| 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 | 42.1 | Very low | 53.4 | Low | 237 Ų | 237 | 86.6 Ų | 86.6 | 100% | 1.167 | 50% | 0.496 | S | S | * | . | 0 | 2 | 0 | -81.5 | -163.8 | 159.7 | 0 | 0 | 115.1 | |||||
| 2 | L | 38.8 | Very low | 53.8 | Low | 142 Ų | 142 | 79.8 Ų | 79.8 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | trans | -89.3 | -17.7 | -175 | -142.9 | 76.5 | 0 | 0 | 0 | 115.5 | ||||
| 3 | S | 49.3 | Very low | 54.1 | Low | 84 Ų | 84 | 83 Ų | 83 | 59% | 0.587 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.5 | -36.7 | -174.7 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | C5 I6 S7 | S3-C5 PolarHBondContact O-N 3.15Å; S3-I6 PolarHBondContact O-N 3.24Å; S3-S7 PolarHBondContact O-N 2.58Å; S3-S7 PolarHBondContact O-OG 3.33Å; S3-S7 VanDerWaalsContact O-OG 3.05Å |
| 4 | G | 47.4 | Very low | 54.4 | Low | 20 Ų | 20 | 80.8 Ų | 80.8 | 21% | 0.206 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y8 | G4-Y8 PolarHBondContact O-N 3.24Å |
| 5 | C | 54.4 | Low | 54.4 | Low | 100 Ų | 100 | 76.1 Ų | 76.1 | 68% | 0.676 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -72.5 | -40.1 | 179.8 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | S3 S7 Y8 A9 | S3-C5 PolarHBondContact O-N 3.15Å; C5-S7 VanDerWaalsContact C-N 3.34Å; C5-Y8 PolarHBondContact O-N 2.96Å; C5-A9 PolarHBondContact O-N 3.12Å |
| 6 | I | 55 | Low | 54.4 | Low | 107 Ų | 107 | 84.4 Ų | 84.4 | 55% | 0.549 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 177.2 | -63 | 173.7 | 0 | 0 | 0 | 109.2 | S3 L10 | S3-I6 PolarHBondContact O-N 3.24Å; I6-L10 WeakPolarHBondContact O-CB 3.49Å; I6-L10 PolarHBondContact O-N 3.07Å |
| 7 | S | 59.1 | Low | 54.5 | Low | 49 Ų | 49 | 83.4 Ų | 83.4 | 34% | 0.343 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | S3 C5 V11 | S3-S7 PolarHBondContact O-N 2.58Å; S3-S7 PolarHBondContact O-OG 3.33Å; S3-S7 VanDerWaalsContact O-OG 3.05Å; C5-S7 VanDerWaalsContact C-N 3.34Å; S7-V11 VanDerWaalsContact O-CB 3.29Å; S7-V11 WeakPolarHBondContact O-CB 3.34Å; S7-V11 WeakPolarHBondContact O-CG2 2.98Å; S7-V11 PolarHBondContact O-N 3.13Å |
| 8 | Y | 58.5 | Low | 54.7 | Low | 60 Ų | 60 | 82.3 Ų | 82.3 | 24% | 0.235 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 178.3 | -178.2 | -88.6 | 0 | 0 | 0 | 112.4 | G4 C5 L10 V11 S12 Y22 | G4-Y8 PolarHBondContact O-N 3.24Å; C5-Y8 PolarHBondContact O-N 2.96Å; Y8-L10 PolarHBondContact O-N 3.02Å; Y8-V11 PolarHBondContact O-N 2.87Å; Y8-S12 VanDerWaalsContact O-CB 3.28Å; Y8-S12 WeakPolarHBondContact O-CB 3.32Å; Y8-S12 PolarHBondContact O-N 3.12Å; Y8-S12 PolarHBondContact O-OG 3Å; Y8-Y22 AromaticContact CD2-CE1 3.6Å; Y8-Y22 HydrophobicContact CD2-CE1 3.6Å; Y8-Y22 AromaticContact CD2-CZ 3.75Å; Y8-Y22 HydrophobicContact CE2-CE1 4.34Å |
| 9 | A | 61.5 | Low | 55.4 | Low | 40 Ų | 40 | 82.7 Ų | 82.7 | 33% | 0.331 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.4 | -52 | -179 | 0 | 0 | 0 | 0 | 0 | 109.9 | C5 V11 S12 H13 | C5-A9 PolarHBondContact O-N 3.12Å; A9-V11 PolarHBondContact O-N 3.12Å; A9-S12 PolarHBondContact O-N 3.1Å; A9-S12 PolarHBondContact O-OG 3.24Å; A9-S12 VanDerWaalsContact O-OG 3.07Å; A9-H13 WeakPolarHBondContact O-CB 3.5Å; A9-H13 PolarHBondContact O-CD2 3.43Å; A9-H13 PolarHBondContact O-N 3.34Å |
| 10 | L | 59.3 | Low | 56.5 | Low | 87 Ų | 87 | 79.5 Ų | 79.5 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | -179 | -146.1 | 84.2 | 0 | 0 | 0 | 112.7 | I6 Y8 H13 T14 V180 | I6-L10 WeakPolarHBondContact O-CB 3.49Å; I6-L10 PolarHBondContact O-N 3.07Å; Y8-L10 PolarHBondContact O-N 3.02Å; L10-H13 PolarHBondContact O-N 3.12Å; L10-T14 VanDerWaalsContact O-CG2 3.32Å; L10-T14 WeakPolarHBondContact O-CG2 3.38Å; L10-T14 PolarHBondContact O-N 3.08Å; L10-T14 PolarHBondContact O-OG1 2.79Å; L10-V180 HydrophobicContact CD2-CG2 3.74Å |
| 11 | V | 61.7 | Low | 57.7 | Low | 27 Ų | 27 | 80.3 Ų | 80.3 | 16% | 0.164 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 179.1 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | S7 Y8 A9 H13 T14 A15 Y162 | S7-V11 VanDerWaalsContact O-CB 3.29Å; S7-V11 WeakPolarHBondContact O-CB 3.34Å; S7-V11 WeakPolarHBondContact O-CG2 2.98Å; S7-V11 PolarHBondContact O-N 3.13Å; Y8-V11 PolarHBondContact O-N 2.87Å; A9-V11 PolarHBondContact O-N 3.12Å; V11-H13 VanDerWaalsContact C-N 3.29Å; V11-H13 PolarHBondContact O-N 3.27Å; V11-T14 PolarHBondContact O-N 2.81Å; V11-T14 PolarHBondContact O-OG1 3.39Å; V11-A15 VanDerWaalsContact O-CB 3.23Å; V11-A15 WeakPolarHBondContact O-CB 3.37Å; V11-A15 PolarHBondContact O-N 2.72Å; V11-Y162 HydrophobicContact CG1-CD1 3.43Å; V11-Y162 VanDerWaalsContact CG1-CD1 3.43Å; V11-Y162 HydrophobicContact CG1-CD2 4Å; V11-Y162 HydrophobicContact CG1-CE1 3.41Å; V11-Y162 VanDerWaalsContact CG1-CE1 3.41Å; V11-Y162 HydrophobicContact CG1-CE2 4.03Å; V11-Y162 HydrophobicContact CG1-CG 3.71Å |
| 12 | S | 58.1 | Low | 59.5 | Low | 5 Ų | 5 | 69.8 Ų | 69.8 | 4% | 0.035 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.9 | -27 | 180 | 66.8 | 0 | 0 | 0 | 0 | 113.7 | Y8 A9 | Y8-S12 VanDerWaalsContact O-CB 3.28Å; Y8-S12 WeakPolarHBondContact O-CB 3.32Å; Y8-S12 PolarHBondContact O-N 3.12Å; Y8-S12 PolarHBondContact O-OG 3Å; A9-S12 PolarHBondContact O-N 3.1Å; A9-S12 PolarHBondContact O-OG 3.24Å; A9-S12 VanDerWaalsContact O-OG 3.07Å |
| 13 | H | 58.6 | Low | 61.7 | Low | 121 Ų | 121 | 66.4 Ų | 66.4 | 56% | 0.56 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -79.6 | -36.3 | 175.1 | -76.3 | -61.4 | 0 | 0 | 0 | 113.3 | A9 L10 V11 | A9-H13 WeakPolarHBondContact O-CB 3.5Å; A9-H13 PolarHBondContact O-CD2 3.43Å; A9-H13 PolarHBondContact O-N 3.34Å; L10-H13 PolarHBondContact O-N 3.12Å; V11-H13 VanDerWaalsContact C-N 3.29Å; V11-H13 PolarHBondContact O-N 3.27Å |
| 14 | T | 58.5 | Low | 63.3 | Low | 52 Ų | 52 | 63.2 Ų | 63.2 | 32% | 0.319 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -80.4 | -22.7 | 179.3 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | L10 V11 K16 L176 | L10-T14 VanDerWaalsContact O-CG2 3.32Å; L10-T14 WeakPolarHBondContact O-CG2 3.38Å; L10-T14 PolarHBondContact O-N 3.08Å; L10-T14 PolarHBondContact O-OG1 2.79Å; V11-T14 PolarHBondContact O-N 2.81Å; V11-T14 PolarHBondContact O-OG1 3.39Å; T14-K16 PolarHBondContact O-N 2.99Å; T14-L176 HydrophobicContact CG2-CD2 4.07Å |
| 15 | A | 54.2 | Low | 65.3 | Low | 11 Ų | 11 | 66 Ų | 66 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | trans | -68.1 | 89.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V11 G17 S18 Y162 | V11-A15 VanDerWaalsContact O-CB 3.23Å; V11-A15 WeakPolarHBondContact O-CB 3.37Å; V11-A15 PolarHBondContact O-N 2.72Å; A15-G17 PolarHBondContact O-N 2.79Å; A15-S18 WeakPolarHBondContact CB-O 3.43Å; A15-Y162 HydrophobicContact CB-CD2 3.93Å; A15-Y162 HydrophobicContact CB-CE2 3.35Å | ||
| 16 | K | 54.3 | Low | 67.2 | Low | 209 Ų | 209 | 64.6 Ų | 64.6 | 91% | 0.909 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -66.6 | 70.6 | 175.5 | -68 | -177.9 | 178.6 | 179.5 | 0 | 112 | T14 S18 | T14-K16 PolarHBondContact O-N 2.99Å; K16-S18 PolarHBondContact O-N 3.12Å |
| 17 | G | 55.1 | Low | 69.2 | Low | 67 Ų | 67 | 59.9 Ų | 59.9 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 84.2 | -1.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A15 | A15-G17 PolarHBondContact O-N 2.79Š|
| 18 | S | 59.2 | Low | 71 | Confident | 63 Ų | 63 | 59 Ų | 59 | 44% | 0.441 | 34% | 0.337 | S | S | . | . | trans | -92.1 | 131.7 | 173.6 | 54.8 | 0 | 0 | 0 | 0 | 111 | A15 K16 Y162 | A15-S18 WeakPolarHBondContact CB-O 3.43Å; K16-S18 PolarHBondContact O-N 3.12Å; S18-Y162 VanDerWaalsContact O-CE2 3.27Å; S18-Y162 WeakPolarHBondContact O-CE2 3.32Å | ||
| 19 | S | 68.2 | Low | 72.9 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | trans | -82.7 | 152 | 161.6 | 58 | 0 | 0 | 0 | 0 | 109.3 | Y162 | S19-Y162 WeakPolarHBondContact CA-O 3.23Å; S19-Y162 WeakPolarHBondContact CB-O 3.5Å | ||
| 20 | G | 77.1 | Confident | 74.6 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 19% | 0.186 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | -166.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y161 Y162 | G20-Y161 WeakPolarHBondContact O-CA 3.28Å; G20-Y162 VanDerWaalsContact C-CD1 3.46Å; G20-Y162 VanDerWaalsContact CA-CE1 3.42Å; G20-Y162 VanDerWaalsContact CA-CZ 3.47Å; G20-Y162 PolarHBondContact N-O 2.87Å; G20-Y162 WeakPolarHBondContact O-CD1 3.27Å; G20-Y162 PolarHBondContact O-N 3.34Å |
| 21 | K | 80.5 | Confident | 76.3 | Confident | 96 Ų | 96 | 52.1 Ų | 52.1 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.8 | 177 | -67.4 | 175 | -175.7 | 174.2 | 0 | 109.7 | V85 Y159 E160 Y161 | K21-V85 HydrophobicContact CD-CG1 4.21Å; K21-V85 HydrophobicContact CD-CG2 4.22Å; K21-Y159 HydrophobicContact CB-CD1 4.35Å; K21-E160 VanDerWaalsContact CA-O 3.25Å; K21-E160 WeakPolarHBondContact CA-O 3.41Å; K21-Y161 HydrophobicContact CD-CE1 4.18Å; K21-Y161 WeakPolarHBondContact CE-OH 3.42Å; K21-Y161 HydrophobicContact CG-CD1 3.93Å; K21-Y161 HydrophobicContact CG-CE1 3.94Å; K21-Y161 PolarHBondContact NZ-OH 2.9Å |
| 22 | Y | 80.6 | Confident | 77.9 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149 | 171 | 74.1 | -73.8 | 0 | 0 | 0 | 109.4 | Y8 S24 Y159 E160 Y162 | Y8-Y22 AromaticContact CD2-CE1 3.6Å; Y8-Y22 HydrophobicContact CD2-CE1 3.6Å; Y8-Y22 AromaticContact CD2-CZ 3.75Å; Y8-Y22 HydrophobicContact CE2-CE1 4.34Å; Y22-S24 PolarHBondContact O-N 3.18Å; Y22-Y159 VanDerWaalsContact O-CA 3.26Å; Y22-Y159 WeakPolarHBondContact O-CA 3.5Å; Y22-E160 HydrophobicContact CD1-CB 4.17Å; Y22-E160 VanDerWaalsContact CD1-O 3.32Å; Y22-E160 WeakPolarHBondContact CD1-O 3.37Å; Y22-E160 HydrophobicContact CE1-CB 3.44Å; Y22-E160 VanDerWaalsContact CE1-CB 3.44Å; Y22-E160 PolarHBondContact N-O 3.37Å; Y22-E160 PolarHBondContact O-N 3.46Å; Y22-E160 PolarHBondContact OH-OE2 3.07Å; Y22-Y162 HydrophobicContact CD1-CD1 4.01Å |
| 23 | Q | 84.2 | Confident | 79.5 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 121.5 | 173.9 | -178.4 | -176.2 | -29.5 | 0 | 0 | 109 | R157 F158 Y159 | Q23-R157 HydrophobicContact CG-CB 4.44Å; Q23-F158 CarbonylContact C-O 3.28Å; Q23-F158 VanDerWaalsContact CA-O 3.31Å; Q23-F158 WeakPolarHBondContact CA-O 3.15Å; Q23-Y159 HydrophobicContact CB-CD1 4.3Å; Q23-Y159 HydrophobicContact CB-CE1 3.98Å |
| 24 | S | 84.2 | Confident | 80.9 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -31.5 | -178.7 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | Y22 F158 E160 | Y22-S24 PolarHBondContact O-N 3.18Å; S24-F158 PolarHBondContact N-O 2.98Å; S24-E160 WeakPolarHBondContact CB-OE1 3.44Å; S24-E160 PolarHBondContact OG-OE1 3.29Å |
| 25 | Q | 89 | Confident | 81.7 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 173.1 | -178.5 | 60.7 | -179.4 | 39.8 | 0 | 0 | 111.2 | F158 | Q25-F158 HydrophobicContact CG-CB 3.53Å; Q25-F158 HydrophobicContact CG-CD2 3.6Å; Q25-F158 HydrophobicContact CG-CG 3.75Å; Q25-F158 PolarHBondContact O-N 2.9Å |
| 26 | S | 94.2 | Very high | 82.8 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 155.8 | 171 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | V156 | S26-V156 CarbonylContact C-O 3.58Å; S26-V156 WeakPolarHBondContact CA-O 3.29Å; S26-V156 WeakPolarHBondContact CB-O 3.34Å |
| 27 | D | 96.8 | Very high | 83.4 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 167.3 | 169.4 | -160.1 | 10.2 | 0 | 0 | 0 | 109.3 | S50 L51 Y53 K155 V156 F158 | D27-S50 WeakPolarHBondContact OD1-CB 3.45Å; D27-S50 PolarHBondContact OD1-N 3.41Å; D27-S50 PolarHBondContact OD1-OG 2.88Å; D27-S50 VanDerWaalsContact OD1-OG 3.06Å; D27-S50 PolarHBondContact OD2-N 2.93Å; D27-S50 VanDerWaalsContact OD2-N 3.15Å; D27-L51 PolarHBondContact OD2-N 2.84Å; D27-Y53 HydrophobicContact CB-CE2 4.4Å; D27-Y53 WeakPolarHBondContact CB-OH 3.48Å; D27-Y53 PolarHBondContact OD2-OH 2.88Å; D27-K155 WeakPolarHBondContact O-CA 3.34Å; D27-V156 HydrophobicContact CB-CG1 4.01Å; D27-V156 PolarHBondContact N-O 3.3Å; D27-V156 WeakPolarHBondContact O-CG1 3.38Å; D27-V156 PolarHBondContact O-N 3.19Å; D27-F158 HydrophobicContact CB-CE2 4.22Å |
| 28 | T | 98.2 | Very high | 84.4 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.4 | 174.6 | -47.7 | 0 | 0 | 0 | 0 | 109.4 | G48 E49 P153 F154 | T28-G48 CarbonylContact O-C 3.6Å; T28-G48 WeakPolarHBondContact O-CA 3.4Å; T28-E49 VanDerWaalsContact CB-CD 3.44Å; T28-E49 WeakPolarHBondContact CB-OE2 3.2Å; T28-E49 PolarHBondContact O-N 2.91Å; T28-E49 PolarHBondContact OG1-OE2 2.96Å; T28-P153 HydrophobicContact CG2-CB 4.03Å; T28-F154 CarbonylContact C-O 3.58Å; T28-F154 WeakPolarHBondContact CA-O 3.29Å |
| 29 | I | 97.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.6 | 174.3 | -53 | -51.3 | 0 | 0 | 0 | 109.3 | F46 Y53 F150 P153 F154 V156 | I29-F46 HydrophobicContact CD1-CB 4.15Å; I29-F46 HydrophobicContact CG1-CB 4.45Å; I29-F46 HydrophobicContact CG2-CB 3.69Å; I29-F46 HydrophobicContact CG2-CD1 4.05Å; I29-F46 HydrophobicContact CG2-CG 3.91Å; I29-Y53 HydrophobicContact CD1-CD2 3.45Å; I29-Y53 VanDerWaalsContact CD1-CD2 3.45Å; I29-Y53 HydrophobicContact CD1-CE2 3.42Å; I29-Y53 VanDerWaalsContact CD1-CE2 3.42Å; I29-F150 HydrophobicContact CG2-CD2 4.16Å; I29-F150 HydrophobicContact CG2-CE2 3.77Å; I29-P153 CarbonylContact O-C 3.56Å; I29-P153 VanDerWaalsContact O-CA 3.22Å; I29-P153 WeakPolarHBondContact O-CA 3.25Å; I29-P153 WeakPolarHBondContact O-CB 3.32Å; I29-F154 HydrophobicContact CB-CD1 4.17Å; I29-F154 HydrophobicContact CB-CD2 4.22Å; I29-F154 HydrophobicContact CB-CE1 3.78Å; I29-F154 HydrophobicContact CB-CE2 3.81Å; I29-F154 HydrophobicContact CB-CG 4.39Å; I29-F154 HydrophobicContact CB-CZ 3.58Å; I29-F154 HydrophobicContact CG1-CD2 4.26Å; I29-F154 HydrophobicContact CG1-CE1 4.46Å; I29-F154 HydrophobicContact CG1-CE2 3.63Å; I29-F154 HydrophobicContact CG1-CZ 3.76Å; I29-F154 HydrophobicContact CG2-CE1 3.8Å; I29-F154 HydrophobicContact CG2-CE2 4.45Å; I29-F154 HydrophobicContact CG2-CZ 3.73Å; I29-F154 PolarHBondContact N-O 3.05Å; I29-F154 PolarHBondContact O-N 3.26Å; I29-V156 HydrophobicContact CD1-CG1 3.87Å; I29-V156 HydrophobicContact CG1-CB 4.44Å; I29-V156 HydrophobicContact CG1-CG1 3.98Å |
| 30 | T | 96.8 | Very high | 85.5 | Confident | 43 Ų | 43 | 54 Ų | 54 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -17.2 | -173.4 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | V47 E49 F150 | T30-V47 PolarHBondContact N-O 3.28Å; T30-V47 PolarHBondContact OG1-O 3.47Å; T30-E49 HydrophobicContact CG2-CG 3.81Å; T30-F150 PolarHBondContact O-N 2.93Å |
| 31 | G | 95.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | -174.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | F46 V47 M148 | G31-F46 WeakPolarHBondContact O-CA 3.38Å; G31-V47 PolarHBondContact O-N 3.02Å; G31-M148 CarbonylContact C-O 3.54Å; G31-M148 WeakPolarHBondContact CA-O 3.49Å |
| 32 | L | 95.1 | Very high | 85.3 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.3 | 178.8 | -177 | 76.7 | 0 | 0 | 0 | 109.2 | V45 F46 V63 L66 M148 F150 | L32-V45 CarbonylContact C-O 3.6Å; L32-V45 WeakPolarHBondContact CA-O 3.34Å; L32-F46 HydrophobicContact CD1-CD1 3.64Å; L32-F46 HydrophobicContact CD1-CE1 3.8Å; L32-V63 HydrophobicContact CD2-CG2 3.85Å; L32-L66 HydrophobicContact CD2-CD1 4.17Å; L32-M148 HydrophobicContact CB-CB 4.41Å; L32-M148 PolarHBondContact N-O 3.48Å; L32-M148 WeakPolarHBondContact O-CB 3.18Å; L32-M148 PolarHBondContact O-N 3.07Å; L32-F150 HydrophobicContact CB-CE1 3.88Å; L32-F150 HydrophobicContact CB-CZ 3.71Å |
| 33 | S | 92.3 | Very high | 85.5 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 11% | 0.112 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.4 | 169.2 | 68.5 | 0 | 0 | 0 | 0 | 111 | V45 | S33-V45 PolarHBondContact N-O 3.29Å; S33-V45 PolarHBondContact O-N 2.89Å; S33-V45 WeakPolarHBondContact OG-CB 3.34Å |
| 34 | Q | 86.2 | Confident | 85.8 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.7 | 170.7 | -59.6 | -173.3 | 28.5 | 0 | 0 | 108.2 | Y44 | Q34-Y44 HydrophobicContact CG-CD1 4Å; Q34-Y44 HydrophobicContact CG-CE1 3.92Å |
| 35 | A | 76.9 | Confident | 86.3 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 156.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | K42 G43 V45 | A35-K42 CarbonylContact O-C 3.57Å; A35-K42 WeakPolarHBondContact O-CA 3.41Å; A35-G43 PolarHBondContact N-O 3.41Å; A35-G43 PolarHBondContact O-N 2.92Å; A35-G43 VanDerWaalsContact O-O 3.12Å; A35-V45 HydrophobicContact CB-CG2 4.13Å |
| 36 | K | 75.6 | Confident | 86.6 | Confident | 150 Ų | 150 | 53.3 Ų | 53.3 | 65% | 0.652 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.1 | 163.5 | -70.7 | -178.5 | -178.9 | 177.6 | 0 | 107.8 | T41 K42 | K36-T41 VanDerWaalsContact CA-O 3.29Å; K36-T41 WeakPolarHBondContact CA-O 3.35Å; K36-K42 HydrophobicContact CG-CG 4.21Å |
| 37 | D | 68.6 | Low | 86.7 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | trans | -74 | 178.4 | 169.6 | 73.4 | 9.3 | 0 | 0 | 0 | 111.1 | N39 G40 T41 | D37-N39 PolarHBondContact O-N 3.38Å; D37-N39 VanDerWaalsContact OD1-C 3.31Å; D37-N39 VanDerWaalsContact OD1-CA 3.3Å; D37-N39 WeakPolarHBondContact OD1-CA 3.42Å; D37-N39 WeakPolarHBondContact OD1-CB 3.35Å; D37-N39 PolarHBondContact OD1-N 2.95Å; D37-G40 PolarHBondContact O-N 3.25Å; D37-G40 PolarHBondContact OD1-N 2.99Å; D37-T41 VanDerWaalsContact CG-CB 3.43Å; D37-T41 PolarHBondContact N-O 2.82Å; D37-T41 WeakPolarHBondContact OD1-CB 3.18Å; D37-T41 PolarHBondContact OD1-N 2.65Å; D37-T41 PolarHBondContact OD1-OG1 2.97Å; D37-T41 WeakPolarHBondContact OD2-CB 3.46Å; D37-T41 PolarHBondContact OD2-OG1 3.18Å | ||
| 38 | S | 75.4 | Confident | 86.7 | Confident | 121 Ų | 121 | 49.5 Ų | 49.5 | 85% | 0.846 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.7 | 178 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | G40 | S38-G40 VanDerWaalsContact C-N 3.33Š|
| 39 | N | 77.2 | Confident | 86.6 | Confident | 138 Ų | 138 | 53.4 Ų | 53.4 | 74% | 0.738 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.8 | 178 | -58.2 | -34.5 | 0 | 0 | 0 | 111.8 | D37 T41 | D37-N39 PolarHBondContact O-N 3.38Å; D37-N39 VanDerWaalsContact OD1-C 3.31Å; D37-N39 VanDerWaalsContact OD1-CA 3.3Å; D37-N39 WeakPolarHBondContact OD1-CA 3.42Å; D37-N39 WeakPolarHBondContact OD1-CB 3.35Å; D37-N39 PolarHBondContact OD1-N 2.95Å; N39-T41 VanDerWaalsContact C-N 3.27Å; N39-T41 PolarHBondContact O-N 3.22Å |
| 40 | G | 73.4 | Confident | 86.4 | Confident | 45 Ų | 45 | 57 Ų | 57 | 46% | 0.464 | 32% | 0.323 | S | S | . | . | trans | 80.1 | 3.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D37 S38 K42 | D37-G40 PolarHBondContact O-N 3.25Å; D37-G40 PolarHBondContact OD1-N 2.99Å; S38-G40 VanDerWaalsContact C-N 3.33Å; G40-K42 PolarHBondContact O-N 3.49Å | ||
| 41 | T | 75 | Confident | 86.3 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | trans | -62.9 | 122.7 | 175.4 | -41.2 | 0 | 0 | 0 | 0 | 108.5 | K36 D37 N39 G43 | K36-T41 VanDerWaalsContact CA-O 3.29Å; K36-T41 WeakPolarHBondContact CA-O 3.35Å; D37-T41 VanDerWaalsContact CG-CB 3.43Å; D37-T41 PolarHBondContact N-O 2.82Å; D37-T41 WeakPolarHBondContact OD1-CB 3.18Å; D37-T41 PolarHBondContact OD1-N 2.65Å; D37-T41 PolarHBondContact OD1-OG1 2.97Å; D37-T41 WeakPolarHBondContact OD2-CB 3.46Å; D37-T41 PolarHBondContact OD2-OG1 3.18Å; N39-T41 VanDerWaalsContact C-N 3.27Å; N39-T41 PolarHBondContact O-N 3.22Å; T41-G43 PolarHBondContact O-N 3.37Å | ||
| 42 | K | 78.4 | Confident | 86.3 | Confident | 122 Ų | 122 | 57.6 Ų | 57.6 | 53% | 0.53 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130.6 | 175.1 | -66.3 | -177.2 | -177.8 | -178.8 | 0 | 109 | A35 K36 G40 | A35-K42 CarbonylContact O-C 3.57Å; A35-K42 WeakPolarHBondContact O-CA 3.41Å; K36-K42 HydrophobicContact CG-CG 4.21Å; G40-K42 PolarHBondContact O-N 3.49Å |
| 43 | G | 84 | Confident | 86.3 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 159.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A35 T41 | A35-G43 PolarHBondContact N-O 3.41Å; A35-G43 PolarHBondContact O-N 2.92Å; A35-G43 VanDerWaalsContact O-O 3.12Å; T41-G43 PolarHBondContact O-N 3.37Å |
| 44 | Y | 91.8 | Very high | 86.3 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 13% | 0.125 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.2 | 178.5 | -58 | -64.1 | 0 | 0 | 0 | 109.3 | Q34 I55 A59 D60 V63 | Q34-Y44 HydrophobicContact CG-CD1 4Å; Q34-Y44 HydrophobicContact CG-CE1 3.92Å; Y44-I55 PolarHBondContact O-N 3.34Å; Y44-A59 HydrophobicContact CD2-CB 3.83Å; Y44-D60 WeakPolarHBondContact CE2-OD1 3.47Å; Y44-V63 HydrophobicContact CD1-CB 4.42Å; Y44-V63 HydrophobicContact CD1-CG1 4.02Å; Y44-V63 HydrophobicContact CD1-CG2 3.76Å; Y44-V63 HydrophobicContact CD2-CG2 3.78Å; Y44-V63 HydrophobicContact CE1-CB 4.07Å; Y44-V63 HydrophobicContact CE1-CG1 3.44Å; Y44-V63 VanDerWaalsContact CE1-CG1 3.44Å; Y44-V63 HydrophobicContact CE1-CG2 3.92Å; Y44-V63 HydrophobicContact CE2-CB 4.13Å; Y44-V63 HydrophobicContact CE2-CG1 4.35Å; Y44-V63 HydrophobicContact CE2-CG2 3.88Å; Y44-V63 HydrophobicContact CG-CG2 3.69Å |
| 45 | V | 93.8 | Very high | 86.7 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 11% | 0.109 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.9 | -177.7 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | L32 S33 A35 V47 D52 Y53 L54 | L32-V45 CarbonylContact C-O 3.6Å; L32-V45 WeakPolarHBondContact CA-O 3.34Å; S33-V45 PolarHBondContact N-O 3.29Å; S33-V45 PolarHBondContact O-N 2.89Å; S33-V45 WeakPolarHBondContact OG-CB 3.34Å; A35-V45 HydrophobicContact CB-CG2 4.13Å; V45-V47 PolarHBondContact O-N 2.91Å; V45-D52 HydrophobicContact CG1-CB 3.8Å; V45-Y53 CarbonylContact C-O 3.53Å; V45-Y53 VanDerWaalsContact CA-O 3.31Å; V45-Y53 WeakPolarHBondContact CA-O 3.43Å; V45-L54 HydrophobicContact CG2-CB 4.3Å; V45-L54 HydrophobicContact CG2-CD1 3.83Å |
| 46 | F | 95.5 | Very high | 87.4 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 123.8 | 162.5 | -74.9 | -33.4 | 0 | 0 | 0 | 108.6 | I29 G31 L32 G48 Y53 I55 F84 I97 L131 F150 F154 | I29-F46 HydrophobicContact CD1-CB 4.15Å; I29-F46 HydrophobicContact CG1-CB 4.45Å; I29-F46 HydrophobicContact CG2-CB 3.69Å; I29-F46 HydrophobicContact CG2-CD1 4.05Å; I29-F46 HydrophobicContact CG2-CG 3.91Å; G31-F46 WeakPolarHBondContact O-CA 3.38Å; L32-F46 HydrophobicContact CD1-CD1 3.64Å; L32-F46 HydrophobicContact CD1-CE1 3.8Å; F46-G48 PolarHBondContact O-N 2.88Å; F46-Y53 HydrophobicContact CB-CD2 4.41Å; F46-Y53 PolarHBondContact N-O 3.29Å; F46-Y53 PolarHBondContact O-N 3.11Å; F46-I55 HydrophobicContact CD2-CD1 3.74Å; F46-I55 HydrophobicContact CD2-CG1 4.19Å; F46-I55 HydrophobicContact CE2-CD1 3.95Å; F46-I55 HydrophobicContact CE2-CG1 4.27Å; F46-I55 HydrophobicContact CG-CD1 4.46Å; F46-F84 HydrophobicContact CD2-CZ 4.25Å; F46-F84 HydrophobicContact CE2-CZ 4.23Å; F46-I97 HydrophobicContact CE2-CD1 3.68Å; F46-I97 HydrophobicContact CZ-CD1 3.92Å; F46-L131 HydrophobicContact CE2-CD2 3.83Å; F46-F150 HydrophobicContact CD1-CE2 4.11Å; F46-F150 HydrophobicContact CD1-CZ 4.12Å; F46-F150 HydrophobicContact CE1-CE2 4.17Å; F46-F150 AromaticContact CE1-CZ 3.93Å; F46-F150 HydrophobicContact CE1-CZ 3.93Å; F46-F154 HydrophobicContact CE2-CZ 4.43Å; F46-F154 HydrophobicContact CZ-CZ 4.44Å |
| 47 | V | 95.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 102.8 | -179.8 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | T30 G31 V45 M142 V147 | T30-V47 PolarHBondContact N-O 3.28Å; T30-V47 PolarHBondContact OG1-O 3.47Å; G31-V47 PolarHBondContact O-N 3.02Å; V45-V47 PolarHBondContact O-N 2.91Å; V47-M142 HydrophobicContact CG1-CE 4.02Å; V47-M142 HydrophobicContact CG1-SD 3.9Å; V47-M142 HydrophobicContact CG2-CE 4.18Å; V47-M142 HydrophobicContact CG2-SD 3.78Å; V47-V147 HydrophobicContact CG2-CG1 4.02Å; V47-V147 HydrophobicContact CG2-CG2 4.3Å |
| 48 | G | 96.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 164.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T28 F46 S50 L51 K138 | T28-G48 CarbonylContact O-C 3.6Å; T28-G48 WeakPolarHBondContact O-CA 3.4Å; F46-G48 PolarHBondContact O-N 2.88Å; G48-S50 VanDerWaalsContact C-N 3.33Å; G48-L51 CarbonylContact C-O 3.6Å; G48-L51 WeakPolarHBondContact CA-O 3.47Å; G48-L51 PolarHBondContact N-O 2.81Å; G48-K138 PolarHBondContact O-NZ 2.98Å |
| 49 | E | 96.1 | Very high | 89.9 | Confident | 110 Ų | 110 | 46.5 Ų | 46.5 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -63.3 | -43.5 | 169.7 | -75.5 | 178.3 | 157.4 | 0 | 0 | 110.3 | T28 T30 K138 | T28-E49 VanDerWaalsContact CB-CD 3.44Å; T28-E49 WeakPolarHBondContact CB-OE2 3.2Å; T28-E49 PolarHBondContact O-N 2.91Å; T28-E49 PolarHBondContact OG1-OE2 2.96Å; T30-E49 HydrophobicContact CG2-CG 3.81Å; E49-K138 WeakPolarHBondContact O-CE 3.49Å; E49-K138 PolarHBondContact O-NZ 2.9Å |
| 50 | S | 95.3 | Very high | 90.5 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -100.7 | -37 | -173.9 | -49.5 | 0 | 0 | 0 | 0 | 113.7 | D27 G48 | D27-S50 WeakPolarHBondContact OD1-CB 3.45Å; D27-S50 PolarHBondContact OD1-N 3.41Å; D27-S50 PolarHBondContact OD1-OG 2.88Å; D27-S50 VanDerWaalsContact OD1-OG 3.06Å; D27-S50 PolarHBondContact OD2-N 2.93Å; D27-S50 VanDerWaalsContact OD2-N 3.15Å; G48-S50 VanDerWaalsContact C-N 3.33Å |
| 51 | L | 94.6 | Very high | 91.3 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 164.6 | -172.6 | -64.5 | 168.7 | 0 | 0 | 0 | 111.4 | D27 G48 Y53 I135 H136 | D27-L51 PolarHBondContact OD2-N 2.84Å; G48-L51 CarbonylContact C-O 3.6Å; G48-L51 WeakPolarHBondContact CA-O 3.47Å; G48-L51 PolarHBondContact N-O 2.81Å; L51-Y53 HydrophobicContact CB-CE1 4.16Å; L51-Y53 HydrophobicContact CB-CE2 4.15Å; L51-Y53 WeakPolarHBondContact O-CE2 3.2Å; L51-I135 HydrophobicContact CB-CG2 4.35Å; L51-I135 HydrophobicContact CD1-CG2 3.78Å; L51-H136 WeakPolarHBondContact CD2-O 3.41Å |
| 52 | D | 94.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.5 | 173.5 | -72.6 | -29.3 | 0 | 0 | 0 | 110.5 | V45 H136 N139 M142 | V45-D52 HydrophobicContact CG1-CB 3.8Å; D52-H136 PolarHBondContact N-O 3.05Å; D52-H136 PolarHBondContact O-N 3.32Å; D52-N139 WeakPolarHBondContact OD2-CB 3.4Å; D52-N139 PolarHBondContact OD2-N 2.87Å; D52-M142 WeakPolarHBondContact OD1-CE 3.3Å; D52-M142 WeakPolarHBondContact OD2-CE 3.26Å |
| 53 | Y | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 98.2 | -172.5 | -52.5 | -82.9 | 0 | 0 | 0 | 111 | D27 I29 V45 F46 L51 I55 F93 T134 I135 F158 | D27-Y53 HydrophobicContact CB-CE2 4.4Å; D27-Y53 WeakPolarHBondContact CB-OH 3.48Å; D27-Y53 PolarHBondContact OD2-OH 2.88Å; I29-Y53 HydrophobicContact CD1-CD2 3.45Å; I29-Y53 VanDerWaalsContact CD1-CD2 3.45Å; I29-Y53 HydrophobicContact CD1-CE2 3.42Å; I29-Y53 VanDerWaalsContact CD1-CE2 3.42Å; V45-Y53 CarbonylContact C-O 3.53Å; V45-Y53 VanDerWaalsContact CA-O 3.31Å; V45-Y53 WeakPolarHBondContact CA-O 3.43Å; F46-Y53 HydrophobicContact CB-CD2 4.41Å; F46-Y53 PolarHBondContact N-O 3.29Å; F46-Y53 PolarHBondContact O-N 3.11Å; L51-Y53 HydrophobicContact CB-CE1 4.16Å; L51-Y53 HydrophobicContact CB-CE2 4.15Å; L51-Y53 WeakPolarHBondContact O-CE2 3.2Å; Y53-I55 PolarHBondContact O-N 3.06Å; Y53-F93 HydrophobicContact CD1-CE1 4.14Å; Y53-T134 CarbonylContact C-O 3.49Å; Y53-T134 WeakPolarHBondContact CA-O 3.22Å; Y53-I135 HydrophobicContact CD1-CB 4.42Å; Y53-I135 HydrophobicContact CD1-CG1 4Å; Y53-I135 HydrophobicContact CD1-CG2 4.2Å; Y53-I135 HydrophobicContact CE1-CB 4.48Å; Y53-I135 HydrophobicContact CE1-CD1 4.4Å; Y53-I135 HydrophobicContact CE1-CG1 4.12Å; Y53-I135 HydrophobicContact CE1-CG2 3.87Å; Y53-F158 HydrophobicContact CD1-CE1 4.36Å; Y53-F158 HydrophobicContact CD1-CZ 4.08Å; Y53-F158 AromaticContact CE1-CE1 3.76Å; Y53-F158 HydrophobicContact CE1-CE1 3.76Å; Y53-F158 HydrophobicContact CE1-CE2 4.2Å; Y53-F158 AromaticContact CE1-CZ 3.23Å; Y53-F158 HydrophobicContact CE1-CZ 3.23Å; Y53-F158 HydrophobicContact CE2-CZ 4.49Å; Y53-F158 AromaticContact CZ-CZ 3.47Å; Y53-F158 VanDerWaalsContact CZ-CZ 3.47Å; Y53-F158 WeakPolarHBondContact OH-CE2 3.31Å; Y53-F158 VanDerWaalsContact OH-CZ 3.32Å; Y53-F158 WeakPolarHBondContact OH-CZ 3.24Å |
| 54 | L | 93.4 | Very high | 93.1 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 115.1 | 175.7 | 174.1 | 67.6 | 0 | 0 | 0 | 109.5 | V45 T56 G133 T134 | V45-L54 HydrophobicContact CG2-CB 4.3Å; V45-L54 HydrophobicContact CG2-CD1 3.83Å; L54-T56 HydrophobicContact CD2-CG2 4.37Å; L54-T56 HydrophobicContact CG-CG2 4.28Å; L54-G133 CarbonylContact O-C 3.56Å; L54-G133 WeakPolarHBondContact O-CA 3.21Å; L54-T134 PolarHBondContact N-O 3.25Å; L54-T134 PolarHBondContact O-N 2.7Å |
| 55 | I | 94.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.4 | 170.9 | -49.1 | -48.9 | 0 | 0 | 0 | 108.9 | Y44 F46 Y53 D57 A59 F93 L131 K132 | Y44-I55 PolarHBondContact O-N 3.34Å; F46-I55 HydrophobicContact CD2-CD1 3.74Å; F46-I55 HydrophobicContact CD2-CG1 4.19Å; F46-I55 HydrophobicContact CE2-CD1 3.95Å; F46-I55 HydrophobicContact CE2-CG1 4.27Å; F46-I55 HydrophobicContact CG-CD1 4.46Å; Y53-I55 PolarHBondContact O-N 3.06Å; I55-D57 WeakPolarHBondContact CG2-O 3.49Å; I55-A59 HydrophobicContact CB-CB 4.13Å; I55-A59 HydrophobicContact CG2-CB 3.55Å; I55-F93 HydrophobicContact CD1-CE2 4.2Å; I55-F93 HydrophobicContact CD1-CZ 3.73Å; I55-L131 HydrophobicContact CD1-CD2 3.83Å; I55-L131 HydrophobicContact CD1-CG 4.21Å; I55-L131 HydrophobicContact CG2-CD1 3.46Å; I55-L131 VanDerWaalsContact CG2-CD1 3.46Å; I55-L131 HydrophobicContact CG2-CG 3.94Å; I55-K132 CarbonylContact C-O 3.58Å; I55-K132 WeakPolarHBondContact CA-O 3.38Å; I55-K132 WeakPolarHBondContact CG2-O 3.33Å |
| 56 | T | 91.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 44 Ų | 44 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -15.9 | -177.6 | 57.7 | 0 | 0 | 0 | 0 | 113 | L54 K132 | L54-T56 HydrophobicContact CD2-CG2 4.37Å; L54-T56 HydrophobicContact CG-CG2 4.28Å; T56-K132 PolarHBondContact N-O 3.05Å; T56-K132 PolarHBondContact OG1-O 3.06Å |
| 57 | D | 91.9 | Very high | 93.2 | Very high | 77 Ų | 77 | 47 Ų | 47 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 146.7 | -178.8 | -166 | 9.7 | 0 | 0 | 0 | 110.3 | I55 K132 | I55-D57 WeakPolarHBondContact CG2-O 3.49Å; D57-K132 HydrophobicContact CB-CB 3.83Å; D57-K132 HydrophobicContact CB-CD 4.13Å; D57-K132 HydrophobicContact CB-CG 4.05Å; D57-K132 PolarHBondContact N-O 3.41Å; D57-K132 PolarHBondContact O-N 3.44Å; D57-K132 IonicContact OD2-NZ 2.8Å; D57-K132 PolarHBondContact OD2-NZ 3.29Å |
| 58 | G | 91.4 | Very high | 93.1 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 82.4 | 7.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 59 | A | 90.4 | Very high | 93 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | trans | -97.1 | -16.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y44 I55 D61 I62 V63 L131 | Y44-A59 HydrophobicContact CD2-CB 3.83Å; I55-A59 HydrophobicContact CB-CB 4.13Å; I55-A59 HydrophobicContact CG2-CB 3.55Å; A59-D61 PolarHBondContact O-N 3.32Å; A59-I62 HydrophobicContact CB-CG2 4.28Å; A59-I62 WeakPolarHBondContact O-CG2 3.48Å; A59-I62 PolarHBondContact O-N 2.57Å; A59-V63 HydrophobicContact CB-CG2 4.29Å; A59-V63 VanDerWaalsContact O-CG2 3.29Å; A59-V63 WeakPolarHBondContact O-CG2 3.18Å; A59-V63 PolarHBondContact O-N 3.06Å; A59-L131 HydrophobicContact CB-CD1 4.42Å | ||
| 60 | D | 89.6 | Confident | 93 | Very high | 116 Ų | 116 | 52.7 Ų | 52.7 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60 | -46.7 | -166.7 | -68.6 | -27.3 | 0 | 0 | 0 | 113.4 | Y44 V63 K64 | Y44-D60 WeakPolarHBondContact CE2-OD1 3.47Å; D60-V63 PolarHBondContact O-N 2.8Å; D60-K64 WeakPolarHBondContact O-CB 3.37Å; D60-K64 PolarHBondContact O-N 3.08Å |
| 61 | D | 89.9 | Confident | 92.9 | Very high | 108 Ų | 108 | 49.5 Ų | 49.5 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 179.5 | -73.3 | -10.6 | 0 | 0 | 0 | 112.3 | A59 V63 K64 M65 R126 | A59-D61 PolarHBondContact O-N 3.32Å; D61-V63 VanDerWaalsContact C-N 3.32Å; D61-V63 PolarHBondContact O-N 3.4Å; D61-K64 PolarHBondContact O-N 3.16Å; D61-M65 WeakPolarHBondContact O-CB 3.33Å; D61-M65 PolarHBondContact O-N 3.39Å; D61-R126 IonicContact OD2-NH2 2.75Å |
| 62 | I | 90.9 | Very high | 93 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.9 | -34.9 | -179.8 | -175.2 | 66.3 | 0 | 0 | 0 | 110.8 | A59 M65 L66 L99 L128 | A59-I62 HydrophobicContact CB-CG2 4.28Å; A59-I62 WeakPolarHBondContact O-CG2 3.48Å; A59-I62 PolarHBondContact O-N 2.57Å; I62-M65 HydrophobicContact CD1-CE 3.23Å; I62-M65 HydrophobicContact CD1-SD 3.76Å; I62-M65 WeakPolarHBondContact O-CB 3.38Å; I62-M65 PolarHBondContact O-N 3.45Å; I62-L66 HydrophobicContact CD1-CG 4.42Å; I62-L66 HydrophobicContact CG1-CD1 4.01Å; I62-L66 HydrophobicContact CG1-CG 4.3Å; I62-L66 WeakPolarHBondContact O-CB 3.44Å; I62-L66 WeakPolarHBondContact O-CG 3.21Å; I62-L66 PolarHBondContact O-N 2.89Å; I62-L99 HydrophobicContact CD1-CD1 3.5Å; I62-L99 VanDerWaalsContact CD1-CD1 3.5Å; I62-L99 HydrophobicContact CG1-CD1 4.49Å; I62-L128 HydrophobicContact CB-CD1 4Å; I62-L128 HydrophobicContact CB-CD2 4.32Å; I62-L128 HydrophobicContact CD1-CD1 4.14Å; I62-L128 HydrophobicContact CG1-CD1 3.82Å; I62-L128 HydrophobicContact CG2-CD1 4.13Å |
| 63 | V | 91.7 | Very high | 93 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.3 | -39.8 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | L32 Y44 A59 D60 D61 M65 L66 N67 | L32-V63 HydrophobicContact CD2-CG2 3.85Å; Y44-V63 HydrophobicContact CD1-CB 4.42Å; Y44-V63 HydrophobicContact CD1-CG1 4.02Å; Y44-V63 HydrophobicContact CD1-CG2 3.76Å; Y44-V63 HydrophobicContact CD2-CG2 3.78Å; Y44-V63 HydrophobicContact CE1-CB 4.07Å; Y44-V63 HydrophobicContact CE1-CG1 3.44Å; Y44-V63 VanDerWaalsContact CE1-CG1 3.44Å; Y44-V63 HydrophobicContact CE1-CG2 3.92Å; Y44-V63 HydrophobicContact CE2-CB 4.13Å; Y44-V63 HydrophobicContact CE2-CG1 4.35Å; Y44-V63 HydrophobicContact CE2-CG2 3.88Å; Y44-V63 HydrophobicContact CG-CG2 3.69Å; A59-V63 HydrophobicContact CB-CG2 4.29Å; A59-V63 VanDerWaalsContact O-CG2 3.29Å; A59-V63 WeakPolarHBondContact O-CG2 3.18Å; A59-V63 PolarHBondContact O-N 3.06Å; D60-V63 PolarHBondContact O-N 2.8Å; D61-V63 VanDerWaalsContact C-N 3.32Å; D61-V63 PolarHBondContact O-N 3.4Å; V63-M65 VanDerWaalsContact C-N 3.28Å; V63-M65 PolarHBondContact O-N 2.86Å; V63-L66 PolarHBondContact O-N 2.87Å; V63-N67 WeakPolarHBondContact CG1-ND2 3.4Å; V63-N67 PolarHBondContact O-N 3.31Å; V63-N67 PolarHBondContact O-ND2 3.15Å |
| 64 | K | 92.8 | Very high | 93.1 | Very high | 139 Ų | 139 | 57.3 Ų | 57.3 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.8 | -47.5 | 173.2 | -175.4 | -178.8 | 177 | -172.9 | 0 | 110.4 | D60 D61 N67 D68 | D60-K64 WeakPolarHBondContact O-CB 3.37Å; D60-K64 PolarHBondContact O-N 3.08Å; D61-K64 PolarHBondContact O-N 3.16Å; K64-N67 PolarHBondContact O-N 2.93Å; K64-D68 PolarHBondContact O-N 3.07Å |
| 65 | M | 94.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 175.5 | 177.9 | -168.1 | 108.3 | 0 | 0 | 112.7 | D61 I62 V63 N67 D68 L71 I76 Y115 F117 | D61-M65 WeakPolarHBondContact O-CB 3.33Å; D61-M65 PolarHBondContact O-N 3.39Å; I62-M65 HydrophobicContact CD1-CE 3.23Å; I62-M65 HydrophobicContact CD1-SD 3.76Å; I62-M65 WeakPolarHBondContact O-CB 3.38Å; I62-M65 PolarHBondContact O-N 3.45Å; V63-M65 VanDerWaalsContact C-N 3.28Å; V63-M65 PolarHBondContact O-N 2.86Å; M65-N67 PolarHBondContact O-N 3.07Å; M65-D68 WeakPolarHBondContact O-CB 3.46Å; M65-D68 PolarHBondContact O-N 2.83Å; M65-D68 VanDerWaalsContact O-N 3.11Å; M65-L71 HydrophobicContact CE-CD2 3.91Å; M65-L71 HydrophobicContact CG-CD2 3.29Å; M65-L71 WeakPolarHBondContact O-CD2 3.19Å; M65-L71 HydrophobicContact SD-CD2 4.16Å; M65-I76 HydrophobicContact CE-CD1 3.69Å; M65-I76 HydrophobicContact CE-CG1 4.43Å; M65-Y115 HydrophobicContact CB-CD1 3.61Å; M65-Y115 HydrophobicContact CB-CD2 4.35Å; M65-Y115 HydrophobicContact CB-CE1 3.85Å; M65-Y115 HydrophobicContact CB-CG 3.9Å; M65-Y115 HydrophobicContact CG-CD1 3.93Å; M65-Y115 HydrophobicContact CG-CD2 3.84Å; M65-Y115 HydrophobicContact CG-CE1 4.38Å; M65-Y115 HydrophobicContact CG-CE2 4.29Å; M65-Y115 HydrophobicContact CG-CG 3.64Å; M65-Y115 HydrophobicContact SD-CG 4.3Å; M65-F117 HydrophobicContact CE-CE2 4.06Å; M65-F117 HydrophobicContact CE-CZ 4.01Å; M65-F117 HydrophobicContact SD-CD2 4.48Å; M65-F117 HydrophobicContact SD-CE2 3.43Å; M65-F117 WeakPolarHBondContact SD-CE2 3.48Å; M65-F117 HydrophobicContact SD-CZ 4.01Å |
| 66 | L | 94.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.6 | -16.4 | -179.3 | -72.1 | 171.9 | 0 | 0 | 0 | 114.2 | L32 I62 V63 R73 I76 M148 F150 | L32-L66 HydrophobicContact CD2-CD1 4.17Å; I62-L66 HydrophobicContact CD1-CG 4.42Å; I62-L66 HydrophobicContact CG1-CD1 4.01Å; I62-L66 HydrophobicContact CG1-CG 4.3Å; I62-L66 WeakPolarHBondContact O-CB 3.44Å; I62-L66 WeakPolarHBondContact O-CG 3.21Å; I62-L66 PolarHBondContact O-N 2.89Å; V63-L66 PolarHBondContact O-N 2.87Å; L66-R73 HydrophobicContact CD2-CG 4.48Å; L66-R73 WeakPolarHBondContact O-CD 3.49Å; L66-R73 PolarHBondContact O-NH1 2.99Å; L66-I76 HydrophobicContact CD2-CD1 3.67Å; L66-M148 HydrophobicContact CB-CE 4.37Å; L66-M148 HydrophobicContact CB-SD 3.92Å; L66-F150 HydrophobicContact CD1-CE1 4.21Å |
| 67 | N | 92.9 | Very high | 93.6 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -3 | 174 | -72.5 | -64.1 | 0 | 0 | 0 | 113.1 | V63 K64 M65 P69 M148 | V63-N67 WeakPolarHBondContact CG1-ND2 3.4Å; V63-N67 PolarHBondContact O-N 3.31Å; V63-N67 PolarHBondContact O-ND2 3.15Å; K64-N67 PolarHBondContact O-N 2.93Å; M65-N67 PolarHBondContact O-N 3.07Å; N67-P69 WeakPolarHBondContact O-CD 3.39Å; N67-M148 VanDerWaalsContact OD1-CE 3.29Å; N67-M148 WeakPolarHBondContact OD1-CE 3.47Å |
| 68 | D | 95 | Very high | 93.9 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | trans | -74 | 116.3 | 175.4 | -168.8 | -24.7 | 0 | 0 | 0 | 110.1 | K64 M65 A70 L71 Y115 | K64-D68 PolarHBondContact O-N 3.07Å; M65-D68 WeakPolarHBondContact O-CB 3.46Å; M65-D68 PolarHBondContact O-N 2.83Å; M65-D68 VanDerWaalsContact O-N 3.11Å; D68-A70 PolarHBondContact O-N 2.96Å; D68-A70 WeakPolarHBondContact OD1-CB 3.39Å; D68-A70 PolarHBondContact OD1-N 3.4Å; D68-L71 HydrophobicContact CB-CB 4.26Å; D68-L71 PolarHBondContact O-N 2.84Å; D68-Y115 HydrophobicContact CB-CE2 4.16Å; D68-Y115 WeakPolarHBondContact CB-OH 3.48Å; D68-Y115 WeakPolarHBondContact OD2-CE2 3.35Å; D68-Y115 PolarHBondContact OD2-OH 3.27Å | ||
| 69 | P | 94.4 | Very high | 94 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 84% | 0.844 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.6 | -179.7 | 29.1 | -36 | 0 | 0 | 0 | 113.5 | N67 L71 | N67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-L71 VanDerWaalsContact C-N 3.27Å |
| 70 | A | 95.1 | Very high | 94 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -19.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D68 L111 | D68-A70 PolarHBondContact O-N 2.96Å; D68-A70 WeakPolarHBondContact OD1-CB 3.39Å; D68-A70 PolarHBondContact OD1-N 3.4Å; A70-L111 VanDerWaalsContact C-CD2 3.48Å; A70-L111 HydrophobicContact CB-CD2 3.73Å; A70-L111 WeakPolarHBondContact O-CD2 3.43Å |
| 71 | L | 94.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -87.9 | 117.3 | 178.4 | -170 | 78.2 | 0 | 0 | 0 | 110.7 | M65 D68 P69 R73 I76 Y101 L111 | M65-L71 HydrophobicContact CE-CD2 3.91Å; M65-L71 HydrophobicContact CG-CD2 3.29Å; M65-L71 WeakPolarHBondContact O-CD2 3.19Å; M65-L71 HydrophobicContact SD-CD2 4.16Å; D68-L71 HydrophobicContact CB-CB 4.26Å; D68-L71 PolarHBondContact O-N 2.84Å; P69-L71 VanDerWaalsContact C-N 3.27Å; L71-R73 PolarHBondContact O-N 3.06Å; L71-I76 HydrophobicContact CD2-CD1 3.74Å; L71-I76 HydrophobicContact CG-CD1 4.39Å; L71-Y101 HydrophobicContact CD1-CD2 4.23Å; L71-Y101 HydrophobicContact CD1-CE1 4.3Å; L71-Y101 HydrophobicContact CD1-CE2 3.56Å; L71-Y101 HydrophobicContact CG-CE2 3.98Å; L71-L111 HydrophobicContact CB-CD2 4.03Å; L71-L111 HydrophobicContact CD1-CD2 4.07Å; L71-L111 HydrophobicContact CD1-CG 4.29Å |
| 72 | N | 95.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 31% | 0.305 | 27% | 0.268 | S | S | . | . | trans | -76.5 | 100.3 | 178.2 | -173.4 | -4 | 0 | 0 | 0 | 111.3 | H74 N75 Y101 | N72-H74 PolarHBondContact O-N 2.83Å; N72-H74 VanDerWaalsContact O-N 3.12Å; N72-H74 WeakPolarHBondContact OD1-CB 3.35Å; N72-H74 PolarHBondContact OD1-N 3.05Å; N72-H74 VanDerWaalsContact OD1-N 3.1Å; N72-H74 PolarHBondContact OD1-ND1 2.83Å; N72-N75 WeakPolarHBondContact O-CB 3.49Å; N72-N75 PolarHBondContact O-N 2.83Å; N72-Y101 PolarHBondContact N-OH 2.82Å | ||
| 73 | R | 95.2 | Very high | 94.8 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -63.3 | -18.2 | -178.9 | -56.6 | -168.4 | -53.3 | -138.5 | 0.8 | 115 | L66 L71 N75 I76 M148 Y151 | L66-R73 HydrophobicContact CD2-CG 4.48Å; L66-R73 WeakPolarHBondContact O-CD 3.49Å; L66-R73 PolarHBondContact O-NH1 2.99Å; L71-R73 PolarHBondContact O-N 3.06Å; R73-N75 PolarHBondContact O-N 2.03Å; R73-I76 HydrophobicContact CB-CD1 4.28Å; R73-I76 HydrophobicContact CG-CD1 4.23Å; R73-I76 PolarHBondContact O-N 3.23Å; R73-M148 PolarHBondContact NH1-SD 2.77Å; R73-Y151 HydrophobicContact CB-CD2 3.92Å; R73-Y151 HydrophobicContact CB-CE2 3.96Å |
| 74 | H | 96.6 | Very high | 95 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -63.5 | -22.8 | 173.1 | -63.6 | 87.5 | 0 | 0 | 0 | 112.1 | N72 Y151 H152 | N72-H74 PolarHBondContact O-N 2.83Å; N72-H74 VanDerWaalsContact O-N 3.12Å; N72-H74 WeakPolarHBondContact OD1-CB 3.35Å; N72-H74 PolarHBondContact OD1-N 3.05Å; N72-H74 VanDerWaalsContact OD1-N 3.1Å; N72-H74 PolarHBondContact OD1-ND1 2.83Å; H74-Y151 HydrophobicContact CB-CD2 4.39Å; H74-Y151 HydrophobicContact CB-CG 4.49Å; H74-Y151 AromaticContact CD2-CD1 3.32Å; H74-Y151 WeakPolarHBondContact CD2-CD1 3.41Å; H74-Y151 AromaticContact CD2-CD2 3.89Å; H74-Y151 AromaticContact CD2-CE1 3.49Å; H74-Y151 VanDerWaalsContact CD2-CE1 3.49Å; H74-Y151 WeakPolarHBondContact CD2-CE1 3.41Å; H74-Y151 AromaticContact CD2-CE2 4Å; H74-Y151 AromaticContact CD2-CG 3.54Å; H74-Y151 AromaticContact CD2-CZ 3.8Å; H74-Y151 AromaticContact CE1-CE1 3.5Å; H74-Y151 VanDerWaalsContact CE1-CE1 3.5Å; H74-Y151 WeakPolarHBondContact CE1-CE1 3.4Å; H74-Y151 AromaticContact CE1-CE2 3.55Å; H74-Y151 AromaticContact CE1-CZ 3.14Å; H74-Y151 PolarHBondContact CE1-OH 3.44Å; H74-Y151 VanDerWaalsContact CE1-OH 3.24Å; H74-Y151 AromaticContact CG-CD2 3.8Å; H74-Y151 AromaticContact CG-CE2 3.89Å; H74-Y151 AromaticContact CG-CG 3.88Å; H74-Y151 AromaticContact ND1-CD2 3.99Å; H74-Y151 AromaticContact ND1-CE2 3.61Å; H74-Y151 AromaticContact ND1-CZ 3.72Å; H74-Y151 AromaticContact NE2-CD1 3.38Å; H74-Y151 WeakPolarHBondContact NE2-CD1 3.21Å; H74-Y151 AromaticContact NE2-CE1 2.98Å; H74-Y151 WeakPolarHBondContact NE2-CE1 3.06Å; H74-Y151 AromaticContact NE2-CE2 3.81Å; H74-Y151 AromaticContact NE2-CG 3.96Å; H74-Y151 AromaticContact NE2-CZ 3.2Å; H74-H152 PolarHBondContact O-CD2 2.77Å; H74-H152 PolarHBondContact O-NE2 3.3Å |
| 75 | N | 96.8 | Very high | 95.1 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -92.2 | -2.7 | -177.9 | -62.2 | -9.7 | 0 | 0 | 0 | 112.3 | N72 R73 Y101 Y102 N104 | N72-N75 WeakPolarHBondContact O-CB 3.49Å; N72-N75 PolarHBondContact O-N 2.83Å; R73-N75 PolarHBondContact O-N 2.03Å; N75-Y101 HydrophobicContact CB-CD2 4.08Å; N75-Y101 HydrophobicContact CB-CE2 3.78Å; N75-Y101 VanDerWaalsContact O-CA 3.31Å; N75-Y101 WeakPolarHBondContact O-CA 3.45Å; N75-Y102 WeakPolarHBondContact CB-O 3.3Å; N75-Y102 PolarHBondContact ND2-O 3.47Å; N75-Y102 PolarHBondContact O-N 3.33Å; N75-N104 PolarHBondContact ND2-ND2 2.89Å |
| 76 | I | 96.8 | Very high | 95 | Very high | 20 Ų | 20 | 50 Ų | 50 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.8 | 175.7 | -57.9 | 165.9 | 0 | 0 | 0 | 108.8 | M65 L66 L71 R73 L99 Y100 Y101 H152 | M65-I76 HydrophobicContact CE-CD1 3.69Å; M65-I76 HydrophobicContact CE-CG1 4.43Å; L66-I76 HydrophobicContact CD2-CD1 3.67Å; L71-I76 HydrophobicContact CD2-CD1 3.74Å; L71-I76 HydrophobicContact CG-CD1 4.39Å; R73-I76 HydrophobicContact CB-CD1 4.28Å; R73-I76 HydrophobicContact CG-CD1 4.23Å; R73-I76 PolarHBondContact O-N 3.23Å; I76-L99 HydrophobicContact CG2-CD2 4.4Å; I76-Y100 WeakPolarHBondContact CA-O 3.05Å; I76-Y101 HydrophobicContact CG1-CD2 3.62Å; I76-Y101 HydrophobicContact CG1-CE2 4.06Å; I76-H152 PolarHBondContact O-CD2 3.16Å; I76-H152 VanDerWaalsContact O-CD2 3.28Å |
| 77 | Q | 96.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 152.5 | 173 | -66.4 | -179.4 | 39.7 | 0 | 0 | 109.8 | L99 Y100 Y102 H152 | Q77-L99 CarbonylContact O-C 3.4Å; Q77-L99 WeakPolarHBondContact O-CA 3.21Å; Q77-Y100 PolarHBondContact N-O 2.82Å; Q77-Y100 PolarHBondContact O-N 3.49Å; Q77-Y102 HydrophobicContact CB-CE2 4.34Å; Q77-Y102 HydrophobicContact CG-CE2 4.25Å; Q77-H152 HydrophobicContact CG-CB 4.06Å; Q77-H152 VanDerWaalsContact CG-CD2 3.43Å; Q77-H152 WeakPolarHBondContact CG-CD2 3.27Å |
| 78 | V | 96.9 | Very high | 93.8 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.1 | 165.9 | 168 | 0 | 0 | 0 | 0 | 107.4 | D80 I97 S98 L99 F154 | V78-D80 WeakPolarHBondContact CG1-O 3.43Å; V78-I97 HydrophobicContact CG1-CG2 4.1Å; V78-I97 HydrophobicContact CG2-CG2 3.74Å; V78-S98 CarbonylContact C-O 3.53Å; V78-S98 WeakPolarHBondContact CA-O 3.49Å; V78-L99 HydrophobicContact CG2-CD2 3.77Å; V78-F154 HydrophobicContact CB-CB 3.63Å; V78-F154 HydrophobicContact CB-CD1 4.36Å; V78-F154 HydrophobicContact CB-CD2 4.43Å; V78-F154 HydrophobicContact CB-CG 3.93Å; V78-F154 HydrophobicContact CG1-CB 4Å; V78-F154 HydrophobicContact CG1-CD2 4.26Å; V78-F154 HydrophobicContact CG1-CG 4.22Å; V78-F154 HydrophobicContact CG2-CB 3.76Å; V78-F154 HydrophobicContact CG2-CD1 3.51Å; V78-F154 HydrophobicContact CG2-CD2 3.98Å; V78-F154 HydrophobicContact CG2-CE1 4Å; V78-F154 HydrophobicContact CG2-CE2 4.44Å; V78-F154 HydrophobicContact CG2-CG 3.49Å; V78-F154 VanDerWaalsContact CG2-CG 3.49Å; V78-F154 HydrophobicContact CG2-CZ 4.45Å |
| 79 | A | 93 | Very high | 92.8 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -64.4 | -41.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S98 Y100 | A79-S98 PolarHBondContact N-O 3.24Å; A79-Y100 HydrophobicContact CB-CD1 4Å; A79-Y100 HydrophobicContact CB-CD2 3.58Å; A79-Y100 HydrophobicContact CB-CE1 3.76Å; A79-Y100 HydrophobicContact CB-CE2 3.31Å; A79-Y100 HydrophobicContact CB-CG 3.92Å; A79-Y100 VanDerWaalsContact CB-CZ 3.41Å |
| 80 | D | 91 | Very high | 92.2 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -145.1 | 165.7 | 179.6 | -67.2 | -61.9 | 0 | 0 | 0 | 109.1 | V78 A82 | V78-D80 WeakPolarHBondContact CG1-O 3.43Å; D80-A82 PolarHBondContact O-N 2.81Å |
| 81 | D | 93.9 | Very high | 91.8 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | trans | -49.3 | 126.9 | 177 | -66.2 | -13.8 | 0 | 0 | 0 | 112.2 | R83 K155 R157 | D81-R83 WeakPolarHBondContact O-CG 3.49Å; D81-K155 CarbonylContact C-O 3.51Å; D81-K155 WeakPolarHBondContact CA-O 3.36Å; D81-K155 HydrophobicContact CB-CB 4.49Å; D81-K155 WeakPolarHBondContact OD1-CB 3.26Å; D81-R157 HydrophobicContact CB-CG 4.16Å; D81-R157 IonicContact OD2-CZ 3.02Å; D81-R157 IonicContact OD2-NE 3.14Å; D81-R157 PolarHBondContact OD2-NE 2.99Å; D81-R157 IonicContact OD2-NH2 2.93Å; D81-R157 PolarHBondContact OD2-NH2 2.92Å | ||
| 82 | A | 97 | Very high | 91.8 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 140.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D80 F84 I97 F154 K155 V156 R157 | D80-A82 PolarHBondContact O-N 2.81Å; A82-F84 HydrophobicContact CB-CE1 4.28Å; A82-I97 HydrophobicContact CB-CD1 4.44Å; A82-I97 HydrophobicContact CB-CG1 3.9Å; A82-F154 HydrophobicContact CB-CD2 3.93Å; A82-F154 HydrophobicContact CB-CE2 3.76Å; A82-K155 PolarHBondContact N-O 3.24Å; A82-V156 HydrophobicContact CB-CB 4.14Å; A82-V156 HydrophobicContact CB-CG2 4.24Å; A82-V156 CarbonylContact O-C 3.54Å; A82-V156 WeakPolarHBondContact O-CA 3.17Å; A82-R157 PolarHBondContact O-N 3.22Å |
| 83 | R | 96.3 | Very high | 91.8 | Very high | 138 Ų | 138 | 62.3 Ų | 62.3 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 107 | -173.1 | -62.3 | -176.5 | 65.4 | 175.3 | 1.9 | 110.7 | D81 G95 T96 Y159 | D81-R83 WeakPolarHBondContact O-CG 3.49Å; R83-G95 CarbonylContact O-C 3.58Å; R83-G95 VanDerWaalsContact O-CA 3.3Å; R83-G95 WeakPolarHBondContact O-CA 3.43Å; R83-T96 PolarHBondContact N-O 2.75Å; R83-T96 PolarHBondContact O-N 3.47Å; R83-Y159 HydrophobicContact CB-CE2 4.21Å; R83-Y159 HydrophobicContact CG-CE2 4.15Å |
| 84 | F | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124 | 179.4 | -72.3 | 10 | 0 | 0 | 0 | 110.1 | F46 A82 F93 T94 I97 L131 V156 R157 F158 Y159 | F46-F84 HydrophobicContact CD2-CZ 4.25Å; F46-F84 HydrophobicContact CE2-CZ 4.23Å; A82-F84 HydrophobicContact CB-CE1 4.28Å; F84-F93 HydrophobicContact CB-CB 4.27Å; F84-F93 HydrophobicContact CB-CD2 4.14Å; F84-F93 HydrophobicContact CB-CG 4.33Å; F84-F93 HydrophobicContact CD1-CD2 4.33Å; F84-F93 HydrophobicContact CD1-CE2 4.43Å; F84-F93 HydrophobicContact CD2-CD1 4.23Å; F84-F93 AromaticContact CD2-CD2 3.44Å; F84-F93 HydrophobicContact CD2-CD2 3.44Å; F84-F93 VanDerWaalsContact CD2-CD2 3.44Å; F84-F93 HydrophobicContact CD2-CE1 4.19Å; F84-F93 AromaticContact CD2-CE2 3.41Å; F84-F93 HydrophobicContact CD2-CE2 3.41Å; F84-F93 VanDerWaalsContact CD2-CE2 3.41Å; F84-F93 AromaticContact CD2-CG 3.87Å; F84-F93 HydrophobicContact CD2-CG 3.87Å; F84-F93 AromaticContact CD2-CZ 3.79Å; F84-F93 HydrophobicContact CD2-CZ 3.79Å; F84-F93 HydrophobicContact CE1-CE2 4.36Å; F84-F93 AromaticContact CE2-CD2 3.89Å; F84-F93 HydrophobicContact CE2-CD2 3.89Å; F84-F93 HydrophobicContact CE2-CE1 4.26Å; F84-F93 AromaticContact CE2-CE2 3.32Å; F84-F93 HydrophobicContact CE2-CE2 3.32Å; F84-F93 AromaticContact CE2-CZ 3.53Å; F84-F93 HydrophobicContact CE2-CZ 3.53Å; F84-F93 AromaticContact CG-CD2 3.72Å; F84-F93 HydrophobicContact CG-CD2 3.72Å; F84-F93 HydrophobicContact CG-CE2 4.01Å; F84-F93 HydrophobicContact CG-CG 4.28Å; F84-F93 AromaticContact CZ-CE2 3.84Å; F84-F93 HydrophobicContact CZ-CE2 3.84Å; F84-F93 HydrophobicContact CZ-CZ 4.32Å; F84-T94 CarbonylContact C-O 3.55Å; F84-I97 HydrophobicContact CE1-CD1 4.16Å; F84-I97 HydrophobicContact CE1-CG1 4.08Å; F84-I97 HydrophobicContact CZ-CD1 4.29Å; F84-L131 HydrophobicContact CE1-CD2 4.11Å; F84-L131 HydrophobicContact CZ-CD2 3.91Å; F84-V156 HydrophobicContact CB-CG2 3.94Å; F84-V156 HydrophobicContact CD1-CG2 3.85Å; F84-V156 HydrophobicContact CD2-CG2 3.54Å; F84-V156 HydrophobicContact CE1-CG2 4.2Å; F84-V156 HydrophobicContact CE2-CG2 3.9Å; F84-V156 HydrophobicContact CG-CG2 3.5Å; F84-V156 VanDerWaalsContact CG-CG2 3.5Å; F84-V156 HydrophobicContact CZ-CG2 4.21Å; F84-R157 PolarHBondContact N-O 3.43Å; F84-F158 HydrophobicContact CB-CD1 3.8Å; F84-F158 HydrophobicContact CB-CE1 3.86Å; F84-F158 AromaticContact CD2-CE1 3.75Å; F84-F158 HydrophobicContact CD2-CE1 3.75Å; F84-F158 HydrophobicContact CD2-CZ 4.16Å; F84-F158 HydrophobicContact CG-CE1 4.29Å; F84-F158 CarbonylContact O-C 3.57Å; F84-F158 VanDerWaalsContact O-CA 3.24Å; F84-F158 WeakPolarHBondContact O-CA 3.33Å; F84-Y159 PolarHBondContact O-N 3.01Å |
| 85 | V | 94.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.3 | 178.5 | -175 | 0 | 0 | 0 | 0 | 108.4 | K21 F93 T94 Y159 Y161 | K21-V85 HydrophobicContact CD-CG1 4.21Å; K21-V85 HydrophobicContact CD-CG2 4.22Å; V85-F93 CarbonylContact O-C 3.39Å; V85-F93 WeakPolarHBondContact O-CA 3.33Å; V85-T94 PolarHBondContact N-O 3.43Å; V85-T94 PolarHBondContact O-N 2.93Å; V85-Y159 CarbonylContact C-O 3.56Å; V85-Y159 WeakPolarHBondContact CA-O 3.46Å; V85-Y161 HydrophobicContact CG1-CD2 4.17Å; V85-Y161 HydrophobicContact CG1-CE2 3.45Å; V85-Y161 VanDerWaalsContact CG1-CE2 3.45Å |
| 86 | L | 92.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 136.3 | 179.1 | -58.8 | -173.1 | 0 | 0 | 0 | 111 | K90 K92 F93 I135 F158 Y159 E160 | L86-K90 HydrophobicContact CD1-CB 4.31Å; L86-K92 WeakPolarHBondContact CA-O 3.33Å; L86-F93 HydrophobicContact CD2-CB 4.04Å; L86-I135 HydrophobicContact CD2-CD1 3.51Å; L86-F158 HydrophobicContact CD1-CB 4.42Å; L86-F158 HydrophobicContact CD2-CD1 3.64Å; L86-F158 HydrophobicContact CD2-CE1 4.35Å; L86-F158 HydrophobicContact CG-CB 4.39Å; L86-F158 HydrophobicContact CG-CD1 4.3Å; L86-Y159 PolarHBondContact N-O 2.92Å; L86-E160 HydrophobicContact CB-CG 4.05Å; L86-E160 HydrophobicContact CD1-CG 3.79Å; L86-E160 HydrophobicContact CG-CG 4.26Å |
| 87 | N | 86.6 | Confident | 91.8 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 170 | 171.6 | -71.4 | -17 | 0 | 0 | 0 | 111.5 | G89 K90 K92 | N87-G89 PolarHBondContact O-N 3.39Å; N87-K90 PolarHBondContact O-N 2.84Å; N87-K92 HydrophobicContact CB-CB 4.15Å; N87-K92 PolarHBondContact N-O 2.9Å |
| 88 | A | 75 | Confident | 91.8 | Very high | 112 Ų | 112 | 56 Ų | 56 | 93% | 0.926 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 128.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 89 | G | 75.1 | Confident | 91.8 | Very high | 65 Ų | 65 | 55 Ų | 55 | 67% | 0.67 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | -2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N87 K91 | N87-G89 PolarHBondContact O-N 3.39Å; G89-K91 PolarHBondContact O-N 3.34Å |
| 90 | K | 81.1 | Confident | 92 | Very high | 112 Ų | 112 | 57 Ų | 57 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 59.1 | 12.9 | 168.9 | -51.8 | -172.3 | -178.4 | -152.8 | 0 | 116.9 | L86 N87 E160 | L86-K90 HydrophobicContact CD1-CB 4.31Å; N87-K90 PolarHBondContact O-N 2.84Å; K90-E160 WeakPolarHBondContact CD-OE1 3.12Å; K90-E160 VanDerWaalsContact CE-CD 3.4Å; K90-E160 VanDerWaalsContact CE-OE1 3.27Å; K90-E160 WeakPolarHBondContact CE-OE1 2.91Å; K90-E160 WeakPolarHBondContact CE-OE2 3.36Å; K90-E160 IonicContact NZ-OE1 3.76Å; K90-E160 PolarHBondContact NZ-OE1 2.99Å; K90-E160 IonicContact NZ-OE2 2.65Å; K90-E160 PolarHBondContact NZ-OE2 3.27Å |
| 91 | K | 87.5 | Confident | 92.4 | Very high | 158 Ų | 158 | 51.4 Ų | 51.4 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -100.9 | -18.2 | 178.9 | -69.4 | -172.5 | 178.6 | -172.2 | 0 | 114.3 | G89 T134 I135 | G89-K91 PolarHBondContact O-N 3.34Å; K91-T134 CarbonylContact O-C 3.56Å; K91-T134 WeakPolarHBondContact O-CA 3.43Å; K91-I135 PolarHBondContact O-N 3.39Å |
| 92 | K | 94 | Very high | 92.5 | Very high | 128 Ų | 128 | 52.7 Ų | 52.7 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 149.3 | -178.8 | -70 | 177.4 | -179.5 | -174.5 | 0 | 109.4 | L86 N87 G133 T134 | L86-K92 WeakPolarHBondContact CA-O 3.33Å; N87-K92 HydrophobicContact CB-CB 4.15Å; N87-K92 PolarHBondContact N-O 2.9Å; K92-G133 CarbonylContact C-O 3.53Å; K92-G133 VanDerWaalsContact CA-O 3.29Å; K92-G133 WeakPolarHBondContact CA-O 2.98Å; K92-T134 HydrophobicContact CG-CG2 3.79Å |
| 93 | F | 94.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 157 | 176.2 | 65.9 | -96.2 | 0 | 0 | 0 | 112.4 | Y53 I55 F84 V85 L86 L131 K132 G133 I135 | Y53-F93 HydrophobicContact CD1-CE1 4.14Å; I55-F93 HydrophobicContact CD1-CE2 4.2Å; I55-F93 HydrophobicContact CD1-CZ 3.73Å; F84-F93 HydrophobicContact CB-CB 4.27Å; F84-F93 HydrophobicContact CB-CD2 4.14Å; F84-F93 HydrophobicContact CB-CG 4.33Å; F84-F93 HydrophobicContact CD1-CD2 4.33Å; F84-F93 HydrophobicContact CD1-CE2 4.43Å; F84-F93 HydrophobicContact CD2-CD1 4.23Å; F84-F93 AromaticContact CD2-CD2 3.44Å; F84-F93 HydrophobicContact CD2-CD2 3.44Å; F84-F93 VanDerWaalsContact CD2-CD2 3.44Å; F84-F93 HydrophobicContact CD2-CE1 4.19Å; F84-F93 AromaticContact CD2-CE2 3.41Å; F84-F93 HydrophobicContact CD2-CE2 3.41Å; F84-F93 VanDerWaalsContact CD2-CE2 3.41Å; F84-F93 AromaticContact CD2-CG 3.87Å; F84-F93 HydrophobicContact CD2-CG 3.87Å; F84-F93 AromaticContact CD2-CZ 3.79Å; F84-F93 HydrophobicContact CD2-CZ 3.79Å; F84-F93 HydrophobicContact CE1-CE2 4.36Å; F84-F93 AromaticContact CE2-CD2 3.89Å; F84-F93 HydrophobicContact CE2-CD2 3.89Å; F84-F93 HydrophobicContact CE2-CE1 4.26Å; F84-F93 AromaticContact CE2-CE2 3.32Å; F84-F93 HydrophobicContact CE2-CE2 3.32Å; F84-F93 AromaticContact CE2-CZ 3.53Å; F84-F93 HydrophobicContact CE2-CZ 3.53Å; F84-F93 AromaticContact CG-CD2 3.72Å; F84-F93 HydrophobicContact CG-CD2 3.72Å; F84-F93 HydrophobicContact CG-CE2 4.01Å; F84-F93 HydrophobicContact CG-CG 4.28Å; F84-F93 AromaticContact CZ-CE2 3.84Å; F84-F93 HydrophobicContact CZ-CE2 3.84Å; F84-F93 HydrophobicContact CZ-CZ 4.32Å; V85-F93 CarbonylContact O-C 3.39Å; V85-F93 WeakPolarHBondContact O-CA 3.33Å; L86-F93 HydrophobicContact CD2-CB 4.04Å; F93-L131 HydrophobicContact CE2-CD2 4.5Å; F93-K132 WeakPolarHBondContact O-CA 3.3Å; F93-G133 VanDerWaalsContact CE1-C 3.41Å; F93-G133 PolarHBondContact N-O 2.78Å; F93-G133 PolarHBondContact O-N 3.49Å; F93-I135 HydrophobicContact CD1-CD1 4.45Å; F93-I135 HydrophobicContact CD1-CG1 3.88Å; F93-I135 HydrophobicContact CE1-CG1 4.31Å |
| 94 | T | 96 | Very high | 92.3 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.2 | 160.2 | -56.8 | 0 | 0 | 0 | 0 | 108.5 | F84 V85 L131 | F84-T94 CarbonylContact C-O 3.55Å; V85-T94 PolarHBondContact N-O 3.43Å; V85-T94 PolarHBondContact O-N 2.93Å; T94-L131 CarbonylContact C-O 3.57Å; T94-L131 WeakPolarHBondContact CA-O 3.48Å |
| 95 | G | 95.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 153.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R83 N130 L131 | R83-G95 CarbonylContact O-C 3.58Å; R83-G95 VanDerWaalsContact O-CA 3.3Å; R83-G95 WeakPolarHBondContact O-CA 3.43Å; G95-N130 PolarHBondContact O-N 2.96Å; G95-L131 PolarHBondContact N-O 3.45Å; G95-L131 WeakPolarHBondContact O-CB 3.48Å; G95-L131 PolarHBondContact O-N 3.19Å |
| 96 | T | 96.7 | Very high | 92.2 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.4 | 167.1 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | R83 L128 E129 | R83-T96 PolarHBondContact N-O 2.75Å; R83-T96 PolarHBondContact O-N 3.47Å; T96-L128 VanDerWaalsContact CA-O 3.26Å; T96-L128 WeakPolarHBondContact CA-O 3.13Å; T96-E129 HydrophobicContact CG2-CG 4.35Å |
| 97 | I | 97.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 126.6 | 176.1 | -51.9 | -178.7 | 0 | 0 | 0 | 108.2 | F46 V78 A82 F84 L99 L128 L131 F154 | F46-I97 HydrophobicContact CE2-CD1 3.68Å; F46-I97 HydrophobicContact CZ-CD1 3.92Å; V78-I97 HydrophobicContact CG1-CG2 4.1Å; V78-I97 HydrophobicContact CG2-CG2 3.74Å; A82-I97 HydrophobicContact CB-CD1 4.44Å; A82-I97 HydrophobicContact CB-CG1 3.9Å; F84-I97 HydrophobicContact CE1-CD1 4.16Å; F84-I97 HydrophobicContact CE1-CG1 4.08Å; F84-I97 HydrophobicContact CZ-CD1 4.29Å; I97-L99 HydrophobicContact CG2-CD2 3.88Å; I97-L99 HydrophobicContact CG2-CG 4.45Å; I97-L128 HydrophobicContact CB-CB 4.31Å; I97-L128 HydrophobicContact CB-CD1 4.45Å; I97-L128 PolarHBondContact N-O 2.98Å; I97-L128 PolarHBondContact O-N 2.91Å; I97-L131 HydrophobicContact CD1-CD2 4.06Å; I97-F154 HydrophobicContact CD1-CE2 4.33Å; I97-F154 HydrophobicContact CD1-CZ 4.23Å |
| 98 | S | 96.9 | Very high | 92.7 | Very high | 35 Ų | 35 | 67.5 Ų | 67.5 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.1 | 172.3 | -61.9 | 0 | 0 | 0 | 0 | 109 | V78 A79 | V78-S98 CarbonylContact C-O 3.53Å; V78-S98 WeakPolarHBondContact CA-O 3.49Å; A79-S98 PolarHBondContact N-O 3.24Å |
| 99 | L | 97.5 | Very high | 93.7 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.2 | -177.8 | -59.8 | 177 | 0 | 0 | 0 | 110.7 | I62 I76 Q77 V78 I97 F117 T125 R126 L128 | I62-L99 HydrophobicContact CD1-CD1 3.5Å; I62-L99 VanDerWaalsContact CD1-CD1 3.5Å; I62-L99 HydrophobicContact CG1-CD1 4.49Å; I76-L99 HydrophobicContact CG2-CD2 4.4Å; Q77-L99 CarbonylContact O-C 3.4Å; Q77-L99 WeakPolarHBondContact O-CA 3.21Å; V78-L99 HydrophobicContact CG2-CD2 3.77Å; I97-L99 HydrophobicContact CG2-CD2 3.88Å; I97-L99 HydrophobicContact CG2-CG 4.45Å; L99-F117 HydrophobicContact CB-CE1 3.85Å; L99-F117 HydrophobicContact CB-CZ 3.99Å; L99-F117 HydrophobicContact CD1-CZ 4.07Å; L99-T125 VanDerWaalsContact O-CA 3.28Å; L99-T125 WeakPolarHBondContact O-CA 3.35Å; L99-R126 PolarHBondContact N-O 2.93Å; L99-R126 PolarHBondContact O-N 2.91Å; L99-L128 HydrophobicContact CD1-CD1 3.99Å; L99-L128 HydrophobicContact CD1-CG 4.17Å |
| 100 | Y | 97.6 | Very high | 94.8 | Very high | 63 Ų | 63 | 64.3 Ų | 64.3 | 25% | 0.247 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 143.4 | 161 | -67.1 | -35 | 0 | 0 | 0 | 110.9 | I76 Q77 A79 H123 C124 T125 | I76-Y100 WeakPolarHBondContact CA-O 3.05Å; Q77-Y100 PolarHBondContact N-O 2.82Å; Q77-Y100 PolarHBondContact O-N 3.49Å; A79-Y100 HydrophobicContact CB-CD1 4Å; A79-Y100 HydrophobicContact CB-CD2 3.58Å; A79-Y100 HydrophobicContact CB-CE1 3.76Å; A79-Y100 HydrophobicContact CB-CE2 3.31Å; A79-Y100 HydrophobicContact CB-CG 3.92Å; A79-Y100 VanDerWaalsContact CB-CZ 3.41Å; Y100-H123 AromaticContact CD1-CD2 3.38Å; Y100-H123 WeakPolarHBondContact CD1-CD2 3.38Å; Y100-H123 AromaticContact CD1-NE2 3.66Å; Y100-H123 AromaticContact CE1-CD2 3.66Å; Y100-H123 AromaticContact CE1-NE2 3.4Å; Y100-H123 WeakPolarHBondContact CE1-NE2 3.43Å; Y100-H123 AromaticContact CZ-NE2 3.93Å; Y100-C124 CarbonylContact C-O 3.57Å; Y100-C124 WeakPolarHBondContact CA-O 3.39Å; Y100-T125 HydrophobicContact CD1-CG2 4.16Å; Y100-T125 WeakPolarHBondContact CD1-OG1 3.35Å; Y100-T125 HydrophobicContact CE1-CG2 4Å; Y100-T125 WeakPolarHBondContact CE1-OG1 3.04Å |
| 101 | Y | 97.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 115.1 | 167.7 | -174.4 | -102.4 | 0 | 0 | 0 | 110.3 | L71 N72 N75 I76 W103 E108 A112 H123 C124 | L71-Y101 HydrophobicContact CD1-CD2 4.23Å; L71-Y101 HydrophobicContact CD1-CE1 4.3Å; L71-Y101 HydrophobicContact CD1-CE2 3.56Å; L71-Y101 HydrophobicContact CG-CE2 3.98Å; N72-Y101 PolarHBondContact N-OH 2.82Å; N75-Y101 HydrophobicContact CB-CD2 4.08Å; N75-Y101 HydrophobicContact CB-CE2 3.78Å; N75-Y101 VanDerWaalsContact O-CA 3.31Å; N75-Y101 WeakPolarHBondContact O-CA 3.45Å; I76-Y101 HydrophobicContact CG1-CD2 3.62Å; I76-Y101 HydrophobicContact CG1-CE2 4.06Å; Y101-W103 HydrophobicContact CD1-CB 4.17Å; Y101-W103 HydrophobicContact CE1-CB 3.98Å; Y101-W103 PolarHBondContact O-N 3.24Å; Y101-E108 HydrophobicContact CE1-CB 4.12Å; Y101-A112 HydrophobicContact CD1-CB 3.53Å; Y101-A112 HydrophobicContact CE1-CB 3.97Å; Y101-A112 HydrophobicContact CG-CB 4.2Å; Y101-H123 CarbonylContact O-C 3.41Å; Y101-H123 WeakPolarHBondContact O-CA 3.04Å; Y101-H123 WeakPolarHBondContact O-CB 3.24Å; Y101-C124 PolarHBondContact N-O 3.14Å; Y101-C124 PolarHBondContact O-N 2.63Å |
| 102 | Y | 97.2 | Very high | 95.9 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | trans | -90.5 | 95 | 179.7 | -63.9 | -87 | 0 | 0 | 0 | 110.4 | N75 Q77 H123 | N75-Y102 WeakPolarHBondContact CB-O 3.3Å; N75-Y102 PolarHBondContact ND2-O 3.47Å; N75-Y102 PolarHBondContact O-N 3.33Å; Q77-Y102 HydrophobicContact CB-CE2 4.34Å; Q77-Y102 HydrophobicContact CG-CE2 4.25Å; Y102-H123 HydrophobicContact CD1-CB 3.83Å; Y102-H123 HydrophobicContact CE1-CB 3.95Å; Y102-H123 HydrophobicContact CG-CB 4.37Å | ||
| 103 | W | 95 | Very high | 96 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 19% | 0.189 | 26% | 0.262 | C | S | . | . | trans | -79.3 | 147.3 | 179.6 | 56.2 | -90.7 | 0 | 0 | 0 | 111.4 | Y101 E108 K109 V121 | Y101-W103 HydrophobicContact CD1-CB 4.17Å; Y101-W103 HydrophobicContact CE1-CB 3.98Å; Y101-W103 PolarHBondContact O-N 3.24Å; W103-E108 WeakPolarHBondContact CA-OE2 3.29Å; W103-E108 HydrophobicContact CB-CB 3.94Å; W103-K109 HydrophobicContact CB-CB 4.06Å; W103-K109 HydrophobicContact CD2-CB 3.87Å; W103-K109 HydrophobicContact CD2-CD 3.99Å; W103-K109 HydrophobicContact CD2-CG 4.11Å; W103-K109 HydrophobicContact CE3-CB 4.23Å; W103-K109 HydrophobicContact CE3-CD 4.28Å; W103-K109 HydrophobicContact CG-CB 3.78Å; W103-K109 HydrophobicContact CG-CG 4.13Å; W103-K109 HydrophobicContact CH2-CD 4.24Å; W103-K109 HydrophobicContact CZ2-CD 3.91Å; W103-K109 HydrophobicContact CZ3-CD 4.41Å; W103-V121 VanDerWaalsContact CZ2-O 3.24Å; W103-V121 WeakPolarHBondContact CZ2-O 3.46Å | ||
| 104 | N | 93.4 | Very high | 96.1 | Very high | 114 Ų | 114 | 57.1 Ų | 57.1 | 61% | 0.61 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -106.9 | -19.9 | 179.4 | -60.8 | -72.5 | 0 | 0 | 0 | 113.3 | N75 E108 | N75-N104 PolarHBondContact ND2-ND2 2.89Å; N104-E108 PolarHBondContact N-OE2 2.98Å; N104-E108 PolarHBondContact ND2-OE2 2.85Å; N104-E108 VanDerWaalsContact ND2-OE2 3.08Å |
| 105 | N | 94.9 | Very high | 96.1 | Very high | 69 Ų | 69 | 56.4 Ų | 56.4 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -147.8 | 168.4 | -179.3 | 60 | 56.3 | 0 | 0 | 0 | 110.3 | E107 E108 K109 | N105-E107 VanDerWaalsContact C-N 3.26Å; N105-E107 PolarHBondContact O-N 2.97Å; N105-E107 WeakPolarHBondContact OD1-CB 3.38Å; N105-E107 PolarHBondContact OD1-N 2.86Å; N105-E107 VanDerWaalsContact OD1-N 3.12Å; N105-E108 PolarHBondContact O-N 2.82Å; N105-E108 PolarHBondContact OD1-N 3.3Å; N105-K109 PolarHBondContact O-N 2.84Å |
| 106 | E | 94.3 | Very high | 96.1 | Very high | 120 Ų | 120 | 58.4 Ų | 58.4 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.1 | -24.4 | -177.4 | -71.2 | -66.1 | 139.5 | 0 | 0 | 113.1 | K109 A110 | E106-K109 PolarHBondContact O-N 2.78Å; E106-K109 IonicContact OE1-NZ 2.71Å; E106-K109 PolarHBondContact OE1-NZ 3.18Å; E106-K109 WeakPolarHBondContact OE2-CD 3.4Å; E106-K109 IonicContact OE2-NZ 2.75Å; E106-K109 PolarHBondContact OE2-NZ 3.04Å; E106-A110 VanDerWaalsContact O-CB 3.3Å; E106-A110 WeakPolarHBondContact O-CB 3.29Å; E106-A110 PolarHBondContact O-N 3.37Å |
| 107 | E | 94.9 | Very high | 96.1 | Very high | 163 Ų | 163 | 56 Ų | 56 | 76% | 0.762 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.5 | -46.1 | 175.2 | -62.2 | -179.5 | 178.1 | 0 | 0 | 111.4 | N105 K109 A110 L111 | N105-E107 VanDerWaalsContact C-N 3.26Å; N105-E107 PolarHBondContact O-N 2.97Å; N105-E107 WeakPolarHBondContact OD1-CB 3.38Å; N105-E107 PolarHBondContact OD1-N 2.86Å; N105-E107 VanDerWaalsContact OD1-N 3.12Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 PolarHBondContact O-N 3.36Å; E107-A110 PolarHBondContact O-N 3.03Å; E107-L111 WeakPolarHBondContact O-CB 3.47Å; E107-L111 PolarHBondContact O-N 2.8Å |
| 108 | E | 95 | Very high | 96.1 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | 174.9 | -77.3 | -173.4 | 178.1 | 0 | 0 | 111.7 | Y101 W103 N104 N105 L111 A112 | Y101-E108 HydrophobicContact CE1-CB 4.12Å; W103-E108 WeakPolarHBondContact CA-OE2 3.29Å; W103-E108 HydrophobicContact CB-CB 3.94Å; N104-E108 PolarHBondContact N-OE2 2.98Å; N104-E108 PolarHBondContact ND2-OE2 2.85Å; N104-E108 VanDerWaalsContact ND2-OE2 3.08Å; N105-E108 PolarHBondContact O-N 2.82Å; N105-E108 PolarHBondContact OD1-N 3.3Å; E108-L111 PolarHBondContact O-N 2.75Å; E108-A112 WeakPolarHBondContact O-CB 3.5Å; E108-A112 PolarHBondContact O-N 2.77Å |
| 109 | K | 96.2 | Very high | 96.1 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 176.9 | -174.9 | -175.6 | 169.4 | -161.6 | 0 | 111.9 | W103 N105 E106 E107 L111 A112 T113 C119 | W103-K109 HydrophobicContact CB-CB 4.06Å; W103-K109 HydrophobicContact CD2-CB 3.87Å; W103-K109 HydrophobicContact CD2-CD 3.99Å; W103-K109 HydrophobicContact CD2-CG 4.11Å; W103-K109 HydrophobicContact CE3-CB 4.23Å; W103-K109 HydrophobicContact CE3-CD 4.28Å; W103-K109 HydrophobicContact CG-CB 3.78Å; W103-K109 HydrophobicContact CG-CG 4.13Å; W103-K109 HydrophobicContact CH2-CD 4.24Å; W103-K109 HydrophobicContact CZ2-CD 3.91Å; W103-K109 HydrophobicContact CZ3-CD 4.41Å; N105-K109 PolarHBondContact O-N 2.84Å; E106-K109 PolarHBondContact O-N 2.78Å; E106-K109 IonicContact OE1-NZ 2.71Å; E106-K109 PolarHBondContact OE1-NZ 3.18Å; E106-K109 WeakPolarHBondContact OE2-CD 3.4Å; E106-K109 IonicContact OE2-NZ 2.75Å; E106-K109 PolarHBondContact OE2-NZ 3.04Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 PolarHBondContact O-N 3.36Å; K109-L111 VanDerWaalsContact C-N 3.33Å; K109-A112 PolarHBondContact O-N 3Å; K109-T113 WeakPolarHBondContact O-CB 3.38Å; K109-T113 PolarHBondContact O-N 3.48Å; K109-T113 PolarHBondContact O-OG1 2.91Å; K109-C119 HydrophobicContact CD-CB 4.49Å; K109-C119 HydrophobicContact CG-CB 3.83Å |
| 110 | A | 96.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E106 E107 T113 H114 | E106-A110 VanDerWaalsContact O-CB 3.3Å; E106-A110 WeakPolarHBondContact O-CB 3.29Å; E106-A110 PolarHBondContact O-N 3.37Å; E107-A110 PolarHBondContact O-N 3.03Å; A110-T113 WeakPolarHBondContact O-CB 3.48Å; A110-T113 PolarHBondContact O-N 2.86Å; A110-H114 PolarHBondContact O-N 3.19Å |
| 111 | L | 96.2 | Very high | 95.6 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 17% | 0.173 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.3 | -174.8 | 63.1 | 0 | 0 | 0 | 112.1 | A70 L71 E107 E108 K109 T113 H114 Y115 | A70-L111 VanDerWaalsContact C-CD2 3.48Å; A70-L111 HydrophobicContact CB-CD2 3.73Å; A70-L111 WeakPolarHBondContact O-CD2 3.43Å; L71-L111 HydrophobicContact CB-CD2 4.03Å; L71-L111 HydrophobicContact CD1-CD2 4.07Å; L71-L111 HydrophobicContact CD1-CG 4.29Å; E107-L111 WeakPolarHBondContact O-CB 3.47Å; E107-L111 PolarHBondContact O-N 2.8Å; E108-L111 PolarHBondContact O-N 2.75Å; K109-L111 VanDerWaalsContact C-N 3.33Å; L111-T113 VanDerWaalsContact C-N 3.28Å; L111-T113 PolarHBondContact O-N 2.65Å; L111-H114 WeakPolarHBondContact O-CB 3.48Å; L111-H114 PolarHBondContact O-N 3.14Å; L111-H114 VanDerWaalsContact O-N 3.16Å; L111-Y115 HydrophobicContact CD1-CD2 4.19Å; L111-Y115 HydrophobicContact CD1-CE2 3.74Å; L111-Y115 HydrophobicContact CG-CD2 4.23Å; L111-Y115 HydrophobicContact CG-CE2 4.11Å; L111-Y115 WeakPolarHBondContact O-CD2 3.34Å; L111-Y115 PolarHBondContact O-N 2.98Å; L111-Y115 VanDerWaalsContact O-N 3.08Å |
| 112 | A | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.008 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y101 E108 K109 Y115 G116 F117 C124 | Y101-A112 HydrophobicContact CD1-CB 3.53Å; Y101-A112 HydrophobicContact CE1-CB 3.97Å; Y101-A112 HydrophobicContact CG-CB 4.2Å; E108-A112 WeakPolarHBondContact O-CB 3.5Å; E108-A112 PolarHBondContact O-N 2.77Å; K109-A112 PolarHBondContact O-N 3Å; A112-Y115 CarbonylContact O-C 3.59Å; A112-Y115 VanDerWaalsContact O-C 3.28Å; A112-Y115 WeakPolarHBondContact O-CA 3.42Å; A112-Y115 PolarHBondContact O-N 3.18Å; A112-G116 PolarHBondContact O-N 2.98Å; A112-F117 HydrophobicContact CB-CB 4.16Å; A112-F117 HydrophobicContact CB-CG 4.31Å; A112-F117 WeakPolarHBondContact O-CB 3.47Å; A112-F117 WeakPolarHBondContact O-CD2 3.39Å; A112-F117 PolarHBondContact O-N 2.8Å; A112-C124 HydrophobicContact CB-CB 4.33Å |
| 113 | T | 96.4 | Very high | 95.2 | Very high | 74 Ų | 74 | 70 Ų | 70 | 45% | 0.454 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175.3 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | K109 A110 L111 Y115 G116 C119 | K109-T113 WeakPolarHBondContact O-CB 3.38Å; K109-T113 PolarHBondContact O-N 3.48Å; K109-T113 PolarHBondContact O-OG1 2.91Å; A110-T113 WeakPolarHBondContact O-CB 3.48Å; A110-T113 PolarHBondContact O-N 2.86Å; L111-T113 VanDerWaalsContact C-N 3.28Å; L111-T113 PolarHBondContact O-N 2.65Å; T113-Y115 VanDerWaalsContact C-N 3.25Å; T113-Y115 PolarHBondContact O-N 3.16Å; T113-G116 WeakPolarHBondContact O-CA 3.31Å; T113-G116 PolarHBondContact O-N 3.32Å; T113-C119 PolarHBondContact OG1-SG 2.86Å; T113-C119 VanDerWaalsContact OG1-SG 3.36Å |
| 114 | H | 96.1 | Very high | 95.3 | Very high | 141 Ų | 141 | 67.6 Ų | 67.6 | 65% | 0.653 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.8 | -39 | 173.3 | 177.4 | 71.2 | 0 | 0 | 0 | 111.7 | A110 L111 G116 | A110-H114 PolarHBondContact O-N 3.19Å; L111-H114 WeakPolarHBondContact O-CB 3.48Å; L111-H114 PolarHBondContact O-N 3.14Å; L111-H114 VanDerWaalsContact O-N 3.16Å; H114-G116 PolarHBondContact O-N 2.87Å |
| 115 | Y | 95.7 | Very high | 95.5 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 11% | 0.114 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 23 | 170.5 | -70.1 | -64.4 | 0 | 0 | 0 | 113.5 | M65 D68 L111 A112 T113 F117 R126 | M65-Y115 HydrophobicContact CB-CD1 3.61Å; M65-Y115 HydrophobicContact CB-CD2 4.35Å; M65-Y115 HydrophobicContact CB-CE1 3.85Å; M65-Y115 HydrophobicContact CB-CG 3.9Å; M65-Y115 HydrophobicContact CG-CD1 3.93Å; M65-Y115 HydrophobicContact CG-CD2 3.84Å; M65-Y115 HydrophobicContact CG-CE1 4.38Å; M65-Y115 HydrophobicContact CG-CE2 4.29Å; M65-Y115 HydrophobicContact CG-CG 3.64Å; M65-Y115 HydrophobicContact SD-CG 4.3Å; D68-Y115 HydrophobicContact CB-CE2 4.16Å; D68-Y115 WeakPolarHBondContact CB-OH 3.48Å; D68-Y115 WeakPolarHBondContact OD2-CE2 3.35Å; D68-Y115 PolarHBondContact OD2-OH 3.27Å; L111-Y115 HydrophobicContact CD1-CD2 4.19Å; L111-Y115 HydrophobicContact CD1-CE2 3.74Å; L111-Y115 HydrophobicContact CG-CD2 4.23Å; L111-Y115 HydrophobicContact CG-CE2 4.11Å; L111-Y115 WeakPolarHBondContact O-CD2 3.34Å; L111-Y115 PolarHBondContact O-N 2.98Å; L111-Y115 VanDerWaalsContact O-N 3.08Å; A112-Y115 CarbonylContact O-C 3.59Å; A112-Y115 VanDerWaalsContact O-C 3.28Å; A112-Y115 WeakPolarHBondContact O-CA 3.42Å; A112-Y115 PolarHBondContact O-N 3.18Å; T113-Y115 VanDerWaalsContact C-N 3.25Å; T113-Y115 PolarHBondContact O-N 3.16Å; Y115-F117 VanDerWaalsContact C-N 3.33Å; Y115-F117 PolarHBondContact O-N 2.8Å; Y115-R126 WeakPolarHBondContact O-CD 3.02Å; Y115-R126 PolarHBondContact O-NH1 2.92Å |
| 116 | G | 95.3 | Very high | 95.6 | Very high | 44 Ų | 44 | 64 Ų | 64 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 23.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A112 T113 H114 | A112-G116 PolarHBondContact O-N 2.98Å; T113-G116 WeakPolarHBondContact O-CA 3.31Å; T113-G116 PolarHBondContact O-N 3.32Å; H114-G116 PolarHBondContact O-N 2.87Å |
| 117 | F | 97 | Very high | 95.6 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | trans | -77.3 | 141.9 | 166 | -72.5 | -115.2 | 0 | 0 | 0 | 110.5 | M65 L99 A112 Y115 C124 T125 R126 | M65-F117 HydrophobicContact CE-CE2 4.06Å; M65-F117 HydrophobicContact CE-CZ 4.01Å; M65-F117 HydrophobicContact SD-CD2 4.48Å; M65-F117 HydrophobicContact SD-CE2 3.43Å; M65-F117 WeakPolarHBondContact SD-CE2 3.48Å; M65-F117 HydrophobicContact SD-CZ 4.01Å; L99-F117 HydrophobicContact CB-CE1 3.85Å; L99-F117 HydrophobicContact CB-CZ 3.99Å; L99-F117 HydrophobicContact CD1-CZ 4.07Å; A112-F117 HydrophobicContact CB-CB 4.16Å; A112-F117 HydrophobicContact CB-CG 4.31Å; A112-F117 WeakPolarHBondContact O-CB 3.47Å; A112-F117 WeakPolarHBondContact O-CD2 3.39Å; A112-F117 PolarHBondContact O-N 2.8Å; Y115-F117 VanDerWaalsContact C-N 3.33Å; Y115-F117 PolarHBondContact O-N 2.8Å; F117-C124 HydrophobicContact CB-CB 3.49Å; F117-C124 VanDerWaalsContact CB-CB 3.49Å; F117-C124 HydrophobicContact CD1-CB 3.92Å; F117-C124 HydrophobicContact CG-CB 4.1Å; F117-T125 WeakPolarHBondContact CA-O 3.39Å; F117-R126 HydrophobicContact CB-CB 4.4Å; F117-R126 HydrophobicContact CD1-CB 3.62Å; F117-R126 HydrophobicContact CD2-CB 3.77Å; F117-R126 HydrophobicContact CD2-CG 4.42Å; F117-R126 HydrophobicContact CE1-CB 3.66Å; F117-R126 HydrophobicContact CE2-CB 3.76Å; F117-R126 HydrophobicContact CE2-CG 4.32Å; F117-R126 HydrophobicContact CG-CB 3.68Å; F117-R126 HydrophobicContact CZ-CB 3.72Å | ||
| 118 | A | 97.6 | Very high | 95.6 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | C124 T125 | A118-C124 CarbonylContact O-C 3.59Å; A118-C124 VanDerWaalsContact O-CA 3.24Å; A118-C124 WeakPolarHBondContact O-CA 3.32Å; A118-T125 PolarHBondContact N-O 2.79Å; A118-T125 PolarHBondContact O-N 2.96Å |
| 119 | C | 96.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 28% | 0.277 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.8 | -174.7 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | K109 T113 C124 | K109-C119 HydrophobicContact CD-CB 4.49Å; K109-C119 HydrophobicContact CG-CB 3.83Å; T113-C119 PolarHBondContact OG1-SG 2.86Å; T113-C119 VanDerWaalsContact OG1-SG 3.36Å; C119-C124 VanDerWaalsContact CA-SG 3.55Å; C119-C124 HydrophobicContact CB-CB 3.88Å; C119-C124 WeakPolarHBondContact CB-SG 3.28Å; C119-C124 WeakPolarHBondContact SG-CB 3.46Å; C119-C124 CovalentContact SG-SG 2.03Å; C119-C124 PolarHBondContact SG-SG 3.02Å |
| 120 | G | 93.2 | Very high | 95.4 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | trans | -98.8 | -161.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H123 | G120-H123 PolarHBondContact N-O 2.78Š| ||
| 121 | V | 91.2 | Very high | 95.3 | Very high | 135 Ų | 135 | 58.7 Ų | 58.7 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -71.4 | -34.1 | -179.1 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | W103 | W103-V121 VanDerWaalsContact CZ2-O 3.24Å; W103-V121 WeakPolarHBondContact CZ2-O 3.46Å |
| 122 | Q | 91 | Very high | 95.3 | Very high | 152 Ų | 152 | 61.5 Ų | 61.5 | 71% | 0.71 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -105.6 | -32 | -172 | -68.5 | -178 | -21.9 | 0 | 0 | 114 | ||
| 123 | H | 96 | Very high | 95.1 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 20% | 0.199 | 35% | 0.351 | C | S | . | . | trans | -160.3 | 168.9 | -176.6 | 54.9 | -91.9 | 0 | 0 | 0 | 109.3 | Y100 Y101 Y102 G120 T125 | Y100-H123 AromaticContact CD1-CD2 3.38Å; Y100-H123 WeakPolarHBondContact CD1-CD2 3.38Å; Y100-H123 AromaticContact CD1-NE2 3.66Å; Y100-H123 AromaticContact CE1-CD2 3.66Å; Y100-H123 AromaticContact CE1-NE2 3.4Å; Y100-H123 WeakPolarHBondContact CE1-NE2 3.43Å; Y100-H123 AromaticContact CZ-NE2 3.93Å; Y101-H123 CarbonylContact O-C 3.41Å; Y101-H123 WeakPolarHBondContact O-CA 3.04Å; Y101-H123 WeakPolarHBondContact O-CB 3.24Å; Y102-H123 HydrophobicContact CD1-CB 3.83Å; Y102-H123 HydrophobicContact CE1-CB 3.95Å; Y102-H123 HydrophobicContact CG-CB 4.37Å; G120-H123 PolarHBondContact N-O 2.78Å; H123-T125 PolarHBondContact CD2-OG1 3.25Å | ||
| 124 | C | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 152.4 | 166.8 | -41.4 | 0 | 0 | 0 | 0 | 110.9 | Y100 Y101 A112 F117 A118 C119 | Y100-C124 CarbonylContact C-O 3.57Å; Y100-C124 WeakPolarHBondContact CA-O 3.39Å; Y101-C124 PolarHBondContact N-O 3.14Å; Y101-C124 PolarHBondContact O-N 2.63Å; A112-C124 HydrophobicContact CB-CB 4.33Å; F117-C124 HydrophobicContact CB-CB 3.49Å; F117-C124 VanDerWaalsContact CB-CB 3.49Å; F117-C124 HydrophobicContact CD1-CB 3.92Å; F117-C124 HydrophobicContact CG-CB 4.1Å; A118-C124 CarbonylContact O-C 3.59Å; A118-C124 VanDerWaalsContact O-CA 3.24Å; A118-C124 WeakPolarHBondContact O-CA 3.32Å; C119-C124 VanDerWaalsContact CA-SG 3.55Å; C119-C124 HydrophobicContact CB-CB 3.88Å; C119-C124 WeakPolarHBondContact CB-SG 3.28Å; C119-C124 WeakPolarHBondContact SG-CB 3.46Å; C119-C124 CovalentContact SG-SG 2.03Å; C119-C124 PolarHBondContact SG-SG 3.02Å |
| 125 | T | 97.4 | Very high | 94.9 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.4 | -177.7 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | L99 Y100 F117 A118 H123 | L99-T125 VanDerWaalsContact O-CA 3.28Å; L99-T125 WeakPolarHBondContact O-CA 3.35Å; Y100-T125 HydrophobicContact CD1-CG2 4.16Å; Y100-T125 WeakPolarHBondContact CD1-OG1 3.35Å; Y100-T125 HydrophobicContact CE1-CG2 4Å; Y100-T125 WeakPolarHBondContact CE1-OG1 3.04Å; F117-T125 WeakPolarHBondContact CA-O 3.39Å; A118-T125 PolarHBondContact N-O 2.79Å; A118-T125 PolarHBondContact O-N 2.96Å; H123-T125 PolarHBondContact CD2-OG1 3.25Å |
| 126 | R | 96.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 57 Ų | 57 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 132.4 | 171.2 | -179.9 | 171 | 170.6 | 122.2 | 0.1 | 110.7 | D61 L99 Y115 F117 L128 | D61-R126 IonicContact OD2-NH2 2.75Å; L99-R126 PolarHBondContact N-O 2.93Å; L99-R126 PolarHBondContact O-N 2.91Å; Y115-R126 WeakPolarHBondContact O-CD 3.02Å; Y115-R126 PolarHBondContact O-NH1 2.92Å; F117-R126 HydrophobicContact CB-CB 4.4Å; F117-R126 HydrophobicContact CD1-CB 3.62Å; F117-R126 HydrophobicContact CD2-CB 3.77Å; F117-R126 HydrophobicContact CD2-CG 4.42Å; F117-R126 HydrophobicContact CE1-CB 3.66Å; F117-R126 HydrophobicContact CE2-CB 3.76Å; F117-R126 HydrophobicContact CE2-CG 4.32Å; F117-R126 HydrophobicContact CG-CB 3.68Å; F117-R126 HydrophobicContact CZ-CB 3.72Å; R126-L128 HydrophobicContact CG-CD2 4.44Å |
| 127 | S | 95 | Very high | 94.5 | Very high | 62 Ų | 62 | 63.1 Ų | 63.1 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.9 | 171.8 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 128 | L | 94.8 | Very high | 94.2 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 105.2 | 166 | -54.5 | -178.2 | 0 | 0 | 0 | 107.3 | I62 T96 I97 L99 R126 | I62-L128 HydrophobicContact CB-CD1 4Å; I62-L128 HydrophobicContact CB-CD2 4.32Å; I62-L128 HydrophobicContact CD1-CD1 4.14Å; I62-L128 HydrophobicContact CG1-CD1 3.82Å; I62-L128 HydrophobicContact CG2-CD1 4.13Å; T96-L128 VanDerWaalsContact CA-O 3.26Å; T96-L128 WeakPolarHBondContact CA-O 3.13Å; I97-L128 HydrophobicContact CB-CB 4.31Å; I97-L128 HydrophobicContact CB-CD1 4.45Å; I97-L128 PolarHBondContact N-O 2.98Å; I97-L128 PolarHBondContact O-N 2.91Å; L99-L128 HydrophobicContact CD1-CD1 3.99Å; L99-L128 HydrophobicContact CD1-CG 4.17Å; R126-L128 HydrophobicContact CG-CD2 4.44Å |
| 129 | E | 93.6 | Very high | 93.7 | Very high | 127 Ų | 127 | 66 Ų | 66 | 59% | 0.593 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 154.4 | 179.8 | -61.2 | -169.4 | 177.7 | 0 | 0 | 111.2 | T96 L131 | T96-E129 HydrophobicContact CG2-CG 4.35Å; E129-L131 PolarHBondContact O-N 2.87Å |
| 130 | N | 93 | Very high | 93.3 | Very high | 106 Ų | 106 | 73 Ų | 73 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.6 | 26 | 175.2 | -55.2 | -59.5 | 0 | 0 | 0 | 114.9 | G95 K132 | G95-N130 PolarHBondContact O-N 2.96Å; N130-K132 WeakPolarHBondContact O-CG 3.17Å; N130-K132 PolarHBondContact O-N 3.43Å |
| 131 | L | 95.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.016 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 125.6 | 171.7 | -170.9 | 76.2 | 0 | 0 | 0 | 108.7 | F46 I55 A59 F84 F93 T94 G95 I97 E129 | F46-L131 HydrophobicContact CE2-CD2 3.83Å; I55-L131 HydrophobicContact CD1-CD2 3.83Å; I55-L131 HydrophobicContact CD1-CG 4.21Å; I55-L131 HydrophobicContact CG2-CD1 3.46Å; I55-L131 VanDerWaalsContact CG2-CD1 3.46Å; I55-L131 HydrophobicContact CG2-CG 3.94Å; A59-L131 HydrophobicContact CB-CD1 4.42Å; F84-L131 HydrophobicContact CE1-CD2 4.11Å; F84-L131 HydrophobicContact CZ-CD2 3.91Å; F93-L131 HydrophobicContact CE2-CD2 4.5Å; T94-L131 CarbonylContact C-O 3.57Å; T94-L131 WeakPolarHBondContact CA-O 3.48Å; G95-L131 PolarHBondContact N-O 3.45Å; G95-L131 WeakPolarHBondContact O-CB 3.48Å; G95-L131 PolarHBondContact O-N 3.19Å; I97-L131 HydrophobicContact CD1-CD2 4.06Å; E129-L131 PolarHBondContact O-N 2.87Å |
| 132 | K | 95 | Very high | 92.6 | Very high | 92 Ų | 92 | 73 Ų | 73 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.5 | 177 | -52.9 | -179.2 | -169.6 | 126.6 | 0 | 110.3 | I55 T56 D57 F93 N130 | I55-K132 CarbonylContact C-O 3.58Å; I55-K132 WeakPolarHBondContact CA-O 3.38Å; I55-K132 WeakPolarHBondContact CG2-O 3.33Å; T56-K132 PolarHBondContact N-O 3.05Å; T56-K132 PolarHBondContact OG1-O 3.06Å; D57-K132 HydrophobicContact CB-CB 3.83Å; D57-K132 HydrophobicContact CB-CD 4.13Å; D57-K132 HydrophobicContact CB-CG 4.05Å; D57-K132 PolarHBondContact N-O 3.41Å; D57-K132 PolarHBondContact O-N 3.44Å; D57-K132 IonicContact OD2-NZ 2.8Å; D57-K132 PolarHBondContact OD2-NZ 3.29Å; F93-K132 WeakPolarHBondContact O-CA 3.3Å; N130-K132 WeakPolarHBondContact O-CG 3.17Å; N130-K132 PolarHBondContact O-N 3.43Å |
| 133 | G | 94 | Very high | 92.4 | Very high | 3 Ų | 3 | 69.2 Ų | 69.2 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | -177.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L54 K92 F93 | L54-G133 CarbonylContact O-C 3.56Å; L54-G133 WeakPolarHBondContact O-CA 3.21Å; K92-G133 CarbonylContact C-O 3.53Å; K92-G133 VanDerWaalsContact CA-O 3.29Å; K92-G133 WeakPolarHBondContact CA-O 2.98Å; F93-G133 VanDerWaalsContact CE1-C 3.41Å; F93-G133 PolarHBondContact N-O 2.78Å; F93-G133 PolarHBondContact O-N 3.49Å |
| 134 | T | 93.7 | Very high | 91.9 | Very high | 27 Ų | 27 | 73.4 Ų | 73.4 | 17% | 0.166 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.3 | 178.5 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | Y53 L54 K91 K92 H136 | Y53-T134 CarbonylContact C-O 3.49Å; Y53-T134 WeakPolarHBondContact CA-O 3.22Å; L54-T134 PolarHBondContact N-O 3.25Å; L54-T134 PolarHBondContact O-N 2.7Å; K91-T134 CarbonylContact O-C 3.56Å; K91-T134 WeakPolarHBondContact O-CA 3.43Å; K92-T134 HydrophobicContact CG-CG2 3.79Å; T134-H136 PolarHBondContact OG1-NE2 2.75Å |
| 135 | I | 93.2 | Very high | 91.4 | Very high | 31 Ų | 31 | 78.2 Ų | 78.2 | 16% | 0.159 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.7 | -177.8 | -51.5 | -178.7 | 0 | 0 | 0 | 108.9 | L51 Y53 L86 K91 F93 F158 | L51-I135 HydrophobicContact CB-CG2 4.35Å; L51-I135 HydrophobicContact CD1-CG2 3.78Å; Y53-I135 HydrophobicContact CD1-CB 4.42Å; Y53-I135 HydrophobicContact CD1-CG1 4Å; Y53-I135 HydrophobicContact CD1-CG2 4.2Å; Y53-I135 HydrophobicContact CE1-CB 4.48Å; Y53-I135 HydrophobicContact CE1-CD1 4.4Å; Y53-I135 HydrophobicContact CE1-CG1 4.12Å; Y53-I135 HydrophobicContact CE1-CG2 3.87Å; L86-I135 HydrophobicContact CD2-CD1 3.51Å; K91-I135 PolarHBondContact O-N 3.39Å; F93-I135 HydrophobicContact CD1-CD1 4.45Å; F93-I135 HydrophobicContact CD1-CG1 3.88Å; F93-I135 HydrophobicContact CE1-CG1 4.31Å; I135-F158 HydrophobicContact CD1-CD1 4.32Å; I135-F158 HydrophobicContact CD1-CE1 3.99Å |
| 136 | H | 92 | Very high | 90.9 | Very high | 91 Ų | 91 | 83.1 Ų | 83.1 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 154.2 | -178.8 | -62 | -91.7 | 0 | 0 | 0 | 110.6 | L51 D52 T134 | L51-H136 WeakPolarHBondContact CD2-O 3.41Å; D52-H136 PolarHBondContact N-O 3.05Å; D52-H136 PolarHBondContact O-N 3.32Å; T134-H136 PolarHBondContact OG1-NE2 2.75Å |
| 137 | E | 92.2 | Very high | 90.7 | Very high | 171 Ų | 171 | 81.5 Ų | 81.5 | 80% | 0.799 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 147 | 168 | -68.2 | -174.3 | -178.4 | 0 | 0 | 110.2 | N139 | E137-N139 PolarHBondContact O-N 3.27Å |
| 138 | K | 90.7 | Very high | 90.7 | Very high | 62 Ų | 62 | 79.9 Ų | 79.9 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | trans | -57.6 | 128.3 | 179.6 | -165.8 | -177.7 | -171.6 | 78.9 | 0 | 111.2 | G48 E49 K140 | G48-K138 PolarHBondContact O-NZ 2.98Å; E49-K138 WeakPolarHBondContact O-CE 3.49Å; E49-K138 PolarHBondContact O-NZ 2.9Å; K138-K140 PolarHBondContact O-N 2.69Å | ||
| 139 | N | 87 | Confident | 90.7 | Very high | 79 Ų | 79 | 82.2 Ų | 82.2 | 42% | 0.422 | 41% | 0.413 | S | S | . | . | trans | -70.3 | 103.8 | 173.9 | -178.5 | 1 | 0 | 0 | 0 | 110.5 | D52 E137 N141 M142 | D52-N139 WeakPolarHBondContact OD2-CB 3.4Å; D52-N139 PolarHBondContact OD2-N 2.87Å; E137-N139 PolarHBondContact O-N 3.27Å; N139-N141 PolarHBondContact O-N 2.94Å; N139-N141 PolarHBondContact OD1-N 3.19Å; N139-M142 HydrophobicContact CB-CB 4.2Å; N139-M142 HydrophobicContact CB-CE 3.9Å; N139-M142 WeakPolarHBondContact O-CB 3.46Å; N139-M142 PolarHBondContact O-N 3.03Å; N139-M142 PolarHBondContact OD1-N 3.32Å | ||
| 140 | K | 87.1 | Confident | 90.8 | Very high | 190 Ų | 190 | 77.9 Ų | 77.9 | 83% | 0.826 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.3 | -179.8 | -62.1 | -179.8 | -177.2 | 174.6 | 0 | 113.9 | K138 | K138-K140 PolarHBondContact O-N 2.69Š|
| 141 | N | 86.1 | Confident | 90.9 | Very high | 150 Ų | 150 | 78.2 Ų | 78.2 | 80% | 0.802 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 23.1 | -178.8 | -58.8 | -34 | 0 | 0 | 0 | 111.5 | N139 D143 | N139-N141 PolarHBondContact O-N 2.94Å; N139-N141 PolarHBondContact OD1-N 3.19Å; N141-D143 PolarHBondContact O-N 2.79Å |
| 142 | M | 84.1 | Confident | 91 | Very high | 25 Ų | 25 | 81.6 Ų | 81.6 | 12% | 0.123 | 40% | 0.402 | C | S | . | . | trans | -64.1 | 127.1 | -179.6 | -168.7 | 179.3 | -49.5 | 0 | 0 | 110.7 | V47 D52 N139 Y144 V147 | V47-M142 HydrophobicContact CG1-CE 4.02Å; V47-M142 HydrophobicContact CG1-SD 3.9Å; V47-M142 HydrophobicContact CG2-CE 4.18Å; V47-M142 HydrophobicContact CG2-SD 3.78Å; D52-M142 WeakPolarHBondContact OD1-CE 3.3Å; D52-M142 WeakPolarHBondContact OD2-CE 3.26Å; N139-M142 HydrophobicContact CB-CB 4.2Å; N139-M142 HydrophobicContact CB-CE 3.9Å; N139-M142 WeakPolarHBondContact O-CB 3.46Å; N139-M142 PolarHBondContact O-N 3.03Å; N139-M142 PolarHBondContact OD1-N 3.32Å; M142-Y144 HydrophobicContact CB-CE2 4.35Å; M142-Y144 WeakPolarHBondContact O-CD2 3.24Å; M142-Y144 PolarHBondContact O-N 2.93Å; M142-Y144 VanDerWaalsContact O-N 3.12Å; M142-Y144 HydrophobicContact SD-CE1 4.41Å; M142-V147 HydrophobicContact CG-CG2 4.17Å; M142-V147 HydrophobicContact SD-CG2 3.61Å | ||
| 143 | D | 86 | Confident | 91.2 | Very high | 71 Ų | 71 | 80.8 Ų | 80.8 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | trans | -78 | 94.8 | 171 | 179.8 | 2.5 | 0 | 0 | 0 | 109.2 | N141 S145 K146 | N141-D143 PolarHBondContact O-N 2.79Å; D143-S145 VanDerWaalsContact CG-OG 3.24Å; D143-S145 PolarHBondContact O-N 2.72Å; D143-S145 VanDerWaalsContact O-N 3.12Å; D143-S145 WeakPolarHBondContact OD1-CB 3.41Å; D143-S145 PolarHBondContact OD1-N 2.75Å; D143-S145 VanDerWaalsContact OD1-N 3.15Å; D143-S145 PolarHBondContact OD1-OG 3.06Å; D143-S145 PolarHBondContact OD2-OG 2.99Å; D143-K146 HydrophobicContact CB-CD 4.4Å; D143-K146 WeakPolarHBondContact O-CB 3.31Å; D143-K146 PolarHBondContact O-N 3.36Å; D143-K146 WeakPolarHBondContact OD2-CE 3.29Å; D143-K146 IonicContact OD2-NZ 2.72Å; D143-K146 PolarHBondContact OD2-NZ 3.04Å | ||
| 144 | Y | 86.4 | Confident | 91.3 | Very high | 131 Ų | 131 | 81.6 Ų | 81.6 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -61.4 | -18 | -178.5 | -76.7 | -83.7 | 0 | 0 | 0 | 113.9 | M142 K146 V147 | M142-Y144 HydrophobicContact CB-CE2 4.35Å; M142-Y144 WeakPolarHBondContact O-CD2 3.24Å; M142-Y144 PolarHBondContact O-N 2.93Å; M142-Y144 VanDerWaalsContact O-N 3.12Å; M142-Y144 HydrophobicContact SD-CE1 4.41Å; Y144-K146 PolarHBondContact O-N 2.71Å; Y144-V147 HydrophobicContact CD1-CG2 4.14Å; Y144-V147 PolarHBondContact O-N 2.8Å; Y144-V147 VanDerWaalsContact O-N 3.13Å |
| 145 | S | 87.2 | Confident | 91.5 | Very high | 102 Ų | 102 | 85.8 Ų | 85.8 | 71% | 0.713 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -66 | -19.5 | 173.1 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | D143 | D143-S145 VanDerWaalsContact CG-OG 3.24Å; D143-S145 PolarHBondContact O-N 2.72Å; D143-S145 VanDerWaalsContact O-N 3.12Å; D143-S145 WeakPolarHBondContact OD1-CB 3.41Å; D143-S145 PolarHBondContact OD1-N 2.75Å; D143-S145 VanDerWaalsContact OD1-N 3.15Å; D143-S145 PolarHBondContact OD1-OG 3.06Å; D143-S145 PolarHBondContact OD2-OG 2.99Å |
| 146 | K | 86.7 | Confident | 91.7 | Very high | 151 Ų | 151 | 84.3 Ų | 84.3 | 66% | 0.657 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -96.2 | 0.6 | 176.9 | -63.2 | -178 | 175.9 | 112.3 | 0 | 113.3 | D143 Y144 | D143-K146 HydrophobicContact CB-CD 4.4Å; D143-K146 WeakPolarHBondContact O-CB 3.31Å; D143-K146 PolarHBondContact O-N 3.36Å; D143-K146 WeakPolarHBondContact OD2-CE 3.29Å; D143-K146 IonicContact OD2-NZ 2.72Å; D143-K146 PolarHBondContact OD2-NZ 3.04Å; Y144-K146 PolarHBondContact O-N 2.71Å |
| 147 | V | 92.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 83.9 Ų | 83.9 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.2 | 178 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | V47 M142 Y144 A149 | V47-V147 HydrophobicContact CG2-CG1 4.02Å; V47-V147 HydrophobicContact CG2-CG2 4.3Å; M142-V147 HydrophobicContact CG-CG2 4.17Å; M142-V147 HydrophobicContact SD-CG2 3.61Å; Y144-V147 HydrophobicContact CD1-CG2 4.14Å; Y144-V147 PolarHBondContact O-N 2.8Å; Y144-V147 VanDerWaalsContact O-N 3.13Å; V147-A149 PolarHBondContact O-N 3.05Å; V147-A149 VanDerWaalsContact O-N 3.12Å |
| 148 | M | 93.7 | Very high | 91.9 | Very high | 27 Ų | 27 | 75.7 Ų | 75.7 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 97.5 | 164.6 | -179.7 | -173.6 | -61.4 | 0 | 0 | 108.2 | G31 L32 L66 N67 R73 | G31-M148 CarbonylContact C-O 3.54Å; G31-M148 WeakPolarHBondContact CA-O 3.49Å; L32-M148 HydrophobicContact CB-CB 4.41Å; L32-M148 PolarHBondContact N-O 3.48Å; L32-M148 WeakPolarHBondContact O-CB 3.18Å; L32-M148 PolarHBondContact O-N 3.07Å; L66-M148 HydrophobicContact CB-CE 4.37Å; L66-M148 HydrophobicContact CB-SD 3.92Å; N67-M148 VanDerWaalsContact OD1-CE 3.29Å; N67-M148 WeakPolarHBondContact OD1-CE 3.47Å; R73-M148 PolarHBondContact NH1-SD 2.77Å |
| 149 | A | 95.1 | Very high | 91.9 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 137.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V147 | V147-A149 PolarHBondContact O-N 3.05Å; V147-A149 VanDerWaalsContact O-N 3.12Å |
| 150 | F | 95.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 71.6 Ų | 71.6 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 132.5 | 170.2 | -64.3 | -31 | 0 | 0 | 0 | 109.7 | I29 T30 L32 F46 L66 H152 F154 | I29-F150 HydrophobicContact CG2-CD2 4.16Å; I29-F150 HydrophobicContact CG2-CE2 3.77Å; T30-F150 PolarHBondContact O-N 2.93Å; L32-F150 HydrophobicContact CB-CE1 3.88Å; L32-F150 HydrophobicContact CB-CZ 3.71Å; F46-F150 HydrophobicContact CD1-CE2 4.11Å; F46-F150 HydrophobicContact CD1-CZ 4.12Å; F46-F150 HydrophobicContact CE1-CE2 4.17Å; F46-F150 AromaticContact CE1-CZ 3.93Å; F46-F150 HydrophobicContact CE1-CZ 3.93Å; L66-F150 HydrophobicContact CD1-CE1 4.21Å; F150-H152 PolarHBondContact O-N 3.42Å; F150-F154 HydrophobicContact CD2-CD1 4.16Å; F150-F154 AromaticContact CD2-CE1 3.8Å; F150-F154 HydrophobicContact CD2-CE1 3.8Å; F150-F154 HydrophobicContact CE2-CD1 4.39Å; F150-F154 AromaticContact CE2-CE1 3.58Å; F150-F154 HydrophobicContact CE2-CE1 3.58Å; F150-F154 HydrophobicContact CE2-CZ 4.44Å |
| 151 | Y | 96.6 | Very high | 91.7 | Very high | 114 Ų | 114 | 68.7 Ų | 68.7 | 45% | 0.447 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -28.7 | 174.8 | -69.2 | -69.9 | 0 | 0 | 0 | 112.2 | R73 H74 | R73-Y151 HydrophobicContact CB-CD2 3.92Å; R73-Y151 HydrophobicContact CB-CE2 3.96Å; H74-Y151 HydrophobicContact CB-CD2 4.39Å; H74-Y151 HydrophobicContact CB-CG 4.49Å; H74-Y151 AromaticContact CD2-CD1 3.32Å; H74-Y151 WeakPolarHBondContact CD2-CD1 3.41Å; H74-Y151 AromaticContact CD2-CD2 3.89Å; H74-Y151 AromaticContact CD2-CE1 3.49Å; H74-Y151 VanDerWaalsContact CD2-CE1 3.49Å; H74-Y151 WeakPolarHBondContact CD2-CE1 3.41Å; H74-Y151 AromaticContact CD2-CE2 4Å; H74-Y151 AromaticContact CD2-CG 3.54Å; H74-Y151 AromaticContact CD2-CZ 3.8Å; H74-Y151 AromaticContact CE1-CE1 3.5Å; H74-Y151 VanDerWaalsContact CE1-CE1 3.5Å; H74-Y151 WeakPolarHBondContact CE1-CE1 3.4Å; H74-Y151 AromaticContact CE1-CE2 3.55Å; H74-Y151 AromaticContact CE1-CZ 3.14Å; H74-Y151 PolarHBondContact CE1-OH 3.44Å; H74-Y151 VanDerWaalsContact CE1-OH 3.24Å; H74-Y151 AromaticContact CG-CD2 3.8Å; H74-Y151 AromaticContact CG-CE2 3.89Å; H74-Y151 AromaticContact CG-CG 3.88Å; H74-Y151 AromaticContact ND1-CD2 3.99Å; H74-Y151 AromaticContact ND1-CE2 3.61Å; H74-Y151 AromaticContact ND1-CZ 3.72Å; H74-Y151 AromaticContact NE2-CD1 3.38Å; H74-Y151 WeakPolarHBondContact NE2-CD1 3.21Å; H74-Y151 AromaticContact NE2-CE1 2.98Å; H74-Y151 WeakPolarHBondContact NE2-CE1 3.06Å; H74-Y151 AromaticContact NE2-CE2 3.81Å; H74-Y151 AromaticContact NE2-CG 3.96Å; H74-Y151 AromaticContact NE2-CZ 3.2Å |
| 152 | H | 96.8 | Very high | 91.1 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 90.2 | 174.2 | -56.7 | -77 | 0 | 0 | 0 | 109.1 | H74 I76 Q77 F150 | H74-H152 PolarHBondContact O-CD2 2.77Å; H74-H152 PolarHBondContact O-NE2 3.3Å; I76-H152 PolarHBondContact O-CD2 3.16Å; I76-H152 VanDerWaalsContact O-CD2 3.28Å; Q77-H152 HydrophobicContact CG-CB 4.06Å; Q77-H152 VanDerWaalsContact CG-CD2 3.43Å; Q77-H152 WeakPolarHBondContact CG-CD2 3.27Å; F150-H152 PolarHBondContact O-N 3.42Å |
| 153 | P | 97.6 | Very high | 90.2 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 144.1 | 169.4 | -25.2 | 35.4 | 0 | 0 | 0 | 110.7 | T28 I29 | T28-P153 HydrophobicContact CG2-CB 4.03Å; I29-P153 CarbonylContact O-C 3.56Å; I29-P153 VanDerWaalsContact O-CA 3.22Å; I29-P153 WeakPolarHBondContact O-CA 3.25Å; I29-P153 WeakPolarHBondContact O-CB 3.32Å |
| 154 | F | 97.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.088 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151 | -175.1 | 66.3 | -93.8 | 0 | 0 | 0 | 111.9 | T28 I29 F46 V78 A82 I97 F150 | T28-F154 CarbonylContact C-O 3.58Å; T28-F154 WeakPolarHBondContact CA-O 3.29Å; I29-F154 HydrophobicContact CB-CD1 4.17Å; I29-F154 HydrophobicContact CB-CD2 4.22Å; I29-F154 HydrophobicContact CB-CE1 3.78Å; I29-F154 HydrophobicContact CB-CE2 3.81Å; I29-F154 HydrophobicContact CB-CG 4.39Å; I29-F154 HydrophobicContact CB-CZ 3.58Å; I29-F154 HydrophobicContact CG1-CD2 4.26Å; I29-F154 HydrophobicContact CG1-CE1 4.46Å; I29-F154 HydrophobicContact CG1-CE2 3.63Å; I29-F154 HydrophobicContact CG1-CZ 3.76Å; I29-F154 HydrophobicContact CG2-CE1 3.8Å; I29-F154 HydrophobicContact CG2-CE2 4.45Å; I29-F154 HydrophobicContact CG2-CZ 3.73Å; I29-F154 PolarHBondContact N-O 3.05Å; I29-F154 PolarHBondContact O-N 3.26Å; F46-F154 HydrophobicContact CE2-CZ 4.43Å; F46-F154 HydrophobicContact CZ-CZ 4.44Å; V78-F154 HydrophobicContact CB-CB 3.63Å; V78-F154 HydrophobicContact CB-CD1 4.36Å; V78-F154 HydrophobicContact CB-CD2 4.43Å; V78-F154 HydrophobicContact CB-CG 3.93Å; V78-F154 HydrophobicContact CG1-CB 4Å; V78-F154 HydrophobicContact CG1-CD2 4.26Å; V78-F154 HydrophobicContact CG1-CG 4.22Å; V78-F154 HydrophobicContact CG2-CB 3.76Å; V78-F154 HydrophobicContact CG2-CD1 3.51Å; V78-F154 HydrophobicContact CG2-CD2 3.98Å; V78-F154 HydrophobicContact CG2-CE1 4Å; V78-F154 HydrophobicContact CG2-CE2 4.44Å; V78-F154 HydrophobicContact CG2-CG 3.49Å; V78-F154 VanDerWaalsContact CG2-CG 3.49Å; V78-F154 HydrophobicContact CG2-CZ 4.45Å; A82-F154 HydrophobicContact CB-CD2 3.93Å; A82-F154 HydrophobicContact CB-CE2 3.76Å; I97-F154 HydrophobicContact CD1-CE2 4.33Å; I97-F154 HydrophobicContact CD1-CZ 4.23Å; F150-F154 HydrophobicContact CD2-CD1 4.16Å; F150-F154 AromaticContact CD2-CE1 3.8Å; F150-F154 HydrophobicContact CD2-CE1 3.8Å; F150-F154 HydrophobicContact CE2-CD1 4.39Å; F150-F154 AromaticContact CE2-CE1 3.58Å; F150-F154 HydrophobicContact CE2-CE1 3.58Å; F150-F154 HydrophobicContact CE2-CZ 4.44Å |
| 155 | K | 97.9 | Very high | 87.4 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.1 | 176.8 | -69.7 | 178.4 | -179.3 | 174.9 | 0 | 110.7 | D27 D81 A82 | D27-K155 WeakPolarHBondContact O-CA 3.34Å; D81-K155 CarbonylContact C-O 3.51Å; D81-K155 WeakPolarHBondContact CA-O 3.36Å; D81-K155 HydrophobicContact CB-CB 4.49Å; D81-K155 WeakPolarHBondContact OD1-CB 3.26Å; A82-K155 PolarHBondContact N-O 3.24Å |
| 156 | V | 97.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.2 | 166.6 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | S26 D27 I29 A82 F84 F158 | S26-V156 CarbonylContact C-O 3.58Å; S26-V156 WeakPolarHBondContact CA-O 3.29Å; S26-V156 WeakPolarHBondContact CB-O 3.34Å; D27-V156 HydrophobicContact CB-CG1 4.01Å; D27-V156 PolarHBondContact N-O 3.3Å; D27-V156 WeakPolarHBondContact O-CG1 3.38Å; D27-V156 PolarHBondContact O-N 3.19Å; I29-V156 HydrophobicContact CD1-CG1 3.87Å; I29-V156 HydrophobicContact CG1-CB 4.44Å; I29-V156 HydrophobicContact CG1-CG1 3.98Å; A82-V156 HydrophobicContact CB-CB 4.14Å; A82-V156 HydrophobicContact CB-CG2 4.24Å; A82-V156 CarbonylContact O-C 3.54Å; A82-V156 WeakPolarHBondContact O-CA 3.17Å; F84-V156 HydrophobicContact CB-CG2 3.94Å; F84-V156 HydrophobicContact CD1-CG2 3.85Å; F84-V156 HydrophobicContact CD2-CG2 3.54Å; F84-V156 HydrophobicContact CE1-CG2 4.2Å; F84-V156 HydrophobicContact CE2-CG2 3.9Å; F84-V156 HydrophobicContact CG-CG2 3.5Å; F84-V156 VanDerWaalsContact CG-CG2 3.5Å; F84-V156 HydrophobicContact CZ-CG2 4.21Å; V156-F158 HydrophobicContact CB-CE2 4.34Å; V156-F158 HydrophobicContact CB-CZ 4.47Å; V156-F158 HydrophobicContact CG1-CE2 3.58Å; V156-F158 HydrophobicContact CG1-CZ 3.78Å; V156-F158 HydrophobicContact CG2-CD2 4.45Å; V156-F158 HydrophobicContact CG2-CE1 4.31Å; V156-F158 HydrophobicContact CG2-CE2 3.95Å; V156-F158 HydrophobicContact CG2-CZ 3.83Å |
| 157 | R | 95.3 | Very high | 83.4 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.6 | 171.9 | -68.7 | -177.6 | -172.3 | -101.2 | -5.2 | 109.7 | Q23 D81 A82 F84 Y159 | Q23-R157 HydrophobicContact CG-CB 4.44Å; D81-R157 HydrophobicContact CB-CG 4.16Å; D81-R157 IonicContact OD2-CZ 3.02Å; D81-R157 IonicContact OD2-NE 3.14Å; D81-R157 PolarHBondContact OD2-NE 2.99Å; D81-R157 IonicContact OD2-NH2 2.93Å; D81-R157 PolarHBondContact OD2-NH2 2.92Å; A82-R157 PolarHBondContact O-N 3.22Å; F84-R157 PolarHBondContact N-O 3.43Å; R157-Y159 HydrophobicContact CB-CE2 3.71Å |
| 158 | F | 93 | Very high | 81 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.5 | 178.3 | -64.1 | -89.6 | 0 | 0 | 0 | 110.5 | Q23 S24 Q25 D27 Y53 F84 L86 I135 V156 | Q23-F158 CarbonylContact C-O 3.28Å; Q23-F158 VanDerWaalsContact CA-O 3.31Å; Q23-F158 WeakPolarHBondContact CA-O 3.15Å; S24-F158 PolarHBondContact N-O 2.98Å; Q25-F158 HydrophobicContact CG-CB 3.53Å; Q25-F158 HydrophobicContact CG-CD2 3.6Å; Q25-F158 HydrophobicContact CG-CG 3.75Å; Q25-F158 PolarHBondContact O-N 2.9Å; D27-F158 HydrophobicContact CB-CE2 4.22Å; Y53-F158 HydrophobicContact CD1-CE1 4.36Å; Y53-F158 HydrophobicContact CD1-CZ 4.08Å; Y53-F158 AromaticContact CE1-CE1 3.76Å; Y53-F158 HydrophobicContact CE1-CE1 3.76Å; Y53-F158 HydrophobicContact CE1-CE2 4.2Å; Y53-F158 AromaticContact CE1-CZ 3.23Å; Y53-F158 HydrophobicContact CE1-CZ 3.23Å; Y53-F158 HydrophobicContact CE2-CZ 4.49Å; Y53-F158 AromaticContact CZ-CZ 3.47Å; Y53-F158 VanDerWaalsContact CZ-CZ 3.47Å; Y53-F158 WeakPolarHBondContact OH-CE2 3.31Å; Y53-F158 VanDerWaalsContact OH-CZ 3.32Å; Y53-F158 WeakPolarHBondContact OH-CZ 3.24Å; F84-F158 HydrophobicContact CB-CD1 3.8Å; F84-F158 HydrophobicContact CB-CE1 3.86Å; F84-F158 AromaticContact CD2-CE1 3.75Å; F84-F158 HydrophobicContact CD2-CE1 3.75Å; F84-F158 HydrophobicContact CD2-CZ 4.16Å; F84-F158 HydrophobicContact CG-CE1 4.29Å; F84-F158 CarbonylContact O-C 3.57Å; F84-F158 VanDerWaalsContact O-CA 3.24Å; F84-F158 WeakPolarHBondContact O-CA 3.33Å; L86-F158 HydrophobicContact CD1-CB 4.42Å; L86-F158 HydrophobicContact CD2-CD1 3.64Å; L86-F158 HydrophobicContact CD2-CE1 4.35Å; L86-F158 HydrophobicContact CG-CB 4.39Å; L86-F158 HydrophobicContact CG-CD1 4.3Å; I135-F158 HydrophobicContact CD1-CD1 4.32Å; I135-F158 HydrophobicContact CD1-CE1 3.99Å; V156-F158 HydrophobicContact CB-CE2 4.34Å; V156-F158 HydrophobicContact CB-CZ 4.47Å; V156-F158 HydrophobicContact CG1-CE2 3.58Å; V156-F158 HydrophobicContact CG1-CZ 3.78Å; V156-F158 HydrophobicContact CG2-CD2 4.45Å; V156-F158 HydrophobicContact CG2-CE1 4.31Å; V156-F158 HydrophobicContact CG2-CE2 3.95Å; V156-F158 HydrophobicContact CG2-CZ 3.83Å |
| 159 | Y | 90.9 | Very high | 78.4 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137 | 179.9 | -67 | -91.3 | 0 | 0 | 0 | 110.4 | K21 Y22 Q23 R83 F84 V85 L86 R157 | K21-Y159 HydrophobicContact CB-CD1 4.35Å; Y22-Y159 VanDerWaalsContact O-CA 3.26Å; Y22-Y159 WeakPolarHBondContact O-CA 3.5Å; Q23-Y159 HydrophobicContact CB-CD1 4.3Å; Q23-Y159 HydrophobicContact CB-CE1 3.98Å; R83-Y159 HydrophobicContact CB-CE2 4.21Å; R83-Y159 HydrophobicContact CG-CE2 4.15Å; F84-Y159 PolarHBondContact O-N 3.01Å; V85-Y159 CarbonylContact C-O 3.56Å; V85-Y159 WeakPolarHBondContact CA-O 3.46Å; L86-Y159 PolarHBondContact N-O 2.92Å; R157-Y159 HydrophobicContact CB-CE2 3.71Å |
| 160 | E | 87 | Confident | 76.1 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 147.6 | 173.2 | -74.2 | 178.5 | -153.2 | 0 | 0 | 110.2 | K21 Y22 S24 L86 K90 | K21-E160 VanDerWaalsContact CA-O 3.25Å; K21-E160 WeakPolarHBondContact CA-O 3.41Å; Y22-E160 HydrophobicContact CD1-CB 4.17Å; Y22-E160 VanDerWaalsContact CD1-O 3.32Å; Y22-E160 WeakPolarHBondContact CD1-O 3.37Å; Y22-E160 HydrophobicContact CE1-CB 3.44Å; Y22-E160 VanDerWaalsContact CE1-CB 3.44Å; Y22-E160 PolarHBondContact N-O 3.37Å; Y22-E160 PolarHBondContact O-N 3.46Å; Y22-E160 PolarHBondContact OH-OE2 3.07Å; S24-E160 WeakPolarHBondContact CB-OE1 3.44Å; S24-E160 PolarHBondContact OG-OE1 3.29Å; L86-E160 HydrophobicContact CB-CG 4.05Å; L86-E160 HydrophobicContact CD1-CG 3.79Å; L86-E160 HydrophobicContact CG-CG 4.26Å; K90-E160 WeakPolarHBondContact CD-OE1 3.12Å; K90-E160 VanDerWaalsContact CE-CD 3.4Å; K90-E160 VanDerWaalsContact CE-OE1 3.27Å; K90-E160 WeakPolarHBondContact CE-OE1 2.91Å; K90-E160 WeakPolarHBondContact CE-OE2 3.36Å; K90-E160 IonicContact NZ-OE1 3.76Å; K90-E160 PolarHBondContact NZ-OE1 2.99Å; K90-E160 IonicContact NZ-OE2 2.65Å; K90-E160 PolarHBondContact NZ-OE2 3.27Å |
| 161 | Y | 81.4 | Confident | 73.6 | Confident | 129 Ų | 129 | 75.4 Ų | 75.4 | 51% | 0.506 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.7 | 169.2 | -67.4 | -81.2 | 0 | 0 | 0 | 110.1 | G20 K21 V85 | G20-Y161 WeakPolarHBondContact O-CA 3.28Å; K21-Y161 HydrophobicContact CD-CE1 4.18Å; K21-Y161 WeakPolarHBondContact CE-OH 3.42Å; K21-Y161 HydrophobicContact CG-CD1 3.93Å; K21-Y161 HydrophobicContact CG-CE1 3.94Å; K21-Y161 PolarHBondContact NZ-OH 2.9Å; V85-Y161 HydrophobicContact CG1-CD2 4.17Å; V85-Y161 HydrophobicContact CG1-CE2 3.45Å; V85-Y161 VanDerWaalsContact CG1-CE2 3.45Å |
| 162 | Y | 74 | Confident | 70.9 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 7% | 0.071 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140 | 160.9 | 67.1 | -91.3 | 0 | 0 | 0 | 108.7 | V11 A15 S18 S19 G20 Y22 | V11-Y162 HydrophobicContact CG1-CD1 3.43Å; V11-Y162 VanDerWaalsContact CG1-CD1 3.43Å; V11-Y162 HydrophobicContact CG1-CD2 4Å; V11-Y162 HydrophobicContact CG1-CE1 3.41Å; V11-Y162 VanDerWaalsContact CG1-CE1 3.41Å; V11-Y162 HydrophobicContact CG1-CE2 4.03Å; V11-Y162 HydrophobicContact CG1-CG 3.71Å; A15-Y162 HydrophobicContact CB-CD2 3.93Å; A15-Y162 HydrophobicContact CB-CE2 3.35Å; S18-Y162 VanDerWaalsContact O-CE2 3.27Å; S18-Y162 WeakPolarHBondContact O-CE2 3.32Å; S19-Y162 WeakPolarHBondContact CA-O 3.23Å; S19-Y162 WeakPolarHBondContact CB-O 3.5Å; G20-Y162 VanDerWaalsContact C-CD1 3.46Å; G20-Y162 VanDerWaalsContact CA-CE1 3.42Å; G20-Y162 VanDerWaalsContact CA-CZ 3.47Å; G20-Y162 PolarHBondContact N-O 2.87Å; G20-Y162 WeakPolarHBondContact O-CD1 3.27Å; G20-Y162 PolarHBondContact O-N 3.34Å; Y22-Y162 HydrophobicContact CD1-CD1 4.01Å |
| 163 | S | 65.1 | Low | 68.5 | Low | 73 Ų | 73 | 74.7 Ų | 74.7 | 51% | 0.51 | 43% | 0.431 | S | S | . | . | trans | -114 | 137.3 | 163.8 | -60 | 0 | 0 | 0 | 0 | 106.6 | R165 | S163-R165 PolarHBondContact O-N 3.01Å; S163-R165 VanDerWaalsContact O-N 3.09Å | ||
| 164 | P | 60.1 | Low | 66 | Low | 43 Ų | 43 | 75 Ų | 75 | 28% | 0.279 | 44% | 0.44 | S | S | . | . | trans | -56.9 | 122.6 | 172 | 20.8 | -27.8 | 0 | 0 | 0 | 108 | G166 | P164-G166 PolarHBondContact O-N 3.18Š| ||
| 165 | R | 53.2 | Low | 63.3 | Low | 179 Ų | 179 | 81.6 Ų | 81.6 | 68% | 0.675 | 48% | 0.476 | S | S | * | . | trans | -70.1 | 111.1 | 153.4 | -68.5 | -176.1 | -143.3 | -130.6 | 1.1 | 102.9 | S163 I167 | S163-R165 PolarHBondContact O-N 3.01Å; S163-R165 VanDerWaalsContact O-N 3.09Å; R165-I167 PolarHBondContact O-N 3.4Å | ||
| 166 | G | 45.4 | Very low | 60.5 | Low | 62 Ų | 62 | 81.3 Ų | 81.3 | 64% | 0.639 | 48% | 0.479 | S | S | * | . | trans | -45 | 133.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P164 P168 | P164-G166 PolarHBondContact O-N 3.18Å; G166-P168 VanDerWaalsContact O-CD 3.29Å; G166-P168 WeakPolarHBondContact O-CD 3.18Å; G166-P168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | I | 45.3 | Very low | 57.7 | Low | 103 Ų | 103 | 86.3 Ų | 86.3 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | trans | -52.3 | 120.2 | 168.5 | -59.4 | 173.9 | 0 | 0 | 0 | 104.9 | R165 D169 V171 | R165-I167 PolarHBondContact O-N 3.4Å; I167-D169 PolarHBondContact O-N 2.89Å; I167-V171 HydrophobicContact CG2-CB 4.1Å; I167-V171 WeakPolarHBondContact CG2-O 3.29Å | ||
| 168 | P | 41.2 | Very low | 55 | Low | 90 Ų | 90 | 88.2 Ų | 88.2 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | trans | -56.7 | 126.9 | 169.9 | -17.7 | 29.4 | 0 | 0 | 0 | 106.7 | G166 G170 V171 | G166-P168 VanDerWaalsContact O-CD 3.29Å; G166-P168 WeakPolarHBondContact O-CD 3.18Å; G166-P168 VanDerWaalsContact O-N 3.09Å; P168-G170 PolarHBondContact O-N 3.07Å; P168-V171 HydrophobicContact CB-CG2 4.48Å; P168-V171 HydrophobicContact CG-CG2 4.38Å; P168-V171 PolarHBondContact O-N 3.24Å; P168-V171 VanDerWaalsContact O-N 3.08Å | ||
| 169 | D | 40.8 | Very low | 52.4 | Low | 176 Ų | 176 | 94 Ų | 94 | 94% | 0.941 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.9 | 110.6 | 177.1 | -73.7 | -31.5 | 0 | 0 | 0 | 108.7 | I167 | I167-D169 PolarHBondContact O-N 2.89Š|
| 170 | G | 45.8 | Very low | 50 | Low | 80 Ų | 80 | 95.6 Ų | 95.6 | 83% | 0.825 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.9 | -14.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117 | P168 S172 | P168-G170 PolarHBondContact O-N 3.07Å; G170-S172 PolarHBondContact O-N 2.91Å |
| 171 | V | 42.6 | Very low | 47.6 | Very low | 97 Ų | 97 | 100.6 Ų | 100.6 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | trans | -88 | 94.7 | 171.2 | -169.9 | 0 | 0 | 0 | 0 | 109 | I167 P168 | I167-V171 HydrophobicContact CG2-CB 4.1Å; I167-V171 WeakPolarHBondContact CG2-O 3.29Å; P168-V171 HydrophobicContact CB-CG2 4.48Å; P168-V171 HydrophobicContact CG-CG2 4.38Å; P168-V171 PolarHBondContact O-N 3.24Å; P168-V171 VanDerWaalsContact O-N 3.08Å | ||
| 172 | S | 41.1 | Very low | 45.5 | Very low | 96 Ų | 96 | 100.7 Ų | 100.7 | 67% | 0.671 | 62% | 0.621 | S | S | * | * | trans | -58.9 | 139.8 | -179.7 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | G170 A174 | G170-S172 PolarHBondContact O-N 2.91Å; S172-A174 PolarHBondContact O-N 3.21Å | ||
| 173 | A | 45.6 | Very low | 43.8 | Very low | 77 Ų | 77 | 107.7 Ų | 107.7 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -67.6 | 30.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L175 | A173-L175 PolarHBondContact O-N 3.09Š|
| 174 | A | 44.5 | Very low | 42.3 | Very low | 81 Ų | 81 | 110.8 Ų | 110.8 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | trans | -73 | -8.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S172 | S172-A174 PolarHBondContact O-N 3.21Š| ||
| 175 | L | 43 | Very low | 41.2 | Very low | 159 Ų | 159 | 116.7 Ų | 116.7 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -121.4 | 68.4 | 179.6 | -68.6 | 167.8 | 0 | 0 | 0 | 111 | A173 | A173-L175 PolarHBondContact O-N 3.09Š| ||
| 176 | L | 38.8 | Very low | 40.4 | Very low | 109 Ų | 109 | 113.5 Ų | 113.5 | 57% | 0.571 | 70% | 0.698 | S | S | * | * | trans | -128.9 | 87.6 | 163.3 | -80.2 | 168.4 | 0 | 0 | 0 | 110.6 | T14 | T14-L176 HydrophobicContact CG2-CD2 4.07Š| ||
| 177 | P | 37.3 | Very low | 39.8 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 69% | 0.688 | 70% | 0.704 | S | S | * | * | trans | -87.1 | 131.5 | 154.9 | 8.8 | 10.6 | 0 | 0 | 0 | 110.1 | ||||
| 178 | V | 39.4 | Very low | 39.7 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 81.4 | 107.8 | 160.2 | -161.5 | 0 | 0 | 0 | 0 | 117.4 | V180 | V178-V180 PolarHBondContact O-N 2.75Š|
| 179 | T | 38.3 | Very low | 39.2 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -31.2 | 112 | 158.7 | 45.5 | 0 | 0 | 0 | 0 | 114 | T181 | T179-T181 PolarHBondContact O-N 3.24Š| ||
| 180 | V | 40.9 | Very low | 38.9 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 42% | 0.424 | 72% | 0.718 | S | S | . | * | trans | -84.1 | 99.5 | 159.4 | -178.3 | 0 | 0 | 0 | 0 | 106.6 | L10 V178 L182 | L10-V180 HydrophobicContact CD2-CG2 3.74Å; V178-V180 PolarHBondContact O-N 2.75Å; V180-L182 PolarHBondContact O-N 2.79Å; V180-L182 VanDerWaalsContact O-N 3.16Å | ||
| 181 | T | 35.8 | Very low | 38.5 | Very low | 122 Ų | 122 | 125 Ų | 125 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -67.7 | 107.7 | 167.3 | 47.3 | 0 | 0 | 0 | 0 | 107.7 | T179 D183 | T179-T181 PolarHBondContact O-N 3.24Å; T181-D183 PolarHBondContact O-N 3.45Å | ||
| 182 | L | 37.3 | Very low | 38 | Very low | 131 Ų | 131 | 127 Ų | 127 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | trans | -52 | 137.4 | 161.8 | -106 | 82.1 | 0 | 0 | 0 | 107.8 | V180 I184 | V180-L182 PolarHBondContact O-N 2.79Å; V180-L182 VanDerWaalsContact O-N 3.16Å; L182-I184 PolarHBondContact O-N 3.08Å | ||
| 183 | D | 38.1 | Very low | 37.5 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | trans | -55.9 | 85.8 | 171.6 | -85.2 | -37.1 | 0 | 0 | 0 | 110.5 | T181 | T181-D183 PolarHBondContact O-N 3.45Š| ||
| 184 | I | 34.8 | Very low | 36.7 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -87.8 | 112.2 | 153.4 | -62.8 | 175.6 | 0 | 0 | 0 | 103.6 | L182 T186 | L182-I184 PolarHBondContact O-N 3.08Å; I184-T186 VanDerWaalsContact C-N 3.29Å; I184-T186 PolarHBondContact O-N 2.87Å | ||
| 185 | I | 37.2 | Very low | 36.2 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -59.9 | 88.2 | -179.3 | -53.8 | 166.8 | 0 | 0 | 0 | 108.5 | ||
| 186 | T | 36.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | trans | -176.6 | 90.3 | 169.8 | 36.2 | 0 | 0 | 0 | 0 | 108.1 | I184 | I184-T186 VanDerWaalsContact C-N 3.29Å; I184-T186 PolarHBondContact O-N 2.87Å | ||
| 187 | A | 32.4 | Very low | 35.3 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 99 | 149.3 | 90.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 188 | P | 43.2 | Very low | 35 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -104.1 | 173.6 | -146.4 | 36.1 | -27.6 | 0 | 0 | 0 | 116 | ||||
| 189 | L | 30.4 | Very low | 34.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 70.9 | 119 | 179.2 | -60.6 | 111.7 | 0 | 0 | 0 | 111.7 | ||||
| 190 | Q | 34 | Very low | 34.6 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | -154 | 110.9 | 63.4 | -37 | -171.2 | -4.1 | 0 | 0 | 110.3 | L192 | Q190-L192 PolarHBondContact O-N 3.18Š| |||
| 191 | F | 37.6 | Very low | 34.3 | Very low | 220 Ų | 220 | 149.2 Ų | 149.2 | 97% | 0.965 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 95.1 | 153.6 | -97.3 | -89.5 | 0 | 0 | 0 | 107.8 | ||||
| 192 | L | 31 | Very low | 34.2 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -159.4 | 126.5 | 167.8 | -79.3 | -178.8 | 0 | 0 | 0 | 105.6 | Q190 | Q190-L192 PolarHBondContact O-N 3.18Š| ||
| 193 | V | 30.7 | Very low | 34 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | cis | -163.8 | 117.8 | 13.6 | 146.6 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 194 | V | 29.8 | Very low | 33.8 | Very low | 120 Ų | 120 | 151 Ų | 151 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | 75.9 | 118.1 | 111.7 | -177.9 | 0 | 0 | 0 | 0 | 116.2 | A196 | V194-A196 PolarHBondContact O-N 3.28Å; V194-A196 VanDerWaalsContact O-N 3.14Å | |||
| 195 | Y | 33.7 | Very low | 33.7 | Very low | 237 Ų | 237 | 151.9 Ų | 151.9 | 93% | 0.929 | 82% | 0.818 | S | S | * | * | trans | -37.7 | 103.9 | 147.8 | -78.3 | -100.2 | 0 | 0 | 0 | 113.1 | ||||
| 196 | A | 28.6 | Very low | 33.5 | Very low | 83 Ų | 83 | 150.8 Ų | 150.8 | 69% | 0.686 | 82% | 0.815 | S | S | * | * | trans | -152.6 | 117.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 103.7 | V194 | V194-A196 PolarHBondContact O-N 3.28Å; V194-A196 VanDerWaalsContact O-N 3.14Å | ||
| 197 | V | 34.6 | Very low | 33.2 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 78% | 0.782 | 83% | 0.825 | S | S | * | * | -148.3 | 111.5 | 67 | -166.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 198 | N | 30 | Very low | 33.3 | Very low | 170 Ų | 170 | 158.6 Ų | 158.6 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -96 | 97.6 | 148.8 | -103.4 | -20.3 | 0 | 0 | 0 | 105.2 | ||||
| 199 | Q | 36 | Very low | 32.4 | Very low | 254 Ų | 254 | 162.9 Ų | 162.9 | 100% | 1.187 | 84% | 0.838 | S | S | * | * | trans | -158.3 | 0 | 147 | -74.4 | -151.8 | -61.7 | 0 | 0 | 107.8 |
Retrieved 199 of 199 residues in 53.3 ms
(Link to these results)