| 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 | 89.6 | Confident | 95 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | 0 | -54.1 | 0 | -157.6 | 162.9 | -74.1 | 0 | 0 | 112.2 | A3 Y4 A5 Y22 E81 A112 F113 | M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.17Å; M1-Y4 WeakPolarHBondContact O-CA 3.49Å; M1-Y4 WeakPolarHBondContact O-CB 3.42Å; M1-Y4 PolarHBondContact O-N 2.97Å; M1-A5 PolarHBondContact O-N 3.41Å; M1-Y22 HydrophobicContact CE-CD1 3.82Å; M1-Y22 HydrophobicContact CE-CE1 3.91Å; M1-Y22 HydrophobicContact CE-CG 4.38Å; M1-E81 HydrophobicContact CE-CB 4.11Å; M1-E81 HydrophobicContact SD-CB 4.34Å; M1-E81 VanDerWaalsContact SD-O 3.38Å; M1-A112 HydrophobicContact CG-CB 3.52Å; M1-A112 WeakPolarHBondContact CG-O 3.37Å; M1-A112 HydrophobicContact SD-CB 4.44Å; M1-F113 VanDerWaalsContact SD-C 3.56Å; M1-F113 VanDerWaalsContact SD-CA 3.59Å | |||
| 2 | A | 92.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 52.2 Ų | 52.2 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.6 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y4 A5 Q6 | A2-Y4 VanDerWaalsContact C-N 3.28Å; A2-Y4 PolarHBondContact O-N 3.41Å; A2-A5 WeakPolarHBondContact O-CB 3.41Å; A2-A5 PolarHBondContact O-N 3.37Å; A2-A5 VanDerWaalsContact O-N 3.14Å; A2-Q6 PolarHBondContact O-N 3.46Å |
| 3 | A | 95.5 | Very high | 94.5 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.1 | -36.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 Q6 E7 | M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.17Å; A3-Q6 PolarHBondContact O-N 2.8Å; A3-E7 PolarHBondContact O-N 3.31Å; A3-E7 VanDerWaalsContact O-N 3.08Å |
| 4 | Y | 96.1 | Very high | 93.9 | Very high | 32 Ų | 32 | 48 Ų | 48 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 174.7 | -179.9 | -104.7 | 0 | 0 | 0 | 111.5 | M1 A2 Q6 E7 V8 S20 K21 Y22 V24 A112 | M1-Y4 WeakPolarHBondContact O-CA 3.49Å; M1-Y4 WeakPolarHBondContact O-CB 3.42Å; M1-Y4 PolarHBondContact O-N 2.97Å; A2-Y4 VanDerWaalsContact C-N 3.28Å; A2-Y4 PolarHBondContact O-N 3.41Å; Y4-Q6 PolarHBondContact O-N 3.08Å; Y4-E7 WeakPolarHBondContact O-CB 3.22Å; Y4-E7 PolarHBondContact O-N 3.44Å; Y4-V8 HydrophobicContact CD1-CG2 4.22Å; Y4-V8 HydrophobicContact CE1-CG2 3.75Å; Y4-V8 HydrophobicContact CE2-CG2 4.21Å; Y4-V8 WeakPolarHBondContact O-CG2 3.34Å; Y4-V8 PolarHBondContact O-N 3.14Å; Y4-S20 WeakPolarHBondContact CE1-OG 3.27Å; Y4-S20 WeakPolarHBondContact OH-CA 2.97Å; Y4-S20 PolarHBondContact OH-OG 3.38Å; Y4-K21 HydrophobicContact CD2-CB 4.44Å; Y4-K21 HydrophobicContact CE2-CB 3.95Å; Y4-K21 PolarHBondContact OH-N 2.03Å; Y4-Y22 AromaticContact CD1-CD2 3.63Å; Y4-Y22 HydrophobicContact CD1-CD2 3.63Å; Y4-Y22 HydrophobicContact CD1-CG 4.3Å; Y4-Y22 HydrophobicContact CE1-CD2 4.29Å; Y4-Y22 AromaticContact CG-CD2 3.8Å; Y4-Y22 HydrophobicContact CG-CD2 3.8Å; Y4-Y22 HydrophobicContact CG-CE2 4.46Å; Y4-V24 HydrophobicContact CE1-CG1 4.07Å; Y4-A112 HydrophobicContact CD1-CB 4.06Å |
| 5 | A | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -37.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1 A2 V8 A9 G83 A85 V110 A112 | M1-A5 PolarHBondContact O-N 3.41Å; A2-A5 WeakPolarHBondContact O-CB 3.41Å; A2-A5 PolarHBondContact O-N 3.37Å; A2-A5 VanDerWaalsContact O-N 3.14Å; A5-V8 PolarHBondContact O-N 3.01Å; A5-A9 VanDerWaalsContact O-CB 3.29Å; A5-A9 WeakPolarHBondContact O-CB 3.25Å; A5-A9 PolarHBondContact O-N 3.28Å; A5-G83 WeakPolarHBondContact CB-O 3.38Å; A5-A85 VanDerWaalsContact C-CB 3.5Å; A5-A85 HydrophobicContact CB-CB 3.82Å; A5-V110 HydrophobicContact CB-CB 4.33Å; A5-V110 HydrophobicContact CB-CG1 4.08Å; A5-A112 HydrophobicContact CB-CB 4.14Å |
| 6 | Q | 97.3 | Very high | 92.9 | Very high | 71 Ų | 71 | 50.9 Ų | 50.9 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 175.6 | -170.3 | 68 | 61.1 | 0 | 0 | 111.8 | A2 A3 Y4 V8 A9 N10 A85 L86 | A2-Q6 PolarHBondContact O-N 3.46Å; A3-Q6 PolarHBondContact O-N 2.8Å; Y4-Q6 PolarHBondContact O-N 3.08Å; Q6-V8 VanDerWaalsContact C-N 3.33Å; Q6-V8 PolarHBondContact O-N 3.27Å; Q6-A9 PolarHBondContact O-N 3.38Å; Q6-N10 PolarHBondContact NE2-OD1 3.19Å; Q6-N10 WeakPolarHBondContact O-CB 3.43Å; Q6-N10 PolarHBondContact O-N 3.26Å; Q6-N10 PolarHBondContact O-ND2 3.46Å; Q6-N10 PolarHBondContact O-OD1 3.34Å; Q6-A85 VanDerWaalsContact CA-CB 3.41Å; Q6-A85 HydrophobicContact CB-CB 3.8Å; Q6-L86 PolarHBondContact NE2-O 3.49Å; Q6-L86 PolarHBondContact OE1-O 3.47Å |
| 7 | E | 96 | Very high | 92.5 | Very high | 116 Ų | 116 | 50.6 Ų | 50.6 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 174.1 | -174.9 | -171.7 | 160.4 | 0 | 0 | 111.4 | A3 Y4 N10 N11 | A3-E7 PolarHBondContact O-N 3.31Å; A3-E7 VanDerWaalsContact O-N 3.08Å; Y4-E7 WeakPolarHBondContact O-CB 3.22Å; Y4-E7 PolarHBondContact O-N 3.44Å; E7-N10 PolarHBondContact O-N 2.53Å; E7-N11 PolarHBondContact O-N 3.04Å |
| 8 | V | 95.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | Y4 A5 Q6 N10 N11 P17 I26 V110 | Y4-V8 HydrophobicContact CD1-CG2 4.22Å; Y4-V8 HydrophobicContact CE1-CG2 3.75Å; Y4-V8 HydrophobicContact CE2-CG2 4.21Å; Y4-V8 WeakPolarHBondContact O-CG2 3.34Å; Y4-V8 PolarHBondContact O-N 3.14Å; A5-V8 PolarHBondContact O-N 3.01Å; Q6-V8 VanDerWaalsContact C-N 3.33Å; Q6-V8 PolarHBondContact O-N 3.27Å; V8-N10 VanDerWaalsContact C-N 3.31Å; V8-N10 PolarHBondContact O-N 2.86Å; V8-N11 WeakPolarHBondContact O-CB 3.44Å; V8-N11 PolarHBondContact O-N 2.83Å; V8-P17 HydrophobicContact CG1-CG 4.08Å; V8-P17 HydrophobicContact CG2-CG 4.2Å; V8-I26 HydrophobicContact CG1-CD1 4.13Å; V8-V110 HydrophobicContact CB-CG1 4.07Å; V8-V110 HydrophobicContact CG1-CG1 3.92Å; V8-V110 HydrophobicContact CG1-CG2 4.15Å |
| 9 | A | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A5 Q6 N11 C12 S87 V110 | A5-A9 VanDerWaalsContact O-CB 3.29Å; A5-A9 WeakPolarHBondContact O-CB 3.25Å; A5-A9 PolarHBondContact O-N 3.28Å; Q6-A9 PolarHBondContact O-N 3.38Å; A9-N11 PolarHBondContact O-N 3.44Å; A9-C12 PolarHBondContact O-N 3.16Å; A9-S87 VanDerWaalsContact O-CB 3.27Å; A9-S87 WeakPolarHBondContact O-CB 3.42Å; A9-V110 HydrophobicContact CB-CB 4.21Å; A9-V110 HydrophobicContact CB-CG2 3.7Å |
| 10 | N | 96 | Very high | 90.9 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -18.8 | 178.3 | -69.2 | -7.3 | 0 | 0 | 0 | 113.1 | Q6 E7 V8 C12 S87 | Q6-N10 PolarHBondContact NE2-OD1 3.19Å; Q6-N10 WeakPolarHBondContact O-CB 3.43Å; Q6-N10 PolarHBondContact O-N 3.26Å; Q6-N10 PolarHBondContact O-ND2 3.46Å; Q6-N10 PolarHBondContact O-OD1 3.34Å; E7-N10 PolarHBondContact O-N 2.53Å; V8-N10 VanDerWaalsContact C-N 3.31Å; V8-N10 PolarHBondContact O-N 2.86Å; N10-C12 PolarHBondContact O-N 2.99Å; N10-S87 PolarHBondContact OD1-OG 3.21Å |
| 11 | N | 94 | Very high | 90.8 | Very high | 103 Ų | 103 | 65.8 Ų | 65.8 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.4 | 173.4 | -66 | -26.8 | 0 | 0 | 0 | 113 | E7 V8 A9 S13 | E7-N11 PolarHBondContact O-N 3.04Å; V8-N11 WeakPolarHBondContact O-CB 3.44Å; V8-N11 PolarHBondContact O-N 2.83Å; A9-N11 PolarHBondContact O-N 3.44Å; N11-S13 PolarHBondContact O-N 3.49Å; N11-S13 VanDerWaalsContact O-N 3.1Å |
| 12 | C | 92.6 | Very high | 91 | Very high | 23 Ų | 23 | 66.7 Ų | 66.7 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37.2 | 176.8 | -67.7 | 0 | 0 | 0 | 0 | 113.6 | A9 N10 C89 I92 L93 | A9-C12 PolarHBondContact O-N 3.16Å; N10-C12 PolarHBondContact O-N 2.99Å; C12-C89 WeakPolarHBondContact CA-SG 3.45Å; C12-C89 HydrophobicContact CB-CB 3.66Å; C12-C89 WeakPolarHBondContact CB-SG 3.38Å; C12-C89 VanDerWaalsContact SG-CA 3.53Å; C12-C89 WeakPolarHBondContact SG-CB 3.41Å; C12-C89 CovalentContact SG-SG 2.03Å; C12-C89 PolarHBondContact SG-SG 3.04Å; C12-I92 CarbonylContact O-C 3.57Å; C12-I92 WeakPolarHBondContact O-CA 3.35Å; C12-L93 PolarHBondContact O-N 3.1Å |
| 13 | S | 91 | Very high | 91 | Very high | 34 Ų | 34 | 65 Ų | 65 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -110.7 | 125.4 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | N11 L15 L93 L108 | N11-S13 PolarHBondContact O-N 3.49Å; N11-S13 VanDerWaalsContact O-N 3.1Å; S13-L15 PolarHBondContact O-N 2.9Å; S13-L15 PolarHBondContact OG-N 3.22Å; S13-L15 VanDerWaalsContact OG-N 3.16Å; S13-L15 PolarHBondContact OG-O 3.46Å; S13-L15 VanDerWaalsContact OG-O 3.04Å; S13-L93 CarbonylContact C-O 3.44Å; S13-L93 WeakPolarHBondContact CA-O 3.29Å; S13-L108 WeakPolarHBondContact O-CD2 3.33Å |
| 14 | S | 86.8 | Confident | 90.9 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -75.2 | -7.7 | 171.2 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | L93 | S14-L93 PolarHBondContact N-O 2.69Å; S14-L93 PolarHBondContact OG-O 3.28Å |
| 15 | L | 85.7 | Confident | 90.8 | Very high | 88 Ų | 88 | 60.2 Ų | 60.2 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -92.7 | 132.8 | 175.1 | -58.4 | 177.3 | 0 | 0 | 0 | 110.8 | S13 P94 | S13-L15 PolarHBondContact O-N 2.9Å; S13-L15 PolarHBondContact OG-N 3.22Å; S13-L15 VanDerWaalsContact OG-N 3.16Å; S13-L15 PolarHBondContact OG-O 3.46Å; S13-L15 VanDerWaalsContact OG-O 3.04Å; L15-P94 HydrophobicContact CD1-CG 4.22Å; L15-P94 HydrophobicContact CG-CG 4.45Å |
| 16 | A | 85.4 | Confident | 90.6 | Very high | 55 Ų | 55 | 60.3 Ų | 60.3 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K18 V24 I26 | A16-K18 PolarHBondContact O-N 2.98Å; A16-V24 HydrophobicContact CB-CG2 3.8Å; A16-I26 HydrophobicContact CB-CD1 4.34Å |
| 17 | P | 86.9 | Confident | 90.3 | Very high | 46 Ų | 46 | 56.9 Ų | 56.9 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -61 | 135.5 | 172.9 | -19.3 | 30.8 | 0 | 0 | 0 | 111.2 | V8 | V8-P17 HydrophobicContact CG1-CG 4.08Å; V8-P17 HydrophobicContact CG2-CG 4.2Å |
| 18 | K | 80.3 | Confident | 89.9 | Confident | 191 Ų | 191 | 51.5 Ų | 51.5 | 83% | 0.83 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -47 | 179.9 | -69.7 | -175.9 | 177.8 | -178.8 | 0 | 111.8 | A16 S20 | A16-K18 PolarHBondContact O-N 2.98Å; K18-S20 PolarHBondContact O-N 2.89Å |
| 19 | D | 81.1 | Confident | 89.5 | Confident | 161 Ų | 161 | 51.2 Ų | 51.2 | 86% | 0.861 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 48.6 | -177.3 | -56.4 | -48.7 | 0 | 0 | 0 | 111.6 | K21 | D19-K21 PolarHBondContact O-N 3.06Š|
| 20 | S | 84.5 | Confident | 88.9 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | trans | -67.9 | 128.5 | -176.7 | -161.3 | 0 | 0 | 0 | 0 | 111.7 | Y4 K18 Y22 | Y4-S20 WeakPolarHBondContact CE1-OG 3.27Å; Y4-S20 WeakPolarHBondContact OH-CA 2.97Å; Y4-S20 PolarHBondContact OH-OG 3.38Å; K18-S20 PolarHBondContact O-N 2.89Å; S20-Y22 VanDerWaalsContact CB-O 3.22Å; S20-Y22 WeakPolarHBondContact CB-O 3.42Å; S20-Y22 PolarHBondContact O-N 3.26Å; S20-Y22 PolarHBondContact OG-O 2.82Å | ||
| 21 | K | 88.4 | Confident | 88.4 | Confident | 154 Ų | 154 | 55.5 Ų | 55.5 | 67% | 0.67 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -55.3 | -39.2 | 175.5 | 177.2 | 177.4 | 179.4 | 172.6 | 0 | 111.7 | Y4 D19 | Y4-K21 HydrophobicContact CD2-CB 4.44Å; Y4-K21 HydrophobicContact CE2-CB 3.95Å; Y4-K21 PolarHBondContact OH-N 2.03Å; D19-K21 PolarHBondContact O-N 3.06Å |
| 22 | Y | 92.9 | Very high | 88 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 28% | 0.275 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -123.1 | 139.3 | 172.1 | -63.2 | -68.8 | 0 | 0 | 0 | 108.5 | M1 Y4 S20 | M1-Y22 HydrophobicContact CE-CD1 3.82Å; M1-Y22 HydrophobicContact CE-CE1 3.91Å; M1-Y22 HydrophobicContact CE-CG 4.38Å; Y4-Y22 AromaticContact CD1-CD2 3.63Å; Y4-Y22 HydrophobicContact CD1-CD2 3.63Å; Y4-Y22 HydrophobicContact CD1-CG 4.3Å; Y4-Y22 HydrophobicContact CE1-CD2 4.29Å; Y4-Y22 AromaticContact CG-CD2 3.8Å; Y4-Y22 HydrophobicContact CG-CD2 3.8Å; Y4-Y22 HydrophobicContact CG-CE2 4.46Å; S20-Y22 VanDerWaalsContact CB-O 3.22Å; S20-Y22 WeakPolarHBondContact CB-O 3.42Å; S20-Y22 PolarHBondContact O-N 3.26Å; S20-Y22 PolarHBondContact OG-O 2.82Å |
| 23 | P | 92.7 | Very high | 87.5 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | trans | -56.7 | 141.7 | 167.8 | 24.5 | -34.1 | 0 | 0 | 0 | 110.6 | Q73 A112 F113 S115 R116 | P23-Q73 HydrophobicContact CB-CG 4.29Å; P23-A112 CarbonylContact O-C 3.58Å; P23-A112 WeakPolarHBondContact O-CA 3.42Å; P23-F113 VanDerWaalsContact CD-O 3.25Å; P23-F113 WeakPolarHBondContact CD-O 2.96Å; P23-F113 HydrophobicContact CG-CB 4.16Å; P23-F113 WeakPolarHBondContact CG-O 3.38Å; P23-F113 PolarHBondContact O-N 3.19Å; P23-S115 VanDerWaalsContact CG-C 3.46Å; P23-S115 WeakPolarHBondContact CG-O 3.47Å; P23-R116 HydrophobicContact CB-CB 4.02Å; P23-R116 HydrophobicContact CB-CG 4.26Å; P23-R116 HydrophobicContact CG-CB 4.07Å | ||
| 24 | V | 93.9 | Very high | 86.9 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.6 | -176.5 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | Y4 A16 I26 V110 C111 A112 | Y4-V24 HydrophobicContact CE1-CG1 4.07Å; A16-V24 HydrophobicContact CB-CG2 3.8Å; V24-I26 HydrophobicContact CB-CG1 4.49Å; V24-I26 HydrophobicContact CG2-CD1 4.12Å; V24-I26 HydrophobicContact CG2-CG1 4.07Å; V24-V110 HydrophobicContact CB-CG1 4.09Å; V24-V110 HydrophobicContact CG1-CG1 4.05Å; V24-C111 CarbonylContact C-O 3.56Å; V24-C111 WeakPolarHBondContact CA-O 3.09Å; V24-A112 HydrophobicContact CG1-CB 4.08Å |
| 25 | A | 93.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.7 | 160 | 0 | 0 | 0 | 0 | 0 | 108.7 | I41 N70 F74 V110 C111 F113 | A25-I41 HydrophobicContact CB-CD1 4.4Å; A25-N70 VanDerWaalsContact CA-OD1 3.23Å; A25-N70 WeakPolarHBondContact CA-OD1 3.36Å; A25-F74 HydrophobicContact CB-CB 3.74Å; A25-F74 HydrophobicContact CB-CD2 4.02Å; A25-F74 HydrophobicContact CB-CG 4.36Å; A25-V110 WeakPolarHBondContact O-CA 3.23Å; A25-C111 PolarHBondContact N-O 3.45Å; A25-C111 PolarHBondContact O-N 3.2Å; A25-F113 HydrophobicContact CB-CE2 3.7Å; A25-F113 HydrophobicContact CB-CZ 4.21Å |
| 26 | I | 92.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.1 | -174.7 | -54.6 | -175.6 | 0 | 0 | 0 | 109.1 | V8 A16 V24 N70 L108 W109 V110 | V8-I26 HydrophobicContact CG1-CD1 4.13Å; A16-I26 HydrophobicContact CB-CD1 4.34Å; V24-I26 HydrophobicContact CB-CG1 4.49Å; V24-I26 HydrophobicContact CG2-CD1 4.12Å; V24-I26 HydrophobicContact CG2-CG1 4.07Å; I26-N70 PolarHBondContact N-OD1 3.48Å; I26-N70 PolarHBondContact O-ND2 3.17Å; I26-N70 PolarHBondContact O-OD1 3.19Å; I26-L108 HydrophobicContact CG2-CD1 3.5Å; I26-L108 VanDerWaalsContact CG2-CD1 3.5Å; I26-L108 HydrophobicContact CG2-CD2 4.43Å; I26-L108 HydrophobicContact CG2-CG 4.05Å; I26-W109 CarbonylContact C-O 3.49Å; I26-W109 WeakPolarHBondContact CA-O 2.98Å; I26-V110 HydrophobicContact CG1-CG1 4.32Å; I26-V110 HydrophobicContact CG1-CG2 4.15Å; I26-V110 HydrophobicContact CG2-CG2 4.28Å |
| 27 | S | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 142.7 | 175.5 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | A37 S40 W109 | S27-A37 WeakPolarHBondContact CB-O 3.49Å; S27-A37 PolarHBondContact OG-O 2.74Å; S27-S40 PolarHBondContact OG-OG 2.8Å; S27-S40 VanDerWaalsContact OG-OG 3.07Å; S27-W109 PolarHBondContact N-O 3.25Å; S27-W109 PolarHBondContact O-N 3.1Å |
| 28 | V | 88.3 | Confident | 85.4 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 141.1 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | I92 V103 F107 L108 | V28-I92 HydrophobicContact CB-CD1 4.4Å; V28-I92 HydrophobicContact CG1-CD1 3.6Å; V28-I92 HydrophobicContact CG2-CD1 4.01Å; V28-I92 HydrophobicContact CG2-CG2 4.2Å; V28-V103 HydrophobicContact CB-CB 4.46Å; V28-V103 HydrophobicContact CG1-CG1 4.41Å; V28-V103 WeakPolarHBondContact CG1-O 3.5Å; V28-V103 VanDerWaalsContact O-CB 3.24Å; V28-V103 WeakPolarHBondContact O-CB 3.34Å; V28-V103 WeakPolarHBondContact O-CG1 3.11Å; V28-F107 CarbonylContact C-O 3.52Å; V28-F107 WeakPolarHBondContact CA-O 3.48Å; V28-L108 HydrophobicContact CG2-CD1 3.88Å |
| 29 | A | 87.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N31 G105 F107 | A29-N31 VanDerWaalsContact C-N 3.33Å; A29-G105 CarbonylContact O-C 3.57Å; A29-G105 WeakPolarHBondContact O-CA 3.4Å; A29-F107 HydrophobicContact CB-CB 4.24Å; A29-F107 PolarHBondContact N-O 2.9Å; A29-F107 WeakPolarHBondContact O-CB 3.24Å; A29-F107 PolarHBondContact O-N 2.04Å |
| 30 | E | 83 | Confident | 85.3 | Confident | 125 Ų | 125 | 46.7 Ų | 46.7 | 58% | 0.584 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -72.5 | -27.5 | 175.4 | -71.6 | 178.5 | 177.1 | 0 | 0 | 113 | V103 S104 | E30-V103 HydrophobicContact CG-CG1 4.14Å; E30-S104 WeakPolarHBondContact CG-O 3.42Å |
| 31 | N | 83.9 | Confident | 85.4 | Confident | 57 Ų | 57 | 46 Ų | 46 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -144.9 | 173.7 | -176.2 | 63.2 | 50.3 | 0 | 0 | 0 | 111.6 | A29 T33 N36 F107 | A29-N31 VanDerWaalsContact C-N 3.33Å; N31-T33 PolarHBondContact O-N 3.02Å; N31-T33 VanDerWaalsContact OD1-CB 3.29Å; N31-T33 WeakPolarHBondContact OD1-CB 3.4Å; N31-T33 WeakPolarHBondContact OD1-CG2 3.42Å; N31-T33 PolarHBondContact OD1-N 3.33Å; N31-T33 PolarHBondContact OD1-OG1 3.32Å; N31-N36 PolarHBondContact ND2-ND2 3.04Å; N31-N36 PolarHBondContact OD1-ND2 3.48Å; N31-N36 PolarHBondContact OD1-OD1 3.01Å; N31-F107 VanDerWaalsContact C-CD2 3.49Å; N31-F107 VanDerWaalsContact CA-CD2 3.41Å |
| 32 | E | 85.8 | Confident | 85.2 | Confident | 124 Ų | 124 | 40.6 Ų | 40.6 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -76.9 | -1.4 | -177.5 | -59.6 | 179.8 | -170.6 | 0 | 0 | 113.4 | L86 F107 W109 | E32-L86 HydrophobicContact CB-CD2 4.06Å; E32-L86 HydrophobicContact CG-CD2 4.11Å; E32-F107 HydrophobicContact CG-CD1 3.69Å; E32-F107 HydrophobicContact CG-CD2 4.43Å; E32-F107 HydrophobicContact CG-CE1 3.15Å; E32-F107 HydrophobicContact CG-CE2 3.98Å; E32-F107 HydrophobicContact CG-CG 4.3Å; E32-F107 HydrophobicContact CG-CZ 3.31Å; E32-F107 VanDerWaalsContact OE1-CE1 3.23Å; E32-F107 WeakPolarHBondContact OE1-CE1 3.36Å; E32-F107 WeakPolarHBondContact OE1-CZ 3.41Å; E32-W109 WeakPolarHBondContact O-CZ2 3.36Å |
| 33 | T | 83 | Confident | 84.7 | Confident | 63 Ų | 63 | 40.1 Ų | 40.1 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | trans | -75.6 | 135.3 | -175.5 | 72.8 | 0 | 0 | 0 | 0 | 110.4 | N31 T35 N36 | N31-T33 PolarHBondContact O-N 3.02Å; N31-T33 VanDerWaalsContact OD1-CB 3.29Å; N31-T33 WeakPolarHBondContact OD1-CB 3.4Å; N31-T33 WeakPolarHBondContact OD1-CG2 3.42Å; N31-T33 PolarHBondContact OD1-N 3.33Å; N31-T33 PolarHBondContact OD1-OG1 3.32Å; T33-T35 WeakPolarHBondContact CB-OG1 3.18Å; T33-T35 PolarHBondContact O-N 2.99Å; T33-T35 VanDerWaalsContact O-N 3.14Å; T33-T35 PolarHBondContact OG1-OG1 3.02Å; T33-N36 PolarHBondContact O-OD1 2.98Å; T33-N36 PolarHBondContact OG1-OD1 2.87Å | ||
| 34 | S | 78 | Confident | 84.5 | Confident | 94 Ų | 94 | 39.9 Ų | 39.9 | 66% | 0.657 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.1 | 176.3 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 35 | T | 76.3 | Confident | 84.1 | Confident | 126 Ų | 126 | 40.8 Ų | 40.8 | 77% | 0.773 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -32.4 | -176.2 | 38.8 | 0 | 0 | 0 | 0 | 113.7 | T33 | T33-T35 WeakPolarHBondContact CB-OG1 3.18Å; T33-T35 PolarHBondContact O-N 2.99Å; T33-T35 VanDerWaalsContact O-N 3.14Å; T33-T35 PolarHBondContact OG1-OG1 3.02Å |
| 36 | N | 71.8 | Confident | 83.6 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -1.8 | 176.2 | 65.9 | -9.2 | 0 | 0 | 0 | 112.9 | N31 T33 F38 A39 | N31-N36 PolarHBondContact ND2-ND2 3.04Å; N31-N36 PolarHBondContact OD1-ND2 3.48Å; N31-N36 PolarHBondContact OD1-OD1 3.01Å; T33-N36 PolarHBondContact O-OD1 2.98Å; T33-N36 PolarHBondContact OG1-OD1 2.87Å; N36-F38 PolarHBondContact O-N 2.96Å; N36-A39 PolarHBondContact O-N 2.95Å |
| 37 | A | 80.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -37 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | S27 W109 | S27-A37 WeakPolarHBondContact CB-O 3.49Å; S27-A37 PolarHBondContact OG-O 2.74Å; A37-W109 HydrophobicContact CB-CD2 3.7Å; A37-W109 HydrophobicContact CB-CE3 4.43Å; A37-W109 HydrophobicContact CB-CG 3.78Å; A37-W109 HydrophobicContact CB-CZ2 4.09Å |
| 38 | F | 85.5 | Confident | 83.2 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 23.7 | -175.9 | -55.2 | -75.7 | 0 | 0 | 0 | 113.3 | N36 S40 I41 S42 F74 W109 C111 | N36-F38 PolarHBondContact O-N 2.96Å; F38-S40 VanDerWaalsContact C-N 3.33Å; F38-S40 PolarHBondContact O-N 2.84Å; F38-I41 HydrophobicContact CD1-CD1 3.92Å; F38-I41 PolarHBondContact O-N 2.84Å; F38-S42 PolarHBondContact O-N 2.88Å; F38-S42 PolarHBondContact O-OG 2.81Å; F38-F74 HydrophobicContact CB-CE1 3.97Å; F38-F74 HydrophobicContact CB-CE2 4.3Å; F38-F74 HydrophobicContact CB-CZ 3.73Å; F38-F74 HydrophobicContact CD1-CD2 4.07Å; F38-F74 AromaticContact CD1-CE2 3.56Å; F38-F74 HydrophobicContact CD1-CE2 3.56Å; F38-F74 AromaticContact CD1-CZ 3.89Å; F38-F74 HydrophobicContact CD1-CZ 3.89Å; F38-F74 AromaticContact CD2-CE2 3.83Å; F38-F74 HydrophobicContact CD2-CE2 3.83Å; F38-F74 AromaticContact CD2-CZ 3.6Å; F38-F74 HydrophobicContact CD2-CZ 3.6Å; F38-F74 HydrophobicContact CE1-CD2 4.26Å; F38-F74 AromaticContact CE1-CE2 3.74Å; F38-F74 HydrophobicContact CE1-CE2 3.74Å; F38-F74 HydrophobicContact CE1-CZ 4.43Å; F38-F74 AromaticContact CE2-CE2 4Å; F38-F74 HydrophobicContact CE2-CE2 4Å; F38-F74 HydrophobicContact CE2-CZ 4.18Å; F38-F74 HydrophobicContact CG-CD2 4.45Å; F38-F74 HydrophobicContact CG-CE1 4.17Å; F38-F74 AromaticContact CG-CE2 3.61Å; F38-F74 HydrophobicContact CG-CE2 3.61Å; F38-F74 AromaticContact CG-CZ 3.44Å; F38-F74 HydrophobicContact CG-CZ 3.44Å; F38-F74 VanDerWaalsContact CG-CZ 3.44Å; F38-F74 AromaticContact CZ-CE2 3.96Å; F38-F74 HydrophobicContact CZ-CE2 3.96Å; F38-W109 HydrophobicContact CE1-CB 3.87Å; F38-W109 HydrophobicContact CZ-CB 3.85Å; F38-W109 HydrophobicContact CZ-CE3 4.35Å; F38-W109 HydrophobicContact CZ-CG 4.4Å; F38-C111 WeakPolarHBondContact CZ-SG 2.98Å |
| 39 | A | 80.3 | Confident | 83.2 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N36 I41 S42 D43 | N36-A39 PolarHBondContact O-N 2.95Å; A39-I41 PolarHBondContact O-N 2.89Å; A39-S42 WeakPolarHBondContact O-CB 3.16Å; A39-S42 PolarHBondContact O-N 3.25Å; A39-D43 PolarHBondContact O-N 2.98Å; A39-D43 VanDerWaalsContact O-N 3.08Å |
| 40 | S | 78.2 | Confident | 83 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.3 | -34.6 | 177.3 | 65.1 | 0 | 0 | 0 | 0 | 114 | S27 F38 | S27-S40 PolarHBondContact OG-OG 2.8Å; S27-S40 VanDerWaalsContact OG-OG 3.07Å; F38-S40 VanDerWaalsContact C-N 3.33Å; F38-S40 PolarHBondContact O-N 2.84Å |
| 41 | I | 87.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.5 | -38.3 | 177.6 | -59 | -170.9 | 0 | 0 | 0 | 110.5 | A25 F38 A39 D43 I44 N70 F71 F74 Y75 | A25-I41 HydrophobicContact CB-CD1 4.4Å; F38-I41 HydrophobicContact CD1-CD1 3.92Å; F38-I41 PolarHBondContact O-N 2.84Å; A39-I41 PolarHBondContact O-N 2.89Å; I41-D43 VanDerWaalsContact C-N 3.28Å; I41-D43 PolarHBondContact O-N 3.39Å; I41-I44 WeakPolarHBondContact O-CB 3.43Å; I41-I44 PolarHBondContact O-N 2.86Å; I41-N70 WeakPolarHBondContact CD1-ND2 3.38Å; I41-F71 HydrophobicContact CG2-CB 4.02Å; I41-F71 HydrophobicContact CG2-CD2 4.1Å; I41-F71 WeakPolarHBondContact O-CD2 3.05Å; I41-F74 HydrophobicContact CD1-CB 4.22Å; I41-F74 HydrophobicContact CD1-CD2 4.45Å; I41-F74 HydrophobicContact CD1-CG 4.23Å; I41-F74 HydrophobicContact CG2-CB 3.89Å; I41-F74 HydrophobicContact CG2-CD1 3.96Å; I41-F74 HydrophobicContact CG2-CG 4.14Å; I41-Y75 HydrophobicContact CG2-CD2 4.41Å; I41-Y75 HydrophobicContact CG2-CE2 4.12Å |
| 42 | S | 83.7 | Confident | 83.1 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 179.2 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | F38 A39 I44 A45 Y75 | F38-S42 PolarHBondContact O-N 2.88Å; F38-S42 PolarHBondContact O-OG 2.81Å; A39-S42 WeakPolarHBondContact O-CB 3.16Å; A39-S42 PolarHBondContact O-N 3.25Å; S42-I44 VanDerWaalsContact C-N 3.27Å; S42-I44 PolarHBondContact O-N 2.8Å; S42-A45 WeakPolarHBondContact O-CB 3.36Å; S42-A45 PolarHBondContact O-N 3.33Å; S42-A45 VanDerWaalsContact O-N 3.1Å; S42-Y75 PolarHBondContact OG-OH 3.16Å |
| 43 | D | 82.6 | Confident | 83.1 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -29.5 | 179.3 | -66.6 | -24.8 | 0 | 0 | 0 | 113 | A39 I41 A45 F46 F47 L102 | A39-D43 PolarHBondContact O-N 2.98Å; A39-D43 VanDerWaalsContact O-N 3.08Å; I41-D43 VanDerWaalsContact C-N 3.28Å; I41-D43 PolarHBondContact O-N 3.39Å; D43-A45 PolarHBondContact O-N 3.36Å; D43-F46 WeakPolarHBondContact O-CD2 3.09Å; D43-F46 PolarHBondContact O-N 2.81Å; D43-F47 WeakPolarHBondContact O-CD2 3.1Å; D43-L102 HydrophobicContact CB-CD1 4.29Å; D43-L102 WeakPolarHBondContact OD2-CD1 3.14Å |
| 44 | I | 87.4 | Confident | 83.4 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -27.7 | 176.7 | -60.5 | 170.8 | 0 | 0 | 0 | 111 | I41 S42 F46 F47 Y48 C55 F63 Q67 F71 | I41-I44 WeakPolarHBondContact O-CB 3.43Å; I41-I44 PolarHBondContact O-N 2.86Å; S42-I44 VanDerWaalsContact C-N 3.27Å; S42-I44 PolarHBondContact O-N 2.8Å; I44-F46 PolarHBondContact O-N 2.72Å; I44-F47 PolarHBondContact O-N 3.34Å; I44-Y48 PolarHBondContact O-N 3.24Å; I44-C55 HydrophobicContact CG2-CB 4.1Å; I44-C55 WeakPolarHBondContact CG2-SG 3.37Å; I44-F63 HydrophobicContact CB-CD2 4.42Å; I44-F63 HydrophobicContact CB-CE2 4.35Å; I44-F63 HydrophobicContact CD1-CD1 4.46Å; I44-F63 HydrophobicContact CG1-CD1 4.07Å; I44-F63 HydrophobicContact CG1-CD2 4.17Å; I44-F63 HydrophobicContact CG1-CE1 3.94Å; I44-F63 HydrophobicContact CG1-CE2 4.03Å; I44-F63 HydrophobicContact CG1-CG 4.18Å; I44-F63 HydrophobicContact CG1-CZ 3.91Å; I44-F63 HydrophobicContact CG2-CD2 4.06Å; I44-F63 HydrophobicContact CG2-CE2 4.46Å; I44-F63 HydrophobicContact CG2-CG 4.37Å; I44-Q67 HydrophobicContact CD1-CB 4.27Å; I44-F71 HydrophobicContact CB-CB 3.91Å; I44-F71 HydrophobicContact CB-CD2 4.37Å; I44-F71 HydrophobicContact CB-CG 4.07Å; I44-F71 HydrophobicContact CD1-CB 4.18Å; I44-F71 HydrophobicContact CG2-CB 3.62Å; I44-F71 HydrophobicContact CG2-CD1 3.98Å; I44-F71 HydrophobicContact CG2-CG 3.78Å |
| 45 | A | 85.2 | Confident | 83.9 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -57.9 | -33.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S42 D43 F47 Y48 F71 | S42-A45 WeakPolarHBondContact O-CB 3.36Å; S42-A45 PolarHBondContact O-N 3.33Å; S42-A45 VanDerWaalsContact O-N 3.1Å; D43-A45 PolarHBondContact O-N 3.36Å; A45-F47 PolarHBondContact O-N 2.86Å; A45-Y48 PolarHBondContact O-N 3.44Å; A45-F71 HydrophobicContact CB-CD2 4.28Å; A45-F71 HydrophobicContact CB-CE2 3.42Å; A45-F71 VanDerWaalsContact CB-CE2 3.42Å; A45-F71 HydrophobicContact CB-CZ 3.74Å |
| 46 | F | 83.5 | Confident | 84.5 | Confident | 170 Ų | 170 | 46.7 Ų | 46.7 | 75% | 0.746 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -66.5 | -20.8 | 178.4 | -66.9 | -72.2 | 0 | 0 | 0 | 113.7 | D43 I44 | D43-F46 WeakPolarHBondContact O-CD2 3.09Å; D43-F46 PolarHBondContact O-N 2.81Å; I44-F46 PolarHBondContact O-N 2.72Å |
| 47 | F | 87.5 | Confident | 84.8 | Confident | 77 Ų | 77 | 46.3 Ų | 46.3 | 34% | 0.338 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -107.9 | 1 | -176.4 | -60.1 | -88.2 | 0 | 0 | 0 | 112.5 | D43 I44 A45 N49 C55 D56 A57 V62 F63 | D43-F47 WeakPolarHBondContact O-CD2 3.1Å; I44-F47 PolarHBondContact O-N 3.34Å; A45-F47 PolarHBondContact O-N 2.86Å; F47-N49 PolarHBondContact O-N 2.77Å; F47-C55 CarbonylContact O-C 2.97Å; F47-C55 VanDerWaalsContact O-C 3.27Å; F47-C55 WeakPolarHBondContact O-CA 3.39Å; F47-D56 PolarHBondContact O-N 3.37Å; F47-A57 HydrophobicContact CD1-CB 4.18Å; F47-V62 HydrophobicContact CB-CB 4.39Å; F47-V62 HydrophobicContact CB-CG1 4.3Å; F47-V62 HydrophobicContact CD1-CB 4Å; F47-V62 HydrophobicContact CD1-CG1 3.52Å; F47-V62 HydrophobicContact CD1-CG2 3.81Å; F47-V62 HydrophobicContact CD2-CG1 4.33Å; F47-V62 HydrophobicContact CE1-CG1 3.75Å; F47-V62 HydrophobicContact CE1-CG2 4.29Å; F47-V62 HydrophobicContact CE2-CG1 4.5Å; F47-V62 HydrophobicContact CG-CB 4.34Å; F47-V62 HydrophobicContact CG-CG1 3.8Å; F47-V62 HydrophobicContact CZ-CG1 4.22Å; F47-F63 HydrophobicContact CB-CD2 4.08Å; F47-F63 HydrophobicContact CB-CE2 4.07Å; F47-F63 HydrophobicContact CD2-CD2 4.28Å; F47-F63 AromaticContact CD2-CE2 3.43Å; F47-F63 HydrophobicContact CD2-CE2 3.43Å; F47-F63 VanDerWaalsContact CD2-CE2 3.43Å; F47-F63 HydrophobicContact CD2-CZ 4.31Å; F47-F63 AromaticContact CE2-CE2 3.92Å; F47-F63 HydrophobicContact CE2-CE2 3.92Å; F47-F63 HydrophobicContact CE2-CZ 4.43Å; F47-F63 HydrophobicContact CG-CD2 4.29Å; F47-F63 AromaticContact CG-CE2 3.84Å; F47-F63 HydrophobicContact CG-CE2 3.84Å |
| 48 | Y | 88.3 | Confident | 84.7 | Confident | 20 Ų | 20 | 56.7 Ų | 56.7 | 8% | 0.078 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.4 | 177.6 | 178.7 | -95.1 | 0 | 0 | 0 | 111.3 | I44 A45 F50 N53 F71 R72 P122 P123 I125 | I44-Y48 PolarHBondContact O-N 3.24Å; A45-Y48 PolarHBondContact O-N 3.44Å; Y48-F50 HydrophobicContact CE1-CB 3.97Å; Y48-N53 PolarHBondContact OH-OD1 3.48Å; Y48-F71 HydrophobicContact CD2-CD1 4.43Å; Y48-F71 AromaticContact CD2-CE1 3.94Å; Y48-F71 HydrophobicContact CD2-CE1 3.94Å; Y48-F71 AromaticContact CG-CE1 3.8Å; Y48-F71 HydrophobicContact CG-CE1 3.8Å; Y48-R72 HydrophobicContact CE2-CG 4.24Å; Y48-P122 HydrophobicContact CE1-CB 4.11Å; Y48-P122 VanDerWaalsContact OH-CA 3.32Å; Y48-P122 WeakPolarHBondContact OH-CA 3.42Å; Y48-P122 WeakPolarHBondContact OH-CB 3.41Å; Y48-P123 HydrophobicContact CD1-CG 4.27Å; Y48-P123 HydrophobicContact CD2-CG 4.43Å; Y48-P123 HydrophobicContact CE1-CG 4.15Å; Y48-P123 HydrophobicContact CE2-CG 4.37Å; Y48-P123 HydrophobicContact CG-CG 4.37Å; Y48-I125 HydrophobicContact CD1-CD1 3.35Å; Y48-I125 HydrophobicContact CE1-CD1 3.61Å; Y48-I125 HydrophobicContact CG-CD1 4.49Å |
| 49 | N | 86.9 | Confident | 84.2 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 108.4 | 177.3 | -177.3 | -16.5 | 0 | 0 | 0 | 110 | F47 R51 T52 N53 L54 D56 | F47-N49 PolarHBondContact O-N 2.77Å; N49-R51 PolarHBondContact O-N 3.16Å; N49-R51 VanDerWaalsContact O-N 3.12Å; N49-R51 WeakPolarHBondContact OD1-CB 3.47Å; N49-R51 PolarHBondContact OD1-N 2.6Å; N49-T52 WeakPolarHBondContact CB-OG1 3.43Å; N49-T52 PolarHBondContact O-N 2.79Å; N49-T52 PolarHBondContact O-OG1 3.08Å; N49-N53 WeakPolarHBondContact O-CA 3.47Å; N49-N53 PolarHBondContact O-N 3.43Å; N49-L54 PolarHBondContact N-O 3.36Å; N49-D56 WeakPolarHBondContact CB-OD1 3.49Å; N49-D56 PolarHBondContact ND2-OD1 2.65Å |
| 50 | F | 83.9 | Confident | 84.4 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.7 | -178.2 | 77.8 | -90.2 | 0 | 0 | 0 | 114 | Y48 A128 A131 L135 | Y48-F50 HydrophobicContact CE1-CB 3.97Å; F50-A128 HydrophobicContact CE1-CB 4.04Å; F50-A131 HydrophobicContact CD2-CB 4.46Å; F50-A131 HydrophobicContact CE2-CB 4.02Å; F50-A131 HydrophobicContact CZ-CB 4.14Å; F50-L135 HydrophobicContact CB-CD2 4.39Å; F50-L135 HydrophobicContact CD2-CD2 3.82Å; F50-L135 HydrophobicContact CG-CD2 4.43Å |
| 51 | R | 81.7 | Confident | 84.5 | Confident | 184 Ų | 184 | 67.9 Ų | 67.9 | 69% | 0.694 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -39.8 | 178.8 | -61.3 | -178.5 | -179.3 | -89.5 | -1 | 111.7 | N49 | N49-R51 PolarHBondContact O-N 3.16Å; N49-R51 VanDerWaalsContact O-N 3.12Å; N49-R51 WeakPolarHBondContact OD1-CB 3.47Å; N49-R51 PolarHBondContact OD1-N 2.6Å |
| 52 | T | 86.7 | Confident | 84.4 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -16.3 | -180 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | N49 L54 D56 | N49-T52 WeakPolarHBondContact CB-OG1 3.43Å; N49-T52 PolarHBondContact O-N 2.79Å; N49-T52 PolarHBondContact O-OG1 3.08Å; T52-L54 PolarHBondContact O-N 2.84Å; T52-L54 PolarHBondContact OG1-N 2.78Å; T52-D56 WeakPolarHBondContact CB-OD2 3.1Å; T52-D56 PolarHBondContact OG1-OD2 3.4Å |
| 53 | N | 86.2 | Confident | 84.6 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 19% | 0.187 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 20.1 | -168.8 | -66.7 | -55.3 | 0 | 0 | 0 | 114.2 | Y48 N49 R72 P119 E120 | Y48-N53 PolarHBondContact OH-OD1 3.48Å; N49-N53 WeakPolarHBondContact O-CA 3.47Å; N49-N53 PolarHBondContact O-N 3.43Å; N53-R72 PolarHBondContact O-NH1 2.79Å; N53-P119 WeakPolarHBondContact CB-O 3.43Å; N53-E120 PolarHBondContact ND2-O 3.45Å |
| 54 | L | 88.7 | Confident | 84.8 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 166.5 | -179.6 | -60 | 176.6 | 0 | 0 | 0 | 110.6 | N49 T52 D56 C68 | N49-L54 PolarHBondContact N-O 3.36Å; T52-L54 PolarHBondContact O-N 2.84Å; T52-L54 PolarHBondContact OG1-N 2.78Å; L54-D56 PolarHBondContact O-N 3.4Å; L54-C68 VanDerWaalsContact C-SG 3.6Å |
| 55 | C | 88.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.007 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 78.3 | 175.8 | -65.4 | 0 | 0 | 0 | 0 | 108.3 | I44 F47 V62 F63 C68 | I44-C55 HydrophobicContact CG2-CB 4.1Å; I44-C55 WeakPolarHBondContact CG2-SG 3.37Å; F47-C55 CarbonylContact O-C 2.97Å; F47-C55 VanDerWaalsContact O-C 3.27Å; F47-C55 WeakPolarHBondContact O-CA 3.39Å; C55-V62 PolarHBondContact O-N 3.31Å; C55-F63 HydrophobicContact CB-CB 3.9Å; C55-F63 HydrophobicContact CB-CD2 4.22Å; C55-F63 PolarHBondContact O-N 3.48Å; C55-F63 VanDerWaalsContact O-N 3.15Å; C55-C68 HydrophobicContact CB-CB 3.59Å; C55-C68 WeakPolarHBondContact CB-SG 3.26Å; C55-C68 PolarHBondContact N-SG 2.86Å; C55-C68 WeakPolarHBondContact SG-CA 3.35Å; C55-C68 WeakPolarHBondContact SG-CB 3.32Å; C55-C68 CovalentContact SG-SG 2.04Å; C55-C68 PolarHBondContact SG-SG 2.83Å |
| 56 | D | 88.5 | Confident | 84.8 | Confident | 17 Ų | 17 | 76 Ų | 76 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 156.7 | -172.7 | 66.8 | 53.6 | 0 | 0 | 0 | 111.7 | F47 N49 T52 L54 E60 | F47-D56 PolarHBondContact O-N 3.37Å; N49-D56 WeakPolarHBondContact CB-OD1 3.49Å; N49-D56 PolarHBondContact ND2-OD1 2.65Å; T52-D56 WeakPolarHBondContact CB-OD2 3.1Å; T52-D56 PolarHBondContact OG1-OD2 3.4Å; L54-D56 PolarHBondContact O-N 3.4Å; D56-E60 CarbonylContact C-O 3.51Å; D56-E60 VanDerWaalsContact CA-O 3.25Å; D56-E60 WeakPolarHBondContact CA-O 3.33Å; D56-E60 VanDerWaalsContact CB-O 3.28Å; D56-E60 WeakPolarHBondContact CB-O 3.23Å |
| 57 | A | 79.8 | Confident | 85 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 22% | 0.223 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 129.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | F47 G59 E60 V62 | F47-A57 HydrophobicContact CD1-CB 4.18Å; A57-G59 PolarHBondContact O-N 3.3Å; A57-G59 VanDerWaalsContact O-N 3.1Å; A57-E60 PolarHBondContact N-O 3.49Å; A57-E60 PolarHBondContact O-N 2.86Å; A57-V62 HydrophobicContact CB-CG2 3.61Å |
| 58 | F | 77.3 | Confident | 85.1 | Confident | 219 Ų | 219 | 65.2 Ų | 65.2 | 96% | 0.961 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 31.3 | 177.1 | -51.8 | -75.2 | 0 | 0 | 0 | 114.4 | E60 | F58-E60 VanDerWaalsContact C-N 3.32Š|
| 59 | G | 76.3 | Confident | 85.2 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A57 | A57-G59 PolarHBondContact O-N 3.3Å; A57-G59 VanDerWaalsContact O-N 3.1Å |
| 60 | E | 83 | Confident | 85.4 | Confident | 152 Ų | 152 | 65.8 Ų | 65.8 | 71% | 0.71 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.8 | 173.4 | -64.7 | -169.9 | 166.3 | 0 | 0 | 110.8 | D56 A57 F58 V62 | D56-E60 CarbonylContact C-O 3.51Å; D56-E60 VanDerWaalsContact CA-O 3.25Å; D56-E60 WeakPolarHBondContact CA-O 3.33Å; D56-E60 VanDerWaalsContact CB-O 3.28Å; D56-E60 WeakPolarHBondContact CB-O 3.23Å; A57-E60 PolarHBondContact N-O 3.49Å; A57-E60 PolarHBondContact O-N 2.86Å; F58-E60 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 3.3Å; E60-V62 VanDerWaalsContact O-N 3.17Å |
| 61 | V | 81.3 | Confident | 85.8 | Confident | 97 Ų | 97 | 64 Ų | 64 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 114.2 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | F63 | V61-F63 WeakPolarHBondContact CG1-O 3.44Å |
| 62 | V | 85.2 | Confident | 86.3 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -86 | -38.4 | -178.6 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | F47 C55 A57 E60 R100 | F47-V62 HydrophobicContact CB-CB 4.39Å; F47-V62 HydrophobicContact CB-CG1 4.3Å; F47-V62 HydrophobicContact CD1-CB 4Å; F47-V62 HydrophobicContact CD1-CG1 3.52Å; F47-V62 HydrophobicContact CD1-CG2 3.81Å; F47-V62 HydrophobicContact CD2-CG1 4.33Å; F47-V62 HydrophobicContact CE1-CG1 3.75Å; F47-V62 HydrophobicContact CE1-CG2 4.29Å; F47-V62 HydrophobicContact CE2-CG1 4.5Å; F47-V62 HydrophobicContact CG-CB 4.34Å; F47-V62 HydrophobicContact CG-CG1 3.8Å; F47-V62 HydrophobicContact CZ-CG1 4.22Å; C55-V62 PolarHBondContact O-N 3.31Å; A57-V62 HydrophobicContact CB-CG2 3.61Å; E60-V62 PolarHBondContact O-N 3.3Å; E60-V62 VanDerWaalsContact O-N 3.17Å; V62-R100 WeakPolarHBondContact O-CD 3.47Å; V62-R100 PolarHBondContact O-NH1 3.33Å; V62-R100 VanDerWaalsContact O-NH1 3.13Å |
| 63 | F | 87.4 | Confident | 86.5 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -126.3 | 146.6 | 178 | -68.1 | -78.6 | 0 | 0 | 0 | 110.3 | I44 F47 C55 V61 Q67 R100 | I44-F63 HydrophobicContact CB-CD2 4.42Å; I44-F63 HydrophobicContact CB-CE2 4.35Å; I44-F63 HydrophobicContact CD1-CD1 4.46Å; I44-F63 HydrophobicContact CG1-CD1 4.07Å; I44-F63 HydrophobicContact CG1-CD2 4.17Å; I44-F63 HydrophobicContact CG1-CE1 3.94Å; I44-F63 HydrophobicContact CG1-CE2 4.03Å; I44-F63 HydrophobicContact CG1-CG 4.18Å; I44-F63 HydrophobicContact CG1-CZ 3.91Å; I44-F63 HydrophobicContact CG2-CD2 4.06Å; I44-F63 HydrophobicContact CG2-CE2 4.46Å; I44-F63 HydrophobicContact CG2-CG 4.37Å; F47-F63 HydrophobicContact CB-CD2 4.08Å; F47-F63 HydrophobicContact CB-CE2 4.07Å; F47-F63 HydrophobicContact CD2-CD2 4.28Å; F47-F63 AromaticContact CD2-CE2 3.43Å; F47-F63 HydrophobicContact CD2-CE2 3.43Å; F47-F63 VanDerWaalsContact CD2-CE2 3.43Å; F47-F63 HydrophobicContact CD2-CZ 4.31Å; F47-F63 AromaticContact CE2-CE2 3.92Å; F47-F63 HydrophobicContact CE2-CE2 3.92Å; F47-F63 HydrophobicContact CE2-CZ 4.43Å; F47-F63 HydrophobicContact CG-CD2 4.29Å; F47-F63 AromaticContact CG-CE2 3.84Å; F47-F63 HydrophobicContact CG-CE2 3.84Å; C55-F63 HydrophobicContact CB-CB 3.9Å; C55-F63 HydrophobicContact CB-CD2 4.22Å; C55-F63 PolarHBondContact O-N 3.48Å; C55-F63 VanDerWaalsContact O-N 3.15Å; V61-F63 WeakPolarHBondContact CG1-O 3.44Å; F63-Q67 HydrophobicContact CB-CB 3.96Å; F63-Q67 HydrophobicContact CD1-CB 4.38Å; F63-R100 HydrophobicContact CD1-CB 4.49Å; F63-R100 HydrophobicContact CE1-CB 3.95Å |
| 64 | T | 86.8 | Confident | 86.9 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 34% | 0.344 | 29% | 0.292 | S | S | . | . | trans | -61.7 | 163.3 | 179.1 | 81.9 | 0 | 0 | 0 | 0 | 111.6 | E66 Q67 C68 | T64-E66 VanDerWaalsContact CB-OE2 3.26Å; T64-E66 WeakPolarHBondContact CB-OE2 3.13Å; T64-E66 PolarHBondContact O-N 3.27Å; T64-E66 PolarHBondContact OG1-N 3.21Å; T64-E66 PolarHBondContact OG1-OE2 2.79Å; T64-Q67 PolarHBondContact O-N 3.39Å; T64-Q67 PolarHBondContact OG1-N 3.25Å; T64-C68 WeakPolarHBondContact O-CB 3.18Å; T64-C68 PolarHBondContact O-N 3.5Å | ||
| 65 | T | 86.5 | Confident | 87 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 56% | 0.564 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.1 | -37 | 177.2 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | C68 Q69 | T65-C68 PolarHBondContact O-N 2.82Å; T65-Q69 WeakPolarHBondContact O-CB 3.23Å; T65-Q69 PolarHBondContact O-N 2.05Å |
| 66 | E | 86.4 | Confident | 87 | Confident | 133 Ų | 133 | 54.4 Ų | 54.4 | 62% | 0.621 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68 | -44.9 | 178.3 | -59 | 75.5 | -166.6 | 0 | 0 | 111.9 | T64 C68 Q69 N70 | T64-E66 VanDerWaalsContact CB-OE2 3.26Å; T64-E66 WeakPolarHBondContact CB-OE2 3.13Å; T64-E66 PolarHBondContact O-N 3.27Å; T64-E66 PolarHBondContact OG1-N 3.21Å; T64-E66 PolarHBondContact OG1-OE2 2.79Å; E66-C68 VanDerWaalsContact C-N 3.34Å; E66-Q69 PolarHBondContact O-N 3.07Å; E66-N70 WeakPolarHBondContact O-CB 3.12Å; E66-N70 PolarHBondContact O-N 2.83Å |
| 67 | Q | 87.5 | Confident | 86.5 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.4 | -73.1 | 173 | -44.1 | 0 | 0 | 110.7 | I44 F63 T64 Q69 N70 F71 E99 | I44-Q67 HydrophobicContact CD1-CB 4.27Å; F63-Q67 HydrophobicContact CB-CB 3.96Å; F63-Q67 HydrophobicContact CD1-CB 4.38Å; T64-Q67 PolarHBondContact O-N 3.39Å; T64-Q67 PolarHBondContact OG1-N 3.25Å; Q67-Q69 VanDerWaalsContact C-N 3.35Å; Q67-Q69 PolarHBondContact O-N 2.6Å; Q67-N70 WeakPolarHBondContact O-CB 3.23Å; Q67-N70 PolarHBondContact O-N 3.31Å; Q67-F71 PolarHBondContact O-N 3.49Å; Q67-E99 PolarHBondContact NE2-O 3.05Å; Q67-E99 VanDerWaalsContact NE2-O 3.1Å |
| 68 | C | 90 | Very high | 86.5 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.1 | -161.4 | 0 | 0 | 0 | 0 | 111.9 | L54 C55 T64 T65 E66 N70 F71 R72 | L54-C68 VanDerWaalsContact C-SG 3.6Å; C55-C68 HydrophobicContact CB-CB 3.59Å; C55-C68 WeakPolarHBondContact CB-SG 3.26Å; C55-C68 PolarHBondContact N-SG 2.86Å; C55-C68 WeakPolarHBondContact SG-CA 3.35Å; C55-C68 WeakPolarHBondContact SG-CB 3.32Å; C55-C68 CovalentContact SG-SG 2.04Å; C55-C68 PolarHBondContact SG-SG 2.83Å; T64-C68 WeakPolarHBondContact O-CB 3.18Å; T64-C68 PolarHBondContact O-N 3.5Å; T65-C68 PolarHBondContact O-N 2.82Å; E66-C68 VanDerWaalsContact C-N 3.34Å; C68-N70 VanDerWaalsContact C-N 3.34Å; C68-N70 PolarHBondContact O-N 3Å; C68-F71 WeakPolarHBondContact O-CB 3.34Å; C68-F71 PolarHBondContact O-N 2.81Å; C68-R72 VanDerWaalsContact O-CG 3.23Å; C68-R72 WeakPolarHBondContact O-CG 3.44Å; C68-R72 PolarHBondContact O-N 2.67Å |
| 69 | Q | 90.1 | Very high | 86.5 | Confident | 46 Ų | 46 | 47 Ų | 47 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 177.2 | -175.3 | 59.6 | 25.5 | 0 | 0 | 112.1 | T65 E66 Q67 R72 Q73 A117 | T65-Q69 WeakPolarHBondContact O-CB 3.23Å; T65-Q69 PolarHBondContact O-N 2.05Å; E66-Q69 PolarHBondContact O-N 3.07Å; Q67-Q69 VanDerWaalsContact C-N 3.35Å; Q67-Q69 PolarHBondContact O-N 2.6Å; Q69-R72 PolarHBondContact O-N 3.4Å; Q69-Q73 WeakPolarHBondContact O-CB 3.1Å; Q69-Q73 PolarHBondContact O-N 2.92Å; Q69-A117 PolarHBondContact NE2-O 3.02Å |
| 70 | N | 90.9 | Very high | 86.6 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 16% | 0.16 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 173.6 | -172.8 | 60.5 | 0 | 0 | 0 | 111.3 | A25 I26 I41 E66 Q67 C68 Q73 F74 | A25-N70 VanDerWaalsContact CA-OD1 3.23Å; A25-N70 WeakPolarHBondContact CA-OD1 3.36Å; I26-N70 PolarHBondContact N-OD1 3.48Å; I26-N70 PolarHBondContact O-ND2 3.17Å; I26-N70 PolarHBondContact O-OD1 3.19Å; I41-N70 WeakPolarHBondContact CD1-ND2 3.38Å; E66-N70 WeakPolarHBondContact O-CB 3.12Å; E66-N70 PolarHBondContact O-N 2.83Å; Q67-N70 WeakPolarHBondContact O-CB 3.23Å; Q67-N70 PolarHBondContact O-N 3.31Å; C68-N70 VanDerWaalsContact C-N 3.34Å; C68-N70 PolarHBondContact O-N 3Å; N70-Q73 PolarHBondContact O-N 3.15Å; N70-F74 PolarHBondContact O-N 3.37Å |
| 71 | F | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58 | -49.6 | 171.7 | 157.7 | -106.6 | 0 | 0 | 0 | 112.5 | I41 I44 A45 Y48 Q67 C68 Q73 F74 Y75 P123 I125 | I41-F71 HydrophobicContact CG2-CB 4.02Å; I41-F71 HydrophobicContact CG2-CD2 4.1Å; I41-F71 WeakPolarHBondContact O-CD2 3.05Å; I44-F71 HydrophobicContact CB-CB 3.91Å; I44-F71 HydrophobicContact CB-CD2 4.37Å; I44-F71 HydrophobicContact CB-CG 4.07Å; I44-F71 HydrophobicContact CD1-CB 4.18Å; I44-F71 HydrophobicContact CG2-CB 3.62Å; I44-F71 HydrophobicContact CG2-CD1 3.98Å; I44-F71 HydrophobicContact CG2-CG 3.78Å; A45-F71 HydrophobicContact CB-CD2 4.28Å; A45-F71 HydrophobicContact CB-CE2 3.42Å; A45-F71 VanDerWaalsContact CB-CE2 3.42Å; A45-F71 HydrophobicContact CB-CZ 3.74Å; Y48-F71 HydrophobicContact CD2-CD1 4.43Å; Y48-F71 AromaticContact CD2-CE1 3.94Å; Y48-F71 HydrophobicContact CD2-CE1 3.94Å; Y48-F71 AromaticContact CG-CE1 3.8Å; Y48-F71 HydrophobicContact CG-CE1 3.8Å; Q67-F71 PolarHBondContact O-N 3.49Å; C68-F71 WeakPolarHBondContact O-CB 3.34Å; C68-F71 PolarHBondContact O-N 2.81Å; F71-Q73 VanDerWaalsContact C-N 3.26Å; F71-Q73 PolarHBondContact O-N 3.32Å; F71-F74 PolarHBondContact O-N 3.36Å; F71-F74 VanDerWaalsContact O-N 3.15Å; F71-Y75 AromaticContact CD2-CD2 3.34Å; F71-Y75 HydrophobicContact CD2-CD2 3.34Å; F71-Y75 AromaticContact CD2-CE2 3.62Å; F71-Y75 HydrophobicContact CD2-CE2 3.62Å; F71-Y75 HydrophobicContact CD2-CG 4.31Å; F71-Y75 AromaticContact CE2-CD2 3.2Å; F71-Y75 HydrophobicContact CE2-CD2 3.2Å; F71-Y75 AromaticContact CE2-CE2 3.5Å; F71-Y75 HydrophobicContact CE2-CE2 3.5Å; F71-Y75 AromaticContact CE2-CG 3.8Å; F71-Y75 HydrophobicContact CE2-CG 3.8Å; F71-Y75 HydrophobicContact CG-CD2 4.46Å; F71-Y75 HydrophobicContact CZ-CD2 4.27Å; F71-Y75 WeakPolarHBondContact O-CD2 3.47Å; F71-Y75 PolarHBondContact O-N 2.84Å; F71-P123 HydrophobicContact CD1-CG 4.34Å; F71-P123 HydrophobicContact CE1-CB 4.24Å; F71-P123 HydrophobicContact CE1-CG 3.42Å; F71-P123 VanDerWaalsContact CE1-CG 3.42Å; F71-P123 HydrophobicContact CZ-CB 4.2Å; F71-P123 HydrophobicContact CZ-CG 3.67Å; F71-I125 HydrophobicContact CZ-CG2 3.89Å |
| 72 | R | 92.1 | Very high | 87.2 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 4% | 0.038 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | -179.6 | -67.9 | 168 | 69.1 | 170.6 | 13.3 | 112.9 | Y48 N53 C68 Q69 Y75 R76 A117 P118 P119 S121 P123 | Y48-R72 HydrophobicContact CE2-CG 4.24Å; N53-R72 PolarHBondContact O-NH1 2.79Å; C68-R72 VanDerWaalsContact O-CG 3.23Å; C68-R72 WeakPolarHBondContact O-CG 3.44Å; C68-R72 PolarHBondContact O-N 2.67Å; Q69-R72 PolarHBondContact O-N 3.4Å; R72-Y75 CarbonylContact O-C 3.53Å; R72-R76 PolarHBondContact O-N 3.12Å; R72-A117 HydrophobicContact CB-CB 4.17Å; R72-P118 PolarHBondContact NH2-O 2.61Å; R72-P119 VanDerWaalsContact NH1-CA 3.31Å; R72-P119 PolarHBondContact NH1-O 3.2Å; R72-P119 VanDerWaalsContact NH2-CA 3.29Å; R72-P119 PolarHBondContact NH2-O 3.08Å; R72-S121 PolarHBondContact NH2-O 3.47Å; R72-P123 HydrophobicContact CG-CB 4.46Å; R72-P123 HydrophobicContact CG-CG 4.04Å |
| 73 | Q | 92.5 | Very high | 87.6 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.1 | -41.5 | 176.4 | -172.2 | 57.1 | 65 | 0 | 0 | 111.7 | P23 Q69 N70 F71 R76 F113 S115 A117 | P23-Q73 HydrophobicContact CB-CG 4.29Å; Q69-Q73 WeakPolarHBondContact O-CB 3.1Å; Q69-Q73 PolarHBondContact O-N 2.92Å; N70-Q73 PolarHBondContact O-N 3.15Å; F71-Q73 VanDerWaalsContact C-N 3.26Å; F71-Q73 PolarHBondContact O-N 3.32Å; Q73-R76 WeakPolarHBondContact O-CB 3.35Å; Q73-R76 PolarHBondContact O-N 2.95Å; Q73-F113 HydrophobicContact CG-CD2 3.84Å; Q73-F113 HydrophobicContact CG-CE2 4.06Å; Q73-S115 PolarHBondContact NE2-O 3.2Å; Q73-A117 HydrophobicContact CB-CB 4.49Å |
| 74 | F | 92.9 | Very high | 88 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 177.7 | -171.6 | -108.4 | 0 | 0 | 0 | 112.3 | A25 F38 I41 N70 F71 R76 F113 | A25-F74 HydrophobicContact CB-CB 3.74Å; A25-F74 HydrophobicContact CB-CD2 4.02Å; A25-F74 HydrophobicContact CB-CG 4.36Å; F38-F74 HydrophobicContact CB-CE1 3.97Å; F38-F74 HydrophobicContact CB-CE2 4.3Å; F38-F74 HydrophobicContact CB-CZ 3.73Å; F38-F74 HydrophobicContact CD1-CD2 4.07Å; F38-F74 AromaticContact CD1-CE2 3.56Å; F38-F74 HydrophobicContact CD1-CE2 3.56Å; F38-F74 AromaticContact CD1-CZ 3.89Å; F38-F74 HydrophobicContact CD1-CZ 3.89Å; F38-F74 AromaticContact CD2-CE2 3.83Å; F38-F74 HydrophobicContact CD2-CE2 3.83Å; F38-F74 AromaticContact CD2-CZ 3.6Å; F38-F74 HydrophobicContact CD2-CZ 3.6Å; F38-F74 HydrophobicContact CE1-CD2 4.26Å; F38-F74 AromaticContact CE1-CE2 3.74Å; F38-F74 HydrophobicContact CE1-CE2 3.74Å; F38-F74 HydrophobicContact CE1-CZ 4.43Å; F38-F74 AromaticContact CE2-CE2 4Å; F38-F74 HydrophobicContact CE2-CE2 4Å; F38-F74 HydrophobicContact CE2-CZ 4.18Å; F38-F74 HydrophobicContact CG-CD2 4.45Å; F38-F74 HydrophobicContact CG-CE1 4.17Å; F38-F74 AromaticContact CG-CE2 3.61Å; F38-F74 HydrophobicContact CG-CE2 3.61Å; F38-F74 AromaticContact CG-CZ 3.44Å; F38-F74 HydrophobicContact CG-CZ 3.44Å; F38-F74 VanDerWaalsContact CG-CZ 3.44Å; F38-F74 AromaticContact CZ-CE2 3.96Å; F38-F74 HydrophobicContact CZ-CE2 3.96Å; I41-F74 HydrophobicContact CD1-CB 4.22Å; I41-F74 HydrophobicContact CD1-CD2 4.45Å; I41-F74 HydrophobicContact CD1-CG 4.23Å; I41-F74 HydrophobicContact CG2-CB 3.89Å; I41-F74 HydrophobicContact CG2-CD1 3.96Å; I41-F74 HydrophobicContact CG2-CG 4.14Å; N70-F74 PolarHBondContact O-N 3.37Å; F71-F74 PolarHBondContact O-N 3.36Å; F71-F74 VanDerWaalsContact O-N 3.15Å; F74-R76 VanDerWaalsContact C-N 3.27Å; F74-R76 PolarHBondContact O-N 3.02Å; F74-F113 HydrophobicContact CD2-CZ 4.21Å |
| 75 | Y | 91.4 | Very high | 88.3 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 22.5 | 178.2 | -74.2 | -93.5 | 0 | 0 | 0 | 113.3 | I41 S42 F71 R72 Y77 Y124 | I41-Y75 HydrophobicContact CG2-CD2 4.41Å; I41-Y75 HydrophobicContact CG2-CE2 4.12Å; S42-Y75 PolarHBondContact OG-OH 3.16Å; F71-Y75 AromaticContact CD2-CD2 3.34Å; F71-Y75 HydrophobicContact CD2-CD2 3.34Å; F71-Y75 AromaticContact CD2-CE2 3.62Å; F71-Y75 HydrophobicContact CD2-CE2 3.62Å; F71-Y75 HydrophobicContact CD2-CG 4.31Å; F71-Y75 AromaticContact CE2-CD2 3.2Å; F71-Y75 HydrophobicContact CE2-CD2 3.2Å; F71-Y75 AromaticContact CE2-CE2 3.5Å; F71-Y75 HydrophobicContact CE2-CE2 3.5Å; F71-Y75 AromaticContact CE2-CG 3.8Å; F71-Y75 HydrophobicContact CE2-CG 3.8Å; F71-Y75 HydrophobicContact CG-CD2 4.46Å; F71-Y75 HydrophobicContact CZ-CD2 4.27Å; F71-Y75 WeakPolarHBondContact O-CD2 3.47Å; F71-Y75 PolarHBondContact O-N 2.84Å; R72-Y75 CarbonylContact O-C 3.53Å; Y75-Y77 PolarHBondContact O-N 3.45Å; Y75-Y124 WeakPolarHBondContact O-CB 3.24Å; Y75-Y124 PolarHBondContact O-N 3.47Å |
| 76 | R | 88.4 | Confident | 88.7 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | trans | -74.3 | 110.6 | 179.3 | -179.3 | 53.6 | 174.2 | -160.4 | -3.4 | 111.1 | R72 Q73 F74 E78 A79 A117 S121 | R72-R76 PolarHBondContact O-N 3.12Å; Q73-R76 WeakPolarHBondContact O-CB 3.35Å; Q73-R76 PolarHBondContact O-N 2.95Å; F74-R76 VanDerWaalsContact C-N 3.27Å; F74-R76 PolarHBondContact O-N 3.02Å; R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 IonicContact CZ-OE2 3.62Å; R76-E78 IonicContact NE-OE2 2.74Å; R76-E78 IonicContact NH2-OE2 3.75Å; R76-E78 PolarHBondContact NH2-OE2 3.13Å; R76-E78 PolarHBondContact O-N 3.32Å; R76-A79 PolarHBondContact O-N 3.34Å; R76-A117 HydrophobicContact CB-CB 4.37Å; R76-A117 HydrophobicContact CG-CB 4.43Å; R76-S121 PolarHBondContact NH1-OG 2.78Å | ||
| 77 | Y | 79.7 | Confident | 89.1 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.5 | 179.9 | 58.5 | -89.6 | 0 | 0 | 0 | 115 | Y75 A79 M136 C137 P138 | Y75-Y77 PolarHBondContact O-N 3.45Å; Y77-A79 VanDerWaalsContact C-N 3.29Å; Y77-A79 PolarHBondContact O-N 2.71Å; Y77-M136 HydrophobicContact CE1-SD 4.19Å; Y77-C137 PolarHBondContact OH-O 2.04Å; Y77-P138 HydrophobicContact CE2-CB 3.99Å |
| 78 | E | 78.3 | Confident | 89.5 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 7.1 | 179.2 | -57 | -164 | 127.4 | 0 | 0 | 114.2 | R76 H80 S115 P138 T139 | R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 IonicContact CZ-OE2 3.62Å; R76-E78 IonicContact NE-OE2 2.74Å; R76-E78 IonicContact NH2-OE2 3.75Å; R76-E78 PolarHBondContact NH2-OE2 3.13Å; R76-E78 PolarHBondContact O-N 3.32Å; E78-H80 PolarHBondContact O-N 2.85Å; E78-S115 PolarHBondContact O-OG 2.91Å; E78-P138 HydrophobicContact CG-CB 4.24Å; E78-P138 VanDerWaalsContact OE1-C 3.3Å; E78-P138 WeakPolarHBondContact OE1-CA 2.78Å; E78-P138 WeakPolarHBondContact OE1-CB 3.42Å; E78-T139 WeakPolarHBondContact OE1-CB 3.04Å; E78-T139 PolarHBondContact OE1-N 3.17Å; E78-T139 PolarHBondContact OE1-OG1 3.22Å; E78-T139 PolarHBondContact OE2-OG1 3.03Å |
| 79 | A | 77.2 | Confident | 89.6 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | trans | -75.7 | 94.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R76 Y77 E81 V82 F113 | R76-A79 PolarHBondContact O-N 3.34Å; Y77-A79 VanDerWaalsContact C-N 3.29Å; Y77-A79 PolarHBondContact O-N 2.71Å; A79-E81 VanDerWaalsContact C-N 3.26Å; A79-E81 PolarHBondContact O-N 2.8Å; A79-V82 HydrophobicContact CB-CG2 4Å; A79-F113 HydrophobicContact CB-CB 4.28Å; A79-F113 HydrophobicContact CB-CD1 3.6Å; A79-F113 HydrophobicContact CB-CE1 4.47Å; A79-F113 HydrophobicContact CB-CG 4.41Å | ||
| 80 | H | 79.6 | Confident | 89.6 | Confident | 135 Ų | 135 | 51.6 Ų | 51.6 | 63% | 0.625 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -66.1 | -28.6 | 178.4 | -60.3 | -60.6 | 0 | 0 | 0 | 113.5 | E78 S114 Q140 | E78-H80 PolarHBondContact O-N 2.85Å; H80-S114 PolarHBondContact N-OG 3.18Å; H80-Q140 PolarHBondContact NE2-NE2 3.34Å |
| 81 | E | 85.5 | Confident | 89.4 | Confident | 131 Ų | 131 | 55.1 Ų | 55.1 | 61% | 0.612 | 27% | 0.274 | S | S | * | . | trans | -133.8 | 138.1 | 175.8 | -63.7 | -175.7 | 178.1 | 0 | 0 | 110.7 | M1 A79 S114 | M1-E81 HydrophobicContact CE-CB 4.11Å; M1-E81 HydrophobicContact SD-CB 4.34Å; M1-E81 VanDerWaalsContact SD-O 3.38Å; A79-E81 VanDerWaalsContact C-N 3.26Å; A79-E81 PolarHBondContact O-N 2.8Å; E81-S114 PolarHBondContact N-OG 3.02Å; E81-S114 PolarHBondContact O-N 3.38Å; E81-S114 PolarHBondContact O-OG 3.14Å | ||
| 82 | V | 91.4 | Very high | 89.2 | Confident | 76 Ų | 76 | 56.2 Ų | 56.2 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.3 | 177.1 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | A79 C111 A112 F113 | A79-V82 HydrophobicContact CB-CG2 4Å; V82-C111 HydrophobicContact CG1-CB 4.24Å; V82-A112 WeakPolarHBondContact CA-O 3.43Å; V82-F113 HydrophobicContact CB-CD1 4.38Å; V82-F113 HydrophobicContact CB-CE1 4.49Å; V82-F113 HydrophobicContact CG1-CD1 4.09Å; V82-F113 HydrophobicContact CG1-CE1 3.85Å; V82-F113 HydrophobicContact CG1-CZ 4.3Å; V82-F113 HydrophobicContact CG2-CD1 3.54Å; V82-F113 HydrophobicContact CG2-CE1 3.77Å |
| 83 | G | 93.6 | Very high | 88.9 | Confident | 9 Ų | 9 | 60 Ų | 60 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 125.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A5 A112 | A5-G83 WeakPolarHBondContact CB-O 3.38Å; G83-A112 PolarHBondContact N-O 3.09Å; G83-A112 PolarHBondContact O-N 3.06Å |
| 84 | C | 94.6 | Very high | 88.4 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 157 | -178.7 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | V110 C111 | C84-V110 CarbonylContact C-O 3.59Å; C84-V110 WeakPolarHBondContact CA-O 3.34Å; C84-C111 HydrophobicContact CB-CB 4.12Å; C84-C111 WeakPolarHBondContact CB-SG 3.46Å; C84-C111 WeakPolarHBondContact SG-CB 3.49Å; C84-C111 CovalentContact SG-SG 2.05Å; C84-C111 PolarHBondContact SG-SG 3.19Å |
| 85 | A | 94.7 | Very high | 87.3 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 160.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A5 Q6 V110 | A5-A85 VanDerWaalsContact C-CB 3.5Å; A5-A85 HydrophobicContact CB-CB 3.82Å; Q6-A85 VanDerWaalsContact CA-CB 3.41Å; Q6-A85 HydrophobicContact CB-CB 3.8Å; A85-V110 PolarHBondContact N-O 3.04Å; A85-V110 PolarHBondContact O-N 2.92Å |
| 86 | L | 94.5 | Very high | 86.2 | Confident | 43 Ų | 43 | 72 Ų | 72 | 23% | 0.225 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.6 | 177.7 | 175.1 | 63 | 0 | 0 | 0 | 108.7 | Q6 E32 F107 L108 W109 | Q6-L86 PolarHBondContact NE2-O 3.49Å; Q6-L86 PolarHBondContact OE1-O 3.47Å; E32-L86 HydrophobicContact CB-CD2 4.06Å; E32-L86 HydrophobicContact CG-CD2 4.11Å; L86-F107 HydrophobicContact CD1-CB 3.76Å; L86-F107 HydrophobicContact CD1-CD1 4.06Å; L86-F107 HydrophobicContact CD1-CG 4.34Å; L86-F107 HydrophobicContact CD2-CD1 4.3Å; L86-F107 HydrophobicContact CG-CD1 4.38Å; L86-L108 WeakPolarHBondContact CA-O 3.32Å; L86-W109 HydrophobicContact CB-CD2 4.26Å; L86-W109 HydrophobicContact CB-CE3 4.13Å; L86-W109 HydrophobicContact CB-CH2 4.23Å; L86-W109 HydrophobicContact CB-CZ2 4.35Å; L86-W109 HydrophobicContact CB-CZ3 4.12Å; L86-W109 HydrophobicContact CD1-CD2 3.8Å; L86-W109 HydrophobicContact CD1-CG 3.94Å; L86-W109 HydrophobicContact CD1-CZ2 4.07Å; L86-W109 HydrophobicContact CD2-CH2 4.17Å; L86-W109 HydrophobicContact CD2-CZ2 3.77Å; L86-W109 HydrophobicContact CG-CD2 4.5Å; L86-W109 HydrophobicContact CG-CZ2 4.27Å |
| 87 | S | 95.4 | Very high | 85.1 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.1 | 167.6 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | A9 N10 F107 L108 | A9-S87 VanDerWaalsContact O-CB 3.27Å; A9-S87 WeakPolarHBondContact O-CB 3.42Å; N10-S87 PolarHBondContact OD1-OG 3.21Å; S87-F107 WeakPolarHBondContact O-CA 3.06Å; S87-L108 PolarHBondContact N-O 3.26Å; S87-L108 PolarHBondContact O-N 3.06Å |
| 88 | K | 95.2 | Very high | 84.2 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 61% | 0.613 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.7 | 167.7 | -172.3 | 179.7 | 179.4 | 179.3 | 0 | 108.2 | P106 F107 | K88-P106 CarbonylContact C-O 3.51Å; K88-P106 WeakPolarHBondContact CA-O 3.46Å; K88-P106 HydrophobicContact CG-CB 4.38Å; K88-F107 HydrophobicContact CB-CD1 3.97Å; K88-F107 HydrophobicContact CB-CE1 3.69Å; K88-F107 HydrophobicContact CD-CE1 3.84Å; K88-F107 HydrophobicContact CD-CZ 3.99Å; K88-F107 HydrophobicContact CG-CD1 4.14Å; K88-F107 HydrophobicContact CG-CE1 3.65Å; K88-F107 HydrophobicContact CG-CZ 4.11Å |
| 89 | C | 92.3 | Very high | 83.4 | Confident | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.014 | 40% | 0.399 | C | S | . | . | trans | -112.5 | 130.2 | -174.6 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | C12 K91 I92 P106 | C12-C89 WeakPolarHBondContact CA-SG 3.45Å; C12-C89 HydrophobicContact CB-CB 3.66Å; C12-C89 WeakPolarHBondContact CB-SG 3.38Å; C12-C89 VanDerWaalsContact SG-CA 3.53Å; C12-C89 WeakPolarHBondContact SG-CB 3.41Å; C12-C89 CovalentContact SG-SG 2.03Å; C12-C89 PolarHBondContact SG-SG 3.04Å; C89-K91 PolarHBondContact O-N 3.4Å; C89-I92 HydrophobicContact CB-CD1 4.46Å; C89-I92 HydrophobicContact CB-CG1 3.68Å; C89-P106 PolarHBondContact N-O 3Å; C89-P106 WeakPolarHBondContact O-CB 3.05Å | ||
| 90 | D | 89.5 | Confident | 82.6 | Confident | 177 Ų | 177 | 84.6 Ų | 84.6 | 95% | 0.947 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -65.7 | -34.3 | 170.8 | -63.6 | -34.8 | 0 | 0 | 0 | 111 | ||
| 91 | K | 86.9 | Confident | 81.7 | Confident | 104 Ų | 104 | 80 Ų | 80 | 45% | 0.452 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -145.1 | 131.3 | 174.7 | -173.2 | 171.8 | 179.3 | 170 | 0 | 109.9 | C89 E95 | C89-K91 PolarHBondContact O-N 3.4Å; K91-E95 WeakPolarHBondContact CE-OE1 3.16Å; K91-E95 WeakPolarHBondContact CE-OE2 3.14Å; K91-E95 IonicContact NZ-OE1 2.8Å; K91-E95 PolarHBondContact NZ-OE1 3.24Å; K91-E95 IonicContact NZ-OE2 2.74Å; K91-E95 PolarHBondContact NZ-OE2 2.84Å |
| 92 | I | 87.2 | Confident | 80.4 | Confident | 23 Ų | 23 | 79.3 Ų | 79.3 | 12% | 0.118 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -96.8 | 131.6 | 173 | -61.2 | 179.7 | 0 | 0 | 0 | 108.7 | C12 V28 C89 G105 L108 | C12-I92 CarbonylContact O-C 3.57Å; C12-I92 WeakPolarHBondContact O-CA 3.35Å; V28-I92 HydrophobicContact CB-CD1 4.4Å; V28-I92 HydrophobicContact CG1-CD1 3.6Å; V28-I92 HydrophobicContact CG2-CD1 4.01Å; V28-I92 HydrophobicContact CG2-CG2 4.2Å; C89-I92 HydrophobicContact CB-CD1 4.46Å; C89-I92 HydrophobicContact CB-CG1 3.68Å; I92-G105 WeakPolarHBondContact CD1-O 3.35Å; I92-L108 HydrophobicContact CD1-CB 4.41Å; I92-L108 HydrophobicContact CD1-CD1 4.4Å; I92-L108 HydrophobicContact CG2-CD1 4.39Å |
| 93 | L | 85.7 | Confident | 78.9 | Confident | 90 Ų | 90 | 76.4 Ų | 76.4 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -100.9 | 147.5 | 178.9 | -63.6 | 175.5 | 0 | 0 | 0 | 111 | C12 S13 S14 | C12-L93 PolarHBondContact O-N 3.1Å; S13-L93 CarbonylContact C-O 3.44Å; S13-L93 WeakPolarHBondContact CA-O 3.29Å; S14-L93 PolarHBondContact N-O 2.69Å; S14-L93 PolarHBondContact OG-O 3.28Å |
| 94 | P | 81.4 | Confident | 77.6 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 28% | 0.279 | 41% | 0.406 | S | S | . | . | S | Bend | cis | -70.3 | 149.9 | -8 | 30.1 | -35.9 | 0 | 0 | 0 | 112.3 | L15 K96 | L15-P94 HydrophobicContact CD1-CG 4.22Å; L15-P94 HydrophobicContact CG-CG 4.45Å; P94-K96 VanDerWaalsContact C-N 3.25Å; P94-K96 WeakPolarHBondContact CG-O 3.18Å; P94-K96 CarbonylContact O-C 3.59Å; P94-K96 PolarHBondContact O-N 3.36Å |
| 95 | E | 70.8 | Confident | 76.7 | Confident | 150 Ų | 150 | 78.8 Ų | 78.8 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -61.8 | -34.5 | -179.5 | -177.1 | 165.2 | -142.5 | 0 | 0 | 112.5 | K91 L97 | K91-E95 WeakPolarHBondContact CE-OE1 3.16Å; K91-E95 WeakPolarHBondContact CE-OE2 3.14Å; K91-E95 IonicContact NZ-OE1 2.8Å; K91-E95 PolarHBondContact NZ-OE1 3.24Å; K91-E95 IonicContact NZ-OE2 2.74Å; K91-E95 PolarHBondContact NZ-OE2 2.84Å; E95-L97 PolarHBondContact O-N 3.23Å |
| 96 | K | 68.9 | Low | 76.4 | Confident | 180 Ų | 180 | 80.7 Ų | 80.7 | 78% | 0.783 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -87.8 | 98 | 165.3 | -168.6 | 177.7 | -178.3 | -176.2 | 0 | 107.7 | P94 | P94-K96 VanDerWaalsContact C-N 3.25Å; P94-K96 WeakPolarHBondContact CG-O 3.18Å; P94-K96 CarbonylContact O-C 3.59Å; P94-K96 PolarHBondContact O-N 3.36Å |
| 97 | L | 63.8 | Low | 76.2 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | trans | -56.9 | 143.8 | 170.6 | -67.1 | 173.4 | 0 | 0 | 0 | 109.4 | E95 Q101 | E95-L97 PolarHBondContact O-N 3.23Å; L97-Q101 HydrophobicContact CB-CB 4.24Å | ||
| 98 | P | 60.9 | Low | 76.1 | Confident | 36 Ų | 36 | 78.7 Ų | 78.7 | 23% | 0.234 | 40% | 0.395 | C | S | . | . | trans | -44.4 | 142.3 | 164.7 | -26.4 | 30.7 | 0 | 0 | 0 | 111.2 | R100 Q101 | P98-R100 PolarHBondContact O-N 3.18Å; P98-Q101 VanDerWaalsContact CD-OE1 3.29Å; P98-Q101 WeakPolarHBondContact O-CB 3.45Å; P98-Q101 PolarHBondContact O-N 2.81Å | ||
| 99 | E | 62.2 | Low | 76 | Confident | 158 Ų | 158 | 73.7 Ų | 73.7 | 74% | 0.738 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 138.8 | 176.1 | -73.4 | -176.8 | 176 | 0 | 0 | 110.4 | Q67 Q101 | Q67-E99 PolarHBondContact NE2-O 3.05Å; Q67-E99 VanDerWaalsContact NE2-O 3.1Å; E99-Q101 VanDerWaalsContact C-N 3.26Å; E99-Q101 PolarHBondContact O-N 3.37Å |
| 100 | R | 60.7 | Low | 76.1 | Confident | 148 Ų | 148 | 73.6 Ų | 73.6 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 12.4 | 178.1 | -52.1 | 175.1 | 176.6 | 179.3 | -4.5 | 116.3 | V62 F63 P98 L102 | V62-R100 WeakPolarHBondContact O-CD 3.47Å; V62-R100 PolarHBondContact O-NH1 3.33Å; V62-R100 VanDerWaalsContact O-NH1 3.13Å; F63-R100 HydrophobicContact CD1-CB 4.49Å; F63-R100 HydrophobicContact CE1-CB 3.95Å; P98-R100 PolarHBondContact O-N 3.18Å; R100-L102 PolarHBondContact O-N 3.15Å |
| 101 | Q | 61.1 | Low | 76.3 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | trans | -71 | 102.8 | 165.8 | -168.4 | 160.7 | 6.7 | 0 | 0 | 109.4 | L97 P98 E99 V103 | L97-Q101 HydrophobicContact CB-CB 4.24Å; P98-Q101 VanDerWaalsContact CD-OE1 3.29Å; P98-Q101 WeakPolarHBondContact O-CB 3.45Å; P98-Q101 PolarHBondContact O-N 2.81Å; E99-Q101 VanDerWaalsContact C-N 3.26Å; E99-Q101 PolarHBondContact O-N 3.37Å; Q101-V103 PolarHBondContact O-N 2.92Å; Q101-V103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | L | 56.7 | Low | 76.8 | Confident | 117 Ų | 117 | 60.3 Ų | 60.3 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | trans | -74.5 | 7.2 | -164.2 | -85.5 | 161.2 | 0 | 0 | 0 | 116.4 | D43 R100 | D43-L102 HydrophobicContact CB-CD1 4.29Å; D43-L102 WeakPolarHBondContact OD2-CD1 3.14Å; R100-L102 PolarHBondContact O-N 3.15Å | ||
| 103 | V | 59.9 | Low | 77 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | trans | -137.4 | 118.7 | -174.7 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | V28 E30 Q101 | V28-V103 HydrophobicContact CB-CB 4.46Å; V28-V103 HydrophobicContact CG1-CG1 4.41Å; V28-V103 WeakPolarHBondContact CG1-O 3.5Å; V28-V103 VanDerWaalsContact O-CB 3.24Å; V28-V103 WeakPolarHBondContact O-CB 3.34Å; V28-V103 WeakPolarHBondContact O-CG1 3.11Å; E30-V103 HydrophobicContact CG-CG1 4.14Å; Q101-V103 PolarHBondContact O-N 2.92Å; Q101-V103 VanDerWaalsContact O-N 3.09Å | ||
| 104 | S | 67.5 | Low | 77.2 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 69% | 0.685 | 30% | 0.296 | S | S | * | . | trans | -108.9 | 119.1 | 170.2 | 172.5 | 0 | 0 | 0 | 0 | 107.6 | E30 | E30-S104 WeakPolarHBondContact CG-O 3.42Š| ||
| 105 | G | 74.7 | Confident | 77.5 | Confident | 18 Ų | 18 | 57 Ų | 57 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -169 | 168 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A29 I92 F107 | A29-G105 CarbonylContact O-C 3.57Å; A29-G105 WeakPolarHBondContact O-CA 3.4Å; I92-G105 WeakPolarHBondContact CD1-O 3.35Å; G105-F107 VanDerWaalsContact C-N 3.26Å; G105-F107 PolarHBondContact O-N 3.31Å |
| 106 | P | 88.5 | Confident | 78.3 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 31% | 0.312 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -83.5 | -3.7 | -178.8 | 33.1 | -32.6 | 0 | 0 | 0 | 112.1 | K88 C89 | K88-P106 CarbonylContact C-O 3.51Å; K88-P106 WeakPolarHBondContact CA-O 3.46Å; K88-P106 HydrophobicContact CG-CB 4.38Å; C89-P106 PolarHBondContact N-O 3Å; C89-P106 WeakPolarHBondContact O-CB 3.05Å |
| 107 | F | 91.2 | Very high | 79.3 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.5 | -173.6 | -64.2 | -77.1 | 0 | 0 | 0 | 111.9 | V28 A29 N31 E32 L86 S87 K88 G105 | V28-F107 CarbonylContact C-O 3.52Å; V28-F107 WeakPolarHBondContact CA-O 3.48Å; A29-F107 HydrophobicContact CB-CB 4.24Å; A29-F107 PolarHBondContact N-O 2.9Å; A29-F107 WeakPolarHBondContact O-CB 3.24Å; A29-F107 PolarHBondContact O-N 2.04Å; N31-F107 VanDerWaalsContact C-CD2 3.49Å; N31-F107 VanDerWaalsContact CA-CD2 3.41Å; E32-F107 HydrophobicContact CG-CD1 3.69Å; E32-F107 HydrophobicContact CG-CD2 4.43Å; E32-F107 HydrophobicContact CG-CE1 3.15Å; E32-F107 HydrophobicContact CG-CE2 3.98Å; E32-F107 HydrophobicContact CG-CG 4.3Å; E32-F107 HydrophobicContact CG-CZ 3.31Å; E32-F107 VanDerWaalsContact OE1-CE1 3.23Å; E32-F107 WeakPolarHBondContact OE1-CE1 3.36Å; E32-F107 WeakPolarHBondContact OE1-CZ 3.41Å; L86-F107 HydrophobicContact CD1-CB 3.76Å; L86-F107 HydrophobicContact CD1-CD1 4.06Å; L86-F107 HydrophobicContact CD1-CG 4.34Å; L86-F107 HydrophobicContact CD2-CD1 4.3Å; L86-F107 HydrophobicContact CG-CD1 4.38Å; S87-F107 WeakPolarHBondContact O-CA 3.06Å; K88-F107 HydrophobicContact CB-CD1 3.97Å; K88-F107 HydrophobicContact CB-CE1 3.69Å; K88-F107 HydrophobicContact CD-CE1 3.84Å; K88-F107 HydrophobicContact CD-CZ 3.99Å; K88-F107 HydrophobicContact CG-CD1 4.14Å; K88-F107 HydrophobicContact CG-CE1 3.65Å; K88-F107 HydrophobicContact CG-CZ 4.11Å; G105-F107 VanDerWaalsContact C-N 3.26Å; G105-F107 PolarHBondContact O-N 3.31Å |
| 108 | L | 92.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.1 | 176.8 | -168.1 | 71.8 | 0 | 0 | 0 | 109.9 | S13 I26 V28 L86 S87 I92 V110 | S13-L108 WeakPolarHBondContact O-CD2 3.33Å; I26-L108 HydrophobicContact CG2-CD1 3.5Å; I26-L108 VanDerWaalsContact CG2-CD1 3.5Å; I26-L108 HydrophobicContact CG2-CD2 4.43Å; I26-L108 HydrophobicContact CG2-CG 4.05Å; V28-L108 HydrophobicContact CG2-CD1 3.88Å; L86-L108 WeakPolarHBondContact CA-O 3.32Å; S87-L108 PolarHBondContact N-O 3.26Å; S87-L108 PolarHBondContact O-N 3.06Å; I92-L108 HydrophobicContact CD1-CB 4.41Å; I92-L108 HydrophobicContact CD1-CD1 4.4Å; I92-L108 HydrophobicContact CG2-CD1 4.39Å; L108-V110 HydrophobicContact CD2-CG2 4.4Å; L108-V110 HydrophobicContact CG-CG2 4.33Å |
| 109 | W | 93.4 | Very high | 81.3 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.9 | 172.9 | -72.4 | 90.1 | 0 | 0 | 0 | 110.1 | I26 S27 E32 A37 F38 L86 | I26-W109 CarbonylContact C-O 3.49Å; I26-W109 WeakPolarHBondContact CA-O 2.98Å; S27-W109 PolarHBondContact N-O 3.25Å; S27-W109 PolarHBondContact O-N 3.1Å; E32-W109 WeakPolarHBondContact O-CZ2 3.36Å; A37-W109 HydrophobicContact CB-CD2 3.7Å; A37-W109 HydrophobicContact CB-CE3 4.43Å; A37-W109 HydrophobicContact CB-CG 3.78Å; A37-W109 HydrophobicContact CB-CZ2 4.09Å; F38-W109 HydrophobicContact CE1-CB 3.87Å; F38-W109 HydrophobicContact CZ-CB 3.85Å; F38-W109 HydrophobicContact CZ-CE3 4.35Å; F38-W109 HydrophobicContact CZ-CG 4.4Å; L86-W109 HydrophobicContact CB-CD2 4.26Å; L86-W109 HydrophobicContact CB-CE3 4.13Å; L86-W109 HydrophobicContact CB-CH2 4.23Å; L86-W109 HydrophobicContact CB-CZ2 4.35Å; L86-W109 HydrophobicContact CB-CZ3 4.12Å; L86-W109 HydrophobicContact CD1-CD2 3.8Å; L86-W109 HydrophobicContact CD1-CG 3.94Å; L86-W109 HydrophobicContact CD1-CZ2 4.07Å; L86-W109 HydrophobicContact CD2-CH2 4.17Å; L86-W109 HydrophobicContact CD2-CZ2 3.77Å; L86-W109 HydrophobicContact CG-CD2 4.5Å; L86-W109 HydrophobicContact CG-CZ2 4.27Å |
| 110 | V | 94.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.9 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | A5 V8 A9 V24 A25 I26 C84 A85 L108 | A5-V110 HydrophobicContact CB-CB 4.33Å; A5-V110 HydrophobicContact CB-CG1 4.08Å; V8-V110 HydrophobicContact CB-CG1 4.07Å; V8-V110 HydrophobicContact CG1-CG1 3.92Å; V8-V110 HydrophobicContact CG1-CG2 4.15Å; A9-V110 HydrophobicContact CB-CB 4.21Å; A9-V110 HydrophobicContact CB-CG2 3.7Å; V24-V110 HydrophobicContact CB-CG1 4.09Å; V24-V110 HydrophobicContact CG1-CG1 4.05Å; A25-V110 WeakPolarHBondContact O-CA 3.23Å; I26-V110 HydrophobicContact CG1-CG1 4.32Å; I26-V110 HydrophobicContact CG1-CG2 4.15Å; I26-V110 HydrophobicContact CG2-CG2 4.28Å; C84-V110 CarbonylContact C-O 3.59Å; C84-V110 WeakPolarHBondContact CA-O 3.34Å; A85-V110 PolarHBondContact N-O 3.04Å; A85-V110 PolarHBondContact O-N 2.92Å; L108-V110 HydrophobicContact CD2-CG2 4.4Å; L108-V110 HydrophobicContact CG-CG2 4.33Å |
| 111 | C | 94.9 | Very high | 83.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.9 | 167.5 | -67.9 | 0 | 0 | 0 | 0 | 109 | V24 A25 F38 V82 C84 F113 | V24-C111 CarbonylContact C-O 3.56Å; V24-C111 WeakPolarHBondContact CA-O 3.09Å; A25-C111 PolarHBondContact N-O 3.45Å; A25-C111 PolarHBondContact O-N 3.2Å; F38-C111 WeakPolarHBondContact CZ-SG 2.98Å; V82-C111 HydrophobicContact CG1-CB 4.24Å; C84-C111 HydrophobicContact CB-CB 4.12Å; C84-C111 WeakPolarHBondContact CB-SG 3.46Å; C84-C111 WeakPolarHBondContact SG-CB 3.49Å; C84-C111 CovalentContact SG-SG 2.05Å; C84-C111 PolarHBondContact SG-SG 3.19Å; C111-F113 HydrophobicContact CB-CE2 3.75Å; C111-F113 HydrophobicContact CB-CZ 3.78Å; C111-F113 WeakPolarHBondContact O-CD2 3.4Å; C111-F113 WeakPolarHBondContact O-CE2 3.44Å |
| 112 | A | 95.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 146.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | M1 Y4 A5 P23 V24 V82 G83 | M1-A112 HydrophobicContact CG-CB 3.52Å; M1-A112 WeakPolarHBondContact CG-O 3.37Å; M1-A112 HydrophobicContact SD-CB 4.44Å; Y4-A112 HydrophobicContact CD1-CB 4.06Å; A5-A112 HydrophobicContact CB-CB 4.14Å; P23-A112 CarbonylContact O-C 3.58Å; P23-A112 WeakPolarHBondContact O-CA 3.42Å; V24-A112 HydrophobicContact CG1-CB 4.08Å; V82-A112 WeakPolarHBondContact CA-O 3.43Å; G83-A112 PolarHBondContact N-O 3.09Å; G83-A112 PolarHBondContact O-N 3.06Å |
| 113 | F | 93.1 | Very high | 85.9 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 155.7 | -174.7 | -57.2 | -99 | 0 | 0 | 0 | 111.2 | M1 P23 A25 Q73 F74 A79 V82 C111 | M1-F113 VanDerWaalsContact SD-C 3.56Å; M1-F113 VanDerWaalsContact SD-CA 3.59Å; P23-F113 VanDerWaalsContact CD-O 3.25Å; P23-F113 WeakPolarHBondContact CD-O 2.96Å; P23-F113 HydrophobicContact CG-CB 4.16Å; P23-F113 WeakPolarHBondContact CG-O 3.38Å; P23-F113 PolarHBondContact O-N 3.19Å; A25-F113 HydrophobicContact CB-CE2 3.7Å; A25-F113 HydrophobicContact CB-CZ 4.21Å; Q73-F113 HydrophobicContact CG-CD2 3.84Å; Q73-F113 HydrophobicContact CG-CE2 4.06Å; F74-F113 HydrophobicContact CD2-CZ 4.21Å; A79-F113 HydrophobicContact CB-CB 4.28Å; A79-F113 HydrophobicContact CB-CD1 3.6Å; A79-F113 HydrophobicContact CB-CE1 4.47Å; A79-F113 HydrophobicContact CB-CG 4.41Å; V82-F113 HydrophobicContact CB-CD1 4.38Å; V82-F113 HydrophobicContact CB-CE1 4.49Å; V82-F113 HydrophobicContact CG1-CD1 4.09Å; V82-F113 HydrophobicContact CG1-CE1 3.85Å; V82-F113 HydrophobicContact CG1-CZ 4.3Å; V82-F113 HydrophobicContact CG2-CD1 3.54Å; V82-F113 HydrophobicContact CG2-CE1 3.77Å; C111-F113 HydrophobicContact CB-CE2 3.75Å; C111-F113 HydrophobicContact CB-CZ 3.78Å; C111-F113 WeakPolarHBondContact O-CD2 3.4Å; C111-F113 WeakPolarHBondContact O-CE2 3.44Å |
| 114 | S | 89.2 | Confident | 87.2 | Confident | 51 Ų | 51 | 42 Ų | 42 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -72.8 | -28.2 | 174.9 | 36.8 | 0 | 0 | 0 | 0 | 113.6 | H80 E81 | H80-S114 PolarHBondContact N-OG 3.18Å; E81-S114 PolarHBondContact N-OG 3.02Å; E81-S114 PolarHBondContact O-N 3.38Å; E81-S114 PolarHBondContact O-OG 3.14Å |
| 115 | S | 86.7 | Confident | 87.8 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -128.2 | 137.8 | -175.7 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | P23 Q73 E78 | P23-S115 VanDerWaalsContact CG-C 3.46Å; P23-S115 WeakPolarHBondContact CG-O 3.47Å; Q73-S115 PolarHBondContact NE2-O 3.2Å; E78-S115 PolarHBondContact O-OG 2.91Å |
| 116 | R | 88.9 | Confident | 87.7 | Confident | 142 Ų | 142 | 44.1 Ų | 44.1 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | trans | -79.3 | 137.4 | 175.8 | -176 | 175.4 | -70 | -108.1 | 3.2 | 108.9 | P23 P118 | P23-R116 HydrophobicContact CB-CB 4.02Å; P23-R116 HydrophobicContact CB-CG 4.26Å; P23-R116 HydrophobicContact CG-CB 4.07Å; R116-P118 WeakPolarHBondContact O-CD 3.49Å | ||
| 117 | A | 89.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | trans | -68.3 | 112.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q69 R72 Q73 R76 | Q69-A117 PolarHBondContact NE2-O 3.02Å; R72-A117 HydrophobicContact CB-CB 4.17Å; Q73-A117 HydrophobicContact CB-CB 4.49Å; R76-A117 HydrophobicContact CB-CB 4.37Å; R76-A117 HydrophobicContact CG-CB 4.43Å | ||
| 118 | P | 85.1 | Confident | 85.9 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 20% | 0.201 | 25% | 0.25 | C | S | . | . | trans | -64.7 | 137.8 | 174.4 | -14.6 | 27.3 | 0 | 0 | 0 | 111.4 | R72 R116 E120 S121 | R72-P118 PolarHBondContact NH2-O 2.61Å; R116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-E120 VanDerWaalsContact CB-CD 3.48Å; P118-E120 HydrophobicContact CB-CG 4.5Å; P118-E120 WeakPolarHBondContact CB-OE1 3.29Å; P118-E120 PolarHBondContact O-N 3.07Å; P118-E120 VanDerWaalsContact O-N 3.16Å; P118-S121 VanDerWaalsContact CD-OG 3.23Å; P118-S121 WeakPolarHBondContact CD-OG 3.4Å; P118-S121 PolarHBondContact O-N 3.16Å; P118-S121 VanDerWaalsContact O-N 3.13Å; P118-S121 PolarHBondContact O-OG 2.9Å; P118-S121 VanDerWaalsContact O-OG 3.08Å | ||
| 119 | P | 82 | Confident | 84.9 | Confident | 84 Ų | 84 | 56 Ų | 56 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.6 | -176.2 | 26.6 | -34.6 | 0 | 0 | 0 | 114.8 | N53 R72 | N53-P119 WeakPolarHBondContact CB-O 3.43Å; R72-P119 VanDerWaalsContact NH1-CA 3.31Å; R72-P119 PolarHBondContact NH1-O 3.2Å; R72-P119 VanDerWaalsContact NH2-CA 3.29Å; R72-P119 PolarHBondContact NH2-O 3.08Å |
| 120 | E | 80.6 | Confident | 84 | Confident | 127 Ų | 127 | 57.4 Ų | 57.4 | 59% | 0.593 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -12.1 | 177.4 | 67.2 | -77.7 | 179.2 | 0 | 0 | 114.1 | N53 P118 | N53-E120 PolarHBondContact ND2-O 3.45Å; P118-E120 VanDerWaalsContact CB-CD 3.48Å; P118-E120 HydrophobicContact CB-CG 4.5Å; P118-E120 WeakPolarHBondContact CB-OE1 3.29Å; P118-E120 PolarHBondContact O-N 3.07Å; P118-E120 VanDerWaalsContact O-N 3.16Å |
| 121 | S | 82.1 | Confident | 83.3 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -109.4 | 138.2 | -173.9 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | R72 R76 P118 | R72-S121 PolarHBondContact NH2-O 3.47Å; R76-S121 PolarHBondContact NH1-OG 2.78Å; P118-S121 VanDerWaalsContact CD-OG 3.23Å; P118-S121 WeakPolarHBondContact CD-OG 3.4Å; P118-S121 PolarHBondContact O-N 3.16Å; P118-S121 VanDerWaalsContact O-N 3.13Å; P118-S121 PolarHBondContact O-OG 2.9Å; P118-S121 VanDerWaalsContact O-OG 3.08Å |
| 122 | P | 86.1 | Confident | 82.7 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | trans | -76.2 | 155.5 | -174.2 | 29.3 | -32.4 | 0 | 0 | 0 | 112.6 | Y48 L135 M136 | Y48-P122 HydrophobicContact CE1-CB 4.11Å; Y48-P122 VanDerWaalsContact OH-CA 3.32Å; Y48-P122 WeakPolarHBondContact OH-CA 3.42Å; Y48-P122 WeakPolarHBondContact OH-CB 3.41Å; P122-L135 HydrophobicContact CG-CD1 3.82Å; P122-L135 HydrophobicContact CG-CD2 4.16Å; P122-L135 HydrophobicContact CG-CG 3.66Å; P122-M136 HydrophobicContact CB-CE 3.52Å; P122-M136 HydrophobicContact CB-SD 4.37Å; P122-M136 HydrophobicContact CG-CE 3.4Å; P122-M136 HydrophobicContact CG-SD 3.86Å | ||
| 123 | P | 89 | Confident | 81.9 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | trans | -70.5 | 171.6 | 169 | 24.7 | -23 | 0 | 0 | 0 | 111.6 | Y48 F71 R72 I125 M136 | Y48-P123 HydrophobicContact CD1-CG 4.27Å; Y48-P123 HydrophobicContact CD2-CG 4.43Å; Y48-P123 HydrophobicContact CE1-CG 4.15Å; Y48-P123 HydrophobicContact CE2-CG 4.37Å; Y48-P123 HydrophobicContact CG-CG 4.37Å; F71-P123 HydrophobicContact CD1-CG 4.34Å; F71-P123 HydrophobicContact CE1-CB 4.24Å; F71-P123 HydrophobicContact CE1-CG 3.42Å; F71-P123 VanDerWaalsContact CE1-CG 3.42Å; F71-P123 HydrophobicContact CZ-CB 4.2Å; F71-P123 HydrophobicContact CZ-CG 3.67Å; R72-P123 HydrophobicContact CG-CB 4.46Å; R72-P123 HydrophobicContact CG-CG 4.04Å; P123-I125 HydrophobicContact CB-CG2 4.34Å; P123-I125 HydrophobicContact CG-CG2 3.95Å; P123-I125 PolarHBondContact O-N 3.27Å; P123-M136 VanDerWaalsContact O-CE 3.22Å; P123-M136 WeakPolarHBondContact O-CE 3.37Å; P123-M136 VanDerWaalsContact O-SD 3.4Å | ||
| 124 | Y | 86.1 | Confident | 81.6 | Confident | 164 Ų | 164 | 72 Ų | 72 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -71.3 | 94.9 | 171.9 | -169.4 | -108 | 0 | 0 | 0 | 110.8 | Y75 | Y75-Y124 WeakPolarHBondContact O-CB 3.24Å; Y75-Y124 PolarHBondContact O-N 3.47Å |
| 125 | I | 80.4 | Confident | 81.3 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 16% | 0.164 | 39% | 0.387 | C | S | . | . | trans | -133.3 | 156.4 | -179.6 | 59.9 | 176.7 | 0 | 0 | 0 | 110.9 | Y48 F71 P123 L127 M136 | Y48-I125 HydrophobicContact CD1-CD1 3.35Å; Y48-I125 HydrophobicContact CE1-CD1 3.61Å; Y48-I125 HydrophobicContact CG-CD1 4.49Å; F71-I125 HydrophobicContact CZ-CG2 3.89Å; P123-I125 HydrophobicContact CB-CG2 4.34Å; P123-I125 HydrophobicContact CG-CG2 3.95Å; P123-I125 PolarHBondContact O-N 3.27Å; I125-L127 PolarHBondContact O-N 2.76Å; I125-M136 HydrophobicContact CG1-CE 3.86Å | ||
| 126 | P | 71.7 | Confident | 81.2 | Confident | 129 Ų | 129 | 72.1 Ų | 72.1 | 84% | 0.838 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 122.5 | 163.6 | -21.1 | 33.3 | 0 | 0 | 0 | 109.8 | ||
| 127 | L | 70.7 | Confident | 81 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 129.1 | 175.7 | -74.1 | -179.3 | 0 | 0 | 0 | 110.2 | I125 A131 L135 M136 | I125-L127 PolarHBondContact O-N 2.76Å; L127-A131 HydrophobicContact CB-CB 3.92Å; L127-A131 HydrophobicContact CD1-CB 4.23Å; L127-A131 HydrophobicContact CD2-CB 3.89Å; L127-A131 HydrophobicContact CG-CB 4.25Å; L127-L135 HydrophobicContact CD2-CD2 3.83Å; L127-M136 HydrophobicContact CD1-CG 3.76Å; L127-M136 HydrophobicContact CD2-CE 3.31Å; L127-M136 HydrophobicContact CD2-CG 4.14Å; L127-M136 HydrophobicContact CG-CE 4Å; L127-M136 HydrophobicContact CG-CG 4.02Å |
| 128 | A | 71.9 | Confident | 80.6 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 159.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F50 G130 A131 | F50-A128 HydrophobicContact CE1-CB 4.04Å; A128-G130 PolarHBondContact O-N 3.07Å; A128-A131 VanDerWaalsContact O-CB 3.31Å; A128-A131 WeakPolarHBondContact O-CB 3.36Å; A128-A131 PolarHBondContact O-N 3.36Å; A128-A131 VanDerWaalsContact O-N 3.12Å |
| 129 | E | 70.8 | Confident | 80.4 | Confident | 195 Ų | 195 | 70.8 Ų | 70.8 | 91% | 0.911 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.3 | 175.2 | -166.5 | 172.6 | -173.4 | 0 | 0 | 111 | ||
| 130 | G | 75 | Confident | 80.4 | Confident | 65 Ų | 65 | 72.9 Ų | 72.9 | 67% | 0.67 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -0.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A128 | A128-G130 PolarHBondContact O-N 3.07Š|
| 131 | A | 79.1 | Confident | 80.5 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 13% | 0.132 | 39% | 0.389 | C | S | . | . | trans | -61.5 | 141.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F50 L127 A128 R133 L135 | F50-A131 HydrophobicContact CD2-CB 4.46Å; F50-A131 HydrophobicContact CE2-CB 4.02Å; F50-A131 HydrophobicContact CZ-CB 4.14Å; L127-A131 HydrophobicContact CB-CB 3.92Å; L127-A131 HydrophobicContact CD1-CB 4.23Å; L127-A131 HydrophobicContact CD2-CB 3.89Å; L127-A131 HydrophobicContact CG-CB 4.25Å; A128-A131 VanDerWaalsContact O-CB 3.31Å; A128-A131 WeakPolarHBondContact O-CB 3.36Å; A128-A131 PolarHBondContact O-N 3.36Å; A128-A131 VanDerWaalsContact O-N 3.12Å; A131-R133 PolarHBondContact O-N 2.02Å; A131-L135 HydrophobicContact CB-CD2 4.42Å | ||
| 132 | P | 82.5 | Confident | 80.7 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 49% | 0.494 | 41% | 0.411 | S | S | . | . | trans | -58 | 131.5 | 175.5 | -20.6 | 30.5 | 0 | 0 | 0 | 110.9 | C134 L135 | P132-C134 PolarHBondContact O-N 3.26Å; P132-C134 VanDerWaalsContact O-N 3.11Å; P132-L135 HydrophobicContact CB-CB 4.2Å; P132-L135 WeakPolarHBondContact O-CB 3.37Å; P132-L135 PolarHBondContact O-N 2.89Å | ||
| 133 | R | 80.3 | Confident | 80.7 | Confident | 185 Ų | 185 | 78.8 Ų | 78.8 | 70% | 0.698 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.1 | -177.1 | -66.4 | -176.5 | -178.9 | -169.5 | 1.3 | 113.4 | A131 L135 Y150 | A131-R133 PolarHBondContact O-N 2.02Å; R133-L135 VanDerWaalsContact C-N 3.33Å; R133-Y150 HydrophobicContact CB-CD1 4.37Å; R133-Y150 HydrophobicContact CB-CG 4.36Å |
| 134 | C | 85.7 | Confident | 80.6 | Confident | 39 Ų | 39 | 79.9 Ų | 79.9 | 26% | 0.264 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.5 | -176.7 | -59 | 0 | 0 | 0 | 0 | 114.1 | P132 M136 C137 C144 | P132-C134 PolarHBondContact O-N 3.26Å; P132-C134 VanDerWaalsContact O-N 3.11Å; C134-M136 PolarHBondContact O-N 2.78Å; C134-C137 WeakPolarHBondContact O-CB 3.39Å; C134-C137 PolarHBondContact O-N 3.09Å; C134-C137 PolarHBondContact O-SG 3.48Å; C134-C144 WeakPolarHBondContact CA-SG 3.43Å; C134-C144 HydrophobicContact CB-CB 3.46Å; C134-C144 VanDerWaalsContact CB-CB 3.46Å; C134-C144 WeakPolarHBondContact CB-SG 3.28Å; C134-C144 WeakPolarHBondContact SG-CB 3.44Å; C134-C144 PolarHBondContact SG-O 3.36Å; C134-C144 CovalentContact SG-SG 2.02Å; C134-C144 PolarHBondContact SG-SG 2.92Å |
| 135 | L | 83.9 | Confident | 80.6 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27.5 | -172.3 | 179.2 | 61.3 | 0 | 0 | 0 | 113 | F50 P122 L127 A131 P132 R133 | F50-L135 HydrophobicContact CB-CD2 4.39Å; F50-L135 HydrophobicContact CD2-CD2 3.82Å; F50-L135 HydrophobicContact CG-CD2 4.43Å; P122-L135 HydrophobicContact CG-CD1 3.82Å; P122-L135 HydrophobicContact CG-CD2 4.16Å; P122-L135 HydrophobicContact CG-CG 3.66Å; L127-L135 HydrophobicContact CD2-CD2 3.83Å; A131-L135 HydrophobicContact CB-CD2 4.42Å; P132-L135 HydrophobicContact CB-CB 4.2Å; P132-L135 WeakPolarHBondContact O-CB 3.37Å; P132-L135 PolarHBondContact O-N 2.89Å; R133-L135 VanDerWaalsContact C-N 3.33Å |
| 136 | M | 83.1 | Confident | 80.6 | Confident | 36 Ų | 36 | 78.9 Ų | 78.9 | 18% | 0.177 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 14.3 | -179.2 | -66.9 | -69 | 165.4 | 0 | 0 | 113.3 | Y77 P122 P123 I125 L127 C134 | Y77-M136 HydrophobicContact CE1-SD 4.19Å; P122-M136 HydrophobicContact CB-CE 3.52Å; P122-M136 HydrophobicContact CB-SD 4.37Å; P122-M136 HydrophobicContact CG-CE 3.4Å; P122-M136 HydrophobicContact CG-SD 3.86Å; P123-M136 VanDerWaalsContact O-CE 3.22Å; P123-M136 WeakPolarHBondContact O-CE 3.37Å; P123-M136 VanDerWaalsContact O-SD 3.4Å; I125-M136 HydrophobicContact CG1-CE 3.86Å; L127-M136 HydrophobicContact CD1-CG 3.76Å; L127-M136 HydrophobicContact CD2-CE 3.31Å; L127-M136 HydrophobicContact CD2-CG 4.14Å; L127-M136 HydrophobicContact CG-CE 4Å; L127-M136 HydrophobicContact CG-CG 4.02Å; C134-M136 PolarHBondContact O-N 2.78Å |
| 137 | C | 85.2 | Confident | 81.1 | Confident | 19 Ų | 19 | 78 Ų | 78 | 13% | 0.128 | 42% | 0.417 | C | S | . | . | trans | -72.1 | 130.8 | 179.1 | -68.4 | 0 | 0 | 0 | 0 | 111.4 | Y77 C134 C144 C152 | Y77-C137 PolarHBondContact OH-O 2.04Å; C134-C137 WeakPolarHBondContact O-CB 3.39Å; C134-C137 PolarHBondContact O-N 3.09Å; C134-C137 PolarHBondContact O-SG 3.48Å; C137-C144 HydrophobicContact CB-CB 4.49Å; C137-C144 WeakPolarHBondContact SG-CB 3.22Å; C137-C152 WeakPolarHBondContact CA-SG 2.94Å; C137-C152 HydrophobicContact CB-CB 3.65Å; C137-C152 WeakPolarHBondContact CB-SG 3Å; C137-C152 WeakPolarHBondContact SG-CA 2.93Å; C137-C152 WeakPolarHBondContact SG-CB 3.4Å; C137-C152 CovalentContact SG-SG 2.04Å; C137-C152 PolarHBondContact SG-SG 3.4Å | ||
| 138 | P | 82.3 | Confident | 81.5 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 21% | 0.214 | 40% | 0.401 | C | S | . | . | trans | -68 | 153.4 | 175.3 | 29.3 | -32.9 | 0 | 0 | 0 | 110.4 | Y77 E78 Q140 K141 S142 | Y77-P138 HydrophobicContact CE2-CB 3.99Å; E78-P138 HydrophobicContact CG-CB 4.24Å; E78-P138 VanDerWaalsContact OE1-C 3.3Å; E78-P138 WeakPolarHBondContact OE1-CA 2.78Å; E78-P138 WeakPolarHBondContact OE1-CB 3.42Å; P138-Q140 PolarHBondContact O-N 2.85Å; P138-K141 HydrophobicContact CG-CB 3.86Å; P138-K141 HydrophobicContact CG-CG 4.26Å; P138-K141 CarbonylContact O-C 3.52Å; P138-K141 WeakPolarHBondContact O-CA 3.5Å; P138-K141 PolarHBondContact O-N 3.47Å; P138-S142 PolarHBondContact O-N 3.34Å; P138-S142 VanDerWaalsContact O-N 3.12Å | ||
| 139 | T | 80.5 | Confident | 81.8 | Confident | 94 Ų | 94 | 78 Ų | 78 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -49.2 | -41.9 | 172.5 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | E78 K141 S142 | E78-T139 WeakPolarHBondContact OE1-CB 3.04Å; E78-T139 PolarHBondContact OE1-N 3.17Å; E78-T139 PolarHBondContact OE1-OG1 3.22Å; E78-T139 PolarHBondContact OE2-OG1 3.03Å; T139-K141 VanDerWaalsContact C-N 3.25Å; T139-K141 PolarHBondContact O-N 2.65Å; T139-S142 PolarHBondContact O-OG 2.99Å |
| 140 | Q | 80.8 | Confident | 82.3 | Confident | 128 Ų | 128 | 73.7 Ų | 73.7 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -69.2 | -19.8 | 176.8 | -66.2 | 175.9 | 8 | 0 | 0 | 113.6 | H80 P138 | H80-Q140 PolarHBondContact NE2-NE2 3.34Å; P138-Q140 PolarHBondContact O-N 2.85Å |
| 141 | K | 84.3 | Confident | 82.6 | Confident | 101 Ų | 101 | 75 Ų | 75 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -130.7 | 53.4 | 177.4 | -56.3 | -168 | 175.5 | -170.2 | 0 | 111.3 | P138 T139 K143 C152 C153 D154 | P138-K141 HydrophobicContact CG-CB 3.86Å; P138-K141 HydrophobicContact CG-CG 4.26Å; P138-K141 CarbonylContact O-C 3.52Å; P138-K141 WeakPolarHBondContact O-CA 3.5Å; P138-K141 PolarHBondContact O-N 3.47Å; T139-K141 VanDerWaalsContact C-N 3.25Å; T139-K141 PolarHBondContact O-N 2.65Å; K141-K143 VanDerWaalsContact C-N 3.33Å; K141-K143 PolarHBondContact O-N 2.83Å; K141-C152 HydrophobicContact CB-CB 4.16Å; K141-C152 WeakPolarHBondContact CD-O 3.37Å; K141-C152 WeakPolarHBondContact O-CB 3.07Å; K141-C153 CarbonylContact C-O 3.59Å; K141-C153 WeakPolarHBondContact CA-O 3.32Å; K141-C153 PolarHBondContact O-N 3.08Å; K141-D154 HydrophobicContact CG-CB 4.4Å |
| 142 | S | 85 | Confident | 82.9 | Confident | 87 Ų | 87 | 76.4 Ų | 76.4 | 61% | 0.608 | 38% | 0.38 | S | S | * | . | trans | -78.3 | -11.5 | -172 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | P138 T139 C144 C153 | P138-S142 PolarHBondContact O-N 3.34Å; P138-S142 VanDerWaalsContact O-N 3.12Å; T139-S142 PolarHBondContact O-OG 2.99Å; S142-C144 PolarHBondContact O-N 3.31Å; S142-C144 VanDerWaalsContact O-N 3.16Å; S142-C153 PolarHBondContact N-O 2.99Å | ||
| 143 | K | 86.1 | Confident | 83 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 38% | 0.378 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 108.8 | 173.6 | -62.7 | -169.1 | -168.4 | -177 | 0 | 108.9 | K141 T148 L151 C153 D154 D155 | K141-K143 VanDerWaalsContact C-N 3.33Å; K141-K143 PolarHBondContact O-N 2.83Å; K143-T148 HydrophobicContact CB-CG2 4.25Å; K143-L151 VanDerWaalsContact O-O 3.12Å; K143-C153 HydrophobicContact CB-CB 4.5Å; K143-C153 WeakPolarHBondContact CB-O 3.14Å; K143-C153 PolarHBondContact N-O 3.32Å; K143-C153 PolarHBondContact O-N 3.45Å; K143-D154 WeakPolarHBondContact CE-O 3.37Å; K143-D155 IonicContact NZ-OD1 3.24Å; K143-D155 PolarHBondContact NZ-OD1 3.1Å |
| 144 | C | 88 | Confident | 83.1 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | trans | -147.3 | 117.5 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 110 | C134 C137 S142 T148 Y150 | C134-C144 WeakPolarHBondContact CA-SG 3.43Å; C134-C144 HydrophobicContact CB-CB 3.46Å; C134-C144 VanDerWaalsContact CB-CB 3.46Å; C134-C144 WeakPolarHBondContact CB-SG 3.28Å; C134-C144 WeakPolarHBondContact SG-CB 3.44Å; C134-C144 PolarHBondContact SG-O 3.36Å; C134-C144 CovalentContact SG-SG 2.02Å; C134-C144 PolarHBondContact SG-SG 2.92Å; C137-C144 HydrophobicContact CB-CB 4.49Å; C137-C144 WeakPolarHBondContact SG-CB 3.22Å; S142-C144 PolarHBondContact O-N 3.31Å; S142-C144 VanDerWaalsContact O-N 3.16Å; C144-T148 WeakPolarHBondContact CA-OG1 3.43Å; C144-Y150 VanDerWaalsContact SG-C 3.51Å | ||
| 145 | G | 85.2 | Confident | 82.8 | Confident | 11 Ų | 11 | 70 Ų | 70 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -172.6 | -170.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E147 T148 K149 Y150 | G145-E147 VanDerWaalsContact C-OE2 3.32Å; G145-E147 WeakPolarHBondContact CA-OE2 3.1Å; G145-E147 PolarHBondContact O-N 3.17Å; G145-T148 PolarHBondContact N-OG1 3.38Å; G145-T148 VanDerWaalsContact N-OG1 3.07Å; G145-T148 PolarHBondContact O-N 2.93Å; G145-T148 VanDerWaalsContact O-N 3.16Å; G145-T148 PolarHBondContact O-OG1 2.98Å; G145-K149 PolarHBondContact O-N 3Å; G145-Y150 PolarHBondContact O-N 3.08Å |
| 146 | Y | 81.1 | Confident | 82.3 | Confident | 165 Ų | 165 | 68.7 Ų | 68.7 | 65% | 0.647 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -36.5 | 178 | 177.5 | -95.6 | 0 | 0 | 0 | 111.9 | T148 K149 | Y146-T148 VanDerWaalsContact C-N 3.33Å; Y146-T148 PolarHBondContact O-N 3.16Å; Y146-K149 PolarHBondContact O-N 3.15Å; Y146-K149 VanDerWaalsContact O-N 3.1Å |
| 147 | E | 81.8 | Confident | 81.7 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -33.8 | 177.9 | 70 | -70.4 | 170.5 | 0 | 0 | 113.1 | G145 W157 | G145-E147 VanDerWaalsContact C-OE2 3.32Å; G145-E147 WeakPolarHBondContact CA-OE2 3.1Å; G145-E147 PolarHBondContact O-N 3.17Å; E147-W157 VanDerWaalsContact O-CB 3.22Å; E147-W157 WeakPolarHBondContact O-CB 3.25Å |
| 148 | T | 78.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 10.7 | 174.7 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | K143 C144 G145 Y146 Y150 L151 C153 | K143-T148 HydrophobicContact CB-CG2 4.25Å; C144-T148 WeakPolarHBondContact CA-OG1 3.43Å; G145-T148 PolarHBondContact N-OG1 3.38Å; G145-T148 VanDerWaalsContact N-OG1 3.07Å; G145-T148 PolarHBondContact O-N 2.93Å; G145-T148 VanDerWaalsContact O-N 3.16Å; G145-T148 PolarHBondContact O-OG1 2.98Å; Y146-T148 VanDerWaalsContact C-N 3.33Å; Y146-T148 PolarHBondContact O-N 3.16Å; T148-Y150 PolarHBondContact O-N 3.32Å; T148-L151 WeakPolarHBondContact CB-O 3.4Å; T148-L151 VanDerWaalsContact O-CB 3.3Å; T148-L151 WeakPolarHBondContact O-CB 3.18Å; T148-L151 WeakPolarHBondContact O-CG 3.48Å; T148-L151 PolarHBondContact O-N 3.36Å; T148-L151 PolarHBondContact OG1-N 3.17Å; T148-L151 PolarHBondContact OG1-O 3.15Å; T148-C153 HydrophobicContact CG2-CB 3.92Å |
| 149 | K | 78.3 | Confident | 80.5 | Confident | 122 Ų | 122 | 82.9 Ų | 82.9 | 53% | 0.53 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32.1 | -171.8 | -53.3 | -61.2 | -178.4 | -170.2 | 0 | 113.1 | G145 Y146 L151 | G145-K149 PolarHBondContact O-N 3Å; Y146-K149 PolarHBondContact O-N 3.15Å; Y146-K149 VanDerWaalsContact O-N 3.1Å; K149-L151 PolarHBondContact O-N 3.13Å |
| 150 | Y | 81.5 | Confident | 79.4 | Confident | 104 Ų | 104 | 81 Ų | 81 | 41% | 0.408 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 27.5 | -175.8 | -52.3 | -82.5 | 0 | 0 | 0 | 113.8 | R133 C144 G145 T148 | R133-Y150 HydrophobicContact CB-CD1 4.37Å; R133-Y150 HydrophobicContact CB-CG 4.36Å; C144-Y150 VanDerWaalsContact SG-C 3.51Å; G145-Y150 PolarHBondContact O-N 3.08Å; T148-Y150 PolarHBondContact O-N 3.32Å |
| 151 | L | 80.7 | Confident | 78 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | trans | -91.8 | 148.5 | 167.8 | -59.3 | 172.7 | 0 | 0 | 0 | 109.6 | K143 T148 K149 C153 W157 | K143-L151 VanDerWaalsContact O-O 3.12Å; T148-L151 WeakPolarHBondContact CB-O 3.4Å; T148-L151 VanDerWaalsContact O-CB 3.3Å; T148-L151 WeakPolarHBondContact O-CB 3.18Å; T148-L151 WeakPolarHBondContact O-CG 3.48Å; T148-L151 PolarHBondContact O-N 3.36Å; T148-L151 PolarHBondContact OG1-N 3.17Å; T148-L151 PolarHBondContact OG1-O 3.15Å; K149-L151 PolarHBondContact O-N 3.13Å; L151-C153 PolarHBondContact O-N 2.01Å; L151-W157 HydrophobicContact CD1-CZ3 4.08Å | ||
| 152 | C | 85.2 | Confident | 76.6 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 31% | 0.311 | 42% | 0.418 | S | S | . | . | trans | -79.6 | 109.5 | 175.4 | -52.1 | 0 | 0 | 0 | 0 | 109.9 | C137 K141 | C137-C152 WeakPolarHBondContact CA-SG 2.94Å; C137-C152 HydrophobicContact CB-CB 3.65Å; C137-C152 WeakPolarHBondContact CB-SG 3Å; C137-C152 WeakPolarHBondContact SG-CA 2.93Å; C137-C152 WeakPolarHBondContact SG-CB 3.4Å; C137-C152 CovalentContact SG-SG 2.04Å; C137-C152 PolarHBondContact SG-SG 3.4Å; K141-C152 HydrophobicContact CB-CB 4.16Å; K141-C152 WeakPolarHBondContact CD-O 3.37Å; K141-C152 WeakPolarHBondContact O-CB 3.07Å | ||
| 153 | C | 84.3 | Confident | 74.6 | Confident | 9 Ų | 9 | 81.9 Ų | 81.9 | 6% | 0.061 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 150.4 | -175 | -62.5 | 0 | 0 | 0 | 0 | 111 | K141 S142 K143 T148 L151 D155 L160 | K141-C153 CarbonylContact C-O 3.59Å; K141-C153 WeakPolarHBondContact CA-O 3.32Å; K141-C153 PolarHBondContact O-N 3.08Å; S142-C153 PolarHBondContact N-O 2.99Å; K143-C153 HydrophobicContact CB-CB 4.5Å; K143-C153 WeakPolarHBondContact CB-O 3.14Å; K143-C153 PolarHBondContact N-O 3.32Å; K143-C153 PolarHBondContact O-N 3.45Å; T148-C153 HydrophobicContact CG2-CB 3.92Å; L151-C153 PolarHBondContact O-N 2.01Å; C153-D155 WeakPolarHBondContact CB-O 3.47Å; C153-L160 HydrophobicContact CB-CD1 4.38Å; C153-L160 HydrophobicContact CB-CD2 4.13Å |
| 154 | D | 83.8 | Confident | 72.5 | Confident | 103 Ų | 103 | 83.9 Ų | 83.9 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -78.9 | -30.9 | 169.7 | 50.4 | -7.2 | 0 | 0 | 0 | 111.5 | K141 K143 L160 | K141-D154 HydrophobicContact CG-CB 4.4Å; K143-D154 WeakPolarHBondContact CE-O 3.37Å; D154-L160 WeakPolarHBondContact OD1-CD2 3.26Å |
| 155 | D | 79.8 | Confident | 70.2 | Confident | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.283 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -130.2 | 170.6 | 175 | -143.1 | -26 | 0 | 0 | 0 | 113.8 | K143 C153 N159 | K143-D155 IonicContact NZ-OD1 3.24Å; K143-D155 PolarHBondContact NZ-OD1 3.1Å; C153-D155 WeakPolarHBondContact CB-O 3.47Å; D155-N159 HydrophobicContact CB-CB 3.92Å; D155-N159 VanDerWaalsContact CG-CB 3.42Å; D155-N159 PolarHBondContact OD1-ND2 3.4Å; D155-N159 WeakPolarHBondContact OD2-CB 3.48Å |
| 156 | G | 73.4 | Confident | 68.1 | Low | 18 Ų | 18 | 91 Ų | 91 | 19% | 0.186 | 49% | 0.492 | C | S | . | . | trans | -62.9 | 151.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D158 N159 L160 | G156-D158 PolarHBondContact O-N 3.33Å; G156-N159 WeakPolarHBondContact O-CA 3.4Å; G156-N159 PolarHBondContact O-N 3.3Å; G156-L160 PolarHBondContact O-N 3.42Å; G156-L160 VanDerWaalsContact O-N 3.15Å | ||
| 157 | W | 69.9 | Low | 66 | Low | 134 Ų | 134 | 88.2 Ų | 88.2 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -50.4 | -39.4 | -174.2 | 179.9 | -91.7 | 0 | 0 | 0 | 113.7 | E147 L151 N159 L160 | E147-W157 VanDerWaalsContact O-CB 3.22Å; E147-W157 WeakPolarHBondContact O-CB 3.25Å; L151-W157 HydrophobicContact CD1-CZ3 4.08Å; W157-N159 VanDerWaalsContact C-N 3.26Å; W157-N159 PolarHBondContact O-N 3.26Å; W157-L160 HydrophobicContact CE3-CD1 3.9Å; W157-L160 HydrophobicContact CZ3-CD1 4.45Å; W157-L160 PolarHBondContact O-N 3.16Å |
| 158 | D | 72 | Confident | 64 | Low | 155 Ų | 155 | 85.2 Ų | 85.2 | 83% | 0.829 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -70.4 | -21.1 | -179.7 | -56 | -38.4 | 0 | 0 | 0 | 113.7 | G156 | G156-D158 PolarHBondContact O-N 3.33Š|
| 159 | N | 69.6 | Low | 61.7 | Low | 98 Ų | 98 | 91 Ų | 91 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -99.8 | -6.1 | 178.5 | -67.7 | -18.4 | 0 | 0 | 0 | 113 | D155 G156 W157 V161 | D155-N159 HydrophobicContact CB-CB 3.92Å; D155-N159 VanDerWaalsContact CG-CB 3.42Å; D155-N159 PolarHBondContact OD1-ND2 3.4Å; D155-N159 WeakPolarHBondContact OD2-CB 3.48Å; G156-N159 WeakPolarHBondContact O-CA 3.4Å; G156-N159 PolarHBondContact O-N 3.3Å; W157-N159 VanDerWaalsContact C-N 3.26Å; W157-N159 PolarHBondContact O-N 3.26Å; N159-V161 VanDerWaalsContact C-N 3.3Å; N159-V161 PolarHBondContact O-N 3.01Å |
| 160 | L | 58.3 | Low | 59.5 | Low | 55 Ų | 55 | 90.5 Ų | 90.5 | 29% | 0.288 | 53% | 0.531 | S | S | . | . | trans | -64.8 | 96 | 176.3 | -70.1 | 174.6 | 0 | 0 | 0 | 108.4 | C153 D154 G156 W157 V162 | C153-L160 HydrophobicContact CB-CD1 4.38Å; C153-L160 HydrophobicContact CB-CD2 4.13Å; D154-L160 WeakPolarHBondContact OD1-CD2 3.26Å; G156-L160 PolarHBondContact O-N 3.42Å; G156-L160 VanDerWaalsContact O-N 3.15Å; W157-L160 HydrophobicContact CE3-CD1 3.9Å; W157-L160 HydrophobicContact CZ3-CD1 4.45Å; W157-L160 PolarHBondContact O-N 3.16Å; L160-V162 VanDerWaalsContact C-N 3.34Å; L160-V162 PolarHBondContact O-N 2.76Å | ||
| 161 | V | 51.7 | Low | 57 | Low | 116 Ų | 116 | 90.4 Ų | 90.4 | 70% | 0.703 | 54% | 0.541 | S | S | * | . | trans | -65.8 | 100.4 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 105.7 | N159 P163 | N159-V161 VanDerWaalsContact C-N 3.3Å; N159-V161 PolarHBondContact O-N 3.01Å; V161-P163 WeakPolarHBondContact O-CD 3.43Å | ||
| 162 | V | 54.5 | Low | 54.8 | Low | 115 Ų | 115 | 94.1 Ų | 94.1 | 70% | 0.697 | 56% | 0.561 | S | S | * | * | trans | -53.7 | 116.8 | 156.7 | -179.9 | 0 | 0 | 0 | 0 | 104.1 | L160 Q164 | L160-V162 VanDerWaalsContact C-N 3.34Å; L160-V162 PolarHBondContact O-N 2.76Å; V162-Q164 PolarHBondContact O-N 3.08Å | ||
| 163 | P | 43.4 | Very low | 52.5 | Low | 103 Ų | 103 | 96.3 Ų | 96.3 | 67% | 0.669 | 58% | 0.575 | S | S | * | * | trans | -51.5 | 110.3 | -179.5 | -25.2 | 33.1 | 0 | 0 | 0 | 107.6 | V161 G165 | V161-P163 WeakPolarHBondContact O-CD 3.43Å; P163-G165 PolarHBondContact O-N 3.03Å | ||
| 164 | Q | 40.4 | Very low | 50 | Low | 128 Ų | 128 | 102.4 Ų | 102.4 | 60% | 0.598 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -71.2 | 24.6 | 174 | -67.3 | -169.2 | -9.5 | 0 | 0 | 110.8 | V162 S166 Q167 | V162-Q164 PolarHBondContact O-N 3.08Å; Q164-S166 PolarHBondContact O-N 3.34Å; Q164-Q167 HydrophobicContact CB-CB 3.99Å; Q164-Q167 HydrophobicContact CB-CG 4.19Å; Q164-Q167 HydrophobicContact CG-CB 4.2Å; Q164-Q167 VanDerWaalsContact CG-CD 3.4Å; Q164-Q167 HydrophobicContact CG-CG 3.88Å; Q164-Q167 VanDerWaalsContact NE2-CD 3.28Å; Q164-Q167 PolarHBondContact O-N 3.14Å |
| 165 | G | 40.9 | Very low | 47.9 | Very low | 76 Ų | 76 | 103.6 Ų | 103.6 | 78% | 0.784 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -71.6 | 2.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P163 | P163-G165 PolarHBondContact O-N 3.03Š|
| 166 | S | 40.2 | Very low | 46 | Very low | 108 Ų | 108 | 104 Ų | 104 | 76% | 0.755 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -150.4 | 31.1 | 160.8 | 38 | 0 | 0 | 0 | 0 | 112.6 | Q164 G168 | Q164-S166 PolarHBondContact O-N 3.34Å; S166-G168 PolarHBondContact O-N 3.36Å |
| 167 | Q | 37.3 | Very low | 44.4 | Very low | 107 Ų | 107 | 110.6 Ų | 110.6 | 50% | 0.5 | 66% | 0.661 | S | S | . | * | trans | -74.3 | 87.7 | 147.9 | -82.4 | -170.3 | 0.6 | 0 | 0 | 106.9 | Q164 T169 | Q164-Q167 HydrophobicContact CB-CB 3.99Å; Q164-Q167 HydrophobicContact CB-CG 4.19Å; Q164-Q167 HydrophobicContact CG-CB 4.2Å; Q164-Q167 VanDerWaalsContact CG-CD 3.4Å; Q164-Q167 HydrophobicContact CG-CG 3.88Å; Q164-Q167 VanDerWaalsContact NE2-CD 3.28Å; Q164-Q167 PolarHBondContact O-N 3.14Å; Q167-T169 PolarHBondContact O-N 3.24Å | ||
| 168 | G | 40 | Very low | 43.1 | Very low | 47 Ų | 47 | 107 Ų | 107 | 49% | 0.485 | 65% | 0.654 | S | S | . | * | trans | -48.1 | 116.2 | 147.7 | 0 | 0 | 0 | 0 | 0 | 106 | S166 S170 | S166-G168 PolarHBondContact O-N 3.36Å; G168-S170 PolarHBondContact O-N 3.27Å; G168-S170 VanDerWaalsContact O-N 3.09Å | ||
| 169 | T | 30.6 | Very low | 41.6 | Very low | 121 Ų | 121 | 103.3 Ų | 103.3 | 74% | 0.742 | 64% | 0.637 | S | S | * | * | trans | -25.4 | 113.5 | 174.9 | 24 | 0 | 0 | 0 | 0 | 111.1 | Q167 T171 | Q167-T169 PolarHBondContact O-N 3.24Å; T169-T171 PolarHBondContact O-N 3.49Å | ||
| 170 | S | 32.1 | Very low | 40.7 | Very low | 111 Ų | 111 | 101.2 Ų | 101.2 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | trans | -70.6 | 65.3 | 166.7 | 69.3 | 0 | 0 | 0 | 0 | 109.1 | G168 | G168-S170 PolarHBondContact O-N 3.27Å; G168-S170 VanDerWaalsContact O-N 3.09Å | ||
| 171 | T | 28.1 | Very low | 40.5 | Very low | 102 Ų | 102 | 102.3 Ų | 102.3 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | trans | -71.3 | 119.9 | 140.7 | 46.4 | 0 | 0 | 0 | 0 | 104.1 | T169 P173 | T169-T171 PolarHBondContact O-N 3.49Å; T171-P173 VanDerWaalsContact C-N 3.34Å; T171-P173 WeakPolarHBondContact O-CD 3.37Å; T171-P173 VanDerWaalsContact O-N 3.13Å | ||
| 172 | N | 34.6 | Very low | 41.4 | Very low | 171 Ų | 171 | 106.4 Ų | 106.4 | 91% | 0.914 | 65% | 0.646 | S | S | * | * | trans | -62 | 105 | 150.8 | -88.8 | -26 | 0 | 0 | 0 | 105.7 | ||||
| 173 | P | 36.9 | Very low | 43 | Very low | 92 Ų | 92 | 102.8 Ų | 102.8 | 60% | 0.597 | 62% | 0.623 | S | S | * | * | -127.5 | 119.3 | 129.4 | 34.2 | -23.7 | 0 | 0 | 0 | 107.3 | T171 | T171-P173 VanDerWaalsContact C-N 3.34Å; T171-P173 WeakPolarHBondContact O-CD 3.37Å; T171-P173 VanDerWaalsContact O-N 3.13Å | |||
| 174 | D | 33 | Very low | 45.3 | Very low | 137 Ų | 137 | 99.4 Ų | 99.4 | 73% | 0.733 | 60% | 0.598 | S | S | * | * | trans | 50 | 116.1 | 161.7 | -68.1 | -34.6 | 0 | 0 | 0 | 117.7 | S176 | D174-S176 PolarHBondContact O-N 2.82Š| ||
| 175 | S | 39.8 | Very low | 47.8 | Very low | 128 Ų | 128 | 94.2 Ų | 94.2 | 90% | 0.895 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -50.4 | 75.6 | 154.6 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 176 | S | 40.2 | Very low | 50.4 | Low | 61 Ų | 61 | 91.1 Ų | 91.1 | 43% | 0.427 | 54% | 0.54 | S | S | . | . | trans | 175.1 | 90.3 | 166.5 | 47.9 | 0 | 0 | 0 | 0 | 109.5 | D174 | D174-S176 PolarHBondContact O-N 2.82Š| ||
| 177 | N | 39.2 | Very low | 53.1 | Low | 157 Ų | 157 | 86 Ų | 86 | 84% | 0.84 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -157 | 15.3 | 152.5 | -102.8 | -25.2 | 0 | 0 | 0 | 117 | ||
| 178 | V | 43.3 | Very low | 55.9 | Low | 58 Ų | 58 | 83.6 Ų | 83.6 | 35% | 0.352 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -92.7 | 37.1 | 145.6 | -162.9 | 0 | 0 | 0 | 0 | 108.9 | R184 | V178-R184 PolarHBondContact O-NH2 3.03Å; V178-R184 VanDerWaalsContact O-NH2 3.1Å |
| 179 | T | 39.3 | Very low | 58.6 | Low | 78 Ų | 78 | 82.3 Ų | 82.3 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | trans | -105.3 | 16.9 | 178.2 | 30.5 | 0 | 0 | 0 | 0 | 112.2 | S181 | T179-S181 VanDerWaalsContact C-N 3.26Å; T179-S181 PolarHBondContact O-N 3.1Å | ||
| 180 | S | 50.1 | Low | 61.6 | Low | 54 Ų | 54 | 77.2 Ų | 77.2 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | trans | -77.3 | 92.1 | 161.8 | -150.5 | 0 | 0 | 0 | 0 | 107.7 | R182 V183 | S180-R182 PolarHBondContact O-N 3.4Å; S180-R182 WeakPolarHBondContact OG-CB 3.45Å; S180-V183 PolarHBondContact O-N 3.27Å | ||
| 181 | S | 55.4 | Low | 64.5 | Low | 79 Ų | 79 | 77 Ų | 77 | 55% | 0.552 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -10.3 | 160.8 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | T179 | T179-S181 VanDerWaalsContact C-N 3.26Å; T179-S181 PolarHBondContact O-N 3.1Å |
| 182 | R | 70.8 | Confident | 67.6 | Low | 202 Ų | 202 | 73.1 Ų | 73.1 | 76% | 0.762 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -27.6 | 170.9 | -58.2 | -173.5 | 176.8 | -174.1 | -0.7 | 114.1 | S180 K226 | S180-R182 PolarHBondContact O-N 3.4Å; S180-R182 WeakPolarHBondContact OG-CB 3.45Å; R182-K226 WeakPolarHBondContact O-CD 3.36Å; R182-K226 WeakPolarHBondContact O-CE 3.37Å; R182-K226 PolarHBondContact O-NZ 3.42Å |
| 183 | V | 87.4 | Confident | 70.3 | Confident | 38 Ų | 38 | 68.8 Ų | 68.8 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -34.1 | -173.3 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | S180 V225 K226 V231 | S180-V183 PolarHBondContact O-N 3.27Å; V183-V225 HydrophobicContact CG1-CG1 4Å; V183-K226 WeakPolarHBondContact O-CB 3.22Å; V183-K226 WeakPolarHBondContact O-CG 3.47Å; V183-K226 PolarHBondContact O-N 3.17Å; V183-V231 HydrophobicContact CG1-CG2 3.81Å |
| 184 | R | 90.8 | Very high | 72.8 | Confident | 33 Ų | 33 | 70 Ų | 70 | 13% | 0.125 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 154.2 | 178.8 | -65.1 | -168.5 | -64 | -177 | 6.4 | 112.1 | V178 V224 K226 E333 | V178-R184 PolarHBondContact O-NH2 3.03Å; V178-R184 VanDerWaalsContact O-NH2 3.1Å; R184-V224 CarbonylContact C-O 3.48Å; R184-V224 WeakPolarHBondContact CA-O 3.3Å; R184-K226 WeakPolarHBondContact O-CE 3.31Å; R184-E333 HydrophobicContact CB-CG 4.03Å; R184-E333 IonicContact CZ-OE1 2.91Å; R184-E333 IonicContact NE-OE1 3.26Å; R184-E333 PolarHBondContact NE-OE1 2.82Å; R184-E333 IonicContact NH2-OE1 3.44Å; R184-E333 PolarHBondContact NH2-OE1 2.88Å |
| 185 | V | 93.4 | Very high | 75.4 | Confident | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.7 | 168.5 | -76.7 | 0 | 0 | 0 | 0 | 109.1 | E203 S223 V224 K226 | V185-E203 WeakPolarHBondContact CG1-O 3.38Å; V185-S223 CarbonylContact O-C 3.58Å; V185-S223 WeakPolarHBondContact O-CA 3.38Å; V185-S223 VanDerWaalsContact O-CB 3.31Å; V185-S223 WeakPolarHBondContact O-CB 3.2Å; V185-V224 HydrophobicContact CG2-CG2 3.69Å; V185-V224 PolarHBondContact N-O 3.22Å; V185-V224 PolarHBondContact O-N 3.09Å; V185-K226 HydrophobicContact CB-CG 4.4Å; V185-K226 HydrophobicContact CG1-CD 3.98Å; V185-K226 HydrophobicContact CG1-CG 3.48Å; V185-K226 VanDerWaalsContact CG1-CG 3.48Å; V185-K226 HydrophobicContact CG2-CG 4.23Å |
| 186 | N | 96 | Very high | 77.5 | Confident | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.059 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 143.7 | 172.4 | -64.6 | -42.5 | 0 | 0 | 0 | 110.7 | E203 P220 A222 P332 E333 | N186-E203 VanDerWaalsContact CB-CD 3.49Å; N186-E203 HydrophobicContact CB-CG 4.07Å; N186-E203 WeakPolarHBondContact CB-OE2 3.36Å; N186-E203 PolarHBondContact ND2-OE2 2.86Å; N186-E203 VanDerWaalsContact ND2-OE2 3.14Å; N186-E203 PolarHBondContact O-N 3.28Å; N186-P220 HydrophobicContact CB-CB 3.75Å; N186-A222 WeakPolarHBondContact CA-O 3.46Å; N186-P332 VanDerWaalsContact OD1-CA 3.28Å; N186-P332 WeakPolarHBondContact OD1-CA 3.34Å; N186-E333 PolarHBondContact ND2-O 3.37Å; N186-E333 PolarHBondContact OD1-N 3.48Å |
| 187 | V | 96.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.1 | 164 | -164.5 | 0 | 0 | 0 | 0 | 106.6 | I200 A201 F202 P220 F221 A222 V224 F327 | V187-I200 HydrophobicContact CG1-CB 3.94Å; V187-I200 HydrophobicContact CG1-CD1 4.04Å; V187-I200 HydrophobicContact CG1-CG1 4.42Å; V187-I200 HydrophobicContact CG1-CG2 4.44Å; V187-A201 CarbonylContact C-O 3.46Å; V187-A201 WeakPolarHBondContact CA-O 3.34Å; V187-F202 HydrophobicContact CB-CE1 4.38Å; V187-F202 HydrophobicContact CG1-CD1 4.35Å; V187-F202 HydrophobicContact CG1-CE1 4Å; V187-F202 HydrophobicContact CG1-CZ 4.14Å; V187-F202 HydrophobicContact CG2-CD1 3.83Å; V187-F202 HydrophobicContact CG2-CE1 3.55Å; V187-F202 HydrophobicContact CG2-CZ 4.42Å; V187-P220 WeakPolarHBondContact O-CA 3.33Å; V187-F221 HydrophobicContact CB-CE1 4.02Å; V187-F221 HydrophobicContact CG1-CE1 3.73Å; V187-F221 HydrophobicContact CG1-CZ 4.41Å; V187-F221 WeakPolarHBondContact O-CD1 2.96Å; V187-F221 PolarHBondContact O-N 2.83Å; V187-A222 HydrophobicContact CB-CB 4.34Å; V187-A222 HydrophobicContact CG2-CB 4.46Å; V187-A222 PolarHBondContact N-O 3.4Å; V187-V224 HydrophobicContact CG2-CG1 3.81Å; V187-V224 HydrophobicContact CG2-CG2 4.15Å; V187-F327 HydrophobicContact CG2-CE2 4.48Å |
| 188 | R | 96.3 | Very high | 82.4 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.9 | -178.8 | -59.2 | -174.1 | 75.7 | 86.2 | -0.8 | 110.1 | Y190 I200 A201 E203 D217 G219 | R188-Y190 HydrophobicContact CB-CD2 4.44Å; R188-Y190 HydrophobicContact CB-CE2 3.74Å; R188-I200 VanDerWaalsContact O-CA 3.3Å; R188-I200 WeakPolarHBondContact O-CA 3.35Å; R188-A201 PolarHBondContact N-O 3.18Å; R188-A201 PolarHBondContact O-N 3.23Å; R188-E203 WeakPolarHBondContact CD-OE1 3.29Å; R188-E203 HydrophobicContact CG-CG 3.87Å; R188-E203 IonicContact CZ-OE1 2.73Å; R188-E203 IonicContact NH1-OE1 3.48Å; R188-E203 PolarHBondContact NH1-OE1 2.8Å; R188-D217 IonicContact CZ-OD1 2.6Å; R188-D217 IonicContact CZ-OD2 3.38Å; R188-D217 VanDerWaalsContact CZ-OD2 3.24Å; R188-D217 IonicContact NE-OD1 2.67Å; R188-D217 PolarHBondContact NE-OD1 2.76Å; R188-D217 IonicContact NE-OD2 3.66Å; R188-D217 PolarHBondContact NE-OD2 3.11Å; R188-D217 IonicContact NH2-OD1 3.17Å; R188-D217 PolarHBondContact NH2-OD1 3.34Å; R188-D217 IonicContact NH2-OD2 2.66Å; R188-D217 PolarHBondContact NH2-OD2 2.98Å; R188-G219 WeakPolarHBondContact CA-O 3.32Å |
| 189 | L | 95.7 | Very high | 84.8 | Confident | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131 | 177.2 | -173.4 | 69.6 | 0 | 0 | 0 | 109.3 | T198 I200 V218 G219 F221 | L189-T198 HydrophobicContact CD1-CG2 4.18Å; L189-T198 HydrophobicContact CG-CG2 4.42Å; L189-I200 HydrophobicContact CD1-CG2 3.95Å; L189-V218 HydrophobicContact CB-CB 4.22Å; L189-V218 HydrophobicContact CD2-CB 4.42Å; L189-V218 HydrophobicContact CD2-CG1 4.37Å; L189-V218 HydrophobicContact CG-CB 4.43Å; L189-V218 HydrophobicContact CG-CG2 4.47Å; L189-V218 WeakPolarHBondContact O-CA 3.38Å; L189-V218 VanDerWaalsContact O-CB 3.25Å; L189-V218 WeakPolarHBondContact O-CB 3.46Å; L189-V218 PolarHBondContact O-N 3.1Å; L189-G219 PolarHBondContact N-O 3.43Å; L189-F221 HydrophobicContact CB-CD1 3.74Å; L189-F221 HydrophobicContact CB-CE1 4.12Å; L189-F221 HydrophobicContact CB-CG 4.12Å; L189-F221 HydrophobicContact CD1-CE1 4.48Å; L189-F221 HydrophobicContact CD1-CZ 4.43Å |
| 190 | Y | 94.8 | Very high | 87.5 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.3 | 174.1 | -70.4 | -97.8 | 0 | 0 | 0 | 109.4 | R188 T198 V199 A201 P210 L212 T216 D217 | R188-Y190 HydrophobicContact CB-CD2 4.44Å; R188-Y190 HydrophobicContact CB-CE2 3.74Å; Y190-T198 CarbonylContact O-C 3.56Å; Y190-T198 WeakPolarHBondContact O-CA 3.38Å; Y190-T198 VanDerWaalsContact O-CB 3.31Å; Y190-T198 WeakPolarHBondContact O-CB 3.43Å; Y190-V199 PolarHBondContact N-O 2.92Å; Y190-V199 PolarHBondContact O-N 3.26Å; Y190-A201 HydrophobicContact CD2-CB 4.09Å; Y190-A201 HydrophobicContact CE2-CB 3.6Å; Y190-P210 HydrophobicContact CD1-CG 3.66Å; Y190-P210 HydrophobicContact CD2-CG 4.02Å; Y190-P210 HydrophobicContact CE1-CG 4.28Å; Y190-P210 HydrophobicContact CG-CG 3.52Å; Y190-L212 HydrophobicContact CD1-CD2 4.08Å; Y190-L212 HydrophobicContact CE1-CD2 3.59Å; Y190-T216 CarbonylContact C-O 3.53Å; Y190-T216 WeakPolarHBondContact CA-O 3.31Å; Y190-D217 HydrophobicContact CD1-CB 3.96Å; Y190-D217 HydrophobicContact CE1-CB 3.51Å |
| 191 | R | 93.3 | Very high | 89.6 | Confident | 106 Ų | 106 | 55.2 Ų | 55.2 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.4 | 178.3 | -172.7 | -177.9 | -63.4 | 178.5 | 2.7 | 110 | I193 T198 Y215 T216 V218 | R191-I193 PolarHBondContact O-N 3.12Å; R191-T198 HydrophobicContact CB-CG2 4.36Å; R191-T198 HydrophobicContact CG-CG2 4.36Å; R191-Y215 WeakPolarHBondContact O-CA 3.39Å; R191-T216 PolarHBondContact N-O 3.47Å; R191-T216 PolarHBondContact O-N 3.27Å; R191-V218 HydrophobicContact CB-CG2 3.8Å |
| 192 | H | 93.5 | Very high | 91.5 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 9% | 0.093 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 129.5 | 174 | -168.6 | -52.4 | 0 | 0 | 0 | 109.4 | V194 K195 R196 T197 E214 Y215 | H192-V194 PolarHBondContact ND1-N 3.2Å; H192-V194 VanDerWaalsContact ND1-N 3.18Å; H192-V194 PolarHBondContact O-N 2.67Å; H192-K195 HydrophobicContact CB-CB 4.26Å; H192-K195 PolarHBondContact ND1-N 2.83Å; H192-K195 VanDerWaalsContact ND1-N 3.16Å; H192-R196 VanDerWaalsContact O-CA 3.3Å; H192-R196 WeakPolarHBondContact O-CA 3.19Å; H192-R196 PolarHBondContact O-N 2.97Å; H192-R196 VanDerWaalsContact O-N 3.07Å; H192-T197 WeakPolarHBondContact CB-O 3.4Å; H192-T197 PolarHBondContact N-O 3.1Å; H192-E214 WeakPolarHBondContact CA-O 3.43Å; H192-Y215 HydrophobicContact CB-CD1 3.99Å; H192-Y215 HydrophobicContact CB-CE1 3.62Å; H192-Y215 AromaticContact CD2-CE2 3.99Å; H192-Y215 AromaticContact CD2-CZ 3.67Å |
| 193 | I | 91.2 | Very high | 92.6 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 41% | 0.41 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -48.2 | -172.7 | -66.6 | 165.1 | 0 | 0 | 0 | 111 | R191 T213 E214 T216 | R191-I193 PolarHBondContact O-N 3.12Å; I193-T213 WeakPolarHBondContact CD1-O 3.28Å; I193-E214 WeakPolarHBondContact CG1-O 3.22Å; I193-E214 PolarHBondContact N-O 3.3Å; I193-T216 WeakPolarHBondContact CG1-OG1 3.4Å |
| 194 | V | 89.2 | Confident | 92.6 | Very high | 119 Ų | 119 | 47.2 Ų | 47.2 | 72% | 0.721 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -59.9 | 180 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | H192 R196 | H192-V194 PolarHBondContact ND1-N 3.2Å; H192-V194 VanDerWaalsContact ND1-N 3.18Å; H192-V194 PolarHBondContact O-N 2.67Å; V194-R196 PolarHBondContact O-N 3.1Å |
| 195 | K | 86.8 | Confident | 92.6 | Very high | 137 Ų | 137 | 48.2 Ų | 48.2 | 60% | 0.596 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.2 | -172 | -65.1 | -177.2 | 178.9 | 175.1 | 0 | 114.2 | H192 T197 D297 | H192-K195 HydrophobicContact CB-CB 4.26Å; H192-K195 PolarHBondContact ND1-N 2.83Å; H192-K195 VanDerWaalsContact ND1-N 3.16Å; K195-T197 HydrophobicContact CB-CG2 4.23Å; K195-T197 PolarHBondContact O-N 3.08Å; K195-D297 WeakPolarHBondContact O-CB 3.31Å |
| 196 | R | 85 | Confident | 92.4 | Very high | 126 Ų | 126 | 52.2 Ų | 52.2 | 48% | 0.475 | 28% | 0.281 | S | S | . | . | trans | 55.9 | 0.4 | -174.1 | -55.6 | -63.6 | -171.4 | 172.6 | 2.7 | 115.8 | H192 V194 D297 Q300 | H192-R196 VanDerWaalsContact O-CA 3.3Å; H192-R196 WeakPolarHBondContact O-CA 3.19Å; H192-R196 PolarHBondContact O-N 2.97Å; H192-R196 VanDerWaalsContact O-N 3.07Å; V194-R196 PolarHBondContact O-N 3.1Å; R196-D297 HydrophobicContact CB-CB 3.77Å; R196-Q300 PolarHBondContact O-NE2 3.38Å | ||
| 197 | T | 89.9 | Confident | 92.1 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | trans | -58.8 | 157.3 | 168.7 | 57.4 | 0 | 0 | 0 | 0 | 111 | H192 K195 D297 L299 | H192-T197 WeakPolarHBondContact CB-O 3.4Å; H192-T197 PolarHBondContact N-O 3.1Å; K195-T197 HydrophobicContact CB-CG2 4.23Å; K195-T197 PolarHBondContact O-N 3.08Å; T197-D297 VanDerWaalsContact CG2-O 3.31Å; T197-D297 WeakPolarHBondContact CG2-O 3.43Å; T197-L299 VanDerWaalsContact CA-O 3.3Å; T197-L299 WeakPolarHBondContact CA-O 3.23Å; T197-L299 WeakPolarHBondContact CB-O 3.3Å | ||
| 198 | T | 92 | Very high | 91.9 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147 | 179.8 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | L189 Y190 R191 L299 Q300 T301 | L189-T198 HydrophobicContact CD1-CG2 4.18Å; L189-T198 HydrophobicContact CG-CG2 4.42Å; Y190-T198 CarbonylContact O-C 3.56Å; Y190-T198 WeakPolarHBondContact O-CA 3.38Å; Y190-T198 VanDerWaalsContact O-CB 3.31Å; Y190-T198 WeakPolarHBondContact O-CB 3.43Å; R191-T198 HydrophobicContact CB-CG2 4.36Å; R191-T198 HydrophobicContact CG-CG2 4.36Å; T198-L299 PolarHBondContact N-O 2.81Å; T198-L299 VanDerWaalsContact N-O 3.12Å; T198-Q300 VanDerWaalsContact CG2-OE1 3.29Å; T198-Q300 VanDerWaalsContact OG1-CA 3.29Å; T198-Q300 WeakPolarHBondContact OG1-CA 3.23Å; T198-T301 PolarHBondContact OG1-N 3.45Å |
| 199 | V | 93.2 | Very high | 91.7 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 163.4 | 170.1 | -60.2 | 0 | 0 | 0 | 0 | 109.1 | Y190 P210 Y215 | Y190-V199 PolarHBondContact N-O 2.92Å; Y190-V199 PolarHBondContact O-N 3.26Å; V199-P210 HydrophobicContact CG2-CB 3.86Å; V199-P210 HydrophobicContact CG2-CG 3.76Å; V199-Y215 HydrophobicContact CB-CE1 4.38Å; V199-Y215 HydrophobicContact CG1-CE1 3.94Å; V199-Y215 HydrophobicContact CG2-CD1 3.76Å; V199-Y215 HydrophobicContact CG2-CE1 3.61Å |
| 200 | I | 95.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.6 | 178 | 63.3 | 175 | 0 | 0 | 0 | 110.9 | V187 R188 L189 F202 F221 Y253 T301 F327 | V187-I200 HydrophobicContact CG1-CB 3.94Å; V187-I200 HydrophobicContact CG1-CD1 4.04Å; V187-I200 HydrophobicContact CG1-CG1 4.42Å; V187-I200 HydrophobicContact CG1-CG2 4.44Å; R188-I200 VanDerWaalsContact O-CA 3.3Å; R188-I200 WeakPolarHBondContact O-CA 3.35Å; L189-I200 HydrophobicContact CD1-CG2 3.95Å; I200-F202 HydrophobicContact CD1-CE2 4.34Å; I200-F202 HydrophobicContact CD1-CZ 4.21Å; I200-F221 HydrophobicContact CG2-CE1 3.77Å; I200-F221 HydrophobicContact CG2-CZ 3.72Å; I200-Y253 HydrophobicContact CD1-CD2 3.63Å; I200-Y253 HydrophobicContact CD1-CE2 4.19Å; I200-Y253 HydrophobicContact CD1-CG 4.4Å; I200-Y253 HydrophobicContact CG1-CD2 3.55Å; I200-Y253 HydrophobicContact CG1-CE2 3.6Å; I200-T301 HydrophobicContact CG2-CG2 3.68Å; I200-F327 HydrophobicContact CD1-CE1 3.88Å; I200-F327 HydrophobicContact CD1-CZ 3.8Å |
| 201 | A | 95.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 159 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | V187 R188 Y190 T208 V209 | V187-A201 CarbonylContact C-O 3.46Å; V187-A201 WeakPolarHBondContact CA-O 3.34Å; R188-A201 PolarHBondContact N-O 3.18Å; R188-A201 PolarHBondContact O-N 3.23Å; Y190-A201 HydrophobicContact CD2-CB 4.09Å; Y190-A201 HydrophobicContact CE2-CB 3.6Å; A201-T208 WeakPolarHBondContact CA-OG1 3.44Å; A201-T208 VanDerWaalsContact CB-O 3.26Å; A201-T208 WeakPolarHBondContact CB-O 3.34Å; A201-T208 WeakPolarHBondContact CB-OG1 3.49Å; A201-V209 HydrophobicContact CB-CG2 4.25Å |
| 202 | F | 95.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.8 | -179.2 | -65.6 | -94.4 | 0 | 0 | 0 | 109.2 | V187 I200 G204 L205 T208 V224 Y253 I274 F327 | V187-F202 HydrophobicContact CB-CE1 4.38Å; V187-F202 HydrophobicContact CG1-CD1 4.35Å; V187-F202 HydrophobicContact CG1-CE1 4Å; V187-F202 HydrophobicContact CG1-CZ 4.14Å; V187-F202 HydrophobicContact CG2-CD1 3.83Å; V187-F202 HydrophobicContact CG2-CE1 3.55Å; V187-F202 HydrophobicContact CG2-CZ 4.42Å; I200-F202 HydrophobicContact CD1-CE2 4.34Å; I200-F202 HydrophobicContact CD1-CZ 4.21Å; F202-G204 PolarHBondContact O-N 3.04Å; F202-L205 HydrophobicContact CB-CB 4.24Å; F202-L205 HydrophobicContact CB-CD1 3.88Å; F202-L205 HydrophobicContact CB-CG 4.25Å; F202-L205 PolarHBondContact O-N 2.54Å; F202-T208 HydrophobicContact CD2-CG2 4.22Å; F202-T208 PolarHBondContact N-OG1 2.81Å; F202-V224 HydrophobicContact CD1-CG2 3.74Å; F202-V224 HydrophobicContact CE1-CG1 4.37Å; F202-V224 HydrophobicContact CE1-CG2 3.73Å; F202-Y253 HydrophobicContact CD2-CE1 4.29Å; F202-Y253 AromaticContact CE2-CD1 3.75Å; F202-Y253 HydrophobicContact CE2-CD1 3.75Å; F202-Y253 HydrophobicContact CE2-CD2 4.02Å; F202-Y253 AromaticContact CE2-CE1 3.73Å; F202-Y253 HydrophobicContact CE2-CE1 3.73Å; F202-Y253 AromaticContact CE2-CE2 3.99Å; F202-Y253 HydrophobicContact CE2-CE2 3.99Å; F202-Y253 AromaticContact CE2-CG 3.88Å; F202-Y253 HydrophobicContact CE2-CG 3.88Å; F202-Y253 AromaticContact CE2-CZ 3.84Å; F202-Y253 HydrophobicContact CZ-CD1 4.38Å; F202-Y253 HydrophobicContact CZ-CG 4.28Å; F202-I274 HydrophobicContact CD1-CD1 3.7Å; F202-I274 HydrophobicContact CD2-CB 4.41Å; F202-I274 HydrophobicContact CD2-CD1 3.95Å; F202-I274 HydrophobicContact CD2-CG1 4.14Å; F202-I274 HydrophobicContact CE1-CD1 3.27Å; F202-I274 HydrophobicContact CE1-CG1 4.39Å; F202-I274 HydrophobicContact CE2-CD1 3.56Å; F202-I274 HydrophobicContact CE2-CG1 3.83Å; F202-I274 HydrophobicContact CG-CD1 4.04Å; F202-I274 HydrophobicContact CZ-CD1 3.2Å; F202-I274 HydrophobicContact CZ-CG1 3.98Å; F202-F327 HydrophobicContact CE1-CZ 4.27Å; F202-F327 HydrophobicContact CZ-CE1 4.27Å; F202-F327 AromaticContact CZ-CZ 3.91Å; F202-F327 HydrophobicContact CZ-CZ 3.91Å |
| 203 | E | 92.6 | Very high | 91.5 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 31% | 0.313 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 132.6 | -179.1 | -79.6 | -176.5 | 177.7 | 0 | 0 | 111.8 | V185 N186 R188 L205 | V185-E203 WeakPolarHBondContact CG1-O 3.38Å; N186-E203 VanDerWaalsContact CB-CD 3.49Å; N186-E203 HydrophobicContact CB-CG 4.07Å; N186-E203 WeakPolarHBondContact CB-OE2 3.36Å; N186-E203 PolarHBondContact ND2-OE2 2.86Å; N186-E203 VanDerWaalsContact ND2-OE2 3.14Å; N186-E203 PolarHBondContact O-N 3.28Å; R188-E203 WeakPolarHBondContact CD-OE1 3.29Å; R188-E203 HydrophobicContact CG-CG 3.87Å; R188-E203 IonicContact CZ-OE1 2.73Å; R188-E203 IonicContact NH1-OE1 3.48Å; R188-E203 PolarHBondContact NH1-OE1 2.8Å; E203-L205 VanDerWaalsContact C-N 3.29Å |
| 204 | G | 88 | Confident | 91.6 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 86% | 0.856 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -8.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F202 | F202-G204 PolarHBondContact O-N 3.04Š|
| 205 | L | 91.1 | Very high | 91.9 | Very high | 54 Ų | 54 | 61 Ų | 61 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | trans | -107.5 | 85.3 | 177.4 | -59 | -174.8 | 0 | 0 | 0 | 110.5 | F202 E203 N207 T208 I274 | F202-L205 HydrophobicContact CB-CB 4.24Å; F202-L205 HydrophobicContact CB-CD1 3.88Å; F202-L205 HydrophobicContact CB-CG 4.25Å; F202-L205 PolarHBondContact O-N 2.54Å; E203-L205 VanDerWaalsContact C-N 3.29Å; L205-N207 PolarHBondContact O-N 3.32Å; L205-T208 HydrophobicContact CB-CG2 3.99Å; L205-T208 PolarHBondContact O-N 2.85Å; L205-T208 PolarHBondContact O-OG1 2.88Å; L205-I274 HydrophobicContact CD1-CB 3.92Å; L205-I274 HydrophobicContact CD1-CG2 4.32Å; L205-I274 WeakPolarHBondContact CD1-O 3.28Å | ||
| 206 | S | 88.8 | Confident | 92.3 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 72% | 0.72 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -59 | -29.7 | -175.1 | 53.9 | 0 | 0 | 0 | 0 | 114 | T208 V209 | S206-T208 PolarHBondContact O-N 3.41Å; S206-V209 PolarHBondContact O-N 2.85Å |
| 207 | N | 89 | Confident | 92.8 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -68.4 | -12 | 176.2 | 66.9 | -41.8 | 0 | 0 | 0 | 114 | L205 E272 | L205-N207 PolarHBondContact O-N 3.32Å; N207-E272 PolarHBondContact ND2-OE1 2.79Å |
| 208 | T | 92.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -96 | -11.7 | 175.3 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | A201 F202 L205 S206 Y253 | A201-T208 WeakPolarHBondContact CA-OG1 3.44Å; A201-T208 VanDerWaalsContact CB-O 3.26Å; A201-T208 WeakPolarHBondContact CB-O 3.34Å; A201-T208 WeakPolarHBondContact CB-OG1 3.49Å; F202-T208 HydrophobicContact CD2-CG2 4.22Å; F202-T208 PolarHBondContact N-OG1 2.81Å; L205-T208 HydrophobicContact CB-CG2 3.99Å; L205-T208 PolarHBondContact O-N 2.85Å; L205-T208 PolarHBondContact O-OG1 2.88Å; S206-T208 PolarHBondContact O-N 3.41Å; T208-Y253 WeakPolarHBondContact CB-OH 3.4Å; T208-Y253 HydrophobicContact CG2-CE1 4.49Å |
| 209 | V | 93.5 | Very high | 93 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | trans | -76.4 | 126 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | A201 S206 L212 | A201-V209 HydrophobicContact CB-CG2 4.25Å; S206-V209 PolarHBondContact O-N 2.85Å; V209-L212 HydrophobicContact CG1-CD2 4.27Å | ||
| 210 | P | 92.7 | Very high | 93.1 | Very high | 24 Ų | 24 | 57.2 Ų | 57.2 | 16% | 0.156 | 34% | 0.344 | C | S | . | . | trans | -74.3 | 170.5 | 179.1 | 32.9 | -37.3 | 0 | 0 | 0 | 112.1 | Y190 V199 L212 Y215 | Y190-P210 HydrophobicContact CD1-CG 3.66Å; Y190-P210 HydrophobicContact CD2-CG 4.02Å; Y190-P210 HydrophobicContact CE1-CG 4.28Å; Y190-P210 HydrophobicContact CG-CG 3.52Å; V199-P210 HydrophobicContact CG2-CB 3.86Å; V199-P210 HydrophobicContact CG2-CG 3.76Å; P210-L212 PolarHBondContact O-N 2.86Å; P210-L212 VanDerWaalsContact O-N 3.11Å; P210-Y215 HydrophobicContact CB-CD1 4.45Å; P210-Y215 HydrophobicContact CB-CD2 3.75Å; P210-Y215 HydrophobicContact CB-CE2 4.22Å; P210-Y215 HydrophobicContact CB-CG 3.89Å; P210-Y215 HydrophobicContact CG-CD1 4.46Å; P210-Y215 HydrophobicContact CG-CD2 4.36Å; P210-Y215 HydrophobicContact CG-CG 4.01Å | ||
| 211 | N | 92.8 | Very high | 93 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | trans | -63.7 | 111.7 | 174.2 | -176.5 | 6.7 | 0 | 0 | 0 | 111.2 | T213 E214 Y215 | N211-T213 VanDerWaalsContact CG-OG1 3.25Å; N211-T213 PolarHBondContact ND2-OG1 2.89Å; N211-T213 PolarHBondContact O-N 3Å; N211-T213 VanDerWaalsContact O-N 3.17Å; N211-T213 PolarHBondContact OD1-N 2.82Å; N211-T213 PolarHBondContact OD1-OG1 3.01Å; N211-E214 PolarHBondContact ND2-OE1 2.78Å; N211-E214 VanDerWaalsContact ND2-OE1 3.13Å; N211-E214 PolarHBondContact O-N 3.48Å; N211-Y215 PolarHBondContact O-N 2.9Å | ||
| 212 | L | 92.1 | Very high | 93 | Very high | 108 Ų | 108 | 58.2 Ų | 58.2 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.1 | -176.2 | -59 | -178 | 0 | 0 | 0 | 114.1 | Y190 V209 P210 E214 | Y190-L212 HydrophobicContact CD1-CD2 4.08Å; Y190-L212 HydrophobicContact CE1-CD2 3.59Å; V209-L212 HydrophobicContact CG1-CD2 4.27Å; P210-L212 PolarHBondContact O-N 2.86Å; P210-L212 VanDerWaalsContact O-N 3.11Å; L212-E214 VanDerWaalsContact C-N 3.31Å |
| 213 | T | 93.6 | Very high | 93 | Very high | 109 Ų | 109 | 58.1 Ų | 58.1 | 67% | 0.669 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -21.3 | 168.8 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | I193 N211 | I193-T213 WeakPolarHBondContact CD1-O 3.28Å; N211-T213 VanDerWaalsContact CG-OG1 3.25Å; N211-T213 PolarHBondContact ND2-OG1 2.89Å; N211-T213 PolarHBondContact O-N 3Å; N211-T213 VanDerWaalsContact O-N 3.17Å; N211-T213 PolarHBondContact OD1-N 2.82Å; N211-T213 PolarHBondContact OD1-OG1 3.01Å |
| 214 | E | 93.5 | Very high | 93.2 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -24.3 | -179.1 | -70.4 | 171.8 | -137.4 | 0 | 0 | 112.9 | H192 I193 N211 L212 | H192-E214 WeakPolarHBondContact CA-O 3.43Å; I193-E214 WeakPolarHBondContact CG1-O 3.22Å; I193-E214 PolarHBondContact N-O 3.3Å; N211-E214 PolarHBondContact ND2-OE1 2.78Å; N211-E214 VanDerWaalsContact ND2-OE1 3.13Å; N211-E214 PolarHBondContact O-N 3.48Å; L212-E214 VanDerWaalsContact C-N 3.31Å |
| 215 | Y | 95.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 51 Ų | 51 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.4 | -174.6 | -71.2 | -96.6 | 0 | 0 | 0 | 112.1 | R191 H192 V199 P210 N211 | R191-Y215 WeakPolarHBondContact O-CA 3.39Å; H192-Y215 HydrophobicContact CB-CD1 3.99Å; H192-Y215 HydrophobicContact CB-CE1 3.62Å; H192-Y215 AromaticContact CD2-CE2 3.99Å; H192-Y215 AromaticContact CD2-CZ 3.67Å; V199-Y215 HydrophobicContact CB-CE1 4.38Å; V199-Y215 HydrophobicContact CG1-CE1 3.94Å; V199-Y215 HydrophobicContact CG2-CD1 3.76Å; V199-Y215 HydrophobicContact CG2-CE1 3.61Å; P210-Y215 HydrophobicContact CB-CD1 4.45Å; P210-Y215 HydrophobicContact CB-CD2 3.75Å; P210-Y215 HydrophobicContact CB-CE2 4.22Å; P210-Y215 HydrophobicContact CB-CG 3.89Å; P210-Y215 HydrophobicContact CG-CD1 4.46Å; P210-Y215 HydrophobicContact CG-CD2 4.36Å; P210-Y215 HydrophobicContact CG-CG 4.01Å; N211-Y215 PolarHBondContact O-N 2.9Å |
| 216 | T | 95.2 | Very high | 93.6 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.5 | 169.9 | -52.2 | 0 | 0 | 0 | 0 | 109.8 | Y190 R191 I193 V218 | Y190-T216 CarbonylContact C-O 3.53Å; Y190-T216 WeakPolarHBondContact CA-O 3.31Å; R191-T216 PolarHBondContact N-O 3.47Å; R191-T216 PolarHBondContact O-N 3.27Å; I193-T216 WeakPolarHBondContact CG1-OG1 3.4Å; T216-V218 PolarHBondContact O-N 3.11Å |
| 217 | D | 95.2 | Very high | 93.7 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 118 | 170.9 | -170 | -5.3 | 0 | 0 | 0 | 109.9 | R188 Y190 G219 | R188-D217 IonicContact CZ-OD1 2.6Å; R188-D217 IonicContact CZ-OD2 3.38Å; R188-D217 VanDerWaalsContact CZ-OD2 3.24Å; R188-D217 IonicContact NE-OD1 2.67Å; R188-D217 PolarHBondContact NE-OD1 2.76Å; R188-D217 IonicContact NE-OD2 3.66Å; R188-D217 PolarHBondContact NE-OD2 3.11Å; R188-D217 IonicContact NH2-OD1 3.17Å; R188-D217 PolarHBondContact NH2-OD1 3.34Å; R188-D217 IonicContact NH2-OD2 2.66Å; R188-D217 PolarHBondContact NH2-OD2 2.98Å; Y190-D217 HydrophobicContact CD1-CB 3.96Å; Y190-D217 HydrophobicContact CE1-CB 3.51Å; D217-G219 WeakPolarHBondContact OD1-CA 3.43Å; D217-G219 PolarHBondContact OD1-N 2.87Å |
| 218 | V | 94 | Very high | 93.6 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 47% | 0.473 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -27.1 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | L189 R191 T216 | L189-V218 HydrophobicContact CB-CB 4.22Å; L189-V218 HydrophobicContact CD2-CB 4.42Å; L189-V218 HydrophobicContact CD2-CG1 4.37Å; L189-V218 HydrophobicContact CG-CB 4.43Å; L189-V218 HydrophobicContact CG-CG2 4.47Å; L189-V218 WeakPolarHBondContact O-CA 3.38Å; L189-V218 VanDerWaalsContact O-CB 3.25Å; L189-V218 WeakPolarHBondContact O-CB 3.46Å; L189-V218 PolarHBondContact O-N 3.1Å; R191-V218 HydrophobicContact CB-CG2 3.8Å; T216-V218 PolarHBondContact O-N 3.11Å |
| 219 | G | 93.5 | Very high | 93.4 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118 | 178.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | R188 L189 D217 F221 | R188-G219 WeakPolarHBondContact CA-O 3.32Å; L189-G219 PolarHBondContact N-O 3.43Å; D217-G219 WeakPolarHBondContact OD1-CA 3.43Å; D217-G219 PolarHBondContact OD1-N 2.87Å; G219-F221 PolarHBondContact O-N 3.02Å |
| 220 | P | 94.8 | Very high | 92.9 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 26% | 0.26 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.5 | 178 | 31.9 | -33.4 | 0 | 0 | 0 | 109.9 | N186 V187 P332 | N186-P220 HydrophobicContact CB-CB 3.75Å; V187-P220 WeakPolarHBondContact O-CA 3.33Å; P220-P332 HydrophobicContact CB-CB 3.92Å; P220-P332 HydrophobicContact CG-CB 4.46Å |
| 221 | F | 93.2 | Very high | 92.5 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | -10.9 | -178.1 | 81.1 | -62.6 | 0 | 0 | 0 | 113.3 | V187 L189 I200 G219 V290 T301 V303 | V187-F221 HydrophobicContact CB-CE1 4.02Å; V187-F221 HydrophobicContact CG1-CE1 3.73Å; V187-F221 HydrophobicContact CG1-CZ 4.41Å; V187-F221 WeakPolarHBondContact O-CD1 2.96Å; V187-F221 PolarHBondContact O-N 2.83Å; L189-F221 HydrophobicContact CB-CD1 3.74Å; L189-F221 HydrophobicContact CB-CE1 4.12Å; L189-F221 HydrophobicContact CB-CG 4.12Å; L189-F221 HydrophobicContact CD1-CE1 4.48Å; L189-F221 HydrophobicContact CD1-CZ 4.43Å; I200-F221 HydrophobicContact CG2-CE1 3.77Å; I200-F221 HydrophobicContact CG2-CZ 3.72Å; G219-F221 PolarHBondContact O-N 3.02Å; F221-V290 HydrophobicContact CE2-CG1 4.38Å; F221-V290 HydrophobicContact CZ-CG1 4.08Å; F221-V290 HydrophobicContact CZ-CG2 4.43Å; F221-T301 HydrophobicContact CE2-CG2 4.09Å; F221-T301 HydrophobicContact CZ-CG2 3.87Å; F221-V303 HydrophobicContact CD2-CB 4.25Å; F221-V303 HydrophobicContact CD2-CG1 3.47Å; F221-V303 VanDerWaalsContact CD2-CG1 3.47Å; F221-V303 HydrophobicContact CD2-CG2 3.96Å; F221-V303 HydrophobicContact CE2-CB 4.49Å; F221-V303 HydrophobicContact CE2-CG1 3.5Å |
| 222 | A | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 174.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N186 V187 V290 V303 A329 W330 | N186-A222 WeakPolarHBondContact CA-O 3.46Å; V187-A222 HydrophobicContact CB-CB 4.34Å; V187-A222 HydrophobicContact CG2-CB 4.46Å; V187-A222 PolarHBondContact N-O 3.4Å; A222-V290 HydrophobicContact CB-CG2 4.16Å; A222-V303 HydrophobicContact CB-CG1 4.23Å; A222-A329 HydrophobicContact CB-CB 3.88Å; A222-W330 CarbonylContact C-O 3.58Å; A222-W330 WeakPolarHBondContact CA-O 3.31Å |
| 223 | S | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.9 | 167.4 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | V185 A329 W330 D331 | V185-S223 CarbonylContact O-C 3.58Å; V185-S223 WeakPolarHBondContact O-CA 3.38Å; V185-S223 VanDerWaalsContact O-CB 3.31Å; V185-S223 WeakPolarHBondContact O-CB 3.2Å; S223-A329 WeakPolarHBondContact O-CB 3.46Å; S223-W330 PolarHBondContact N-O 2.85Å; S223-W330 PolarHBondContact O-N 2.8Å; S223-W330 WeakPolarHBondContact OG-CB 3.3Å; S223-D331 WeakPolarHBondContact CB-O 3.42Å; S223-D331 PolarHBondContact OG-O 2.8Å |
| 224 | V | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 164.3 | 177.2 | -62 | 0 | 0 | 0 | 0 | 110.4 | R184 V185 V187 F202 I240 F327 A329 | R184-V224 CarbonylContact C-O 3.48Å; R184-V224 WeakPolarHBondContact CA-O 3.3Å; V185-V224 HydrophobicContact CG2-CG2 3.69Å; V185-V224 PolarHBondContact N-O 3.22Å; V185-V224 PolarHBondContact O-N 3.09Å; V187-V224 HydrophobicContact CG2-CG1 3.81Å; V187-V224 HydrophobicContact CG2-CG2 4.15Å; F202-V224 HydrophobicContact CD1-CG2 3.74Å; F202-V224 HydrophobicContact CE1-CG1 4.37Å; F202-V224 HydrophobicContact CE1-CG2 3.73Å; V224-I240 HydrophobicContact CB-CD1 3.88Å; V224-I240 HydrophobicContact CG1-CD1 3.58Å; V224-I240 HydrophobicContact CG2-CD1 4.24Å; V224-F327 HydrophobicContact CG1-CD2 4.06Å; V224-F327 HydrophobicContact CG1-CE2 3.72Å; V224-A329 HydrophobicContact CG1-CB 4.35Å |
| 225 | V | 95 | Very high | 90 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 136.4 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | V183 V231 L237 G275 Q276 W330 | V183-V225 HydrophobicContact CG1-CG1 4Å; V225-V231 HydrophobicContact CG1-CG2 4.15Å; V225-V231 HydrophobicContact CG2-CG2 3.57Å; V225-L237 HydrophobicContact CB-CD2 4.41Å; V225-L237 HydrophobicContact CG1-CD1 4.1Å; V225-L237 HydrophobicContact CG2-CD2 4.02Å; V225-G275 CarbonylContact O-C 3.02Å; V225-G275 VanDerWaalsContact O-CA 3.32Å; V225-G275 WeakPolarHBondContact O-CA 3.49Å; V225-Q276 HydrophobicContact CB-CB 4.08Å; V225-Q276 HydrophobicContact CG1-CB 4.32Å; V225-Q276 PolarHBondContact N-O 3.33Å; V225-Q276 PolarHBondContact O-N 2.94Å; V225-W330 HydrophobicContact CG2-CH2 3.73Å; V225-W330 HydrophobicContact CG2-CZ2 4.38Å; V225-W330 HydrophobicContact CG2-CZ3 3.84Å |
| 226 | K | 92.9 | Very high | 89.2 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 140.8 | 174.9 | -73.5 | 175.5 | -171.4 | 172.7 | 0 | 110.3 | R182 V183 R184 V185 G228 S229 Q276 | R182-K226 WeakPolarHBondContact O-CD 3.36Å; R182-K226 WeakPolarHBondContact O-CE 3.37Å; R182-K226 PolarHBondContact O-NZ 3.42Å; V183-K226 WeakPolarHBondContact O-CB 3.22Å; V183-K226 WeakPolarHBondContact O-CG 3.47Å; V183-K226 PolarHBondContact O-N 3.17Å; R184-K226 WeakPolarHBondContact O-CE 3.31Å; V185-K226 HydrophobicContact CB-CG 4.4Å; V185-K226 HydrophobicContact CG1-CD 3.98Å; V185-K226 HydrophobicContact CG1-CG 3.48Å; V185-K226 VanDerWaalsContact CG1-CG 3.48Å; V185-K226 HydrophobicContact CG2-CG 4.23Å; K226-G228 PolarHBondContact O-N 3.04Å; K226-S229 WeakPolarHBondContact CB-OG 3.46Å; K226-S229 VanDerWaalsContact O-CB 3.29Å; K226-S229 WeakPolarHBondContact O-CB 3.27Å; K226-S229 PolarHBondContact O-N 2.88Å; K226-S229 PolarHBondContact O-OG 3.49Å; K226-Q276 PolarHBondContact O-OE1 3.24Å |
| 227 | N | 91 | Very high | 89 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 133.7 | 176 | -174.5 | 21.6 | 0 | 0 | 0 | 110.9 | S229 I273 | N227-S229 PolarHBondContact O-N 2.86Å; N227-I273 HydrophobicContact CB-CG2 4.34Å; N227-I273 PolarHBondContact ND2-O 2.86Å; N227-I273 VanDerWaalsContact ND2-O 3.11Å |
| 228 | G | 86.4 | Confident | 88.9 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 73% | 0.732 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 0 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K226 | K226-G228 PolarHBondContact O-N 3.04Š|
| 229 | S | 89.3 | Confident | 89 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | trans | -89 | 149.4 | 174.6 | -59.3 | 0 | 0 | 0 | 0 | 111 | K226 N227 Q276 | K226-S229 WeakPolarHBondContact CB-OG 3.46Å; K226-S229 VanDerWaalsContact O-CB 3.29Å; K226-S229 WeakPolarHBondContact O-CB 3.27Å; K226-S229 PolarHBondContact O-N 2.88Å; K226-S229 PolarHBondContact O-OG 3.49Å; N227-S229 PolarHBondContact O-N 2.86Å; S229-Q276 PolarHBondContact O-OE1 3.4Å | ||
| 230 | S | 82.6 | Confident | 89.2 | Confident | 102 Ų | 102 | 55 Ų | 55 | 71% | 0.713 | 30% | 0.303 | S | S | * | . | trans | -108.6 | 144.6 | 173.9 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 231 | V | 83.2 | Confident | 89.3 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -106.3 | 130.1 | 170.1 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | V183 V225 D233 C234 L237 | V183-V231 HydrophobicContact CG1-CG2 3.81Å; V225-V231 HydrophobicContact CG1-CG2 4.15Å; V225-V231 HydrophobicContact CG2-CG2 3.57Å; V231-D233 PolarHBondContact O-N 3.08Å; V231-C234 HydrophobicContact CB-CB 3.67Å; V231-C234 HydrophobicContact CG1-CB 3.79Å; V231-C234 WeakPolarHBondContact O-CB 3.47Å; V231-C234 PolarHBondContact O-N 3.13Å; V231-C234 VanDerWaalsContact O-N 3.08Å; V231-L237 HydrophobicContact CB-CD1 4.37Å; V231-L237 HydrophobicContact CG2-CD1 4.28Å |
| 232 | R | 80.1 | Confident | 89.5 | Confident | 221 Ų | 221 | 54.2 Ų | 54.2 | 83% | 0.834 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 133.7 | 178.4 | -162.7 | -175.1 | -170.1 | 170.6 | 3.2 | 109.2 | C234 | R232-C234 PolarHBondContact O-N 3.29Å; R232-C234 VanDerWaalsContact O-N 3.16Å |
| 233 | D | 77.8 | Confident | 89.5 | Confident | 128 Ų | 128 | 54.2 Ų | 54.2 | 68% | 0.684 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 19 | 179.7 | -46.4 | -43 | 0 | 0 | 0 | 114.7 | V231 | V231-D233 PolarHBondContact O-N 3.08Š|
| 234 | C | 83.4 | Confident | 89.4 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 9% | 0.088 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -119.2 | 93.3 | 176 | -171.4 | 0 | 0 | 0 | 0 | 111 | V231 R232 C284 | V231-C234 HydrophobicContact CB-CB 3.67Å; V231-C234 HydrophobicContact CG1-CB 3.79Å; V231-C234 WeakPolarHBondContact O-CB 3.47Å; V231-C234 PolarHBondContact O-N 3.13Å; V231-C234 VanDerWaalsContact O-N 3.08Å; R232-C234 PolarHBondContact O-N 3.29Å; R232-C234 VanDerWaalsContact O-N 3.16Å; C234-C284 WeakPolarHBondContact CA-SG 3.49Å; C234-C284 HydrophobicContact CB-CB 3.72Å; C234-C284 WeakPolarHBondContact CB-SG 3.47Å; C234-C284 WeakPolarHBondContact SG-CB 3.44Å; C234-C284 CovalentContact SG-SG 2.01Å; C234-C284 PolarHBondContact SG-SG 2.79Å |
| 235 | Q | 78.2 | Confident | 89.4 | Confident | 196 Ų | 196 | 56.8 Ų | 56.8 | 92% | 0.916 | 31% | 0.305 | S | S | * | . | trans | -89 | -19.5 | -179.2 | -63.9 | -173.6 | 10.2 | 0 | 0 | 113.5 | L237 | Q235-L237 VanDerWaalsContact C-N 3.28Å; Q235-L237 PolarHBondContact O-N 3.48Å | ||
| 236 | G | 79.6 | Confident | 89.1 | Confident | 26 Ų | 26 | 62 Ų | 62 | 27% | 0.268 | 33% | 0.33 | S | S | . | . | trans | -88.8 | 26.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K238 E283 | G236-K238 PolarHBondContact O-N 3.12Å; G236-E283 VanDerWaalsContact CA-OE1 3.32Å; G236-E283 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 237 | L | 90.8 | Very high | 88.9 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | trans | -69.5 | 126 | 175.2 | -70.5 | 176.6 | 0 | 0 | 0 | 110.7 | V225 V231 Q235 Q276 T277 V278 W330 | V225-L237 HydrophobicContact CB-CD2 4.41Å; V225-L237 HydrophobicContact CG1-CD1 4.1Å; V225-L237 HydrophobicContact CG2-CD2 4.02Å; V231-L237 HydrophobicContact CB-CD1 4.37Å; V231-L237 HydrophobicContact CG2-CD1 4.28Å; Q235-L237 VanDerWaalsContact C-N 3.28Å; Q235-L237 PolarHBondContact O-N 3.48Å; L237-Q276 HydrophobicContact CB-CB 4.41Å; L237-Q276 HydrophobicContact CD2-CB 4.49Å; L237-T277 CarbonylContact C-O 3.57Å; L237-T277 VanDerWaalsContact CA-O 3.26Å; L237-T277 WeakPolarHBondContact CA-O 3.3Å; L237-V278 HydrophobicContact CD2-CG1 4.08Å; L237-W330 HydrophobicContact CD2-CH2 4.21Å | ||
| 238 | K | 93.7 | Very high | 88.6 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.4 | 176.8 | 66.8 | 170.6 | 178.4 | 172.1 | 0 | 111.3 | G236 S255 Q276 T277 V278 | G236-K238 PolarHBondContact O-N 3.12Å; K238-S255 WeakPolarHBondContact CD-O 3.45Å; K238-S255 VanDerWaalsContact CE-O 3.31Å; K238-S255 WeakPolarHBondContact CE-O 3.39Å; K238-S255 PolarHBondContact NZ-O 2.66Å; K238-Q276 CarbonylContact O-C 3.37Å; K238-Q276 VanDerWaalsContact O-CA 3.22Å; K238-Q276 WeakPolarHBondContact O-CA 3.3Å; K238-T277 HydrophobicContact CD-CG2 4.49Å; K238-T277 HydrophobicContact CG-CG2 3.82Å; K238-T277 PolarHBondContact N-O 3.38Å; K238-T277 PolarHBondContact O-N 3.02Å; K238-V278 VanDerWaalsContact CE-O 3.23Å; K238-V278 WeakPolarHBondContact CE-O 3.31Å |
| 239 | P | 96.4 | Very high | 88.7 | Confident | 33 Ų | 33 | 75.9 Ų | 75.9 | 21% | 0.214 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 146.7 | -178.2 | 26.6 | -35.3 | 0 | 0 | 0 | 112.8 | Y241 S255 I273 | P239-Y241 HydrophobicContact CB-CD2 4.31Å; P239-Y241 HydrophobicContact CB-CE1 4.41Å; P239-Y241 HydrophobicContact CB-CE2 3.84Å; P239-Y241 HydrophobicContact CG-CD2 4.24Å; P239-Y241 HydrophobicContact CG-CE1 4.47Å; P239-Y241 HydrophobicContact CG-CE2 3.38Å; P239-Y241 WeakPolarHBondContact CG-OH 3.32Å; P239-S255 WeakPolarHBondContact O-CB 3.38Å; P239-I273 HydrophobicContact CB-CB 4.45Å; P239-I273 HydrophobicContact CB-CD1 3.88Å; P239-I273 HydrophobicContact CB-CG1 3.95Å; P239-I273 HydrophobicContact CB-CG2 3.65Å |
| 240 | I | 97.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.1 | 161.6 | -53.2 | 168.1 | 0 | 0 | 0 | 106.7 | V224 I273 I274 G275 T277 F327 | V224-I240 HydrophobicContact CB-CD1 3.88Å; V224-I240 HydrophobicContact CG1-CD1 3.58Å; V224-I240 HydrophobicContact CG2-CD1 4.24Å; I240-I273 WeakPolarHBondContact O-CA 3.22Å; I240-I274 HydrophobicContact CB-CD1 3.66Å; I240-I274 HydrophobicContact CB-CG1 4.33Å; I240-I274 HydrophobicContact CD1-CD1 4.16Å; I240-I274 HydrophobicContact CG2-CD1 3.56Å; I240-I274 HydrophobicContact CG2-CG1 4.08Å; I240-I274 PolarHBondContact O-N 3.29Å; I240-G275 PolarHBondContact N-O 2.88Å; I240-T277 HydrophobicContact CD1-CG2 4.3Å; I240-T277 HydrophobicContact CG1-CG2 3.65Å; I240-F327 HydrophobicContact CD1-CB 4.43Å; I240-F327 HydrophobicContact CD1-CD2 3.94Å; I240-F327 HydrophobicContact CD1-CE2 4.31Å; I240-F327 HydrophobicContact CD1-CG 4.08Å; I240-F327 HydrophobicContact CG1-CB 4.31Å; I240-F327 HydrophobicContact CG1-CG 4.36Å; I240-F327 HydrophobicContact CG2-CD1 3.85Å; I240-F327 HydrophobicContact CG2-CE1 4.23Å; I240-F327 HydrophobicContact CG2-CG 4.28Å |
| 241 | Y | 96.6 | Very high | 89.1 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 14% | 0.137 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 137.8 | -179.6 | -68.1 | -81.1 | 0 | 0 | 0 | 111.1 | P239 Y253 A254 I260 R270 I273 | P239-Y241 HydrophobicContact CB-CD2 4.31Å; P239-Y241 HydrophobicContact CB-CE1 4.41Å; P239-Y241 HydrophobicContact CB-CE2 3.84Å; P239-Y241 HydrophobicContact CG-CD2 4.24Å; P239-Y241 HydrophobicContact CG-CE1 4.47Å; P239-Y241 HydrophobicContact CG-CE2 3.38Å; P239-Y241 WeakPolarHBondContact CG-OH 3.32Å; Y241-Y253 VanDerWaalsContact O-CA 3.26Å; Y241-Y253 WeakPolarHBondContact O-CA 3.2Å; Y241-A254 PolarHBondContact N-O 3.1Å; Y241-A254 PolarHBondContact O-N 2.66Å; Y241-A254 VanDerWaalsContact O-N 3.1Å; Y241-I260 HydrophobicContact CD2-CD1 3.51Å; Y241-I260 HydrophobicContact CE2-CD1 4.15Å; Y241-I260 HydrophobicContact CG-CD1 4.36Å; Y241-R270 HydrophobicContact CD1-CG 3.77Å; Y241-R270 HydrophobicContact CE1-CG 4.36Å; Y241-R270 HydrophobicContact CG-CG 4.33Å; Y241-I273 HydrophobicContact CD1-CG1 3.72Å; Y241-I273 HydrophobicContact CE1-CD1 3.88Å; Y241-I273 HydrophobicContact CE1-CG1 3.46Å; Y241-I273 VanDerWaalsContact CE1-CG1 3.46Å |
| 242 | Q | 96.5 | Very high | 89.5 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.7 | 161.2 | -175.8 | -177.5 | 24.5 | 0 | 0 | 109.2 | T251 Y253 K271 E272 I274 | Q242-T251 HydrophobicContact CG-CG2 3.66Å; Q242-Y253 HydrophobicContact CB-CD1 4Å; Q242-Y253 HydrophobicContact CB-CE1 3.88Å; Q242-Y253 HydrophobicContact CG-CD1 4.2Å; Q242-Y253 HydrophobicContact CG-CE1 3.71Å; Q242-K271 HydrophobicContact CB-CB 4.2Å; Q242-K271 HydrophobicContact CG-CB 4.22Å; Q242-K271 PolarHBondContact O-N 3Å; Q242-E272 PolarHBondContact N-O 3.14Å; Q242-I274 HydrophobicContact CB-CG2 3.94Å |
| 243 | L | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.9 | 176.7 | -55.7 | 178.9 | 0 | 0 | 0 | 108.8 | T251 T252 A254 I260 M263 L264 Y268 Q269 R270 | L243-T251 CarbonylContact O-C 3.45Å; L243-T251 WeakPolarHBondContact O-CA 3.29Å; L243-T252 HydrophobicContact CB-CG2 3.98Å; L243-T252 HydrophobicContact CD1-CG2 4.44Å; L243-T252 PolarHBondContact N-O 2.66Å; L243-T252 PolarHBondContact O-N 2.84Å; L243-A254 HydrophobicContact CD1-CB 4.02Å; L243-I260 HydrophobicContact CD1-CG1 4.17Å; L243-I260 HydrophobicContact CD2-CG2 4.14Å; L243-M263 HydrophobicContact CD1-CB 4.14Å; L243-M263 HydrophobicContact CD1-CE 3.99Å; L243-M263 HydrophobicContact CD1-CG 4.5Å; L243-M263 HydrophobicContact CD1-SD 3.63Å; L243-L264 HydrophobicContact CD2-CD2 4.44Å; L243-Y268 HydrophobicContact CB-CD1 4.14Å; L243-Q269 WeakPolarHBondContact CA-O 3.35Å; L243-R270 HydrophobicContact CD2-CB 4.26Å; L243-R270 HydrophobicContact CD2-CG 4.31Å |
| 244 | Y | 95.3 | Very high | 91.2 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.8 | -179.6 | 176.8 | -111.6 | 0 | 0 | 0 | 111.2 | E246 E250 T251 Y268 Q269 | Y244-E246 HydrophobicContact CD1-CG 4.43Å; Y244-E246 HydrophobicContact CE1-CG 3.95Å; Y244-E246 WeakPolarHBondContact CE1-OE1 3.48Å; Y244-E246 VanDerWaalsContact CE1-OE2 3.31Å; Y244-E246 WeakPolarHBondContact CE1-OE2 3.48Å; Y244-E246 PolarHBondContact OH-OE2 2.94Å; Y244-E250 WeakPolarHBondContact CA-O 3.43Å; Y244-E250 WeakPolarHBondContact CD2-O 3.33Å; Y244-T251 WeakPolarHBondContact CD2-OG1 3.42Å; Y244-Y268 CarbonylContact O-C 3.59Å; Y244-Y268 WeakPolarHBondContact O-CA 3.3Å; Y244-Q269 PolarHBondContact N-O 2.84Å; Y244-Q269 PolarHBondContact O-N 2.73Å |
| 245 | S | 94.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.5 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | L247 R248 R249 E250 | S245-L247 VanDerWaalsContact C-N 3.31Å; S245-R248 PolarHBondContact O-N 3.06Å; S245-R248 PolarHBondContact OG-N 3.06Å; S245-R249 VanDerWaalsContact O-CA 3.23Å; S245-R249 WeakPolarHBondContact O-CA 3.33Å; S245-R249 PolarHBondContact O-N 3Å; S245-E250 PolarHBondContact N-O 2.79Å; S245-E250 PolarHBondContact O-N 2.88Å |
| 246 | E | 90.6 | Very high | 92.3 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -39.2 | 172.7 | -69 | -69 | 178.8 | 0 | 0 | 111.5 | Y244 R248 R249 | Y244-E246 HydrophobicContact CD1-CG 4.43Å; Y244-E246 HydrophobicContact CE1-CG 3.95Å; Y244-E246 WeakPolarHBondContact CE1-OE1 3.48Å; Y244-E246 VanDerWaalsContact CE1-OE2 3.31Å; Y244-E246 WeakPolarHBondContact CE1-OE2 3.48Å; Y244-E246 PolarHBondContact OH-OE2 2.94Å; E246-R248 VanDerWaalsContact C-N 3.34Å; E246-R248 PolarHBondContact O-N 3.22Å; E246-R249 WeakPolarHBondContact O-CG 3.49Å; E246-R249 PolarHBondContact O-N 3.21Å |
| 247 | L | 87.6 | Confident | 92.7 | Very high | 160 Ų | 160 | 54.5 Ų | 54.5 | 84% | 0.838 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -42.2 | -179.4 | -178.5 | 66 | 0 | 0 | 0 | 111.5 | S245 | S245-L247 VanDerWaalsContact C-N 3.31Š|
| 248 | R | 85.5 | Confident | 92.4 | Very high | 151 Ų | 151 | 63.1 Ų | 63.1 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -8.5 | -178.8 | -62.2 | -177.6 | -179.1 | -164.7 | -0.2 | 113.4 | S245 E246 E250 Y268 | S245-R248 PolarHBondContact O-N 3.06Å; S245-R248 PolarHBondContact OG-N 3.06Å; E246-R248 VanDerWaalsContact C-N 3.34Å; E246-R248 PolarHBondContact O-N 3.22Å; R248-E250 HydrophobicContact CB-CB 4.4Å; R248-E250 HydrophobicContact CB-CG 3.77Å; R248-E250 WeakPolarHBondContact CD-OE1 3.48Å; R248-E250 IonicContact NH1-OE1 2.92Å; R248-E250 PolarHBondContact O-N 2.98Å; R248-Y268 PolarHBondContact NH1-OH 3.26Å |
| 249 | R | 88 | Confident | 92 | Very high | 213 Ų | 213 | 62.8 Ų | 62.8 | 80% | 0.804 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 44.1 | -172.7 | -59.3 | -176.2 | 177.6 | -172.4 | -1.1 | 112.3 | S245 E246 | S245-R249 VanDerWaalsContact O-CA 3.23Å; S245-R249 WeakPolarHBondContact O-CA 3.33Å; S245-R249 PolarHBondContact O-N 3Å; E246-R249 WeakPolarHBondContact O-CG 3.49Å; E246-R249 PolarHBondContact O-N 3.21Å |
| 250 | E | 87.9 | Confident | 91.7 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 23% | 0.229 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.5 | -175.5 | 77.5 | -175.6 | 171.5 | 0 | 0 | 111.9 | Y244 S245 R248 Y268 | Y244-E250 WeakPolarHBondContact CA-O 3.43Å; Y244-E250 WeakPolarHBondContact CD2-O 3.33Å; S245-E250 PolarHBondContact N-O 2.79Å; S245-E250 PolarHBondContact O-N 2.88Å; R248-E250 HydrophobicContact CB-CB 4.4Å; R248-E250 HydrophobicContact CB-CG 3.77Å; R248-E250 WeakPolarHBondContact CD-OE1 3.48Å; R248-E250 IonicContact NH1-OE1 2.92Å; R248-E250 PolarHBondContact O-N 2.98Å; E250-Y268 HydrophobicContact CG-CE1 4.15Å; E250-Y268 PolarHBondContact OE1-OH 2.78Å |
| 251 | T | 91.8 | Very high | 91.4 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 37% | 0.368 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 135.2 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 108.9 | Q242 L243 Y244 Y253 | Q242-T251 HydrophobicContact CG-CG2 3.66Å; L243-T251 CarbonylContact O-C 3.45Å; L243-T251 WeakPolarHBondContact O-CA 3.29Å; Y244-T251 WeakPolarHBondContact CD2-OG1 3.42Å; T251-Y253 HydrophobicContact CG2-CE1 4.2Å; T251-Y253 HydrophobicContact CG2-CE2 4.19Å |
| 252 | T | 92.8 | Very high | 90.9 | Very high | 14 Ų | 14 | 67.6 Ų | 67.6 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 174.7 | 170.4 | -161.3 | 0 | 0 | 0 | 0 | 110.9 | L243 M263 Y268 R324 | L243-T252 HydrophobicContact CB-CG2 3.98Å; L243-T252 HydrophobicContact CD1-CG2 4.44Å; L243-T252 PolarHBondContact N-O 2.66Å; L243-T252 PolarHBondContact O-N 2.84Å; T252-M263 HydrophobicContact CG2-CE 3.35Å; T252-M263 HydrophobicContact CG2-SD 4.26Å; T252-Y268 HydrophobicContact CG2-CD1 4.5Å; T252-Y268 HydrophobicContact CG2-CE1 4.13Å; T252-R324 PolarHBondContact OG1-NH2 3.27Å |
| 253 | Y | 96.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 67.1 Ų | 67.1 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 134.2 | -174.7 | -52.4 | -85.4 | 0 | 0 | 0 | 109.4 | I200 F202 T208 Y241 Q242 T251 I274 N326 | I200-Y253 HydrophobicContact CD1-CD2 3.63Å; I200-Y253 HydrophobicContact CD1-CE2 4.19Å; I200-Y253 HydrophobicContact CD1-CG 4.4Å; I200-Y253 HydrophobicContact CG1-CD2 3.55Å; I200-Y253 HydrophobicContact CG1-CE2 3.6Å; F202-Y253 HydrophobicContact CD2-CE1 4.29Å; F202-Y253 AromaticContact CE2-CD1 3.75Å; F202-Y253 HydrophobicContact CE2-CD1 3.75Å; F202-Y253 HydrophobicContact CE2-CD2 4.02Å; F202-Y253 AromaticContact CE2-CE1 3.73Å; F202-Y253 HydrophobicContact CE2-CE1 3.73Å; F202-Y253 AromaticContact CE2-CE2 3.99Å; F202-Y253 HydrophobicContact CE2-CE2 3.99Å; F202-Y253 AromaticContact CE2-CG 3.88Å; F202-Y253 HydrophobicContact CE2-CG 3.88Å; F202-Y253 AromaticContact CE2-CZ 3.84Å; F202-Y253 HydrophobicContact CZ-CD1 4.38Å; F202-Y253 HydrophobicContact CZ-CG 4.28Å; T208-Y253 WeakPolarHBondContact CB-OH 3.4Å; T208-Y253 HydrophobicContact CG2-CE1 4.49Å; Y241-Y253 VanDerWaalsContact O-CA 3.26Å; Y241-Y253 WeakPolarHBondContact O-CA 3.2Å; Q242-Y253 HydrophobicContact CB-CD1 4Å; Q242-Y253 HydrophobicContact CB-CE1 3.88Å; Q242-Y253 HydrophobicContact CG-CD1 4.2Å; Q242-Y253 HydrophobicContact CG-CE1 3.71Å; T251-Y253 HydrophobicContact CG2-CE1 4.2Å; T251-Y253 HydrophobicContact CG2-CE2 4.19Å; Y253-I274 HydrophobicContact CD1-CG1 3.74Å; Y253-I274 HydrophobicContact CD1-CG2 4.48Å; Y253-I274 HydrophobicContact CE1-CG1 4.1Å; Y253-I274 HydrophobicContact CE1-CG2 4.15Å; Y253-N326 WeakPolarHBondContact O-CB 3.29Å |
| 254 | A | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 154.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y241 L243 L259 I260 N326 | Y241-A254 PolarHBondContact N-O 3.1Å; Y241-A254 PolarHBondContact O-N 2.66Å; Y241-A254 VanDerWaalsContact O-N 3.1Å; L243-A254 HydrophobicContact CD1-CB 4.02Å; A254-L259 HydrophobicContact CB-CD2 3.91Å; A254-L259 HydrophobicContact CB-CG 4.49Å; A254-I260 HydrophobicContact CB-CD1 4.45Å; A254-I260 HydrophobicContact CB-CG1 3.85Å; A254-N326 WeakPolarHBondContact CA-O 3.13Å |
| 255 | S | 94.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | trans | -129.6 | -2.5 | 176.9 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | K238 P239 T277 N326 F327 | K238-S255 WeakPolarHBondContact CD-O 3.45Å; K238-S255 VanDerWaalsContact CE-O 3.31Å; K238-S255 WeakPolarHBondContact CE-O 3.39Å; K238-S255 PolarHBondContact NZ-O 2.66Å; P239-S255 WeakPolarHBondContact O-CB 3.38Å; S255-T277 VanDerWaalsContact CB-CG2 3.41Å; S255-T277 WeakPolarHBondContact OG-CG2 3.38Å; S255-N326 PolarHBondContact N-O 3.43Å; S255-N326 VanDerWaalsContact N-O 3.13Å; S255-N326 PolarHBondContact OG-O 2.95Å; S255-F327 WeakPolarHBondContact OG-CB 3.42Å | ||
| 256 | D | 89.8 | Confident | 89.9 | Confident | 71 Ų | 71 | 80.5 Ų | 80.5 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | trans | -91 | 119.1 | 175.1 | -178.6 | -82.1 | 0 | 0 | 0 | 109.3 | R258 L259 I260 | D256-R258 VanDerWaalsContact C-N 3.32Å; D256-R258 PolarHBondContact O-N 3.1Å; D256-R258 WeakPolarHBondContact OD1-CA 3.42Å; D256-R258 WeakPolarHBondContact OD1-CB 3.26Å; D256-R258 PolarHBondContact OD1-N 2.87Å; D256-L259 HydrophobicContact CB-CB 3.98Å; D256-L259 PolarHBondContact O-N 2.82Å; D256-L259 PolarHBondContact OD1-N 2.92Å; D256-I260 WeakPolarHBondContact O-CD1 3.3Å; D256-I260 WeakPolarHBondContact O-CG1 3.44Å; D256-I260 PolarHBondContact O-N 2.82Å | ||
| 257 | E | 89.1 | Confident | 89.9 | Confident | 83 Ų | 83 | 77.6 Ų | 77.6 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64 | -35.2 | -175.6 | -69.8 | -63.5 | 155.7 | 0 | 0 | 112.4 | L259 I260 D261 R270 | E257-L259 PolarHBondContact O-N 3.13Å; E257-I260 PolarHBondContact O-N 2.84Å; E257-D261 WeakPolarHBondContact O-CB 3.45Å; E257-D261 VanDerWaalsContact O-CG 3.26Å; E257-D261 PolarHBondContact O-N 2.88Å; E257-R270 IonicContact OE2-NH2 3.88Å; E257-R270 PolarHBondContact OE2-NH2 3.05Å |
| 258 | R | 83.9 | Confident | 90.3 | Very high | 213 Ų | 213 | 70.6 Ų | 70.6 | 80% | 0.804 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 178.5 | -61 | -178.5 | 75.9 | 174.4 | 3.6 | 110.8 | D256 N262 | D256-R258 VanDerWaalsContact C-N 3.32Å; D256-R258 PolarHBondContact O-N 3.1Å; D256-R258 WeakPolarHBondContact OD1-CA 3.42Å; D256-R258 WeakPolarHBondContact OD1-CB 3.26Å; D256-R258 PolarHBondContact OD1-N 2.87Å; R258-N262 WeakPolarHBondContact O-CB 3.42Å; R258-N262 PolarHBondContact O-N 2.91Å; R258-N262 VanDerWaalsContact O-N 3.1Å |
| 259 | L | 85.8 | Confident | 90.8 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 172.9 | 173.6 | 64 | 0 | 0 | 0 | 110.6 | A254 D256 E257 D261 N262 M263 | A254-L259 HydrophobicContact CB-CD2 3.91Å; A254-L259 HydrophobicContact CB-CG 4.49Å; D256-L259 HydrophobicContact CB-CB 3.98Å; D256-L259 PolarHBondContact O-N 2.82Å; D256-L259 PolarHBondContact OD1-N 2.92Å; E257-L259 PolarHBondContact O-N 3.13Å; L259-D261 PolarHBondContact O-N 3.19Å; L259-N262 PolarHBondContact O-N 3.49Å; L259-M263 HydrophobicContact CD1-CG 4.12Å; L259-M263 HydrophobicContact CD1-SD 4.05Å; L259-M263 HydrophobicContact CG-CG 4.46Å; L259-M263 HydrophobicContact CG-SD 4.1Å; L259-M263 VanDerWaalsContact O-CG 3.27Å; L259-M263 WeakPolarHBondContact O-CG 3.41Å; L259-M263 PolarHBondContact O-N 3.49Å |
| 260 | I | 90.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 179.7 | -67.4 | 158.2 | 0 | 0 | 0 | 110 | Y241 L243 A254 D256 E257 N262 M263 L264 R270 | Y241-I260 HydrophobicContact CD2-CD1 3.51Å; Y241-I260 HydrophobicContact CE2-CD1 4.15Å; Y241-I260 HydrophobicContact CG-CD1 4.36Å; L243-I260 HydrophobicContact CD1-CG1 4.17Å; L243-I260 HydrophobicContact CD2-CG2 4.14Å; A254-I260 HydrophobicContact CB-CD1 4.45Å; A254-I260 HydrophobicContact CB-CG1 3.85Å; D256-I260 WeakPolarHBondContact O-CD1 3.3Å; D256-I260 WeakPolarHBondContact O-CG1 3.44Å; D256-I260 PolarHBondContact O-N 2.82Å; E257-I260 PolarHBondContact O-N 2.84Å; I260-N262 VanDerWaalsContact C-N 3.3Å; I260-N262 PolarHBondContact O-N 2.82Å; I260-M263 CarbonylContact O-C 3.54Å; I260-M263 WeakPolarHBondContact O-CA 2.72Å; I260-M263 WeakPolarHBondContact O-CB 3.41Å; I260-M263 PolarHBondContact O-N 3.32Å; I260-L264 HydrophobicContact CG2-CD1 4.01Å; I260-L264 HydrophobicContact CG2-CG 4.11Å; I260-L264 WeakPolarHBondContact O-CG 3.42Å; I260-L264 PolarHBondContact O-N 2.68Å; I260-R270 VanDerWaalsContact CG2-NH2 3.3Å |
| 261 | D | 90.7 | Very high | 91.3 | Very high | 78 Ų | 78 | 64.2 Ų | 64.2 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 179.1 | -75.8 | -14.8 | 0 | 0 | 0 | 112.2 | E257 L259 M263 L264 K265 | E257-D261 WeakPolarHBondContact O-CB 3.45Å; E257-D261 VanDerWaalsContact O-CG 3.26Å; E257-D261 PolarHBondContact O-N 2.88Å; L259-D261 PolarHBondContact O-N 3.19Å; D261-M263 VanDerWaalsContact C-N 3.35Å; D261-L264 PolarHBondContact O-N 3.17Å; D261-K265 VanDerWaalsContact O-CG 3.3Å; D261-K265 WeakPolarHBondContact O-CG 3.47Å; D261-K265 PolarHBondContact O-N 2.58Å |
| 262 | N | 85.9 | Confident | 91.3 | Very high | 91 Ų | 91 | 65.3 Ų | 65.3 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 174.9 | -169.3 | 11.1 | 0 | 0 | 0 | 111.4 | R258 L259 I260 K265 N266 | R258-N262 WeakPolarHBondContact O-CB 3.42Å; R258-N262 PolarHBondContact O-N 2.91Å; R258-N262 VanDerWaalsContact O-N 3.1Å; L259-N262 PolarHBondContact O-N 3.49Å; I260-N262 VanDerWaalsContact C-N 3.3Å; I260-N262 PolarHBondContact O-N 2.82Å; N262-K265 PolarHBondContact O-N 2.66Å; N262-N266 PolarHBondContact O-N 2.98Å; N262-N266 VanDerWaalsContact O-N 3.09Å; N262-N266 PolarHBondContact O-ND2 2.78Å; N262-N266 PolarHBondContact OD1-ND2 3.03Å |
| 263 | M | 88.4 | Confident | 91.4 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 177.2 | -69 | -172.1 | 69.8 | 0 | 0 | 112.2 | L243 T252 L259 I260 D261 K265 N266 G267 Y268 | L243-M263 HydrophobicContact CD1-CB 4.14Å; L243-M263 HydrophobicContact CD1-CE 3.99Å; L243-M263 HydrophobicContact CD1-CG 4.5Å; L243-M263 HydrophobicContact CD1-SD 3.63Å; T252-M263 HydrophobicContact CG2-CE 3.35Å; T252-M263 HydrophobicContact CG2-SD 4.26Å; L259-M263 HydrophobicContact CD1-CG 4.12Å; L259-M263 HydrophobicContact CD1-SD 4.05Å; L259-M263 HydrophobicContact CG-CG 4.46Å; L259-M263 HydrophobicContact CG-SD 4.1Å; L259-M263 VanDerWaalsContact O-CG 3.27Å; L259-M263 WeakPolarHBondContact O-CG 3.41Å; L259-M263 PolarHBondContact O-N 3.49Å; I260-M263 CarbonylContact O-C 3.54Å; I260-M263 WeakPolarHBondContact O-CA 2.72Å; I260-M263 WeakPolarHBondContact O-CB 3.41Å; I260-M263 PolarHBondContact O-N 3.32Å; D261-M263 VanDerWaalsContact C-N 3.35Å; M263-K265 PolarHBondContact O-N 3.26Å; M263-N266 CarbonylContact O-C 3.59Å; M263-N266 WeakPolarHBondContact O-CA 3.42Å; M263-N266 PolarHBondContact O-N 3.48Å; M263-N266 VanDerWaalsContact O-N 3.08Å; M263-G267 PolarHBondContact O-N 3.11Å; M263-Y268 HydrophobicContact CB-CD2 3.96Å; M263-Y268 HydrophobicContact CB-CG 4.14Å; M263-Y268 HydrophobicContact CE-CD1 3.52Å; M263-Y268 HydrophobicContact CE-CD2 3.81Å; M263-Y268 HydrophobicContact CE-CE1 3.33Å; M263-Y268 HydrophobicContact CE-CE2 3.6Å; M263-Y268 HydrophobicContact CE-CG 3.74Å; M263-Y268 WeakPolarHBondContact O-CB 3.29Å; M263-Y268 VanDerWaalsContact O-CD2 3.3Å; M263-Y268 WeakPolarHBondContact O-CD2 3.36Å; M263-Y268 PolarHBondContact O-N 3.07Å |
| 264 | L | 92.6 | Very high | 91.3 | Very high | 57 Ų | 57 | 67 Ų | 67 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.9 | -64.1 | -178.7 | 0 | 0 | 0 | 111.5 | L243 I260 D261 N266 G267 Y268 R270 | L243-L264 HydrophobicContact CD2-CD2 4.44Å; I260-L264 HydrophobicContact CG2-CD1 4.01Å; I260-L264 HydrophobicContact CG2-CG 4.11Å; I260-L264 WeakPolarHBondContact O-CG 3.42Å; I260-L264 PolarHBondContact O-N 2.68Å; D261-L264 PolarHBondContact O-N 3.17Å; L264-N266 PolarHBondContact O-N 2.8Å; L264-G267 PolarHBondContact O-N 2.94Å; L264-G267 VanDerWaalsContact O-N 3.13Å; L264-Y268 WeakPolarHBondContact CD2-O 3.39Å; L264-R270 HydrophobicContact CD2-CB 4.04Å |
| 265 | K | 92.2 | Very high | 91.2 | Very high | 178 Ų | 178 | 67 Ų | 67 | 77% | 0.774 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.9 | -30.2 | 173 | -71.4 | 174.3 | -174 | 179.7 | 0 | 112.8 | D261 N262 M263 G267 | D261-K265 VanDerWaalsContact O-CG 3.3Å; D261-K265 WeakPolarHBondContact O-CG 3.47Å; D261-K265 PolarHBondContact O-N 2.58Å; N262-K265 PolarHBondContact O-N 2.66Å; M263-K265 PolarHBondContact O-N 3.26Å; K265-G267 VanDerWaalsContact C-N 3.31Å; K265-G267 PolarHBondContact O-N 2.95Å |
| 266 | N | 88.1 | Confident | 91.3 | Very high | 99 Ų | 99 | 68.3 Ų | 68.3 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 20.7 | 177.8 | -68.7 | -53.7 | 0 | 0 | 0 | 113.7 | N262 M263 L264 | N262-N266 PolarHBondContact O-N 2.98Å; N262-N266 VanDerWaalsContact O-N 3.09Å; N262-N266 PolarHBondContact O-ND2 2.78Å; N262-N266 PolarHBondContact OD1-ND2 3.03Å; M263-N266 CarbonylContact O-C 3.59Å; M263-N266 WeakPolarHBondContact O-CA 3.42Å; M263-N266 PolarHBondContact O-N 3.48Å; M263-N266 VanDerWaalsContact O-N 3.08Å; L264-N266 PolarHBondContact O-N 2.8Å |
| 267 | G | 90.8 | Very high | 91.6 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 12.8 | 170 | 0 | 0 | 0 | 0 | 0 | 115.6 | M263 L264 K265 | M263-G267 PolarHBondContact O-N 3.11Å; L264-G267 PolarHBondContact O-N 2.94Å; L264-G267 VanDerWaalsContact O-N 3.13Å; K265-G267 VanDerWaalsContact C-N 3.31Å; K265-G267 PolarHBondContact O-N 2.95Å |
| 268 | Y | 96 | Very high | 91.7 | Very high | 12 Ų | 12 | 61 Ų | 61 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 150 | 164.3 | -70.4 | -106.2 | 0 | 0 | 0 | 110.1 | L243 Y244 R248 E250 T252 M263 L264 | L243-Y268 HydrophobicContact CB-CD1 4.14Å; Y244-Y268 CarbonylContact O-C 3.59Å; Y244-Y268 WeakPolarHBondContact O-CA 3.3Å; R248-Y268 PolarHBondContact NH1-OH 3.26Å; E250-Y268 HydrophobicContact CG-CE1 4.15Å; E250-Y268 PolarHBondContact OE1-OH 2.78Å; T252-Y268 HydrophobicContact CG2-CD1 4.5Å; T252-Y268 HydrophobicContact CG2-CE1 4.13Å; M263-Y268 HydrophobicContact CB-CD2 3.96Å; M263-Y268 HydrophobicContact CB-CG 4.14Å; M263-Y268 HydrophobicContact CE-CD1 3.52Å; M263-Y268 HydrophobicContact CE-CD2 3.81Å; M263-Y268 HydrophobicContact CE-CE1 3.33Å; M263-Y268 HydrophobicContact CE-CE2 3.6Å; M263-Y268 HydrophobicContact CE-CG 3.74Å; M263-Y268 WeakPolarHBondContact O-CB 3.29Å; M263-Y268 VanDerWaalsContact O-CD2 3.3Å; M263-Y268 WeakPolarHBondContact O-CD2 3.36Å; M263-Y268 PolarHBondContact O-N 3.07Å; L264-Y268 WeakPolarHBondContact CD2-O 3.39Å |
| 269 | Q | 95.1 | Very high | 91.8 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.8 | 171.3 | -63.2 | 177.2 | 3.3 | 0 | 0 | 109.1 | L243 Y244 K271 | L243-Q269 WeakPolarHBondContact CA-O 3.35Å; Y244-Q269 PolarHBondContact N-O 2.84Å; Y244-Q269 PolarHBondContact O-N 2.73Å; Q269-K271 PolarHBondContact O-N 2.91Å |
| 270 | R | 94.3 | Very high | 91.6 | Very high | 95 Ų | 95 | 58.9 Ų | 58.9 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 121.5 | 167.6 | -167 | 179.7 | -70.7 | -165.4 | -5.2 | 108.1 | Y241 L243 E257 I260 L264 | Y241-R270 HydrophobicContact CD1-CG 3.77Å; Y241-R270 HydrophobicContact CE1-CG 4.36Å; Y241-R270 HydrophobicContact CG-CG 4.33Å; L243-R270 HydrophobicContact CD2-CB 4.26Å; L243-R270 HydrophobicContact CD2-CG 4.31Å; E257-R270 IonicContact OE2-NH2 3.88Å; E257-R270 PolarHBondContact OE2-NH2 3.05Å; I260-R270 VanDerWaalsContact CG2-NH2 3.3Å; L264-R270 HydrophobicContact CD2-CB 4.04Å |
| 271 | K | 91.8 | Very high | 91.2 | Very high | 94 Ų | 94 | 60.7 Ų | 60.7 | 41% | 0.409 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -120.1 | 173 | -59.3 | -60 | -170.2 | -175.9 | 0 | 107.9 | Q242 Q269 | Q242-K271 HydrophobicContact CB-CB 4.2Å; Q242-K271 HydrophobicContact CG-CB 4.22Å; Q242-K271 PolarHBondContact O-N 3Å; Q269-K271 PolarHBondContact O-N 2.91Å |
| 272 | E | 91.9 | Very high | 90.8 | Very high | 84 Ų | 84 | 64.3 Ų | 64.3 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 172.8 | -176.3 | 65.5 | -176.3 | 176.2 | 0 | 0 | 113.7 | N207 Q242 I274 | N207-E272 PolarHBondContact ND2-OE1 2.79Å; Q242-E272 PolarHBondContact N-O 3.14Å; E272-I274 HydrophobicContact CG-CG2 4.04Å |
| 273 | I | 95 | Very high | 90.6 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.5 | 169.8 | -61.7 | 167.9 | 0 | 0 | 0 | 107.6 | N227 P239 I240 Y241 G275 | N227-I273 HydrophobicContact CB-CG2 4.34Å; N227-I273 PolarHBondContact ND2-O 2.86Å; N227-I273 VanDerWaalsContact ND2-O 3.11Å; P239-I273 HydrophobicContact CB-CB 4.45Å; P239-I273 HydrophobicContact CB-CD1 3.88Å; P239-I273 HydrophobicContact CB-CG1 3.95Å; P239-I273 HydrophobicContact CB-CG2 3.65Å; I240-I273 WeakPolarHBondContact O-CA 3.22Å; Y241-I273 HydrophobicContact CD1-CG1 3.72Å; Y241-I273 HydrophobicContact CE1-CD1 3.88Å; Y241-I273 HydrophobicContact CE1-CG1 3.46Å; Y241-I273 VanDerWaalsContact CE1-CG1 3.46Å; I273-G275 WeakPolarHBondContact CG2-O 3.37Å |
| 274 | I | 94.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -13.4 | -175.7 | 58.3 | 69.5 | 0 | 0 | 0 | 113 | F202 L205 I240 Q242 Y253 E272 | F202-I274 HydrophobicContact CD1-CD1 3.7Å; F202-I274 HydrophobicContact CD2-CB 4.41Å; F202-I274 HydrophobicContact CD2-CD1 3.95Å; F202-I274 HydrophobicContact CD2-CG1 4.14Å; F202-I274 HydrophobicContact CE1-CD1 3.27Å; F202-I274 HydrophobicContact CE1-CG1 4.39Å; F202-I274 HydrophobicContact CE2-CD1 3.56Å; F202-I274 HydrophobicContact CE2-CG1 3.83Å; F202-I274 HydrophobicContact CG-CD1 4.04Å; F202-I274 HydrophobicContact CZ-CD1 3.2Å; F202-I274 HydrophobicContact CZ-CG1 3.98Å; L205-I274 HydrophobicContact CD1-CB 3.92Å; L205-I274 HydrophobicContact CD1-CG2 4.32Å; L205-I274 WeakPolarHBondContact CD1-O 3.28Å; I240-I274 HydrophobicContact CB-CD1 3.66Å; I240-I274 HydrophobicContact CB-CG1 4.33Å; I240-I274 HydrophobicContact CD1-CD1 4.16Å; I240-I274 HydrophobicContact CG2-CD1 3.56Å; I240-I274 HydrophobicContact CG2-CG1 4.08Å; I240-I274 PolarHBondContact O-N 3.29Å; Q242-I274 HydrophobicContact CB-CG2 3.94Å; Y253-I274 HydrophobicContact CD1-CG1 3.74Å; Y253-I274 HydrophobicContact CD1-CG2 4.48Å; Y253-I274 HydrophobicContact CE1-CG1 4.1Å; Y253-I274 HydrophobicContact CE1-CG2 4.15Å; E272-I274 HydrophobicContact CG-CG2 4.04Å |
| 275 | G | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | -174.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V225 I240 I273 | V225-G275 CarbonylContact O-C 3.02Å; V225-G275 VanDerWaalsContact O-CA 3.32Å; V225-G275 WeakPolarHBondContact O-CA 3.49Å; I240-G275 PolarHBondContact N-O 2.88Å; I273-G275 WeakPolarHBondContact CG2-O 3.37Å |
| 276 | Q | 95.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.4 | -178.6 | -67.9 | 172.4 | -83.4 | 0 | 0 | 110.9 | V225 K226 S229 L237 K238 | V225-Q276 HydrophobicContact CB-CB 4.08Å; V225-Q276 HydrophobicContact CG1-CB 4.32Å; V225-Q276 PolarHBondContact N-O 3.33Å; V225-Q276 PolarHBondContact O-N 2.94Å; K226-Q276 PolarHBondContact O-OE1 3.24Å; S229-Q276 PolarHBondContact O-OE1 3.4Å; L237-Q276 HydrophobicContact CB-CB 4.41Å; L237-Q276 HydrophobicContact CD2-CB 4.49Å; K238-Q276 CarbonylContact O-C 3.37Å; K238-Q276 VanDerWaalsContact O-CA 3.22Å; K238-Q276 WeakPolarHBondContact O-CA 3.3Å |
| 277 | T | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | -178 | 179.9 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | L237 K238 I240 S255 F327 L328 | L237-T277 CarbonylContact C-O 3.57Å; L237-T277 VanDerWaalsContact CA-O 3.26Å; L237-T277 WeakPolarHBondContact CA-O 3.3Å; K238-T277 HydrophobicContact CD-CG2 4.49Å; K238-T277 HydrophobicContact CG-CG2 3.82Å; K238-T277 PolarHBondContact N-O 3.38Å; K238-T277 PolarHBondContact O-N 3.02Å; I240-T277 HydrophobicContact CD1-CG2 4.3Å; I240-T277 HydrophobicContact CG1-CG2 3.65Å; S255-T277 VanDerWaalsContact CB-CG2 3.41Å; S255-T277 WeakPolarHBondContact OG-CG2 3.38Å; T277-F327 HydrophobicContact CG2-CB 4.12Å; T277-L328 WeakPolarHBondContact CB-O 3.45Å; T277-L328 WeakPolarHBondContact OG1-CA 3.3Å; T277-L328 WeakPolarHBondContact OG1-CB 3.41Å; T277-L328 PolarHBondContact OG1-N 3.1Å; T277-L328 PolarHBondContact OG1-O 3.08Å |
| 278 | V | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -108.1 | 170 | 175.4 | -66.7 | 0 | 0 | 0 | 0 | 111 | L237 K238 Q280 E283 C284 A286 L328 W330 | L237-V278 HydrophobicContact CD2-CG1 4.08Å; K238-V278 VanDerWaalsContact CE-O 3.23Å; K238-V278 WeakPolarHBondContact CE-O 3.31Å; V278-Q280 WeakPolarHBondContact CG2-O 3.19Å; V278-E283 HydrophobicContact CB-CB 3.95Å; V278-E283 HydrophobicContact CB-CG 4.03Å; V278-E283 HydrophobicContact CG1-CB 4.3Å; V278-E283 HydrophobicContact CG1-CG 4.09Å; V278-E283 HydrophobicContact CG2-CB 4.05Å; V278-C284 HydrophobicContact CG1-CB 3.97Å; V278-A286 HydrophobicContact CG2-CB 3.39Å; V278-L328 HydrophobicContact CG2-CB 4.04Å; V278-L328 HydrophobicContact CG2-CD1 3.94Å; V278-W330 HydrophobicContact CG1-CH2 4.14Å; V278-W330 HydrophobicContact CG1-CZ2 4.03Å | ||
| 279 | S | 86.5 | Confident | 90.1 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -89.4 | -27.3 | -179.7 | -64.2 | 0 | 0 | 0 | 0 | 112.9 | E283 | S279-E283 PolarHBondContact N-OE2 2.94Å; S279-E283 VanDerWaalsContact N-OE2 3.08Å |
| 280 | Q | 80.7 | Confident | 90.2 | Very high | 139 Ų | 139 | 50.2 Ų | 50.2 | 65% | 0.65 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -125.1 | 143.5 | -174.8 | -56.7 | -179.5 | 36.7 | 0 | 0 | 111.9 | V278 E283 L328 | V278-Q280 WeakPolarHBondContact CG2-O 3.19Å; Q280-E283 HydrophobicContact CB-CB 4.18Å; Q280-E283 PolarHBondContact N-OE2 2.81Å; Q280-E283 WeakPolarHBondContact O-CB 3.39Å; Q280-E283 PolarHBondContact O-N 2.92Å; Q280-L328 WeakPolarHBondContact O-CD1 3.43Å |
| 281 | L | 80.9 | Confident | 90.1 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 143 | 172.4 | -174.9 | 67.8 | 0 | 0 | 0 | 108.8 | E283 V289 N305 T307 L328 | L281-E283 PolarHBondContact O-N 2.92Å; L281-V289 HydrophobicContact CD1-CG2 3.99Å; L281-N305 VanDerWaalsContact CD2-O 3.29Å; L281-N305 WeakPolarHBondContact CD2-O 3.43Å; L281-T307 HydrophobicContact CB-CG2 4.15Å; L281-L328 HydrophobicContact CB-CD2 4.4Å; L281-L328 HydrophobicContact CD1-CD2 4.28Å |
| 282 | R | 83.1 | Confident | 90 | Very high | 153 Ų | 153 | 41.7 Ų | 41.7 | 58% | 0.577 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -13.5 | -173.4 | -47.2 | -56 | 179.4 | 172.6 | -2.2 | 115.6 | C284 N285 A286 | R282-C284 PolarHBondContact O-N 2.92Å; R282-N285 PolarHBondContact O-N 2.81Å; R282-N285 VanDerWaalsContact O-N 3.1Å; R282-A286 WeakPolarHBondContact CA-O 3.36Å; R282-A286 PolarHBondContact N-O 3.46Å |
| 283 | E | 82.5 | Confident | 89.8 | Confident | 51 Ų | 51 | 37.7 Ų | 37.7 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -59.5 | 128.8 | 168.4 | -169.6 | -179.1 | 177 | 0 | 0 | 109.4 | G236 V278 S279 Q280 L281 N285 A286 | G236-E283 VanDerWaalsContact CA-OE1 3.32Å; G236-E283 WeakPolarHBondContact CA-OE1 3.35Å; V278-E283 HydrophobicContact CB-CB 3.95Å; V278-E283 HydrophobicContact CB-CG 4.03Å; V278-E283 HydrophobicContact CG1-CB 4.3Å; V278-E283 HydrophobicContact CG1-CG 4.09Å; V278-E283 HydrophobicContact CG2-CB 4.05Å; S279-E283 PolarHBondContact N-OE2 2.94Å; S279-E283 VanDerWaalsContact N-OE2 3.08Å; Q280-E283 HydrophobicContact CB-CB 4.18Å; Q280-E283 PolarHBondContact N-OE2 2.81Å; Q280-E283 WeakPolarHBondContact O-CB 3.39Å; Q280-E283 PolarHBondContact O-N 2.92Å; L281-E283 PolarHBondContact O-N 2.92Å; E283-N285 PolarHBondContact O-N 3Å; E283-N285 VanDerWaalsContact O-N 3.08Å; E283-A286 VanDerWaalsContact O-CB 3.28Å; E283-A286 WeakPolarHBondContact O-CB 3.32Å; E283-A286 PolarHBondContact O-N 2.72Å |
| 284 | C | 87.6 | Confident | 89.4 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | 50.6 | 34.8 | -175.3 | -44.5 | 0 | 0 | 0 | 0 | 113.7 | C234 V278 R282 A286 W330 | C234-C284 WeakPolarHBondContact CA-SG 3.49Å; C234-C284 HydrophobicContact CB-CB 3.72Å; C234-C284 WeakPolarHBondContact CB-SG 3.47Å; C234-C284 WeakPolarHBondContact SG-CB 3.44Å; C234-C284 CovalentContact SG-SG 2.01Å; C234-C284 PolarHBondContact SG-SG 2.79Å; V278-C284 HydrophobicContact CG1-CB 3.97Å; R282-C284 PolarHBondContact O-N 2.92Å; C284-A286 PolarHBondContact O-N 3.23Å; C284-W330 HydrophobicContact CB-CZ2 4.29Å; C284-W330 PolarHBondContact O-NE1 2.76Å |
| 285 | N | 87.4 | Confident | 88.5 | Confident | 118 Ų | 118 | 41.5 Ų | 41.5 | 63% | 0.631 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | 62.4 | 18.9 | -176.3 | -56.5 | -50.7 | 0 | 0 | 0 | 115.2 | R282 E283 N287 W330 | R282-N285 PolarHBondContact O-N 2.81Å; R282-N285 VanDerWaalsContact O-N 3.1Å; E283-N285 PolarHBondContact O-N 3Å; E283-N285 VanDerWaalsContact O-N 3.08Å; N285-N287 PolarHBondContact O-N 3.36Å; N285-W330 VanDerWaalsContact O-CD1 3.28Å |
| 286 | A | 88.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -59.7 | 128 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V278 R282 E283 C284 W330 | V278-A286 HydrophobicContact CG2-CB 3.39Å; R282-A286 WeakPolarHBondContact CA-O 3.36Å; R282-A286 PolarHBondContact N-O 3.46Å; E283-A286 VanDerWaalsContact O-CB 3.28Å; E283-A286 WeakPolarHBondContact O-CB 3.32Å; E283-A286 PolarHBondContact O-N 2.72Å; C284-A286 PolarHBondContact O-N 3.23Å; A286-W330 HydrophobicContact CB-CZ2 4.19Å | ||
| 287 | N | 88.9 | Confident | 86.9 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | trans | -135.1 | 3.3 | -169.4 | 68.2 | -10.9 | 0 | 0 | 0 | 113.8 | N285 A329 W330 D331 | N285-N287 PolarHBondContact O-N 3.36Å; N287-A329 PolarHBondContact N-O 3Å; N287-W330 WeakPolarHBondContact OD1-CA 3.48Å; N287-D331 PolarHBondContact ND2-OD2 2.73Å; N287-D331 PolarHBondContact OD1-N 3.2Å | ||
| 288 | K | 92.2 | Very high | 86.4 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.1 | 174.1 | -60.7 | -66.8 | 178.5 | 174 | 0 | 110.1 | V303 T304 A329 D331 | K288-V303 HydrophobicContact CB-CG1 4.37Å; K288-V303 HydrophobicContact CD-CB 4.36Å; K288-T304 CarbonylContact C-O 3.57Å; K288-T304 WeakPolarHBondContact CA-O 3.32Å; K288-A329 HydrophobicContact CB-CB 4.07Å; K288-A329 PolarHBondContact N-O 2.82Å; K288-A329 PolarHBondContact O-N 2.84Å; K288-D331 WeakPolarHBondContact CE-OD1 3.42Å; K288-D331 IonicContact NZ-OD1 2.79Å; K288-D331 PolarHBondContact NZ-OD1 2.89Å |
| 289 | V | 92.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.8 | 170.9 | -170.6 | 0 | 0 | 0 | 0 | 106.6 | L281 I291 V303 T304 T306 T307 V325 L328 | L281-V289 HydrophobicContact CD1-CG2 3.99Å; V289-I291 HydrophobicContact CB-CG2 4.46Å; V289-I291 HydrophobicContact CG1-CG2 3.83Å; V289-V303 VanDerWaalsContact O-CA 3.3Å; V289-V303 WeakPolarHBondContact O-CA 3.06Å; V289-T304 HydrophobicContact CB-CG2 3.8Å; V289-T304 HydrophobicContact CG1-CG2 4.45Å; V289-T304 HydrophobicContact CG2-CG2 4.38Å; V289-T304 PolarHBondContact N-O 3.12Å; V289-T304 PolarHBondContact O-N 3.49Å; V289-T306 WeakPolarHBondContact CG2-O 3.29Å; V289-T307 HydrophobicContact CG1-CG2 4.44Å; V289-T307 HydrophobicContact CG2-CG2 3.9Å; V289-V325 HydrophobicContact CG1-CB 4.34Å; V289-V325 HydrophobicContact CG1-CG1 3.54Å; V289-V325 HydrophobicContact CG1-CG2 3.92Å; V289-L328 HydrophobicContact CB-CD2 4.19Å; V289-L328 HydrophobicContact CG1-CD2 4.08Å; V289-L328 HydrophobicContact CG2-CD2 3.64Å |
| 290 | V | 95.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.5 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | F221 A222 T301 V303 N326 F327 A329 | F221-V290 HydrophobicContact CE2-CG1 4.38Å; F221-V290 HydrophobicContact CZ-CG1 4.08Å; F221-V290 HydrophobicContact CZ-CG2 4.43Å; A222-V290 HydrophobicContact CB-CG2 4.16Å; V290-T301 HydrophobicContact CG1-CG2 3.61Å; V290-V303 HydrophobicContact CG2-CG1 4.01Å; V290-N326 HydrophobicContact CG1-CB 4.38Å; V290-N326 WeakPolarHBondContact O-CB 3.31Å; V290-N326 PolarHBondContact O-N 3.25Å; V290-F327 HydrophobicContact CB-CD2 4.14Å; V290-F327 HydrophobicContact CB-CE1 4.43Å; V290-F327 HydrophobicContact CB-CE2 3.88Å; V290-F327 HydrophobicContact CB-CZ 4.03Å; V290-F327 HydrophobicContact CG1-CE1 4.28Å; V290-F327 HydrophobicContact CG1-CE2 4.33Å; V290-F327 HydrophobicContact CG1-CZ 3.98Å; V290-F327 HydrophobicContact CG2-CD2 4.04Å; V290-F327 HydrophobicContact CG2-CE2 3.54Å; V290-F327 HydrophobicContact CG2-CZ 4.01Å; V290-F327 PolarHBondContact N-O 2.48Å; V290-A329 HydrophobicContact CG2-CB 3.98Å |
| 291 | I | 92.8 | Very high | 86.9 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 150.7 | -175.4 | 63.2 | 171 | 0 | 0 | 0 | 111 | V289 T301 R302 T304 I312 L316 F322 R324 V325 | V289-I291 HydrophobicContact CB-CG2 4.46Å; V289-I291 HydrophobicContact CG1-CG2 3.83Å; I291-T301 WeakPolarHBondContact O-CA 3.44Å; I291-R302 HydrophobicContact CD1-CB 4.36Å; I291-R302 HydrophobicContact CG1-CB 3.99Å; I291-R302 WeakPolarHBondContact CG1-O 3.22Å; I291-R302 PolarHBondContact N-O 3.42Å; I291-R302 PolarHBondContact O-N 3.24Å; I291-T304 HydrophobicContact CD1-CG2 4.3Å; I291-T304 HydrophobicContact CG2-CG2 4.11Å; I291-I312 HydrophobicContact CD1-CG2 3.72Å; I291-I312 HydrophobicContact CG2-CD1 4.5Å; I291-L316 HydrophobicContact CD1-CD1 4.25Å; I291-F322 HydrophobicContact CB-CE2 4.25Å; I291-F322 HydrophobicContact CG2-CE2 4.16Å; I291-R324 WeakPolarHBondContact CA-O 3.33Å; I291-V325 HydrophobicContact CG2-CG2 4.18Å |
| 292 | T | 90.9 | Very high | 87.4 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 134.1 | 165.4 | -55.5 | 0 | 0 | 0 | 0 | 109 | L299 Q300 V323 R324 N326 | T292-L299 HydrophobicContact CG2-CD2 3.71Å; T292-Q300 CarbonylContact C-O 3.27Å; T292-Q300 WeakPolarHBondContact CA-O 3.34Å; T292-V323 HydrophobicContact CG2-CB 4.24Å; T292-V323 WeakPolarHBondContact O-CB 3.46Å; T292-V323 PolarHBondContact O-N 2.97Å; T292-R324 PolarHBondContact N-O 2.79Å; T292-R324 PolarHBondContact O-N 3.2Å; T292-N326 VanDerWaalsContact OG1-CG 3.25Å; T292-N326 PolarHBondContact OG1-ND2 2.88Å; T292-N326 PolarHBondContact OG1-OD1 2.92Å |
| 293 | C | 87.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.4 | 172.4 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | Q300 L316 G321 | C293-Q300 PolarHBondContact N-O 3.16Å; C293-Q300 PolarHBondContact O-N 2.98Å; C293-L316 HydrophobicContact CB-CD1 3.81Å; C293-L316 HydrophobicContact CB-CD2 4.37Å; C293-G321 CarbonylContact C-O 3.48Å; C293-G321 WeakPolarHBondContact CA-O 3.39Å; C293-G321 WeakPolarHBondContact CB-O 3.25Å |
| 294 | Y | 84.8 | Confident | 88 | Confident | 138 Ų | 138 | 41.2 Ų | 41.2 | 54% | 0.541 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.7 | 171.1 | -164.3 | -90 | 0 | 0 | 0 | 108.8 | L299 Y320 G321 | Y294-L299 HydrophobicContact CD2-CD2 4.24Å; Y294-L299 HydrophobicContact CD2-CG 4.34Å; Y294-Y320 CarbonylContact O-C 3.58Å; Y294-Y320 WeakPolarHBondContact O-CA 3.5Å; Y294-G321 PolarHBondContact N-O 2.86Å; Y294-G321 PolarHBondContact O-N 3.01Å |
| 295 | G | 77.3 | Confident | 87.9 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -176.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D297 G298 | G295-D297 PolarHBondContact O-N 3.28Å; G295-G298 PolarHBondContact N-O 3.28Å; G295-G298 PolarHBondContact O-N 3.23Å |
| 296 | V | 76.2 | Confident | 87.5 | Confident | 124 Ų | 124 | 39.8 Ų | 39.8 | 75% | 0.752 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -36.9 | 175.1 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 297 | D | 80.5 | Confident | 86.8 | Confident | 92 Ų | 92 | 43.3 Ų | 43.3 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7.9 | -177.3 | -49.8 | -50.8 | 0 | 0 | 0 | 113.8 | K195 R196 T197 G295 | K195-D297 WeakPolarHBondContact O-CB 3.31Å; R196-D297 HydrophobicContact CB-CB 3.77Å; T197-D297 VanDerWaalsContact CG2-O 3.31Å; T197-D297 WeakPolarHBondContact CG2-O 3.43Å; G295-D297 PolarHBondContact O-N 3.28Å |
| 298 | G | 84.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.5 | -156.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G295 | G295-G298 PolarHBondContact N-O 3.28Å; G295-G298 PolarHBondContact O-N 3.23Å |
| 299 | L | 89 | Confident | 85.3 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 132.1 | -174.2 | -74.8 | 168 | 0 | 0 | 0 | 112.7 | T197 T198 T292 Y294 V323 | T197-L299 VanDerWaalsContact CA-O 3.3Å; T197-L299 WeakPolarHBondContact CA-O 3.23Å; T197-L299 WeakPolarHBondContact CB-O 3.3Å; T198-L299 PolarHBondContact N-O 2.81Å; T198-L299 VanDerWaalsContact N-O 3.12Å; T292-L299 HydrophobicContact CG2-CD2 3.71Å; Y294-L299 HydrophobicContact CD2-CD2 4.24Å; Y294-L299 HydrophobicContact CD2-CG 4.34Å; L299-V323 HydrophobicContact CD2-CG2 4.4Å |
| 300 | Q | 89.2 | Confident | 84.3 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.5 | -179.8 | -59.7 | -67.1 | -45.7 | 0 | 0 | 109.8 | R196 T198 T292 C293 Y320 | R196-Q300 PolarHBondContact O-NE2 3.38Å; T198-Q300 VanDerWaalsContact CG2-OE1 3.29Å; T198-Q300 VanDerWaalsContact OG1-CA 3.29Å; T198-Q300 WeakPolarHBondContact OG1-CA 3.23Å; T292-Q300 CarbonylContact C-O 3.27Å; T292-Q300 WeakPolarHBondContact CA-O 3.34Å; C293-Q300 PolarHBondContact N-O 3.16Å; C293-Q300 PolarHBondContact O-N 2.98Å; Q300-Y320 HydrophobicContact CG-CD1 4.43Å; Q300-Y320 HydrophobicContact CG-CE1 4Å |
| 301 | T | 92.2 | Very high | 83.2 | Confident | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.9 | 170.3 | -58.9 | 0 | 0 | 0 | 0 | 107.9 | T198 I200 F221 V290 I291 | T198-T301 PolarHBondContact OG1-N 3.45Å; I200-T301 HydrophobicContact CG2-CG2 3.68Å; F221-T301 HydrophobicContact CE2-CG2 4.09Å; F221-T301 HydrophobicContact CZ-CG2 3.87Å; V290-T301 HydrophobicContact CG1-CG2 3.61Å; I291-T301 WeakPolarHBondContact O-CA 3.44Å |
| 302 | R | 90.6 | Very high | 82.3 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 166.6 | 179.9 | -70.6 | -170.4 | 165.6 | -156.9 | -3.8 | 110.3 | I291 Y320 | I291-R302 HydrophobicContact CD1-CB 4.36Å; I291-R302 HydrophobicContact CG1-CB 3.99Å; I291-R302 WeakPolarHBondContact CG1-O 3.22Å; I291-R302 PolarHBondContact N-O 3.42Å; I291-R302 PolarHBondContact O-N 3.24Å; R302-Y320 VanDerWaalsContact NH2-CZ 3.34Å; R302-Y320 PolarHBondContact NH2-OH 2.8Å |
| 303 | V | 92.1 | Very high | 81.5 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.4 | 167.8 | -79.8 | 0 | 0 | 0 | 0 | 110.2 | F221 A222 K288 V289 V290 | F221-V303 HydrophobicContact CD2-CB 4.25Å; F221-V303 HydrophobicContact CD2-CG1 3.47Å; F221-V303 VanDerWaalsContact CD2-CG1 3.47Å; F221-V303 HydrophobicContact CD2-CG2 3.96Å; F221-V303 HydrophobicContact CE2-CB 4.49Å; F221-V303 HydrophobicContact CE2-CG1 3.5Å; A222-V303 HydrophobicContact CB-CG1 4.23Å; K288-V303 HydrophobicContact CB-CG1 4.37Å; K288-V303 HydrophobicContact CD-CB 4.36Å; V289-V303 VanDerWaalsContact O-CA 3.3Å; V289-V303 WeakPolarHBondContact O-CA 3.06Å; V290-V303 HydrophobicContact CG2-CG1 4.01Å |
| 304 | T | 87.4 | Confident | 80.9 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 174.4 | 167.3 | -176 | 0 | 0 | 0 | 0 | 109.2 | K288 V289 I291 T306 I312 Q315 | K288-T304 CarbonylContact C-O 3.57Å; K288-T304 WeakPolarHBondContact CA-O 3.32Å; V289-T304 HydrophobicContact CB-CG2 3.8Å; V289-T304 HydrophobicContact CG1-CG2 4.45Å; V289-T304 HydrophobicContact CG2-CG2 4.38Å; V289-T304 PolarHBondContact N-O 3.12Å; V289-T304 PolarHBondContact O-N 3.49Å; I291-T304 HydrophobicContact CD1-CG2 4.3Å; I291-T304 HydrophobicContact CG2-CG2 4.11Å; T304-T306 VanDerWaalsContact CG2-O 3.29Å; T304-T306 WeakPolarHBondContact CG2-O 3.29Å; T304-I312 HydrophobicContact CG2-CD1 4.13Å; T304-I312 HydrophobicContact CG2-CG1 4.05Å; T304-Q315 PolarHBondContact OG1-OE1 3.16Å |
| 305 | N | 84.7 | Confident | 80.5 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -112.6 | 15.5 | -179.8 | 65.7 | -8.5 | 0 | 0 | 0 | 112.5 | L281 | L281-N305 VanDerWaalsContact CD2-O 3.29Å; L281-N305 WeakPolarHBondContact CD2-O 3.43Å |
| 306 | T | 78.9 | Confident | 80.5 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | trans | -139.2 | 150 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | V289 T304 D308 I311 I312 | V289-T306 WeakPolarHBondContact CG2-O 3.29Å; T304-T306 VanDerWaalsContact CG2-O 3.29Å; T304-T306 WeakPolarHBondContact CG2-O 3.29Å; T306-D308 WeakPolarHBondContact OG1-CB 3.39Å; T306-D308 PolarHBondContact OG1-N 3.16Å; T306-I311 HydrophobicContact CG2-CB 4.06Å; T306-I311 HydrophobicContact CG2-CG2 3.85Å; T306-I312 HydrophobicContact CG2-CG1 3.96Å | ||
| 307 | T | 75.1 | Confident | 80 | Confident | 75 Ų | 75 | 68.1 Ų | 68.1 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | trans | -99.8 | -0.9 | 169.9 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | L281 V289 E309 L328 | L281-T307 HydrophobicContact CB-CG2 4.15Å; V289-T307 HydrophobicContact CG1-CG2 4.44Å; V289-T307 HydrophobicContact CG2-CG2 3.9Å; T307-E309 PolarHBondContact O-N 3.14Å; T307-L328 HydrophobicContact CG2-CD2 4.09Å | ||
| 308 | D | 75.8 | Confident | 79.6 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | trans | -73.4 | 107.2 | 176.6 | -176.2 | -35.1 | 0 | 0 | 0 | 110 | T306 N310 I311 I312 | T306-D308 WeakPolarHBondContact OG1-CB 3.39Å; T306-D308 PolarHBondContact OG1-N 3.16Å; D308-N310 VanDerWaalsContact C-N 3.25Å; D308-N310 PolarHBondContact O-N 3.41Å; D308-N310 WeakPolarHBondContact OD1-CA 3.48Å; D308-N310 WeakPolarHBondContact OD1-CB 3.43Å; D308-N310 PolarHBondContact OD1-N 2.98Å; D308-I311 HydrophobicContact CB-CB 4.16Å; D308-I311 HydrophobicContact CB-CD1 3.84Å; D308-I311 HydrophobicContact CB-CG1 3.94Å; D308-I311 PolarHBondContact O-N 2.87Å; D308-I311 VanDerWaalsContact O-N 3.11Å; D308-I311 PolarHBondContact OD1-N 3.39Å; D308-I312 VanDerWaalsContact O-CG1 3.3Å; D308-I312 WeakPolarHBondContact O-CG1 3.4Å; D308-I312 PolarHBondContact O-N 3.28Å | ||
| 309 | E | 72.9 | Confident | 79.2 | Confident | 107 Ų | 107 | 76.8 Ų | 76.8 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58 | -35 | -178.3 | -65.1 | -170.4 | -179.1 | 0 | 0 | 112.9 | T307 I311 I312 W313 F322 | T307-E309 PolarHBondContact O-N 3.14Å; E309-I311 VanDerWaalsContact C-N 3.34Å; E309-I311 PolarHBondContact O-N 3.47Å; E309-I312 PolarHBondContact O-N 3.49Å; E309-W313 WeakPolarHBondContact O-CB 3.21Å; E309-W313 PolarHBondContact O-N 2.93Å; E309-F322 HydrophobicContact CG-CE1 3.87Å; E309-F322 HydrophobicContact CG-CZ 4.23Å |
| 310 | N | 71.5 | Confident | 78.8 | Confident | 114 Ų | 114 | 76.3 Ų | 76.3 | 61% | 0.61 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.4 | -38.3 | 178.8 | -69.7 | -46.5 | 0 | 0 | 0 | 111.4 | D308 K314 | D308-N310 VanDerWaalsContact C-N 3.25Å; D308-N310 PolarHBondContact O-N 3.41Å; D308-N310 WeakPolarHBondContact OD1-CA 3.48Å; D308-N310 WeakPolarHBondContact OD1-CB 3.43Å; D308-N310 PolarHBondContact OD1-N 2.98Å; N310-K314 VanDerWaalsContact O-CG 3.3Å; N310-K314 WeakPolarHBondContact O-CG 3.3Å; N310-K314 PolarHBondContact O-N 3.24Å |
| 311 | I | 72.4 | Confident | 78.4 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 174.3 | -59.2 | 178.1 | 0 | 0 | 0 | 109.8 | T306 D308 E309 W313 K314 Q315 | T306-I311 HydrophobicContact CG2-CB 4.06Å; T306-I311 HydrophobicContact CG2-CG2 3.85Å; D308-I311 HydrophobicContact CB-CB 4.16Å; D308-I311 HydrophobicContact CB-CD1 3.84Å; D308-I311 HydrophobicContact CB-CG1 3.94Å; D308-I311 PolarHBondContact O-N 2.87Å; D308-I311 VanDerWaalsContact O-N 3.11Å; D308-I311 PolarHBondContact OD1-N 3.39Å; E309-I311 VanDerWaalsContact C-N 3.34Å; E309-I311 PolarHBondContact O-N 3.47Å; I311-W313 PolarHBondContact O-N 3.06Å; I311-K314 PolarHBondContact O-N 2.7Å; I311-Q315 HydrophobicContact CG2-CG 4.38Å; I311-Q315 WeakPolarHBondContact O-CG 3.26Å; I311-Q315 PolarHBondContact O-N 2.81Å |
| 312 | I | 74.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 176.3 | -64.1 | 170.6 | 0 | 0 | 0 | 110.5 | I291 T304 T306 D308 E309 K314 Q315 L316 F322 | I291-I312 HydrophobicContact CD1-CG2 3.72Å; I291-I312 HydrophobicContact CG2-CD1 4.5Å; T304-I312 HydrophobicContact CG2-CD1 4.13Å; T304-I312 HydrophobicContact CG2-CG1 4.05Å; T306-I312 HydrophobicContact CG2-CG1 3.96Å; D308-I312 VanDerWaalsContact O-CG1 3.3Å; D308-I312 WeakPolarHBondContact O-CG1 3.4Å; D308-I312 PolarHBondContact O-N 3.28Å; E309-I312 PolarHBondContact O-N 3.49Å; I312-K314 VanDerWaalsContact C-N 3.34Å; I312-K314 PolarHBondContact O-N 2.85Å; I312-Q315 PolarHBondContact O-N 2.77Å; I312-Q315 VanDerWaalsContact O-N 3.14Å; I312-L316 HydrophobicContact CG2-CD1 3.7Å; I312-L316 HydrophobicContact CG2-CG 4.22Å; I312-L316 WeakPolarHBondContact O-CB 3.17Å; I312-L316 VanDerWaalsContact O-CG 3.29Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.07Å; I312-F322 HydrophobicContact CD1-CE2 4.23Å; I312-F322 HydrophobicContact CG2-CB 4.49Å; I312-F322 HydrophobicContact CG2-CD2 3.56Å; I312-F322 HydrophobicContact CG2-CE2 4.05Å; I312-F322 HydrophobicContact CG2-CG 4.22Å |
| 313 | W | 74.2 | Confident | 77.7 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.5 | -48 | 175.8 | -90 | 109.4 | 0 | 0 | 0 | 111.5 | E309 I311 Q315 L316 F317 F322 | E309-W313 WeakPolarHBondContact O-CB 3.21Å; E309-W313 PolarHBondContact O-N 2.93Å; I311-W313 PolarHBondContact O-N 3.06Å; W313-Q315 VanDerWaalsContact C-N 3.32Å; W313-Q315 PolarHBondContact O-N 3.14Å; W313-L316 PolarHBondContact O-N 2.74Å; W313-L316 VanDerWaalsContact O-N 3.16Å; W313-F317 VanDerWaalsContact O-CB 3.29Å; W313-F317 WeakPolarHBondContact O-CB 3.49Å; W313-F317 PolarHBondContact O-N 2.94Å; W313-F322 HydrophobicContact CD2-CB 4Å; W313-F322 HydrophobicContact CG-CB 4.37Å; W313-F322 HydrophobicContact CH2-CB 4.48Å; W313-F322 HydrophobicContact CZ2-CB 3.85Å; W313-F322 AromaticContact NE1-CD1 4Å |
| 314 | K | 74.3 | Confident | 77.4 | Confident | 170 Ų | 170 | 75.5 Ų | 75.5 | 74% | 0.739 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.3 | -34.7 | 177.4 | -72.4 | 172.5 | -176.3 | 178.8 | 0 | 113.2 | N310 I311 I312 L316 | N310-K314 VanDerWaalsContact O-CG 3.3Å; N310-K314 WeakPolarHBondContact O-CG 3.3Å; N310-K314 PolarHBondContact O-N 3.24Å; I311-K314 PolarHBondContact O-N 2.7Å; I312-K314 VanDerWaalsContact C-N 3.34Å; I312-K314 PolarHBondContact O-N 2.85Å; K314-L316 VanDerWaalsContact C-N 3.33Å |
| 315 | Q | 76.4 | Confident | 77.4 | Confident | 103 Ų | 103 | 77 Ų | 77 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.8 | -25.9 | 176.2 | -72.2 | 174.9 | -5.9 | 0 | 0 | 112.9 | T304 I311 I312 W313 | T304-Q315 PolarHBondContact OG1-OE1 3.16Å; I311-Q315 HydrophobicContact CG2-CG 4.38Å; I311-Q315 WeakPolarHBondContact O-CG 3.26Å; I311-Q315 PolarHBondContact O-N 2.81Å; I312-Q315 PolarHBondContact O-N 2.77Å; I312-Q315 VanDerWaalsContact O-N 3.14Å; W313-Q315 VanDerWaalsContact C-N 3.32Å; W313-Q315 PolarHBondContact O-N 3.14Å |
| 316 | L | 76.9 | Confident | 77.8 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -92.7 | -36.2 | -177.4 | -74.8 | -178.4 | 0 | 0 | 0 | 113.3 | I291 C293 I312 W313 K314 R319 Y320 F322 | I291-L316 HydrophobicContact CD1-CD1 4.25Å; C293-L316 HydrophobicContact CB-CD1 3.81Å; C293-L316 HydrophobicContact CB-CD2 4.37Å; I312-L316 HydrophobicContact CG2-CD1 3.7Å; I312-L316 HydrophobicContact CG2-CG 4.22Å; I312-L316 WeakPolarHBondContact O-CB 3.17Å; I312-L316 VanDerWaalsContact O-CG 3.29Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.07Å; W313-L316 PolarHBondContact O-N 2.74Å; W313-L316 VanDerWaalsContact O-N 3.16Å; K314-L316 VanDerWaalsContact C-N 3.33Å; L316-R319 PolarHBondContact O-N 2.91Å; L316-Y320 HydrophobicContact CD2-CG 4.5Å; L316-Y320 WeakPolarHBondContact O-CD2 3.15Å; L316-Y320 PolarHBondContact O-N 3.44Å; L316-F322 HydrophobicContact CD1-CB 4.05Å; L316-F322 HydrophobicContact CD1-CD2 4.46Å |
| 317 | F | 67.5 | Low | 78.6 | Confident | 145 Ų | 145 | 71.7 Ų | 71.7 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 146.1 | -177.1 | -159.6 | -96.5 | 0 | 0 | 0 | 111.3 | W313 | W313-F317 VanDerWaalsContact O-CB 3.29Å; W313-F317 WeakPolarHBondContact O-CB 3.49Å; W313-F317 PolarHBondContact O-N 2.94Å |
| 318 | P | 72.3 | Confident | 79.6 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 66% | 0.656 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.4 | -6.2 | 7.4 | 33.7 | -35 | 0 | 0 | 0 | 116.6 | ||
| 319 | R | 75.3 | Confident | 80.5 | Confident | 182 Ų | 182 | 65.4 Ų | 65.4 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -13.5 | -165.5 | -63.5 | -172.1 | -178.3 | -168.2 | 1.1 | 114.8 | L316 | L316-R319 PolarHBondContact O-N 2.91Š|
| 320 | Y | 79.7 | Confident | 81.6 | Confident | 55 Ų | 55 | 60.6 Ų | 60.6 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.5 | -172.4 | -59.6 | -86.9 | 0 | 0 | 0 | 111.7 | Y294 Q300 R302 L316 | Y294-Y320 CarbonylContact O-C 3.58Å; Y294-Y320 WeakPolarHBondContact O-CA 3.5Å; Q300-Y320 HydrophobicContact CG-CD1 4.43Å; Q300-Y320 HydrophobicContact CG-CE1 4Å; R302-Y320 VanDerWaalsContact NH2-CZ 3.34Å; R302-Y320 PolarHBondContact NH2-OH 2.8Å; L316-Y320 HydrophobicContact CD2-CG 4.5Å; L316-Y320 WeakPolarHBondContact O-CD2 3.15Å; L316-Y320 PolarHBondContact O-N 3.44Å |
| 321 | G | 80.9 | Confident | 82.6 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C293 Y294 | C293-G321 CarbonylContact C-O 3.48Å; C293-G321 WeakPolarHBondContact CA-O 3.39Å; C293-G321 WeakPolarHBondContact CB-O 3.25Å; Y294-G321 PolarHBondContact N-O 2.86Å; Y294-G321 PolarHBondContact O-N 3.01Å |
| 322 | F | 82.8 | Confident | 83.6 | Confident | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.5 | 173.1 | 175.3 | -108.4 | 0 | 0 | 0 | 110.5 | I291 E309 I312 W313 L316 R324 V325 | I291-F322 HydrophobicContact CB-CE2 4.25Å; I291-F322 HydrophobicContact CG2-CE2 4.16Å; E309-F322 HydrophobicContact CG-CE1 3.87Å; E309-F322 HydrophobicContact CG-CZ 4.23Å; I312-F322 HydrophobicContact CD1-CE2 4.23Å; I312-F322 HydrophobicContact CG2-CB 4.49Å; I312-F322 HydrophobicContact CG2-CD2 3.56Å; I312-F322 HydrophobicContact CG2-CE2 4.05Å; I312-F322 HydrophobicContact CG2-CG 4.22Å; W313-F322 HydrophobicContact CD2-CB 4Å; W313-F322 HydrophobicContact CG-CB 4.37Å; W313-F322 HydrophobicContact CH2-CB 4.48Å; W313-F322 HydrophobicContact CZ2-CB 3.85Å; W313-F322 AromaticContact NE1-CD1 4Å; L316-F322 HydrophobicContact CD1-CB 4.05Å; L316-F322 HydrophobicContact CD1-CD2 4.46Å; F322-R324 VanDerWaalsContact CZ-C 3.47Å; F322-V325 HydrophobicContact CE2-CG2 4.43Å; F322-V325 HydrophobicContact CZ-CG2 4.11Å |
| 323 | V | 85.6 | Confident | 84.1 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -55.7 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | T292 L299 | T292-V323 HydrophobicContact CG2-CB 4.24Å; T292-V323 WeakPolarHBondContact O-CB 3.46Å; T292-V323 PolarHBondContact O-N 2.97Å; L299-V323 HydrophobicContact CD2-CG2 4.4Å |
| 324 | R | 85.5 | Confident | 84.2 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 159.4 | -177.5 | 60.3 | 179.9 | -179.7 | -116.1 | 1.2 | 113.2 | T252 I291 T292 F322 N326 | T252-R324 PolarHBondContact OG1-NH2 3.27Å; I291-R324 WeakPolarHBondContact CA-O 3.33Å; T292-R324 PolarHBondContact N-O 2.79Å; T292-R324 PolarHBondContact O-N 3.2Å; F322-R324 VanDerWaalsContact CZ-C 3.47Å; R324-N326 WeakPolarHBondContact CG-OD1 3.44Å; R324-N326 PolarHBondContact NE-OD1 3.05Å |
| 325 | V | 88.1 | Confident | 83 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 26% | 0.261 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.2 | 157.2 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | V289 I291 F322 | V289-V325 HydrophobicContact CG1-CB 4.34Å; V289-V325 HydrophobicContact CG1-CG1 3.54Å; V289-V325 HydrophobicContact CG1-CG2 3.92Å; I291-V325 HydrophobicContact CG2-CG2 4.18Å; F322-V325 HydrophobicContact CE2-CG2 4.43Å; F322-V325 HydrophobicContact CZ-CG2 4.11Å |
| 326 | N | 93.4 | Very high | 80.9 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -56.5 | 176.4 | -63.3 | -17.5 | 0 | 0 | 0 | 110 | Y253 A254 S255 V290 T292 R324 | Y253-N326 WeakPolarHBondContact O-CB 3.29Å; A254-N326 WeakPolarHBondContact CA-O 3.13Å; S255-N326 PolarHBondContact N-O 3.43Å; S255-N326 VanDerWaalsContact N-O 3.13Å; S255-N326 PolarHBondContact OG-O 2.95Å; V290-N326 HydrophobicContact CG1-CB 4.38Å; V290-N326 WeakPolarHBondContact O-CB 3.31Å; V290-N326 PolarHBondContact O-N 3.25Å; T292-N326 VanDerWaalsContact OG1-CG 3.25Å; T292-N326 PolarHBondContact OG1-ND2 2.88Å; T292-N326 PolarHBondContact OG1-OD1 2.92Å; R324-N326 WeakPolarHBondContact CG-OD1 3.44Å; R324-N326 PolarHBondContact NE-OD1 3.05Å |
| 327 | F | 95.9 | Very high | 78.7 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 164.8 | -180 | 51.6 | -93.6 | 0 | 0 | 0 | 111.1 | V187 I200 F202 V224 I240 S255 T277 V290 A329 | V187-F327 HydrophobicContact CG2-CE2 4.48Å; I200-F327 HydrophobicContact CD1-CE1 3.88Å; I200-F327 HydrophobicContact CD1-CZ 3.8Å; F202-F327 HydrophobicContact CE1-CZ 4.27Å; F202-F327 HydrophobicContact CZ-CE1 4.27Å; F202-F327 AromaticContact CZ-CZ 3.91Å; F202-F327 HydrophobicContact CZ-CZ 3.91Å; V224-F327 HydrophobicContact CG1-CD2 4.06Å; V224-F327 HydrophobicContact CG1-CE2 3.72Å; I240-F327 HydrophobicContact CD1-CB 4.43Å; I240-F327 HydrophobicContact CD1-CD2 3.94Å; I240-F327 HydrophobicContact CD1-CE2 4.31Å; I240-F327 HydrophobicContact CD1-CG 4.08Å; I240-F327 HydrophobicContact CG1-CB 4.31Å; I240-F327 HydrophobicContact CG1-CG 4.36Å; I240-F327 HydrophobicContact CG2-CD1 3.85Å; I240-F327 HydrophobicContact CG2-CE1 4.23Å; I240-F327 HydrophobicContact CG2-CG 4.28Å; S255-F327 WeakPolarHBondContact OG-CB 3.42Å; T277-F327 HydrophobicContact CG2-CB 4.12Å; V290-F327 HydrophobicContact CB-CD2 4.14Å; V290-F327 HydrophobicContact CB-CE1 4.43Å; V290-F327 HydrophobicContact CB-CE2 3.88Å; V290-F327 HydrophobicContact CB-CZ 4.03Å; V290-F327 HydrophobicContact CG1-CE1 4.28Å; V290-F327 HydrophobicContact CG1-CE2 4.33Å; V290-F327 HydrophobicContact CG1-CZ 3.98Å; V290-F327 HydrophobicContact CG2-CD2 4.04Å; V290-F327 HydrophobicContact CG2-CE2 3.54Å; V290-F327 HydrophobicContact CG2-CZ 4.01Å; V290-F327 PolarHBondContact N-O 2.48Å; F327-A329 HydrophobicContact CD2-CB 4.47Å; F327-A329 HydrophobicContact CE2-CB 4.44Å |
| 328 | L | 95 | Very high | 76.9 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 154 | 172.5 | -63.3 | 172.7 | 0 | 0 | 0 | 110.7 | T277 V278 Q280 L281 V289 T307 | T277-L328 WeakPolarHBondContact CB-O 3.45Å; T277-L328 WeakPolarHBondContact OG1-CA 3.3Å; T277-L328 WeakPolarHBondContact OG1-CB 3.41Å; T277-L328 PolarHBondContact OG1-N 3.1Å; T277-L328 PolarHBondContact OG1-O 3.08Å; V278-L328 HydrophobicContact CG2-CB 4.04Å; V278-L328 HydrophobicContact CG2-CD1 3.94Å; Q280-L328 WeakPolarHBondContact O-CD1 3.43Å; L281-L328 HydrophobicContact CB-CD2 4.4Å; L281-L328 HydrophobicContact CD1-CD2 4.28Å; V289-L328 HydrophobicContact CB-CD2 4.19Å; V289-L328 HydrophobicContact CG1-CD2 4.08Å; V289-L328 HydrophobicContact CG2-CD2 3.64Å; T307-L328 HydrophobicContact CG2-CD2 4.09Å |
| 329 | A | 96.1 | Very high | 74.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 176.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A222 S223 V224 N287 K288 V290 F327 | A222-A329 HydrophobicContact CB-CB 3.88Å; S223-A329 WeakPolarHBondContact O-CB 3.46Å; V224-A329 HydrophobicContact CG1-CB 4.35Å; N287-A329 PolarHBondContact N-O 3Å; K288-A329 HydrophobicContact CB-CB 4.07Å; K288-A329 PolarHBondContact N-O 2.82Å; K288-A329 PolarHBondContact O-N 2.84Å; V290-A329 HydrophobicContact CG2-CB 3.98Å; F327-A329 HydrophobicContact CD2-CB 4.47Å; F327-A329 HydrophobicContact CE2-CB 4.44Å |
| 330 | W | 94.4 | Very high | 72.5 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -112.6 | 170.3 | 173.3 | -61.1 | -98.4 | 0 | 0 | 0 | 110.7 | A222 S223 V225 L237 V278 C284 N285 A286 N287 | A222-W330 CarbonylContact C-O 3.58Å; A222-W330 WeakPolarHBondContact CA-O 3.31Å; S223-W330 PolarHBondContact N-O 2.85Å; S223-W330 PolarHBondContact O-N 2.8Å; S223-W330 WeakPolarHBondContact OG-CB 3.3Å; V225-W330 HydrophobicContact CG2-CH2 3.73Å; V225-W330 HydrophobicContact CG2-CZ2 4.38Å; V225-W330 HydrophobicContact CG2-CZ3 3.84Å; L237-W330 HydrophobicContact CD2-CH2 4.21Å; V278-W330 HydrophobicContact CG1-CH2 4.14Å; V278-W330 HydrophobicContact CG1-CZ2 4.03Å; C284-W330 HydrophobicContact CB-CZ2 4.29Å; C284-W330 PolarHBondContact O-NE1 2.76Å; N285-W330 VanDerWaalsContact O-CD1 3.28Å; A286-W330 HydrophobicContact CB-CZ2 4.19Å; N287-W330 WeakPolarHBondContact OD1-CA 3.48Å |
| 331 | D | 93.5 | Very high | 70 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 148 | 166.5 | -77.2 | -48.5 | 0 | 0 | 0 | 111.6 | S223 N287 K288 | S223-D331 WeakPolarHBondContact CB-O 3.42Å; S223-D331 PolarHBondContact OG-O 2.8Å; N287-D331 PolarHBondContact ND2-OD2 2.73Å; N287-D331 PolarHBondContact OD1-N 3.2Å; K288-D331 WeakPolarHBondContact CE-OD1 3.42Å; K288-D331 IonicContact NZ-OD1 2.79Å; K288-D331 PolarHBondContact NZ-OD1 2.89Å |
| 332 | P | 92.6 | Very high | 67.4 | Low | 17 Ų | 17 | 62.4 Ų | 62.4 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -62 | 141.4 | 176.9 | 26.2 | -33.7 | 0 | 0 | 0 | 112.3 | N186 P220 N335 | N186-P332 VanDerWaalsContact OD1-CA 3.28Å; N186-P332 WeakPolarHBondContact OD1-CA 3.34Å; P220-P332 HydrophobicContact CB-CB 3.92Å; P220-P332 HydrophobicContact CG-CB 4.46Å; P332-N335 HydrophobicContact CG-CB 4.34Å |
| 333 | E | 86.6 | Confident | 64.7 | Low | 34 Ų | 34 | 70.7 Ų | 70.7 | 16% | 0.159 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 134.1 | 171 | -71.2 | -75.1 | 159.7 | 0 | 0 | 110.6 | R184 N186 | R184-E333 HydrophobicContact CB-CG 4.03Å; R184-E333 IonicContact CZ-OE1 2.91Å; R184-E333 IonicContact NE-OE1 3.26Å; R184-E333 PolarHBondContact NE-OE1 2.82Å; R184-E333 IonicContact NH2-OE1 3.44Å; R184-E333 PolarHBondContact NH2-OE1 2.88Å; N186-E333 PolarHBondContact ND2-O 3.37Å; N186-E333 PolarHBondContact OD1-N 3.48Å |
| 334 | G | 75.5 | Confident | 62 | Low | 72 Ų | 72 | 71.8 Ų | 71.8 | 74% | 0.742 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | -9.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S336 | G334-S336 PolarHBondContact O-N 3.12Å; G334-S336 VanDerWaalsContact O-N 3.16Å |
| 335 | N | 49.1 | Very low | 59.1 | Low | 106 Ų | 106 | 76.1 Ų | 76.1 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | trans | -87.5 | 73 | 172.9 | -82.1 | -1 | 0 | 0 | 0 | 111.4 | P332 S337 | P332-N335 HydrophobicContact CG-CB 4.34Å; N335-S337 PolarHBondContact O-N 2.79Å; N335-S337 VanDerWaalsContact O-N 3.12Å | ||
| 336 | S | 32 | Very low | 56.1 | Low | 107 Ų | 107 | 79.3 Ų | 79.3 | 75% | 0.748 | 50% | 0.501 | S | S | * | . | trans | -68.1 | 99.5 | 153.3 | 49.3 | 0 | 0 | 0 | 0 | 108.2 | G334 | G334-S336 PolarHBondContact O-N 3.12Å; G334-S336 VanDerWaalsContact O-N 3.16Å | ||
| 337 | S | 31.6 | Very low | 53 | Low | 115 Ų | 115 | 82.5 Ų | 82.5 | 80% | 0.804 | 52% | 0.524 | S | S | * | . | trans | 44.1 | 85.3 | 162.6 | 59.4 | 0 | 0 | 0 | 0 | 116.9 | N335 | N335-S337 PolarHBondContact O-N 2.79Å; N335-S337 VanDerWaalsContact O-N 3.12Å | ||
| 338 | A | 30.1 | Very low | 49.6 | Very low | 89 Ų | 89 | 91.5 Ų | 91.5 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | trans | -121.1 | 84.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 339 | T | 26.7 | Very low | 46.3 | Very low | 126 Ų | 126 | 98.9 Ų | 98.9 | 77% | 0.773 | 61% | 0.605 | S | S | * | * | trans | 22.4 | 122 | 142.4 | -3.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 340 | S | 28.2 | Very low | 42.9 | Very low | 107 Ų | 107 | 107.7 Ų | 107.7 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | trans | 60.4 | 123.7 | 146.2 | 57.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 341 | D | 25.8 | Very low | 39.6 | Very low | 146 Ų | 146 | 113.2 Ų | 113.2 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | trans | -28.8 | 138.9 | 160.3 | -73.4 | -58 | 0 | 0 | 0 | 112.3 | K343 | D341-K343 VanDerWaalsContact C-N 3.34Å; D341-K343 PolarHBondContact O-N 2.77Å | ||
| 342 | P | 28 | Very low | 36.4 | Very low | 121 Ų | 121 | 114 Ų | 114 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -56.7 | 107.2 | 170.7 | 24.8 | -30 | 0 | 0 | 0 | 106.4 | A344 | P342-A344 PolarHBondContact O-N 3.03Š| ||
| 343 | K | 25.3 | Very low | 33.2 | Very low | 198 Ų | 198 | 121.8 Ų | 121.8 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -40.5 | 115.3 | 165 | -97.1 | 177.7 | 174.2 | 174.9 | 0 | 105.1 | D341 D345 | D341-K343 VanDerWaalsContact C-N 3.34Å; D341-K343 PolarHBondContact O-N 2.77Å; K343-D345 PolarHBondContact O-N 3.11Å | ||
| 344 | A | 28.5 | Very low | 30.4 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -41.3 | 114.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | P342 S346 | P342-A344 PolarHBondContact O-N 3.03Å; A344-S346 PolarHBondContact O-N 3.17Å | ||
| 345 | D | 25.2 | Very low | 28 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -62.3 | 88.6 | 176.4 | -172.8 | -3.5 | 0 | 0 | 0 | 105.4 | K343 S347 | K343-D345 PolarHBondContact O-N 3.11Å; D345-S347 PolarHBondContact O-N 3.19Å; D345-S347 WeakPolarHBondContact OD1-CB 3.48Å; D345-S347 PolarHBondContact OD1-N 2.98Å; D345-S347 PolarHBondContact OD1-OG 3.13Å; D345-S347 VanDerWaalsContact OD1-OG 3.05Å | ||
| 346 | S | 25.8 | Very low | 26.9 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -80.1 | 48.4 | 174.3 | -160.2 | 0 | 0 | 0 | 0 | 107 | A344 Q348 | A344-S346 PolarHBondContact O-N 3.17Å; S346-Q348 PolarHBondContact O-N 3.01Å | ||
| 347 | S | 27.1 | Very low | 26.7 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 49% | 0.49 | 78% | 0.777 | S | S | . | * | trans | -65.7 | 114.1 | 161.3 | 39.8 | 0 | 0 | 0 | 0 | 106 | D345 L349 | D345-S347 PolarHBondContact O-N 3.19Å; D345-S347 WeakPolarHBondContact OD1-CB 3.48Å; D345-S347 PolarHBondContact OD1-N 2.98Å; D345-S347 PolarHBondContact OD1-OG 3.13Å; D345-S347 VanDerWaalsContact OD1-OG 3.05Å; S347-L349 VanDerWaalsContact C-N 3.3Å; S347-L349 PolarHBondContact O-N 3.17Å | ||
| 348 | Q | 25.4 | Very low | 26.5 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -59.2 | 86.3 | -174 | -61.8 | -171.6 | 7 | 0 | 0 | 111.1 | S346 K350 | S346-Q348 PolarHBondContact O-N 3.01Å; Q348-K350 PolarHBondContact O-N 2.76Å | ||
| 349 | L | 26 | Very low | 26.4 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -82.2 | 96.9 | 153.7 | -82.2 | 150.1 | 0 | 0 | 0 | 105.6 | S347 | S347-L349 VanDerWaalsContact C-N 3.3Å; S347-L349 PolarHBondContact O-N 3.17Å | ||
| 350 | K | 23.4 | Very low | 26.6 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -28.8 | 138.6 | 161.4 | -117.8 | 174.1 | 176.3 | -179.9 | 0 | 109.5 | Q348 A352 | Q348-K350 PolarHBondContact O-N 2.76Å; K350-A352 PolarHBondContact O-N 2.91Å | ||
| 351 | P | 25.8 | Very low | 26.6 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -50.8 | 108.1 | 178.3 | -18.7 | 28.8 | 0 | 0 | 0 | 107.7 | E353 | P351-E353 PolarHBondContact O-N 2.86Š| ||
| 352 | A | 26.8 | Very low | 26.9 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -62.8 | 103.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 103 | K350 L354 | K350-A352 PolarHBondContact O-N 2.91Å; A352-L354 VanDerWaalsContact C-N 3.35Å; A352-L354 PolarHBondContact O-N 2.8Å | ||
| 353 | E | 25.4 | Very low | 27.1 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -38.6 | 105.6 | 168.7 | -155.8 | 157.2 | 161.3 | 0 | 0 | 106.3 | P351 S355 | P351-E353 PolarHBondContact O-N 2.86Å; E353-S355 PolarHBondContact O-N 2.83Å | ||
| 354 | L | 26.8 | Very low | 27.4 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -68.4 | 84.4 | -178.2 | -132.8 | 90.9 | 0 | 0 | 0 | 104.6 | A352 P356 | A352-L354 VanDerWaalsContact C-N 3.35Å; A352-L354 PolarHBondContact O-N 2.8Å; L354-P356 WeakPolarHBondContact O-CD 3.48Å; L354-P356 VanDerWaalsContact O-N 3.13Å | ||
| 355 | S | 24.5 | Very low | 27.7 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -50.9 | 121.2 | 160.2 | -83 | 0 | 0 | 0 | 0 | 105.4 | E353 Q357 | E353-S355 PolarHBondContact O-N 2.83Å; S355-Q357 PolarHBondContact O-N 3.22Å | ||
| 356 | P | 26.7 | Very low | 28 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -60.5 | 107.8 | -174.6 | 23.2 | -31.1 | 0 | 0 | 0 | 107.3 | L354 | L354-P356 WeakPolarHBondContact O-CD 3.48Å; L354-P356 VanDerWaalsContact O-N 3.13Å | ||
| 357 | Q | 27.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | trans | -59.7 | 134.8 | 161 | -94.5 | -164.2 | -54.9 | 0 | 0 | 106.4 | S355 S359 | S355-Q357 PolarHBondContact O-N 3.22Å; Q357-S359 PolarHBondContact O-N 3.07Å; Q357-S359 VanDerWaalsContact O-N 3.15Å | ||
| 358 | P | 28 | Very low | 29.2 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -58.2 | 128.3 | -173.2 | 24.3 | -31.5 | 0 | 0 | 0 | 107.4 | S360 | P358-S360 PolarHBondContact O-N 2.86Š| ||
| 359 | S | 28.2 | Very low | 30.2 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | trans | -31.2 | 104.4 | 163.5 | 49.3 | 0 | 0 | 0 | 0 | 108.6 | Q357 Q361 | Q357-S359 PolarHBondContact O-N 3.07Å; Q357-S359 VanDerWaalsContact O-N 3.15Å; S359-Q361 VanDerWaalsContact C-N 3.27Å; S359-Q361 PolarHBondContact O-N 2.83Å | ||
| 360 | S | 29.2 | Very low | 31.2 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -56.1 | 108.4 | 160.9 | 55.8 | 0 | 0 | 0 | 0 | 103.4 | P358 Q362 | P358-S360 PolarHBondContact O-N 2.86Å; S360-Q362 VanDerWaalsContact C-N 3.31Å; S360-Q362 PolarHBondContact O-N 3.01Å | ||
| 361 | Q | 29.8 | Very low | 33 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | trans | -47.2 | 106.7 | 171.4 | -73.7 | 174.1 | -15.8 | 0 | 0 | 105.3 | S359 S363 | S359-Q361 VanDerWaalsContact C-N 3.27Å; S359-Q361 PolarHBondContact O-N 2.83Å; Q361-S363 PolarHBondContact O-N 3.39Å | ||
| 362 | Q | 31.2 | Very low | 34.5 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -66.1 | 91.4 | 157.5 | -80.4 | -178.1 | -14.9 | 0 | 0 | 102.9 | S360 E364 | S360-Q362 VanDerWaalsContact C-N 3.31Å; S360-Q362 PolarHBondContact O-N 3.01Å; Q362-E364 PolarHBondContact O-N 3.18Å | ||
| 363 | S | 31.7 | Very low | 35.5 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | trans | -61.2 | 97.4 | 163.7 | -45.7 | 0 | 0 | 0 | 0 | 104.5 | Q361 V365 | Q361-S363 PolarHBondContact O-N 3.39Å; S363-V365 PolarHBondContact O-N 3.42Å | ||
| 364 | E | 33.1 | Very low | 36.2 | Very low | 137 Ų | 137 | 122 Ų | 122 | 64% | 0.64 | 68% | 0.677 | S | S | * | * | trans | -67.4 | 90.5 | 172.7 | -159.1 | -177.9 | -132.3 | 0 | 0 | 105.6 | Q362 R366 | Q362-E364 PolarHBondContact O-N 3.18Å; E364-R366 PolarHBondContact O-N 3.16Å; E364-R366 IonicContact OE2-CZ 3.24Å; E364-R366 VanDerWaalsContact OE2-CZ 3.26Å; E364-R366 IonicContact OE2-NE 2.66Å; E364-R366 PolarHBondContact OE2-NE 2.9Å; E364-R366 IonicContact OE2-NH2 3.05Å; E364-R366 PolarHBondContact OE2-NH2 2.69Å | ||
| 365 | V | 34.3 | Very low | 37.1 | Very low | 91 Ų | 91 | 118.1 Ų | 118.1 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | trans | -65.6 | 107.1 | 177.2 | 176.6 | 0 | 0 | 0 | 0 | 107 | S363 L377 E378 | S363-V365 PolarHBondContact O-N 3.42Å; V365-L377 HydrophobicContact CG1-CD2 3.39Å; V365-E378 WeakPolarHBondContact CA-O 3.36Å | ||
| 366 | R | 31.7 | Very low | 37.8 | Very low | 158 Ų | 158 | 116.6 Ų | 116.6 | 60% | 0.596 | 65% | 0.647 | S | S | * | * | trans | -98.6 | 113.8 | 177.4 | -76.2 | -173.4 | -177.8 | -166.8 | -0.6 | 108.6 | E364 K368 E378 | E364-R366 PolarHBondContact O-N 3.16Å; E364-R366 IonicContact OE2-CZ 3.24Å; E364-R366 VanDerWaalsContact OE2-CZ 3.26Å; E364-R366 IonicContact OE2-NE 2.66Å; E364-R366 PolarHBondContact OE2-NE 2.9Å; E364-R366 IonicContact OE2-NH2 3.05Å; E364-R366 PolarHBondContact OE2-NH2 2.69Å; R366-K368 PolarHBondContact O-N 2.84Å; R366-E378 PolarHBondContact N-O 2.95Å; R366-E378 PolarHBondContact O-N 2.73Å; R366-E378 VanDerWaalsContact O-N 3.14Å | ||
| 367 | L | 37 | Very low | 38.9 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74 | 121 | 172.7 | -64.7 | 165 | 0 | 0 | 0 | 108.4 | V375 L377 | L367-V375 HydrophobicContact CB-CG1 4.17Å; L367-V375 HydrophobicContact CD2-CG1 3.71Å; L367-V375 HydrophobicContact CG-CG1 4.49Å; L367-L377 HydrophobicContact CD2-CD2 3.64Å; L367-L377 HydrophobicContact CD2-CG 4.47Å |
| 368 | K | 40.9 | Very low | 39.6 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 53% | 0.526 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 123.5 | 173.7 | -162 | 174.6 | -176.9 | 176.7 | 0 | 109.4 | R366 T376 | R366-K368 PolarHBondContact O-N 2.84Å; K368-T376 PolarHBondContact N-O 3.15Å; K368-T376 VanDerWaalsContact N-O 3.08Å; K368-T376 PolarHBondContact O-N 2.86Å; K368-T376 VanDerWaalsContact O-N 3.1Å |
| 369 | L | 45.8 | Very low | 40.2 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 71% | 0.707 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75 | 123.7 | 167.8 | -83.2 | 115.7 | 0 | 0 | 0 | 108.9 | V375 | L369-V375 HydrophobicContact CG-CG2 4.4Å |
| 370 | T | 48.1 | Very low | 40.8 | Very low | 47 Ų | 47 | 117.7 Ų | 117.7 | 29% | 0.288 | 63% | 0.631 | S | S | . | * | trans | -87 | 159.5 | 171.1 | 53 | 0 | 0 | 0 | 0 | 110.4 | D372 G373 S374 | T370-D372 WeakPolarHBondContact CB-OD1 3.5Å; T370-D372 PolarHBondContact O-N 3.05Å; T370-D372 PolarHBondContact OG1-OD1 2.99Å; T370-G373 PolarHBondContact O-N 3.28Å; T370-S374 PolarHBondContact N-O 3.2Å; T370-S374 PolarHBondContact OG1-N 2.85Å; T370-S374 PolarHBondContact OG1-O 2.88Å; T370-S374 PolarHBondContact OG1-OG 2.86Å | ||
| 371 | N | 60.2 | Low | 41.4 | Very low | 182 Ų | 182 | 118.5 Ų | 118.5 | 97% | 0.973 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -13.8 | -174.9 | -73.7 | -15.1 | 0 | 0 | 0 | 114.4 | G373 | N371-G373 VanDerWaalsContact C-N 3.34Š|
| 372 | D | 57.6 | Low | 42.1 | Very low | 130 Ų | 130 | 115.5 Ų | 115.5 | 70% | 0.695 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 5.8 | 173.1 | 66.7 | -8.9 | 0 | 0 | 0 | 113.3 | T370 S374 | T370-D372 WeakPolarHBondContact CB-OD1 3.5Å; T370-D372 PolarHBondContact O-N 3.05Å; T370-D372 PolarHBondContact OG1-OD1 2.99Å; D372-S374 VanDerWaalsContact C-N 3.3Å; D372-S374 PolarHBondContact O-N 3.29Å; D372-S374 PolarHBondContact OD1-N 2.77Å; D372-S374 PolarHBondContact OD1-OG 2.77Å |
| 373 | G | 47.5 | Very low | 42.8 | Very low | 56 Ų | 56 | 111.1 Ų | 111.1 | 58% | 0.577 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 81.1 | 4.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T370 N371 | T370-G373 PolarHBondContact O-N 3.28Å; N371-G373 VanDerWaalsContact C-N 3.34Å |
| 374 | S | 40.7 | Very low | 43.5 | Very low | 51 Ų | 51 | 112.5 Ų | 112.5 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | trans | -80.3 | 152.9 | 171.8 | 68.2 | 0 | 0 | 0 | 0 | 111.7 | T370 D372 | T370-S374 PolarHBondContact N-O 3.2Å; T370-S374 PolarHBondContact OG1-N 2.85Å; T370-S374 PolarHBondContact OG1-O 2.88Å; T370-S374 PolarHBondContact OG1-OG 2.86Å; D372-S374 VanDerWaalsContact C-N 3.3Å; D372-S374 PolarHBondContact O-N 3.29Å; D372-S374 PolarHBondContact OD1-N 2.77Å; D372-S374 PolarHBondContact OD1-OG 2.77Å | ||
| 375 | V | 44.8 | Very low | 44.3 | Very low | 86 Ų | 86 | 110.8 Ų | 110.8 | 52% | 0.521 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.2 | -179.6 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | L367 L369 | L367-V375 HydrophobicContact CB-CG1 4.17Å; L367-V375 HydrophobicContact CD2-CG1 3.71Å; L367-V375 HydrophobicContact CG-CG1 4.49Å; L369-V375 HydrophobicContact CG-CG2 4.4Å |
| 376 | T | 39.8 | Very low | 45.1 | Very low | 68 Ų | 68 | 112.3 Ų | 112.3 | 42% | 0.417 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.7 | 173.9 | 49.4 | 0 | 0 | 0 | 0 | 111 | K368 | K368-T376 PolarHBondContact N-O 3.15Å; K368-T376 VanDerWaalsContact N-O 3.08Å; K368-T376 PolarHBondContact O-N 2.86Å; K368-T376 VanDerWaalsContact O-N 3.1Å |
| 377 | L | 49.9 | Very low | 46.2 | Very low | 133 Ų | 133 | 108.5 Ų | 108.5 | 70% | 0.696 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.1 | 178.3 | -67.4 | 157.9 | 0 | 0 | 0 | 108.3 | V365 L367 | V365-L377 HydrophobicContact CG1-CD2 3.39Å; L367-L377 HydrophobicContact CD2-CD2 3.64Å; L367-L377 HydrophobicContact CD2-CG 4.47Å |
| 378 | E | 41.8 | Very low | 47 | Very low | 174 Ų | 174 | 107.5 Ų | 107.5 | 81% | 0.813 | 60% | 0.597 | S | S | * | * | trans | -96.5 | 0 | 159.2 | -83.7 | -177.6 | 171.2 | 0 | 0 | 110.8 | V365 R366 | V365-E378 WeakPolarHBondContact CA-O 3.36Å; R366-E378 PolarHBondContact N-O 2.95Å; R366-E378 PolarHBondContact O-N 2.73Å; R366-E378 VanDerWaalsContact O-N 3.14Å |
Retrieved 378 of 378 residues in 728.3 ms
(Link to these results)