CarbonylContact C-O 3.6Å; S42-V66 WeakPolarHBondContact CA-O 3.47Å; L43-V66 PolarHBondContact N-O 2.96Å; L43-V66 PolarHBondContact O-N 3.31Å; W64-V66 HydrophobicContact CD2-CG2 4.33Å; W64-V66 HydrophobicContact CG-CG2 4.31Å; W64-V66 HydrophobicContact CZ2-CG2 4.33Å; V66-I69 HydrophobicContact CB-CD1 4.17Å; V66-I69 HydrophobicContact CB-CG1 4.35Å; V66-I69 HydrophobicContact CG1-CD1 4.06Å; V66-I69 HydrophobicContact CG1-CG1 3.71Å; V66-M78 HydrophobicContact CB-CE 4.12Å; V66-M78 HydrophobicContact CB-SD 4.37Å; V66-M78 HydrophobicContact CG1-CE 4.26Å; V66-M78 HydrophobicContact CG1-SD 4.43Å; V66-M78 HydrophobicContact CG2-CE 3.69Å; V66-Q82 WeakPolarHBondContact CA-O 3.19Å; V66-V83 HydrophobicContact CG1-CG2 4.3Å; V66-V83 HydrophobicContact CG2-CG2 4.09Å |
| 67 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 161.6 | -177.1 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | S42 L65 I69 Q82 L84 V113 F129 | S42-V67 WeakPolarHBondContact OG-CA 3.28Å; L65-V67 HydrophobicContact CD1-CG1 3.87Å; L65-V67 HydrophobicContact CG-CG1 4.13Å; V67-I69 VanDerWaalsContact C-N 3.31Å; V67-I69 PolarHBondContact O-N 3.36Å; V67-Q82 HydrophobicContact CG2-CB 3.93Å; V67-Q82 HydrophobicContact CG2-CG 4.32Å; V67-Q82 PolarHBondContact N-O 2.86Å; V67-Q82 PolarHBondContact O-N 3.44Å; V67-L84 HydrophobicContact CB-CD1 4.46Å; V67-L84 HydrophobicContact CG1-CD1 3.85Å; V67-L84 HydrophobicContact CG2-CD1 3.71Å; V67-L84 HydrophobicContact CG2-CG 3.96Å; V67-V113 HydrophobicContact CB-CB 4Å; V67-V113 HydrophobicContact CB-CG1 3.99Å; V67-V113 HydrophobicContact CG1-CB 4.37Å; V67-V113 HydrophobicContact CG1-CG1 3.85Å; V67-V113 HydrophobicContact CG2-CB 4.35Å; V67-V113 HydrophobicContact CG2-CG1 4.27Å; V67-F129 HydrophobicContact CG1-CE2 4.36Å; V67-F129 HydrophobicContact CG1-CZ 3.93Å |
| 68 | N | 97.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.2 | 39.6 | 175.2 | -53.7 | -45.6 | 0 | 0 | 0 | 113.9 | I40 Y41 P70 Q82 H108 R112 V113 | I40-N68 VanDerWaalsContact CG2-C 3.41Å; I40-N68 HydrophobicContact CG2-CB 4.2Å; Y41-N68 CarbonylContact O-C 3.52Å; Y41-N68 PolarHBondContact O-N 2.9Å; Y41-N68 VanDerWaalsContact O-N 3.08Å; N68-P70 WeakPolarHBondContact O-CD 3.42Å; N68-Q82 PolarHBondContact ND2-OE1 3.38Å; N68-H108 PolarHBondContact OD1-CE1 2.8Å; N68-R112 WeakPolarHBondContact OD1-CA 3.34Å; N68-V113 PolarHBondContact ND2-O 3.19Å; N68-V113 PolarHBondContact OD1-N 2.83Å |
| 69 | I | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 116.7 | 177.2 | -55 | 158.4 | 0 | 0 | 0 | 108.3 | I40 Y41 L43 V66 V67 N73 L74 M78 | I40-I69 WeakPolarHBondContact CA-O 3.24Å; I40-I69 WeakPolarHBondContact CG2-O 3.42Å; Y41-I69 PolarHBondContact N-O 3.36Å; Y41-I69 PolarHBondContact O-N 3.12Å; L43-I69 HydrophobicContact CB-CD1 3.89Å; V66-I69 HydrophobicContact CB-CD1 4.17Å; V66-I69 HydrophobicContact CB-CG1 4.35Å; V66-I69 HydrophobicContact CG1-CD1 4.06Å; V66-I69 HydrophobicContact CG1-CG1 3.71Å; V67-I69 VanDerWaalsContact C-N 3.31Å; V67-I69 PolarHBondContact O-N 3.36Å; I69-N73 HydrophobicContact CG2-CB 4.17Å; I69-L74 HydrophobicContact CG2-CD1 4.43Å; I69-L74 HydrophobicContact CG2-CD2 4.03Å; I69-L74 HydrophobicContact CG2-CG 3.95Å; I69-M78 HydrophobicContact CD1-CG 4.35Å; I69-M78 HydrophobicContact CD1-SD 3.54Å; I69-M78 VanDerWaalsContact CD1-SD 3.54Å; I69-M78 HydrophobicContact CG1-SD 4.27Å; I69-M78 HydrophobicContact CG2-CG 4.24Å |
| 70 | P | 95.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 142.1 | 173.1 | -20.3 | 33.6 | 0 | 0 | 0 | 111.1 | N68 S72 N73 | N68-P70 WeakPolarHBondContact O-CD 3.42Å; P70-S72 VanDerWaalsContact C-N 3.28Å; P70-S72 PolarHBondContact O-N 3.4Å; P70-N73 WeakPolarHBondContact O-CA 3.42Å; P70-N73 VanDerWaalsContact O-CB 3.31Å; P70-N73 WeakPolarHBondContact O-CB 3.29Å; P70-N73 PolarHBondContact O-N 3.09Å |
| 71 | A | 94.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -52 | -42.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A35 D36 A39 Y41 N73 L74 | A35-A71 HydrophobicContact CB-CB 3.88Å; D36-A71 WeakPolarHBondContact O-CB 3.48Å; A39-A71 WeakPolarHBondContact O-CB 3.2Å; A39-A71 PolarHBondContact O-N 2.87Å; Y41-A71 HydrophobicContact CD2-CB 4.47Å; Y41-A71 HydrophobicContact CE2-CB 3.99Å; A71-N73 PolarHBondContact O-N 2.87Å; A71-L74 WeakPolarHBondContact O-CB 3.37Å; A71-L74 PolarHBondContact O-N 3.32Å |
| 72 | S | 94.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 34.9 Ų | 34.9 | 54% | 0.538 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -57.6 | -22.1 | 177.9 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | P70 L74 | P70-S72 VanDerWaalsContact C-N 3.28Å; P70-S72 PolarHBondContact O-N 3.4Å; S72-L74 VanDerWaalsContact C-N 3.26Å; S72-L74 PolarHBondContact O-N 3.21Å |
| 73 | N | 95.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -88.6 | 13.4 | 178 | -70 | -148.5 | 0 | 0 | 0 | 111.7 | I69 P70 A71 G77 M78 L79 G80 | I69-N73 HydrophobicContact CG2-CB 4.17Å; P70-N73 WeakPolarHBondContact O-CA 3.42Å; P70-N73 VanDerWaalsContact O-CB 3.31Å; P70-N73 WeakPolarHBondContact O-CB 3.29Å; P70-N73 PolarHBondContact O-N 3.09Å; A71-N73 PolarHBondContact O-N 2.87Å; N73-G77 CarbonylContact C-O 2.72Å; N73-G77 CarbonylContact O-C 3.59Å; N73-M78 WeakPolarHBondContact O-CA 3.49Å; N73-L79 PolarHBondContact O-N 2.95Å; N73-G80 VanDerWaalsContact OD1-CA 3.26Å; N73-G80 WeakPolarHBondContact OD1-CA 3.25Å; N73-G80 PolarHBondContact OD1-N 2.91Å |
| 74 | L | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -10.6 | 173.1 | -69 | 174.1 | 0 | 0 | 0 | 113.2 | T32 Y33 A35 Y41 I69 A71 S72 M78 L105 | T32-L74 CarbonylContact C-O 3.58Å; T32-L74 WeakPolarHBondContact CA-O 3.3Å; T32-L74 WeakPolarHBondContact CB-O 3.47Å; Y33-L74 HydrophobicContact CD1-CD1 4.39Å; Y33-L74 PolarHBondContact N-O 2.96Å; A35-L74 HydrophobicContact CB-CB 4.24Å; A35-L74 HydrophobicContact CB-CD1 4.18Å; Y41-L74 HydrophobicContact CD1-CD1 4.22Å; Y41-L74 HydrophobicContact CD2-CD1 3.58Å; Y41-L74 HydrophobicContact CE2-CD1 4.25Å; Y41-L74 HydrophobicContact CG-CD1 3.57Å; I69-L74 HydrophobicContact CG2-CD1 4.43Å; I69-L74 HydrophobicContact CG2-CD2 4.03Å; I69-L74 HydrophobicContact CG2-CG 3.95Å; A71-L74 WeakPolarHBondContact O-CB 3.37Å; A71-L74 PolarHBondContact O-N 3.32Å; S72-L74 VanDerWaalsContact C-N 3.26Å; S72-L74 PolarHBondContact O-N 3.21Å; L74-M78 HydrophobicContact CD2-CB 4.39Å; L74-M78 HydrophobicContact CD2-CG 4.19Å; L74-L105 HydrophobicContact CD1-CD1 4.5Å; L74-L105 HydrophobicContact CD1-CD2 4.17Å |
| 75 | F | 93.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 38.8 Ų | 38.8 | 43% | 0.425 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -72.1 | -41.8 | -177 | -59.1 | -37.1 | 0 | 0 | 0 | 113.3 | A35 P37 | A35-F75 HydrophobicContact CB-CD1 4.5Å; A35-F75 HydrophobicContact CB-CE1 3.82Å; A35-F75 HydrophobicContact CB-CZ 4.45Å; A35-F75 WeakPolarHBondContact O-CE1 3.35Å; P37-F75 HydrophobicContact CG-CZ 4.41Å |
| 76 | D | 90.5 | Very high | 95.1 | Very high | 107 Ų | 107 | 41.5 Ų | 41.5 | 57% | 0.572 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -123.5 | 34.5 | -176.3 | -161.1 | 46.3 | 0 | 0 | 0 | 113 | R30 | R30-D76 IonicContact CZ-OD1 3.98Å; R30-D76 PolarHBondContact NH1-O 3.33Å; R30-D76 PolarHBondContact NH2-O 3.15Å; R30-D76 IonicContact NH2-OD1 2.62Å; R30-D76 PolarHBondContact NH2-OD1 2.98Å; R30-D76 IonicContact NH2-OD2 2.94Å; R30-D76 PolarHBondContact NH2-OD2 3.29Å |
| 77 | G | 90.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 108.6 | 148.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I31 N73 L79 | I31-G77 CarbonylContact O-C 3.56Å; I31-G77 WeakPolarHBondContact O-CA 3.41Å; N73-G77 CarbonylContact C-O 2.72Å; N73-G77 CarbonylContact O-C 3.59Å; G77-L79 WeakPolarHBondContact O-CG 3.32Å; G77-L79 PolarHBondContact O-N 3.13Å |
| 78 | M | 92.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 44 Ų | 44 | 16% | 0.163 | 26% | 0.263 | C | S | . | . | trans | -68.1 | 91 | 176.3 | -162.5 | -180 | 75.5 | 0 | 0 | 111.8 | I31 L43 W64 V66 I69 N73 L74 | I31-M78 HydrophobicContact CB-CB 4.43Å; I31-M78 PolarHBondContact O-N 2.87Å; L43-M78 HydrophobicContact CB-SD 4.34Å; L43-M78 HydrophobicContact CD2-CE 4.05Å; L43-M78 HydrophobicContact CD2-SD 3.78Å; W64-M78 HydrophobicContact CD2-CE 4.49Å; W64-M78 HydrophobicContact CH2-CE 3.24Å; W64-M78 HydrophobicContact CZ2-CE 3.08Å; W64-M78 HydrophobicContact CZ3-CE 4.01Å; V66-M78 HydrophobicContact CB-CE 4.12Å; V66-M78 HydrophobicContact CB-SD 4.37Å; V66-M78 HydrophobicContact CG1-CE 4.26Å; V66-M78 HydrophobicContact CG1-SD 4.43Å; V66-M78 HydrophobicContact CG2-CE 3.69Å; I69-M78 HydrophobicContact CD1-CG 4.35Å; I69-M78 HydrophobicContact CD1-SD 3.54Å; I69-M78 VanDerWaalsContact CD1-SD 3.54Å; I69-M78 HydrophobicContact CG1-SD 4.27Å; I69-M78 HydrophobicContact CG2-CG 4.24Å; N73-M78 WeakPolarHBondContact O-CA 3.49Å; L74-M78 HydrophobicContact CD2-CB 4.39Å; L74-M78 HydrophobicContact CD2-CG 4.19Å | ||
| 79 | L | 85.8 | Confident | 95.1 | Very high | 136 Ų | 136 | 46.4 Ų | 46.4 | 71% | 0.712 | 28% | 0.279 | S | S | * | . | trans | -99.4 | 4.7 | -173.5 | -66.5 | 175.6 | 0 | 0 | 0 | 114.6 | N73 G77 | N73-L79 PolarHBondContact O-N 2.95Å; G77-L79 WeakPolarHBondContact O-CG 3.32Å; G77-L79 PolarHBondContact O-N 3.13Å | ||
| 80 | G | 90.8 | Very high | 95.1 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | trans | -168.6 | -162.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N73 | N73-G80 VanDerWaalsContact OD1-CA 3.26Å; N73-G80 WeakPolarHBondContact OD1-CA 3.25Å; N73-G80 PolarHBondContact OD1-N 2.91Å | ||
| 81 | G | 96 | Very high | 95.2 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 99.3 | 172.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 82 | Q | 97.1 | Very high | 95.3 | Very high | 87 Ų | 87 | 46.8 Ų | 46.8 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 108.9 | 178.5 | -178.8 | -179.2 | 4.9 | 0 | 0 | 109.7 | V66 V67 N68 L84 | V66-Q82 WeakPolarHBondContact CA-O 3.19Å; V67-Q82 HydrophobicContact CG2-CB 3.93Å; V67-Q82 HydrophobicContact CG2-CG 4.32Å; V67-Q82 PolarHBondContact N-O 2.86Å; V67-Q82 PolarHBondContact O-N 3.44Å; N68-Q82 PolarHBondContact ND2-OE1 3.38Å; Q82-L84 HydrophobicContact CG-CD2 3.9Å; Q82-L84 HydrophobicContact CG-CG 4.46Å; Q82-L84 PolarHBondContact O-N 3.17Å |
| 83 | V | 98 | Very high | 95.3 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 111 | 176 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | V66 A86 | V66-V83 HydrophobicContact CG1-CG2 4.3Å; V66-V83 HydrophobicContact CG2-CG2 4.09Å; V83-A86 HydrophobicContact CG1-CB 4.2Å |
| 84 | L | 98.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -25.5 | 175.2 | -62.3 | -177.9 | 0 | 0 | 0 | 112.4 | L65 V67 Q82 Q115 I117 | L65-L84 HydrophobicContact CB-CB 4.39Å; L65-L84 HydrophobicContact CD2-CB 3.87Å; L65-L84 HydrophobicContact CD2-CD1 4.01Å; L65-L84 HydrophobicContact CG-CB 4Å; L65-L84 HydrophobicContact CG-CD1 4.36Å; L65-L84 PolarHBondContact O-N 2.85Å; V67-L84 HydrophobicContact CB-CD1 4.46Å; V67-L84 HydrophobicContact CG1-CD1 3.85Å; V67-L84 HydrophobicContact CG2-CD1 3.71Å; V67-L84 HydrophobicContact CG2-CG 3.96Å; Q82-L84 HydrophobicContact CG-CD2 3.9Å; Q82-L84 HydrophobicContact CG-CG 4.46Å; Q82-L84 PolarHBondContact O-N 3.17Å; L84-Q115 HydrophobicContact CD1-CB 3.62Å; L84-Q115 HydrophobicContact CD1-CG 3.78Å; L84-Q115 WeakPolarHBondContact CD1-O 3.31Å; L84-I117 HydrophobicContact CD2-CG1 4.04Å; L84-I117 WeakPolarHBondContact O-CG2 3.22Å |
| 85 | M | 98.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 59.9 Ų | 59.9 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 114.1 | 169.6 | -179.1 | 60.3 | 62.6 | 0 | 0 | 107.1 | L62 W64 L65 P118 R121 | L62-M85 HydrophobicContact CD2-CB 3.74Å; L62-M85 HydrophobicContact CD2-CE 4.49Å; L62-M85 HydrophobicContact CD2-CG 3.92Å; L62-M85 HydrophobicContact CG-CB 4.17Å; L62-M85 HydrophobicContact CG-CG 4.01Å; W64-M85 VanDerWaalsContact CD1-O 3.23Å; L65-M85 HydrophobicContact CB-CB 3.84Å; L65-M85 PolarHBondContact N-O 2.86Å; L65-M85 PolarHBondContact O-N 2.88Å; L65-M85 VanDerWaalsContact O-N 3.13Å; M85-P118 HydrophobicContact CE-CB 4.03Å; M85-P118 WeakPolarHBondContact CE-O 3.45Å; M85-R121 HydrophobicContact CE-CG 4.08Å; M85-R121 HydrophobicContact CG-CG 4.44Å; M85-R121 HydrophobicContact SD-CG 3.81Å |
| 86 | A | 97.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 151.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V83 G88 R121 | V83-A86 HydrophobicContact CG1-CB 4.2Å; A86-G88 PolarHBondContact O-N 2.69Å; A86-G88 VanDerWaalsContact O-N 3.16Å; A86-R121 PolarHBondContact O-NH1 3.16Å; A86-R121 VanDerWaalsContact O-NH1 3.15Å; A86-R121 PolarHBondContact O-NH2 3.48Å |
| 87 | Y | 98.4 | Very high | 95.8 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 15% | 0.145 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -50.8 | 120.8 | 176.8 | -179.4 | -95.2 | 0 | 0 | 0 | 110.7 | Y9 L25 A28 M45 H63 W64 P90 | Y9-Y87 WeakPolarHBondContact CE1-OH 3.44Å; Y9-Y87 PolarHBondContact OH-OH 3.25Å; L25-Y87 PolarHBondContact O-OH 2.91Å; A28-Y87 HydrophobicContact CB-CD1 3.94Å; A28-Y87 HydrophobicContact CB-CD2 3.86Å; A28-Y87 HydrophobicContact CB-CE1 4.49Å; A28-Y87 HydrophobicContact CB-CE2 4.41Å; A28-Y87 HydrophobicContact CB-CG 3.59Å; M45-Y87 HydrophobicContact CE-CE2 4.21Å; M45-Y87 HydrophobicContact SD-CD2 4.15Å; M45-Y87 HydrophobicContact SD-CE2 3.67Å; H63-Y87 CarbonylContact O-C 3.59Å; H63-Y87 VanDerWaalsContact O-CA 3.32Å; H63-Y87 WeakPolarHBondContact O-CA 3.25Å; W64-Y87 HydrophobicContact CB-CD2 4.4Å; W64-Y87 VanDerWaalsContact CD1-N 3.33Å; W64-Y87 AromaticContact CD2-CD2 3.99Å; W64-Y87 HydrophobicContact CD2-CD2 3.99Å; W64-Y87 AromaticContact CE3-CD2 3.85Å; W64-Y87 HydrophobicContact CE3-CD2 3.85Å; W64-Y87 HydrophobicContact CG-CD2 4.27Å; W64-Y87 HydrophobicContact CZ3-CD2 4.4Å; Y87-P90 WeakPolarHBondContact OH-CD 3.12Å |
| 88 | G | 98.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -101.8 | 127 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | H63 A86 | H63-G88 PolarHBondContact ND1-O 2.83Å; H63-G88 PolarHBondContact O-N 3.38Å; A86-G88 PolarHBondContact O-N 2.69Å; A86-G88 VanDerWaalsContact O-N 3.16Å |
| 89 | S | 97.5 | Very high | 96.4 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 134.6 | 178.6 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | L25 A91 | L25-S89 WeakPolarHBondContact O-CB 3.26Å; S89-A91 PolarHBondContact O-N 3.05Å; S89-A91 VanDerWaalsContact O-N 3.14Å |
| 90 | P | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | trans | -46.7 | 113.2 | 160.2 | -33.6 | 40.1 | 0 | 0 | 0 | 112.5 | L25 M45 Y87 Y101 F144 | L25-P90 HydrophobicContact CB-CB 3.96Å; L25-P90 HydrophobicContact CB-CG 3.92Å; L25-P90 HydrophobicContact CD1-CB 3.59Å; L25-P90 HydrophobicContact CD1-CG 3.9Å; L25-P90 HydrophobicContact CG-CB 4.39Å; L25-P90 HydrophobicContact CG-CG 4.39Å; M45-P90 HydrophobicContact CE-CG 3.79Å; Y87-P90 WeakPolarHBondContact OH-CD 3.12Å; P90-Y101 HydrophobicContact CB-CD1 4.08Å; P90-Y101 HydrophobicContact CB-CD2 4.24Å; P90-Y101 HydrophobicContact CB-CE1 3.63Å; P90-Y101 HydrophobicContact CB-CE2 3.83Å; P90-Y101 HydrophobicContact CB-CG 4.36Å; P90-Y101 VanDerWaalsContact CB-CZ 3.49Å; P90-Y101 HydrophobicContact CG-CD1 3.72Å; P90-Y101 HydrophobicContact CG-CD2 4.32Å; P90-Y101 HydrophobicContact CG-CE1 3.76Å; P90-Y101 HydrophobicContact CG-CE2 4.37Å; P90-Y101 HydrophobicContact CG-CG 4.01Å; P90-F144 HydrophobicContact CG-CE2 4.25Å; P90-F144 HydrophobicContact CG-CZ 4.12Å | ||
| 91 | A | 95.8 | Very high | 97.4 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 50% | 0.496 | 29% | 0.285 | S | S | . | . | trans | -143.1 | 63.2 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | S89 Q93 | S89-A91 PolarHBondContact O-N 3.05Å; S89-A91 VanDerWaalsContact O-N 3.14Å; A91-Q93 PolarHBondContact O-NE2 2.89Å | ||
| 92 | P | 96.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 140.6 | 178.7 | 26.5 | -32.9 | 0 | 0 | 0 | 110.1 | P22 Y101 Q147 N148 | P22-P92 HydrophobicContact CG-CG 4.46Å; P92-Y101 WeakPolarHBondContact CD-OH 3.32Å; P92-Q147 VanDerWaalsContact CG-C 3.42Å; P92-N148 WeakPolarHBondContact O-CB 3.48Å; P92-N148 PolarHBondContact O-ND2 3.14Å |
| 93 | Q | 96.1 | Very high | 97.6 | Very high | 127 Ų | 127 | 47.4 Ų | 47.4 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 156.4 | -179.4 | -63.8 | -60.2 | -58.9 | 0 | 0 | 110.4 | A91 T96 | A91-Q93 PolarHBondContact O-NE2 2.89Å; Q93-T96 HydrophobicContact CB-CG2 3.93Å; Q93-T96 PolarHBondContact O-N 3.03Å; Q93-T96 PolarHBondContact O-OG1 2.95Å |
| 94 | P | 96.2 | Very high | 97.5 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 145.1 | 173.9 | -21.5 | 31.7 | 0 | 0 | 0 | 111.7 | T96 N148 | P94-T96 PolarHBondContact O-N 2.8Å; P94-N148 WeakPolarHBondContact CD-ND2 3.4Å |
| 95 | R | 95.5 | Very high | 97.5 | Very high | 210 Ų | 210 | 44.4 Ų | 44.4 | 79% | 0.792 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 16.6 | 177.6 | -47.7 | 177.1 | 178.3 | 119.8 | -1.1 | 114 | E151 P152 | R95-E151 WeakPolarHBondContact CA-OE1 3.31Å; R95-E151 PolarHBondContact N-OE1 2.92Å; R95-P152 HydrophobicContact CG-CG 4.29Å |
| 96 | T | 97 | Very high | 97.4 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -96.6 | -9.8 | 170.9 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | L51 S52 Q93 P94 H99 E151 | L51-T96 VanDerWaalsContact O-CB 3.31Å; L51-T96 WeakPolarHBondContact O-CB 3.22Å; L51-T96 VanDerWaalsContact O-CG2 3.27Å; L51-T96 WeakPolarHBondContact O-CG2 3.35Å; S52-T96 WeakPolarHBondContact CB-O 3.32Å; Q93-T96 HydrophobicContact CB-CG2 3.93Å; Q93-T96 PolarHBondContact O-N 3.03Å; Q93-T96 PolarHBondContact O-OG1 2.95Å; P94-T96 PolarHBondContact O-N 2.8Å; T96-H99 WeakPolarHBondContact CB-NE2 3.41Å; T96-H99 PolarHBondContact OG1-NE2 3.13Å; T96-E151 PolarHBondContact N-OE1 3.1Å; T96-E151 VanDerWaalsContact N-OE1 3.17Å |
| 97 | G | 96.5 | Very high | 97.3 | Very high | 22 Ų | 22 | 44 Ų | 44 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | trans | 72.8 | -152.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H99 Q147 E151 | G97-H99 PolarHBondContact O-CD2 2.94Å; G97-Q147 WeakPolarHBondContact O-CB 3.18Å; G97-E151 PolarHBondContact N-OE1 2.9Å; G97-E151 PolarHBondContact N-OE2 2.7Å | ||
| 98 | Q | 97.7 | Very high | 97.2 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | trans | -79.5 | 131.1 | -178.4 | -73 | 172.5 | 83.4 | 0 | 0 | 111.5 | R53 I145 Q147 | R53-Q98 VanDerWaalsContact CD-O 3.24Å; R53-Q98 WeakPolarHBondContact CD-O 3.29Å; R53-Q98 WeakPolarHBondContact CG-O 3.21Å; R53-Q98 PolarHBondContact NE-O 3.17Å; Q98-I145 HydrophobicContact CB-CG2 3.69Å; Q98-I145 HydrophobicContact CG-CG2 3.8Å; Q98-Q147 HydrophobicContact CG-CB 4.18Å | ||
| 99 | H | 98.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 142.9 | 171.2 | -73.5 | -126.2 | 0 | 0 | 0 | 109.8 | D47 D49 L51 T96 G97 Y101 I145 A146 | D47-H99 IonicContact OD1-CG 3.04Å; D47-H99 IonicContact OD1-ND1 3.75Å; D47-H99 PolarHBondContact OD1-ND1 2.62Å; D47-H99 IonicContact OD2-CE1 3.93Å; D47-H99 IonicContact OD2-CG 3.94Å; D47-H99 IonicContact OD2-ND1 3.75Å; D47-H99 PolarHBondContact OD2-ND1 2.86Å; D49-H99 HydrophobicContact CB-CB 4.3Å; D49-H99 WeakPolarHBondContact OD2-CA 3.43Å; L51-H99 PolarHBondContact O-CE1 2.83Å; L51-H99 PolarHBondContact O-NE2 2.89Å; T96-H99 WeakPolarHBondContact CB-NE2 3.41Å; T96-H99 PolarHBondContact OG1-NE2 3.13Å; G97-H99 PolarHBondContact O-CD2 2.94Å; H99-Y101 HydrophobicContact CB-CE2 3.79Å; H99-I145 VanDerWaalsContact O-CA 3.28Å; H99-I145 WeakPolarHBondContact O-CA 3.38Å; H99-A146 PolarHBondContact N-O 3.05Å; H99-A146 PolarHBondContact O-N 3.48Å |
| 100 | R | 98.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 46.2 Ų | 46.2 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 136.7 | 169.9 | -64.7 | 168.9 | -71.4 | 174.2 | 4 | 108.3 | D47 P48 D49 V102 Y143 F144 | D47-R100 WeakPolarHBondContact CA-O 3.23Å; P48-R100 WeakPolarHBondContact CD-O 3.4Å; P48-R100 HydrophobicContact CG-CB 4.24Å; D49-R100 IonicContact OD1-CZ 2.8Å; D49-R100 IonicContact OD1-NE 3.13Å; D49-R100 PolarHBondContact OD1-NE 3.48Å; D49-R100 VanDerWaalsContact OD1-NE 3.16Å; D49-R100 IonicContact OD1-NH2 3.35Å; D49-R100 PolarHBondContact OD1-NH2 2.91Å; D49-R100 WeakPolarHBondContact OD2-CB 3.06Å; D49-R100 WeakPolarHBondContact OD2-CG 3.45Å; D49-R100 PolarHBondContact OD2-N 2.83Å; D49-R100 IonicContact OD2-NE 3.8Å; D49-R100 PolarHBondContact OD2-NE 3.16Å; D49-R100 VanDerWaalsContact OD2-NE 3.13Å; R100-V102 HydrophobicContact CB-CG2 4.5Å; R100-Y143 HydrophobicContact CG-CD2 4.36Å; R100-F144 CarbonylContact C-O 3.4Å; R100-F144 WeakPolarHBondContact CA-O 3.14Å |
| 101 | Y | 98.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114.5 | 169.6 | -63.1 | -83.8 | 0 | 0 | 0 | 107.3 | M45 I46 D47 H63 P90 P92 H99 Y143 F144 A146 | M45-Y101 HydrophobicContact CE-CD1 3.99Å; M45-Y101 HydrophobicContact CE-CG 4.18Å; I46-Y101 WeakPolarHBondContact O-CA 3.4Å; D47-Y101 HydrophobicContact CB-CD1 4.01Å; D47-Y101 HydrophobicContact CB-CE1 3.82Å; H63-Y101 AromaticContact CE1-CE1 3.61Å; H63-Y101 AromaticContact NE2-CD1 3.84Å; H63-Y101 AromaticContact NE2-CE1 3.4Å; H63-Y101 WeakPolarHBondContact NE2-CE1 3.31Å; P90-Y101 HydrophobicContact CB-CD1 4.08Å; P90-Y101 HydrophobicContact CB-CD2 4.24Å; P90-Y101 HydrophobicContact CB-CE1 3.63Å; P90-Y101 HydrophobicContact CB-CE2 3.83Å; P90-Y101 HydrophobicContact CB-CG 4.36Å; P90-Y101 VanDerWaalsContact CB-CZ 3.49Å; P90-Y101 HydrophobicContact CG-CD1 3.72Å; P90-Y101 HydrophobicContact CG-CD2 4.32Å; P90-Y101 HydrophobicContact CG-CE1 3.76Å; P90-Y101 HydrophobicContact CG-CE2 4.37Å; P90-Y101 HydrophobicContact CG-CG 4.01Å; P92-Y101 WeakPolarHBondContact CD-OH 3.32Å; H99-Y101 HydrophobicContact CB-CE2 3.79Å; Y101-Y143 CarbonylContact O-C 2.92Å; Y101-Y143 WeakPolarHBondContact O-CA 3.34Å; Y101-Y143 WeakPolarHBondContact O-CB 3.42Å; Y101-F144 VanDerWaalsContact CB-CE2 3.48Å; Y101-F144 VanDerWaalsContact CB-CZ 3.42Å; Y101-F144 AromaticContact CD2-CD2 3.9Å; Y101-F144 HydrophobicContact CD2-CD2 3.9Å; Y101-F144 AromaticContact CD2-CE2 3.41Å; Y101-F144 HydrophobicContact CD2-CE2 3.41Å; Y101-F144 VanDerWaalsContact CD2-CE2 3.41Å; Y101-F144 HydrophobicContact CD2-CZ 4.16Å; Y101-F144 HydrophobicContact CE2-CE2 4.4Å; Y101-F144 HydrophobicContact CG-CD2 4.33Å; Y101-F144 AromaticContact CG-CE2 3.61Å; Y101-F144 HydrophobicContact CG-CE2 3.61Å; Y101-F144 AromaticContact CG-CZ 3.88Å; Y101-F144 HydrophobicContact CG-CZ 3.88Å; Y101-F144 PolarHBondContact N-O 2.77Å; Y101-F144 PolarHBondContact O-N 2.77Å; Y101-A146 HydrophobicContact CD2-CB 4.23Å; Y101-A146 HydrophobicContact CE2-CB 3.69Å |
| 102 | V | 98.3 | Very high | 94.4 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125 | -173.8 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | M45 I46 P48 R100 V104 | M45-V102 CarbonylContact C-O 3.49Å; M45-V102 VanDerWaalsContact CA-O 3.25Å; M45-V102 WeakPolarHBondContact CA-O 3.23Å; I46-V102 HydrophobicContact CG1-CB 4.02Å; I46-V102 PolarHBondContact N-O 3.35Å; I46-V102 PolarHBondContact O-N 3.19Å; P48-V102 HydrophobicContact CG-CG2 4.32Å; R100-V102 HydrophobicContact CB-CG2 4.5Å; V102-V104 HydrophobicContact CG1-CG1 4.11Å |
| 103 | L | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.8 | 169.2 | -65.6 | 91.7 | 0 | 0 | 0 | 108.4 | F5 V7 I31 L43 V44 M45 G141 L142 F144 | F5-L103 HydrophobicContact CE1-CB 4.24Å; F5-L103 HydrophobicContact CE2-CB 4.19Å; F5-L103 HydrophobicContact CZ-CB 3.42Å; F5-L103 VanDerWaalsContact CZ-CB 3.42Å; V7-L103 HydrophobicContact CG2-CD2 4.45Å; I31-L103 HydrophobicContact CD1-CD2 3.73Å; L43-L103 HydrophobicContact CD1-CD2 4.48Å; V44-L103 CarbonylContact O-C 3.51Å; V44-L103 WeakPolarHBondContact O-CA 3.36Å; M45-L103 HydrophobicContact CB-CD2 4.46Å; M45-L103 HydrophobicContact CB-CG 4.05Å; M45-L103 HydrophobicContact CE-CD1 4.48Å; M45-L103 HydrophobicContact CG-CD1 4.17Å; M45-L103 HydrophobicContact CG-CD2 4.42Å; M45-L103 HydrophobicContact CG-CG 3.83Å; M45-L103 HydrophobicContact SD-CD1 4.4Å; M45-L103 HydrophobicContact SD-CD2 4.38Å; M45-L103 HydrophobicContact SD-CG 4.3Å; L103-G141 WeakPolarHBondContact O-CA 3.48Å; L103-L142 PolarHBondContact N-O 3.05Å; L103-L142 PolarHBondContact O-N 2.79Å; L103-F144 HydrophobicContact CD1-CD1 4.24Å; L103-F144 HydrophobicContact CD1-CE1 3.78Å |
| 104 | V | 97.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.8 | 173.8 | -68.2 | 0 | 0 | 0 | 0 | 110.1 | L43 V44 V102 Y106 V126 P138 | L43-V104 WeakPolarHBondContact CA-O 3.43Å; V44-V104 HydrophobicContact CB-CG2 3.85Å; V44-V104 HydrophobicContact CG2-CG2 4.34Å; V44-V104 PolarHBondContact N-O 2.86Å; V44-V104 PolarHBondContact O-N 2.88Å; V102-V104 HydrophobicContact CG1-CG1 4.11Å; V104-Y106 HydrophobicContact CB-CE2 4.31Å; V104-Y106 HydrophobicContact CG2-CD2 4.45Å; V104-Y106 HydrophobicContact CG2-CE2 3.62Å; V104-V126 HydrophobicContact CG2-CG2 4.08Å; V104-P138 HydrophobicContact CB-CB 4.27Å; V104-P138 HydrophobicContact CB-CG 4.39Å; V104-P138 HydrophobicContact CG1-CB 4.47Å; V104-P138 HydrophobicContact CG1-CG 4.37Å |
| 105 | L | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127 | 175.7 | -168 | 71 | 0 | 0 | 0 | 109 | F5 Y33 Y41 L43 L74 P138 V139 A140 | F5-L105 HydrophobicContact CD2-CB 4.04Å; F5-L105 HydrophobicContact CD2-CD2 4.33Å; F5-L105 HydrophobicContact CE2-CB 3.93Å; Y33-L105 HydrophobicContact CD1-CD2 3.58Å; Y33-L105 HydrophobicContact CD2-CD2 4.31Å; Y33-L105 HydrophobicContact CE1-CD2 3.98Å; Y33-L105 HydrophobicContact CG-CD2 3.77Å; Y41-L105 HydrophobicContact CD1-CD1 4.42Å; Y41-L105 HydrophobicContact CD1-CD2 3.82Å; Y41-L105 HydrophobicContact CD1-CG 3.9Å; Y41-L105 HydrophobicContact CE1-CD2 4.38Å; Y41-L105 HydrophobicContact CG-CD2 4.47Å; L43-L105 HydrophobicContact CB-CD1 4.22Å; L43-L105 HydrophobicContact CD1-CD1 4.3Å; L74-L105 HydrophobicContact CD1-CD1 4.5Å; L74-L105 HydrophobicContact CD1-CD2 4.17Å; L105-P138 CarbonylContact O-C 3.54Å; L105-P138 VanDerWaalsContact O-CA 3.32Å; L105-P138 WeakPolarHBondContact O-CA 3.15Å; L105-V139 HydrophobicContact CB-CG2 4.41Å; L105-V139 HydrophobicContact CD2-CG2 4.28Å; L105-V139 HydrophobicContact CG-CG2 4.32Å; L105-V139 WeakPolarHBondContact O-CG2 3.49Å; L105-V139 PolarHBondContact O-N 3.13Å; L105-A140 HydrophobicContact CB-CB 4.05Å; L105-A140 HydrophobicContact CD2-CB 4.4Å; L105-A140 PolarHBondContact N-O 3.03Å; L105-A140 PolarHBondContact O-N 2.89Å |
| 106 | Y | 97 | Very high | 94.4 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 141.9 | 173.5 | -63.9 | -81.6 | 0 | 0 | 0 | 110.1 | Y41 S42 V44 V104 V126 Q130 L135 P138 | Y41-Y106 CarbonylContact C-O 3.59Å; Y41-Y106 WeakPolarHBondContact CA-O 3.33Å; Y41-Y106 WeakPolarHBondContact CD1-O 3.35Å; S42-Y106 PolarHBondContact N-O 3.04Å; S42-Y106 PolarHBondContact O-N 2.83Å; V44-Y106 HydrophobicContact CG2-CD2 4.4Å; V44-Y106 HydrophobicContact CG2-CE2 4.1Å; V104-Y106 HydrophobicContact CB-CE2 4.31Å; V104-Y106 HydrophobicContact CG2-CD2 4.45Å; V104-Y106 HydrophobicContact CG2-CE2 3.62Å; Y106-V126 HydrophobicContact CE2-CG2 4.38Å; Y106-Q130 HydrophobicContact CD1-CG 4.31Å; Y106-Q130 HydrophobicContact CE1-CB 4.08Å; Y106-Q130 HydrophobicContact CE1-CG 3.57Å; Y106-Q130 PolarHBondContact OH-OE1 2.96Å; Y106-L135 HydrophobicContact CD1-CB 3.73Å; Y106-L135 HydrophobicContact CD1-CD1 4.36Å; Y106-L135 HydrophobicContact CD2-CD1 3.94Å; Y106-L135 HydrophobicContact CE1-CB 4.42Å; Y106-L135 HydrophobicContact CG-CB 3.92Å; Y106-L135 HydrophobicContact CG-CD1 3.83Å; Y106-L135 HydrophobicContact CG-CG 4.47Å; Y106-P138 HydrophobicContact CD1-CB 4.45Å; Y106-P138 HydrophobicContact CD1-CG 4.3Å; Y106-P138 HydrophobicContact CE1-CB 4.19Å; Y106-P138 HydrophobicContact CE1-CG 3.59Å |
| 107 | E | 95.9 | Very high | 94.4 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 140.4 | 173.1 | -172.6 | 178.9 | 104.2 | 0 | 0 | 110.2 | A39 I40 Y41 V139 | A39-E107 HydrophobicContact CB-CG 3.57Å; I40-E107 CarbonylContact O-C 3.54Å; Y41-E107 HydrophobicContact CD1-CB 3.94Å; Y41-E107 HydrophobicContact CD1-CG 4.21Å; Y41-E107 HydrophobicContact CE1-CB 3.56Å; Y41-E107 HydrophobicContact CE1-CG 3.55Å; Y41-E107 WeakPolarHBondContact CE1-OE2 3.31Å; Y41-E107 PolarHBondContact OH-OE2 2.86Å; E107-V139 HydrophobicContact CB-CB 4.46Å; E107-V139 HydrophobicContact CB-CG1 3.58Å; E107-V139 HydrophobicContact CB-CG2 4.06Å |
| 108 | H | 94.7 | Very high | 94.5 | Very high | 19 Ų | 19 | 56.5 Ų | 56.5 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 117.4 | 175.7 | 56 | 101.1 | 0 | 0 | 0 | 110.2 | I40 Y41 S42 N68 R111 L135 | I40-H108 WeakPolarHBondContact CA-O 3.47Å; I40-H108 VanDerWaalsContact CB-O 3.32Å; I40-H108 WeakPolarHBondContact CB-O 3.35Å; I40-H108 VanDerWaalsContact CG2-CE1 3.44Å; I40-H108 WeakPolarHBondContact CG2-CE1 3.14Å; I40-H108 PolarHBondContact N-O 2.9Å; I40-H108 PolarHBondContact O-CD2 3.05Å; I40-H108 PolarHBondContact O-N 2.83Å; I40-H108 PolarHBondContact O-NE2 3.01Å; I40-H108 VanDerWaalsContact O-O 3.06Å; Y41-H108 PolarHBondContact O-NE2 3.48Å; S42-H108 PolarHBondContact OG-NE2 2.88Å; S42-H108 VanDerWaalsContact OG-NE2 3.08Å; N68-H108 PolarHBondContact OD1-CE1 2.8Å; H108-R111 PolarHBondContact ND1-O 2.88Å; H108-L135 HydrophobicContact CB-CD2 4.12Å |
| 109 | G | 77.7 | Confident | 94.5 | Very high | 65 Ų | 65 | 61 Ų | 61 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -97.4 | 4.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 110 | G | 74.6 | Confident | 94.4 | Very high | 70 Ų | 70 | 65.9 Ų | 65.9 | 72% | 0.722 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -149.5 | -8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 111 | R | 86 | Confident | 94.4 | Very high | 185 Ų | 185 | 63.9 Ų | 63.9 | 70% | 0.698 | 35% | 0.35 | S | S | * | . | trans | -142 | 114.8 | -176.1 | -65.6 | -179.9 | -178.2 | 168.9 | 0.2 | 109.9 | H108 V113 | H108-R111 PolarHBondContact ND1-O 2.88Å; R111-V113 PolarHBondContact O-N 3.4Å | ||
| 112 | R | 92.6 | Very high | 94.4 | Very high | 163 Ų | 163 | 64.8 Ų | 64.8 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | trans | -60.7 | 133 | 171.4 | -67.9 | -175.5 | 67 | 89.1 | 1 | 109.5 | N68 S114 | N68-R112 WeakPolarHBondContact OD1-CA 3.34Å; R112-S114 PolarHBondContact O-N 2.95Å | ||
| 113 | V | 96.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | trans | -64.8 | 115.8 | 168.3 | 173.1 | 0 | 0 | 0 | 0 | 108.1 | V67 N68 R111 Q115 F129 H133 L135 | V67-V113 HydrophobicContact CB-CB 4Å; V67-V113 HydrophobicContact CB-CG1 3.99Å; V67-V113 HydrophobicContact CG1-CB 4.37Å; V67-V113 HydrophobicContact CG1-CG1 3.85Å; V67-V113 HydrophobicContact CG2-CB 4.35Å; V67-V113 HydrophobicContact CG2-CG1 4.27Å; N68-V113 PolarHBondContact ND2-O 3.19Å; N68-V113 PolarHBondContact OD1-N 2.83Å; R111-V113 PolarHBondContact O-N 3.4Å; V113-Q115 HydrophobicContact CG1-CB 3.88Å; V113-F129 HydrophobicContact CG1-CE2 4.01Å; V113-F129 HydrophobicContact CG1-CZ 4.13Å; V113-H133 HydrophobicContact CG2-CB 4.29Å; V113-L135 HydrophobicContact CG2-CD2 3.85Å | ||
| 114 | S | 95.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 70.3 Ų | 70.3 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | trans | -106.7 | 87.8 | 172.9 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | R112 H133 | R112-S114 PolarHBondContact O-N 2.95Å; S114-H133 PolarHBondContact O-CE1 3.48Å | ||
| 115 | Q | 95.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 73.3 Ų | 73.3 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | trans | -119.4 | 125 | -177.1 | 176 | 63.9 | 21.4 | 0 | 0 | 108.8 | L84 V113 F129 H133 | L84-Q115 HydrophobicContact CD1-CB 3.62Å; L84-Q115 HydrophobicContact CD1-CG 3.78Å; L84-Q115 WeakPolarHBondContact CD1-O 3.31Å; V113-Q115 HydrophobicContact CG1-CB 3.88Å; Q115-F129 HydrophobicContact CB-CE2 4.37Å; Q115-F129 HydrophobicContact CG-CD2 4.39Å; Q115-F129 HydrophobicContact CG-CE2 4.17Å; Q115-H133 PolarHBondContact OE1-NE2 3.49Å | ||
| 116 | P | 96.7 | Very high | 94.4 | Very high | 92 Ų | 92 | 74.2 Ų | 74.2 | 60% | 0.597 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 147.4 | 169.5 | -23.3 | 33.9 | 0 | 0 | 0 | 111.2 | P118 | P116-P118 WeakPolarHBondContact O-CD 3.5Š|
| 117 | I | 97.8 | Very high | 94.5 | Very high | 124 Ų | 124 | 80.6 Ų | 80.6 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 121.6 | 173 | -66.6 | 177.2 | 0 | 0 | 0 | 108.5 | L84 N119 | L84-I117 HydrophobicContact CD2-CG1 4.04Å; L84-I117 WeakPolarHBondContact O-CG2 3.22Å; I117-N119 PolarHBondContact O-N 3.26Å |
| 118 | P | 97.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 83.3 Ų | 83.3 | 13% | 0.13 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 130.9 | 174 | -23.9 | 34.4 | 0 | 0 | 0 | 110.6 | L62 L65 M85 P116 Q120 | L62-P118 HydrophobicContact CD2-CB 4.34Å; L62-P118 HydrophobicContact CD2-CG 3.98Å; L65-P118 HydrophobicContact CD2-CG 4.06Å; M85-P118 HydrophobicContact CE-CB 4.03Å; M85-P118 WeakPolarHBondContact CE-O 3.45Å; P116-P118 WeakPolarHBondContact O-CD 3.5Å; P118-Q120 PolarHBondContact O-N 2.99Å |
| 119 | N | 97.2 | Very high | 94.8 | Very high | 157 Ų | 157 | 82.8 Ų | 82.8 | 84% | 0.84 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -72.9 | -16.7 | 178.7 | 62.7 | -16.8 | 0 | 0 | 0 | 113.5 | I117 | I117-N119 PolarHBondContact O-N 3.26Š|
| 120 | Q | 97.9 | Very high | 95.7 | Very high | 107 Ų | 107 | 82.1 Ų | 82.1 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | trans | -149.1 | 161 | -179.9 | 68.6 | -175.4 | 23.3 | 0 | 0 | 111.2 | P118 A122 | P118-Q120 PolarHBondContact O-N 2.99Å; Q120-A122 PolarHBondContact NE2-O 2.89Å; Q120-A122 VanDerWaalsContact NE2-O 3.09Å | ||
| 121 | R | 98.5 | Very high | 96.8 | Very high | 59 Ų | 59 | 83.8 Ų | 83.8 | 22% | 0.223 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -86.5 | -32.9 | 174.1 | -62.5 | -179.3 | 178.3 | -90 | 2.9 | 112.8 | W61 L62 H63 M85 A86 | W61-R121 WeakPolarHBondContact CA-O 3.37Å; W61-R121 HydrophobicContact CD2-CB 3.85Å; W61-R121 HydrophobicContact CE3-CB 4.35Å; W61-R121 HydrophobicContact CG-CB 4.3Å; W61-R121 HydrophobicContact CH2-CB 4.27Å; W61-R121 HydrophobicContact CZ2-CB 3.76Å; W61-R121 HydrophobicContact CZ2-CG 4.35Å; L62-R121 HydrophobicContact CB-CB 4.45Å; L62-R121 PolarHBondContact N-O 2.88Å; L62-R121 WeakPolarHBondContact O-CD 3.14Å; L62-R121 WeakPolarHBondContact O-CG 3.45Å; L62-R121 PolarHBondContact O-NH1 2.79Å; H63-R121 PolarHBondContact O-NH1 3.37Å; M85-R121 HydrophobicContact CE-CG 4.08Å; M85-R121 HydrophobicContact CG-CG 4.44Å; M85-R121 HydrophobicContact SD-CG 3.81Å; A86-R121 PolarHBondContact O-NH1 3.16Å; A86-R121 VanDerWaalsContact O-NH1 3.15Å; A86-R121 PolarHBondContact O-NH2 3.48Å |
| 122 | A | 98.3 | Very high | 97.3 | Very high | 20 Ų | 20 | 80.7 Ų | 80.7 | 17% | 0.165 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 144.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V58 W61 Q120 F124 | V58-A122 HydrophobicContact CB-CB 4.01Å; V58-A122 HydrophobicContact CG1-CB 4.45Å; W61-A122 HydrophobicContact CE3-CB 3.96Å; W61-A122 HydrophobicContact CZ3-CB 3.82Å; Q120-A122 PolarHBondContact NE2-O 2.89Å; Q120-A122 VanDerWaalsContact NE2-O 3.09Å; A122-F124 PolarHBondContact O-N 2.86Å |
| 123 | K | 98 | Very high | 97.5 | Very high | 129 Ų | 129 | 74.4 Ų | 74.4 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 29.9 | 173.6 | -56.3 | -179.4 | 179 | 179.4 | 0 | 113.6 | S57 V58 E60 | S57-K123 VanDerWaalsContact O-CE 3.3Å; S57-K123 WeakPolarHBondContact O-CE 3.44Å; V58-K123 PolarHBondContact O-N 2.8Å; E60-K123 PolarHBondContact O-N 3.24Å |
| 124 | F | 98.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 80 Ų | 80 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | trans | -59.5 | 151.5 | 164.3 | -171.2 | -101.5 | 0 | 0 | 0 | 109.3 | V44 I46 E60 L62 L65 A122 V126 F129 | V44-F124 HydrophobicContact CG1-CE1 3.82Å; V44-F124 HydrophobicContact CG1-CZ 4.47Å; I46-F124 HydrophobicContact CG2-CD1 4.08Å; E60-F124 WeakPolarHBondContact CB-O 3.32Å; E60-F124 PolarHBondContact N-O 3.21Å; E60-F124 VanDerWaalsContact N-O 3.13Å; E60-F124 WeakPolarHBondContact O-CB 3.13Å; E60-F124 PolarHBondContact O-N 3.33Å; L62-F124 HydrophobicContact CB-CB 3.88Å; L62-F124 HydrophobicContact CB-CD2 4.48Å; L62-F124 HydrophobicContact CB-CG 4.07Å; L62-F124 HydrophobicContact CD1-CD1 3.85Å; L62-F124 HydrophobicContact CD1-CD2 4.39Å; L62-F124 HydrophobicContact CD1-CE1 3.95Å; L62-F124 HydrophobicContact CD1-CE2 4.48Å; L62-F124 HydrophobicContact CD1-CG 4.06Å; L62-F124 HydrophobicContact CD1-CZ 4.27Å; L62-F124 HydrophobicContact CD2-CD2 3.81Å; L62-F124 HydrophobicContact CD2-CE2 4.03Å; L62-F124 HydrophobicContact CD2-CG 4.18Å; L62-F124 HydrophobicContact CG-CD2 4.47Å; L62-F124 HydrophobicContact CG-CG 4.34Å; L65-F124 HydrophobicContact CD2-CE2 4.47Å; A122-F124 PolarHBondContact O-N 2.86Å; F124-V126 HydrophobicContact CD1-CB 4.4Å; F124-V126 HydrophobicContact CE1-CB 4.06Å; F124-V126 HydrophobicContact CE1-CG2 4.42Å; F124-F129 HydrophobicContact CE1-CB 4.21Å; F124-F129 HydrophobicContact CE2-CB 4.4Å; F124-F129 HydrophobicContact CZ-CB 3.63Å; F124-F129 HydrophobicContact CZ-CD1 4.45Å; F124-F129 HydrophobicContact CZ-CD2 4.22Å; F124-F129 AromaticContact CZ-CG 3.85Å; F124-F129 HydrophobicContact CZ-CG 3.85Å | ||
| 125 | K | 97.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 75.5 Ų | 75.5 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | trans | -131.3 | 92.2 | 180 | -60.7 | -62.2 | 170.3 | -160.7 | 0 | 108.2 | A59 K127 Q128 F129 | A59-K125 PolarHBondContact O-NZ 3.13Å; K125-K127 PolarHBondContact O-N 3.02Å; K125-Q128 HydrophobicContact CB-CB 3.88Å; K125-Q128 HydrophobicContact CB-CG 3.75Å; K125-Q128 HydrophobicContact CG-CG 4.48Å; K125-Q128 PolarHBondContact O-N 3.25Å; K125-F129 PolarHBondContact O-N 3.08Å | ||
| 126 | V | 98.3 | Very high | 97.3 | Very high | 20 Ų | 20 | 75.9 Ų | 75.9 | 12% | 0.121 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57 | -38.1 | -176.7 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | V44 I46 E60 V104 Y106 F124 Q128 F129 Q130 | V44-V126 HydrophobicContact CB-CG2 4.22Å; V44-V126 HydrophobicContact CG1-CG2 4.07Å; V44-V126 HydrophobicContact CG2-CG2 4.3Å; I46-V126 HydrophobicContact CD1-CB 4.25Å; I46-V126 HydrophobicContact CD1-CG1 3.91Å; E60-V126 VanDerWaalsContact OE2-CB 3.32Å; E60-V126 WeakPolarHBondContact OE2-CB 3.46Å; E60-V126 VanDerWaalsContact OE2-CG1 3.31Å; E60-V126 WeakPolarHBondContact OE2-CG1 3.49Å; E60-V126 PolarHBondContact OE2-N 3.5Å; V104-V126 HydrophobicContact CG2-CG2 4.08Å; Y106-V126 HydrophobicContact CE2-CG2 4.38Å; F124-V126 HydrophobicContact CD1-CB 4.4Å; F124-V126 HydrophobicContact CE1-CB 4.06Å; F124-V126 HydrophobicContact CE1-CG2 4.42Å; V126-Q128 PolarHBondContact O-N 3.34Å; V126-F129 WeakPolarHBondContact O-CB 3.44Å; V126-F129 PolarHBondContact O-N 2.78Å; V126-Q130 WeakPolarHBondContact O-CB 3.35Å; V126-Q130 PolarHBondContact O-N 2.88Å |
| 127 | K | 98 | Very high | 97.2 | Very high | 137 Ų | 137 | 75.1 Ų | 75.1 | 60% | 0.596 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 175.1 | -174.2 | 175.5 | 175 | -179.8 | 0 | 112.3 | K125 F129 Q130 E131 | K125-K127 PolarHBondContact O-N 3.02Å; K127-F129 VanDerWaalsContact C-N 3.33Å; K127-F129 PolarHBondContact O-N 3.08Å; K127-Q130 WeakPolarHBondContact O-CB 3.44Å; K127-Q130 PolarHBondContact O-N 2.99Å; K127-E131 WeakPolarHBondContact CE-OE1 3.44Å; K127-E131 HydrophobicContact CG-CG 4.48Å; K127-E131 IonicContact NZ-OE1 3.95Å; K127-E131 WeakPolarHBondContact O-CB 3.41Å; K127-E131 VanDerWaalsContact O-CG 3.29Å; K127-E131 WeakPolarHBondContact O-CG 3.46Å; K127-E131 PolarHBondContact O-N 2.91Å |
| 128 | Q | 98.2 | Very high | 97.2 | Very high | 127 Ų | 127 | 71.9 Ų | 71.9 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.8 | -37 | 177 | -65.8 | 178.7 | -0.3 | 0 | 0 | 111.5 | K125 V126 K132 | K125-Q128 HydrophobicContact CB-CB 3.88Å; K125-Q128 HydrophobicContact CB-CG 3.75Å; K125-Q128 HydrophobicContact CG-CG 4.48Å; K125-Q128 PolarHBondContact O-N 3.25Å; V126-Q128 PolarHBondContact O-N 3.34Å; Q128-K132 WeakPolarHBondContact O-CB 3.29Å; Q128-K132 PolarHBondContact O-N 3.44Å |
| 129 | F | 98.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 72.8 Ų | 72.8 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 173.3 | 168.5 | -98 | 0 | 0 | 0 | 111.5 | V44 L65 V67 V113 Q115 F124 K125 V126 K127 K132 H133 L135 | V44-F129 HydrophobicContact CG2-CD1 4.09Å; V44-F129 HydrophobicContact CG2-CE1 3.84Å; L65-F129 HydrophobicContact CD1-CE1 4.27Å; L65-F129 HydrophobicContact CD1-CE2 4.25Å; L65-F129 HydrophobicContact CD1-CZ 3.93Å; V67-F129 HydrophobicContact CG1-CE2 4.36Å; V67-F129 HydrophobicContact CG1-CZ 3.93Å; V113-F129 HydrophobicContact CG1-CE2 4.01Å; V113-F129 HydrophobicContact CG1-CZ 4.13Å; Q115-F129 HydrophobicContact CB-CE2 4.37Å; Q115-F129 HydrophobicContact CG-CD2 4.39Å; Q115-F129 HydrophobicContact CG-CE2 4.17Å; F124-F129 HydrophobicContact CE1-CB 4.21Å; F124-F129 HydrophobicContact CE2-CB 4.4Å; F124-F129 HydrophobicContact CZ-CB 3.63Å; F124-F129 HydrophobicContact CZ-CD1 4.45Å; F124-F129 HydrophobicContact CZ-CD2 4.22Å; F124-F129 AromaticContact CZ-CG 3.85Å; F124-F129 HydrophobicContact CZ-CG 3.85Å; K125-F129 PolarHBondContact O-N 3.08Å; V126-F129 WeakPolarHBondContact O-CB 3.44Å; V126-F129 PolarHBondContact O-N 2.78Å; K127-F129 VanDerWaalsContact C-N 3.33Å; K127-F129 PolarHBondContact O-N 3.08Å; F129-K132 PolarHBondContact O-N 2.92Å; F129-H133 AromaticContact CD2-CD2 3.53Å; F129-H133 AromaticContact CD2-NE2 3.92Å; F129-H133 AromaticContact CE2-CD2 3.46Å; F129-H133 VanDerWaalsContact CE2-CD2 3.46Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.49Å; F129-H133 AromaticContact CE2-NE2 3.84Å; F129-H133 PolarHBondContact O-CD2 3.42Å; F129-H133 VanDerWaalsContact O-CD2 3.24Å; F129-H133 PolarHBondContact O-N 2.88Å; F129-L135 HydrophobicContact CD1-CD1 4.03Å; F129-L135 HydrophobicContact CE1-CD1 3.41Å; F129-L135 VanDerWaalsContact CE1-CD1 3.41Å; F129-L135 HydrophobicContact CZ-CD1 3.97Å |
| 130 | Q | 97.5 | Very high | 97.1 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 23% | 0.234 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 176.2 | 177.1 | -166.1 | -39.1 | 0 | 0 | 111.8 | Y106 V126 K127 H133 N134 L135 G136 | Y106-Q130 HydrophobicContact CD1-CG 4.31Å; Y106-Q130 HydrophobicContact CE1-CB 4.08Å; Y106-Q130 HydrophobicContact CE1-CG 3.57Å; Y106-Q130 PolarHBondContact OH-OE1 2.96Å; V126-Q130 WeakPolarHBondContact O-CB 3.35Å; V126-Q130 PolarHBondContact O-N 2.88Å; K127-Q130 WeakPolarHBondContact O-CB 3.44Å; K127-Q130 PolarHBondContact O-N 2.99Å; Q130-H133 PolarHBondContact O-N 2.81Å; Q130-N134 PolarHBondContact O-N 2.97Å; Q130-L135 HydrophobicContact CG-CB 4.17Å; Q130-L135 PolarHBondContact O-N 3.31Å; Q130-G136 VanDerWaalsContact CG-O 3.27Å; Q130-G136 WeakPolarHBondContact CG-O 3.5Å; Q130-G136 PolarHBondContact NE2-O 3.49Å |
| 131 | E | 97 | Very high | 97 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | -179.5 | -72.7 | 169.6 | 170.7 | 0 | 0 | 111.6 | K127 H133 N134 | K127-E131 WeakPolarHBondContact CE-OE1 3.44Å; K127-E131 HydrophobicContact CG-CG 4.48Å; K127-E131 IonicContact NZ-OE1 3.95Å; K127-E131 WeakPolarHBondContact O-CB 3.41Å; K127-E131 VanDerWaalsContact O-CG 3.29Å; K127-E131 WeakPolarHBondContact O-CG 3.46Å; K127-E131 PolarHBondContact O-N 2.91Å; E131-H133 PolarHBondContact O-N 3.41Å; E131-N134 PolarHBondContact O-N 3.21Å; E131-N134 VanDerWaalsContact O-N 3.13Å |
| 132 | K | 96.9 | Very high | 96.9 | Very high | 120 Ų | 120 | 59.2 Ų | 59.2 | 52% | 0.522 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.8 | -38.8 | 178.7 | 178 | -178.6 | 175.8 | -172.7 | 0 | 112.4 | Q128 F129 | Q128-K132 WeakPolarHBondContact O-CB 3.29Å; Q128-K132 PolarHBondContact O-N 3.44Å; F129-K132 PolarHBondContact O-N 2.92Å |
| 133 | H | 96.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 63 Ų | 63 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 5 | -176.4 | -64.9 | -65.6 | 0 | 0 | 0 | 113.7 | V113 S114 Q115 F129 Q130 E131 L135 | V113-H133 HydrophobicContact CG2-CB 4.29Å; S114-H133 PolarHBondContact O-CE1 3.48Å; Q115-H133 PolarHBondContact OE1-NE2 3.49Å; F129-H133 AromaticContact CD2-CD2 3.53Å; F129-H133 AromaticContact CD2-NE2 3.92Å; F129-H133 AromaticContact CE2-CD2 3.46Å; F129-H133 VanDerWaalsContact CE2-CD2 3.46Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.49Å; F129-H133 AromaticContact CE2-NE2 3.84Å; F129-H133 PolarHBondContact O-CD2 3.42Å; F129-H133 VanDerWaalsContact O-CD2 3.24Å; F129-H133 PolarHBondContact O-N 2.88Å; Q130-H133 PolarHBondContact O-N 2.81Å; E131-H133 PolarHBondContact O-N 3.41Å; H133-L135 VanDerWaalsContact C-N 3.28Å; H133-L135 HydrophobicContact CB-CD1 4.3Å; H133-L135 HydrophobicContact CB-CD2 4.1Å; H133-L135 HydrophobicContact CB-CG 3.84Å; H133-L135 PolarHBondContact O-N 2.88Å |
| 134 | N | 95 | Very high | 96.8 | Very high | 123 Ų | 123 | 56.9 Ų | 56.9 | 66% | 0.658 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 43.6 | -178.7 | -60.6 | -67.7 | 0 | 0 | 0 | 113.4 | Q130 E131 G136 | Q130-N134 PolarHBondContact O-N 2.97Å; E131-N134 PolarHBondContact O-N 3.21Å; E131-N134 VanDerWaalsContact O-N 3.13Å; N134-G136 PolarHBondContact O-N 3.37Å |
| 135 | L | 95.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | trans | -76.1 | 1.1 | -172.9 | -65.9 | -179.5 | 0 | 0 | 0 | 114.9 | Y106 H108 V113 F129 Q130 H133 | Y106-L135 HydrophobicContact CD1-CB 3.73Å; Y106-L135 HydrophobicContact CD1-CD1 4.36Å; Y106-L135 HydrophobicContact CD2-CD1 3.94Å; Y106-L135 HydrophobicContact CE1-CB 4.42Å; Y106-L135 HydrophobicContact CG-CB 3.92Å; Y106-L135 HydrophobicContact CG-CD1 3.83Å; Y106-L135 HydrophobicContact CG-CG 4.47Å; H108-L135 HydrophobicContact CB-CD2 4.12Å; V113-L135 HydrophobicContact CG2-CD2 3.85Å; F129-L135 HydrophobicContact CD1-CD1 4.03Å; F129-L135 HydrophobicContact CE1-CD1 3.41Å; F129-L135 VanDerWaalsContact CE1-CD1 3.41Å; F129-L135 HydrophobicContact CZ-CD1 3.97Å; Q130-L135 HydrophobicContact CG-CB 4.17Å; Q130-L135 PolarHBondContact O-N 3.31Å; H133-L135 VanDerWaalsContact C-N 3.28Å; H133-L135 HydrophobicContact CB-CD1 4.3Å; H133-L135 HydrophobicContact CB-CD2 4.1Å; H133-L135 HydrophobicContact CB-CG 3.84Å; H133-L135 PolarHBondContact O-N 2.88Å | ||
| 136 | G | 93.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | trans | 62.8 | -157.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q130 N134 | Q130-G136 VanDerWaalsContact CG-O 3.27Å; Q130-G136 WeakPolarHBondContact CG-O 3.5Å; Q130-G136 PolarHBondContact NE2-O 3.49Å; N134-G136 PolarHBondContact O-N 3.37Å | ||
| 137 | A | 94.9 | Very high | 96.8 | Very high | 75 Ų | 75 | 55.7 Ų | 55.7 | 62% | 0.62 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -80 | 152.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | V139 | A137-V139 PolarHBondContact O-N 3.2Š|
| 138 | P | 96.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | trans | -57.2 | 134.8 | 169.8 | -19.3 | 29.7 | 0 | 0 | 0 | 111.2 | V104 L105 Y106 | V104-P138 HydrophobicContact CB-CB 4.27Å; V104-P138 HydrophobicContact CB-CG 4.39Å; V104-P138 HydrophobicContact CG1-CB 4.47Å; V104-P138 HydrophobicContact CG1-CG 4.37Å; L105-P138 CarbonylContact O-C 3.54Å; L105-P138 VanDerWaalsContact O-CA 3.32Å; L105-P138 WeakPolarHBondContact O-CA 3.15Å; Y106-P138 HydrophobicContact CD1-CB 4.45Å; Y106-P138 HydrophobicContact CD1-CG 4.3Å; Y106-P138 HydrophobicContact CE1-CB 4.19Å; Y106-P138 HydrophobicContact CE1-CG 3.59Å | ||
| 139 | V | 96.2 | Very high | 96.5 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 24% | 0.242 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -85.7 | -22.2 | 175.9 | -65 | 0 | 0 | 0 | 0 | 112.5 | Y33 Y41 L105 E107 A137 | Y33-V139 HydrophobicContact CE1-CG2 4.24Å; Y41-V139 HydrophobicContact CD1-CG2 4.3Å; Y41-V139 HydrophobicContact CE1-CG2 4.03Å; L105-V139 HydrophobicContact CB-CG2 4.41Å; L105-V139 HydrophobicContact CD2-CG2 4.28Å; L105-V139 HydrophobicContact CG-CG2 4.32Å; L105-V139 WeakPolarHBondContact O-CG2 3.49Å; L105-V139 PolarHBondContact O-N 3.13Å; E107-V139 HydrophobicContact CB-CB 4.46Å; E107-V139 HydrophobicContact CB-CG1 3.58Å; E107-V139 HydrophobicContact CB-CG2 4.06Å; A137-V139 PolarHBondContact O-N 3.2Å |
| 140 | A | 96.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 152.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N3 F5 Y33 L105 | N3-A140 WeakPolarHBondContact O-CA 3.46Å; N3-A140 WeakPolarHBondContact O-CB 3.32Å; F5-A140 HydrophobicContact CB-CB 4.14Å; F5-A140 HydrophobicContact CD1-CB 4.31Å; F5-A140 HydrophobicContact CD2-CB 4.25Å; F5-A140 HydrophobicContact CG-CB 4.01Å; Y33-A140 HydrophobicContact CD2-CB 4.15Å; Y33-A140 HydrophobicContact CE2-CB 3.73Å; L105-A140 HydrophobicContact CB-CB 4.05Å; L105-A140 HydrophobicContact CD2-CB 4.4Å; L105-A140 PolarHBondContact N-O 3.03Å; L105-A140 PolarHBondContact O-N 2.89Å |
| 141 | G | 96 | Very high | 95.8 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 153.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L103 | L103-G141 WeakPolarHBondContact O-CA 3.48Å |
| 142 | L | 96.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 150 | 176.3 | 179.9 | 137.7 | 0 | 0 | 0 | 107.3 | V4 F5 V7 V14 P16 L103 F144 | V4-L142 HydrophobicContact CG1-CD1 4.13Å; F5-L142 HydrophobicContact CD1-CB 4.22Å; F5-L142 HydrophobicContact CE1-CB 3.52Å; F5-L142 HydrophobicContact CZ-CB 4.49Å; V7-L142 HydrophobicContact CG2-CD2 4.33Å; V14-L142 HydrophobicContact CB-CD2 4.4Å; V14-L142 HydrophobicContact CG1-CD1 4.46Å; V14-L142 HydrophobicContact CG1-CD2 3.78Å; V14-L142 VanDerWaalsContact O-CD1 3.23Å; V14-L142 WeakPolarHBondContact O-CD1 3.42Å; P16-L142 HydrophobicContact CG-CD1 4.05Å; P16-L142 HydrophobicContact CG-CG 4.35Å; L103-L142 PolarHBondContact N-O 3.05Å; L103-L142 PolarHBondContact O-N 2.79Å; L142-F144 HydrophobicContact CD2-CD1 4.1Å |
| 143 | Y | 97.3 | Very high | 95 | Very high | 100 Ų | 100 | 52.9 Ų | 52.9 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.8 | 163.8 | 78.9 | -80.2 | 0 | 0 | 0 | 110 | P16 G17 R100 Y101 I145 | P16-Y143 CarbonylContact C-O 3.48Å; P16-Y143 WeakPolarHBondContact CA-O 3Å; G17-Y143 PolarHBondContact N-O 3.02Å; R100-Y143 HydrophobicContact CG-CD2 4.36Å; Y101-Y143 CarbonylContact O-C 2.92Å; Y101-Y143 WeakPolarHBondContact O-CA 3.34Å; Y101-Y143 WeakPolarHBondContact O-CB 3.42Å; Y143-I145 HydrophobicContact CE2-CD1 4.45Å; Y143-I145 HydrophobicContact CE2-CG1 4.27Å |
| 144 | F | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 172.9 | 167.8 | 61.5 | -98.1 | 0 | 0 | 0 | 109.3 | Y9 V14 D18 L20 L25 M45 P90 R100 Y101 L103 L142 | Y9-F144 AromaticContact CE2-CE1 3.89Å; Y9-F144 HydrophobicContact CE2-CE1 3.89Å; Y9-F144 HydrophobicContact CE2-CZ 4.2Å; V14-F144 HydrophobicContact CG1-CB 3.83Å; V14-F144 HydrophobicContact CG1-CD1 4.2Å; V14-F144 HydrophobicContact CG1-CG 4.34Å; D18-F144 CarbonylContact O-C 3.51Å; D18-F144 WeakPolarHBondContact O-CA 3.38Å; D18-F144 WeakPolarHBondContact O-CB 3.04Å; L20-F144 HydrophobicContact CB-CD2 4.44Å; L20-F144 HydrophobicContact CD1-CB 3.99Å; L20-F144 HydrophobicContact CD1-CD1 4.2Å; L20-F144 HydrophobicContact CD1-CD2 3.78Å; L20-F144 HydrophobicContact CD1-CE2 4.29Å; L20-F144 HydrophobicContact CD1-CG 3.73Å; L20-F144 HydrophobicContact CG-CB 4.4Å; L20-F144 HydrophobicContact CG-CD2 4.33Å; L20-F144 HydrophobicContact CG-CG 4.48Å; L25-F144 HydrophobicContact CD1-CD2 4.33Å; L25-F144 HydrophobicContact CD1-CE2 3.57Å; L25-F144 HydrophobicContact CD1-CZ 4.26Å; L25-F144 HydrophobicContact CD2-CD2 4.49Å; L25-F144 HydrophobicContact CD2-CE2 3.73Å; L25-F144 HydrophobicContact CD2-CZ 3.72Å; L25-F144 HydrophobicContact CG-CE2 4.31Å; M45-F144 HydrophobicContact CE-CE1 4.15Å; M45-F144 HydrophobicContact CE-CZ 3.72Å; P90-F144 HydrophobicContact CG-CE2 4.25Å; P90-F144 HydrophobicContact CG-CZ 4.12Å; R100-F144 CarbonylContact C-O 3.4Å; R100-F144 WeakPolarHBondContact CA-O 3.14Å; Y101-F144 VanDerWaalsContact CB-CE2 3.48Å; Y101-F144 VanDerWaalsContact CB-CZ 3.42Å; Y101-F144 AromaticContact CD2-CD2 3.9Å; Y101-F144 HydrophobicContact CD2-CD2 3.9Å; Y101-F144 AromaticContact CD2-CE2 3.41Å; Y101-F144 HydrophobicContact CD2-CE2 3.41Å; Y101-F144 VanDerWaalsContact CD2-CE2 3.41Å; Y101-F144 HydrophobicContact CD2-CZ 4.16Å; Y101-F144 HydrophobicContact CE2-CE2 4.4Å; Y101-F144 HydrophobicContact CG-CD2 4.33Å; Y101-F144 AromaticContact CG-CE2 3.61Å; Y101-F144 HydrophobicContact CG-CE2 3.61Å; Y101-F144 AromaticContact CG-CZ 3.88Å; Y101-F144 HydrophobicContact CG-CZ 3.88Å; Y101-F144 PolarHBondContact N-O 2.77Å; Y101-F144 PolarHBondContact O-N 2.77Å; L103-F144 HydrophobicContact CD1-CD1 4.24Å; L103-F144 HydrophobicContact CD1-CE1 3.78Å; L142-F144 HydrophobicContact CD2-CD1 4.1Å |
| 145 | I | 98.5 | Very high | 94.9 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.5 | -177.4 | -60 | 172.8 | 0 | 0 | 0 | 109 | D18 K19 L20 Q98 H99 Y143 | D18-I145 PolarHBondContact O-N 3.33Å; K19-I145 CarbonylContact C-O 3.43Å; K19-I145 WeakPolarHBondContact CA-O 2.92Å; K19-I145 HydrophobicContact CG-CB 4.24Å; K19-I145 HydrophobicContact CG-CG2 4.45Å; L20-I145 PolarHBondContact N-O 2.84Å; Q98-I145 HydrophobicContact CB-CG2 3.69Å; Q98-I145 HydrophobicContact CG-CG2 3.8Å; H99-I145 VanDerWaalsContact O-CA 3.28Å; H99-I145 WeakPolarHBondContact O-CA 3.38Å; Y143-I145 HydrophobicContact CE2-CD1 4.45Å; Y143-I145 HydrophobicContact CE2-CG1 4.27Å |
| 146 | A | 98.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 155.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L20 L25 H99 Y101 | L20-A146 VanDerWaalsContact O-CB 3.31Å; L20-A146 WeakPolarHBondContact O-CB 3.32Å; L25-A146 HydrophobicContact CD1-CB 3.74Å; H99-A146 PolarHBondContact N-O 3.05Å; H99-A146 PolarHBondContact O-N 3.48Å; Y101-A146 HydrophobicContact CD2-CB 4.23Å; Y101-A146 HydrophobicContact CE2-CB 3.69Å |
| 147 | Q | 97.7 | Very high | 94.9 | Very high | 79 Ų | 79 | 53.1 Ų | 53.1 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | trans | -139.6 | 166.8 | 173 | 67.1 | 179 | 40.8 | 0 | 0 | 108.6 | P22 P92 G97 Q98 E151 | P22-Q147 WeakPolarHBondContact CD-O 3.13Å; P22-Q147 WeakPolarHBondContact CG-O 3.35Å; P92-Q147 VanDerWaalsContact CG-C 3.42Å; G97-Q147 WeakPolarHBondContact O-CB 3.18Å; Q98-Q147 HydrophobicContact CG-CB 4.18Å; Q147-E151 HydrophobicContact CB-CG 3.99Å; Q147-E151 HydrophobicContact CG-CG 4.11Å | ||
| 148 | N | 97.3 | Very high | 94.9 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | trans | -63.4 | 140.3 | 176.2 | -164.6 | -84 | 0 | 0 | 0 | 110.2 | P92 P94 N150 E151 | P92-N148 WeakPolarHBondContact O-CB 3.48Å; P92-N148 PolarHBondContact O-ND2 3.14Å; P94-N148 WeakPolarHBondContact CD-ND2 3.4Å; N148-N150 PolarHBondContact O-N 2.76Å; N148-N150 VanDerWaalsContact O-N 3.11Å; N148-N150 WeakPolarHBondContact OD1-CB 3.27Å; N148-N150 PolarHBondContact OD1-N 3.06Å; N148-E151 HydrophobicContact CB-CG 4.34Å; N148-E151 PolarHBondContact O-N 3.03Å; N148-E151 VanDerWaalsContact O-N 3.13Å | ||
| 149 | D | 93.7 | Very high | 94.8 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 43% | 0.428 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.4 | 176.8 | -73.4 | -16.1 | 0 | 0 | 0 | 111.8 | S21 P22 R23 | S21-D149 PolarHBondContact OG-OD1 2.86Å; P22-D149 WeakPolarHBondContact CD-OD1 3.47Å; R23-D149 IonicContact CZ-OD2 3.83Å; R23-D149 IonicContact NE-OD2 2.83Å; R23-D149 PolarHBondContact NE-OD2 3.19Å; R23-D149 IonicContact NH2-OD2 3.71Å |
| 150 | N | 92.2 | Very high | 94.7 | Very high | 127 Ų | 127 | 52.2 Ų | 52.2 | 68% | 0.679 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 30.3 | 179.4 | -53.7 | -49.3 | 0 | 0 | 0 | 113 | N148 | N148-N150 PolarHBondContact O-N 2.76Å; N148-N150 VanDerWaalsContact O-N 3.11Å; N148-N150 WeakPolarHBondContact OD1-CB 3.27Å; N148-N150 PolarHBondContact OD1-N 3.06Å |
| 151 | E | 87.5 | Confident | 94.6 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | trans | -55.3 | 135.7 | 165.6 | -80 | -62.9 | 138.3 | 0 | 0 | 109.8 | R95 T96 G97 Q147 N148 | R95-E151 WeakPolarHBondContact CA-OE1 3.31Å; R95-E151 PolarHBondContact N-OE1 2.92Å; T96-E151 PolarHBondContact N-OE1 3.1Å; T96-E151 VanDerWaalsContact N-OE1 3.17Å; G97-E151 PolarHBondContact N-OE1 2.9Å; G97-E151 PolarHBondContact N-OE2 2.7Å; Q147-E151 HydrophobicContact CB-CG 3.99Å; Q147-E151 HydrophobicContact CG-CG 4.11Å; N148-E151 HydrophobicContact CB-CG 4.34Å; N148-E151 PolarHBondContact O-N 3.03Å; N148-E151 VanDerWaalsContact O-N 3.13Å | ||
| 152 | P | 82.1 | Confident | 94.4 | Very high | 158 Ų | 158 | 58.7 Ų | 58.7 | 100% | 1.026 | 31% | 0.31 | S | S | * | . | trans | -68.8 | 0 | 178.8 | 30.8 | -35 | 0 | 0 | 0 | 113.2 | R95 | R95-P152 HydrophobicContact CG-CG 4.29Š|
Retrieved 152 of 152 residues in 93.2 ms
(Link to these results)