| 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 | 46.3 | Very low | 71.3 | Confident | 215 Ų | 215 | 95.3 Ų | 95.3 | 100% | 1.059 | 51% | 0.511 | S | S | * | . | 0 | -69.3 | 0 | -73.2 | 159.4 | 178.2 | 0 | 0 | 111 | W3 C4 | M1-W3 PolarHBondContact O-N 3.43Å; M1-C4 PolarHBondContact O-N 3.01Å | |||
| 2 | A | 52.3 | Low | 73 | Confident | 67 Ų | 67 | 96.2 Ų | 96.2 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.2 | -12.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | D5 | A2-D5 VanDerWaalsContact CA-OD2 3.31Å; A2-D5 WeakPolarHBondContact CA-OD2 3.43Å |
| 3 | W | 50.3 | Low | 74.4 | Confident | 214 Ų | 214 | 88.9 Ų | 88.9 | 81% | 0.811 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -79 | -29.3 | 169.3 | -96.1 | 50.8 | 0 | 0 | 0 | 113.3 | M1 G7 | M1-W3 PolarHBondContact O-N 3.43Å; W3-G7 PolarHBondContact O-N 3.05Å |
| 4 | C | 53 | Low | 75.7 | Confident | 95 Ų | 95 | 84.8 Ų | 84.8 | 64% | 0.642 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.7 | -47.9 | 173 | -79.6 | 0 | 0 | 0 | 0 | 110.8 | M1 R6 G7 V8 | M1-C4 PolarHBondContact O-N 3.01Å; C4-R6 VanDerWaalsContact C-N 3.27Å; C4-R6 PolarHBondContact O-N 3.21Å; C4-G7 WeakPolarHBondContact O-CA 3.12Å; C4-G7 PolarHBondContact O-N 3.33Å; C4-V8 WeakPolarHBondContact O-CG2 3.48Å; C4-V8 PolarHBondContact O-N 3.25Å |
| 5 | D | 77.4 | Confident | 76.9 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.9 | -41.4 | -177 | -57.4 | -73.6 | 0 | 0 | 0 | 112.3 | A2 V8 Q9 | A2-D5 VanDerWaalsContact CA-OD2 3.31Å; A2-D5 WeakPolarHBondContact CA-OD2 3.43Å; D5-V8 PolarHBondContact O-N 3.33Å; D5-Q9 WeakPolarHBondContact O-CB 3.48Å; D5-Q9 VanDerWaalsContact O-CG 3.27Å; D5-Q9 WeakPolarHBondContact O-CG 3.49Å; D5-Q9 PolarHBondContact O-N 3.37Å |
| 6 | R | 75.4 | Confident | 78 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 25% | 0.245 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -71.7 | -33.1 | 177 | -70.3 | -172.1 | -178.8 | 146.3 | -0.5 | 114.1 | C4 V8 T10 E209 E213 | C4-R6 VanDerWaalsContact C-N 3.27Å; C4-R6 PolarHBondContact O-N 3.21Å; R6-V8 VanDerWaalsContact C-N 3.32Å; R6-T10 WeakPolarHBondContact O-CB 3.44Å; R6-T10 PolarHBondContact O-N 3.15Å; R6-T10 PolarHBondContact O-OG1 3.17Å; R6-E209 IonicContact CZ-OE2 3.4Å; R6-E209 VanDerWaalsContact CZ-OE2 3.23Å; R6-E209 IonicContact NE-OE2 2.96Å; R6-E209 PolarHBondContact NE-OE2 2.8Å; R6-E209 IonicContact NH2-OE2 3.26Å; R6-E209 PolarHBondContact NH2-OE2 2.8Å; R6-E213 IonicContact CZ-OE1 3.18Å; R6-E213 VanDerWaalsContact CZ-OE1 3.26Å; R6-E213 IonicContact NH1-OE1 3.86Å; R6-E213 PolarHBondContact NH1-OE1 3.47Å; R6-E213 IonicContact NH1-OE2 2.85Å; R6-E213 PolarHBondContact NH1-OE2 2.88Å; R6-E213 IonicContact NH2-OE1 4Å; R6-E213 PolarHBondContact NH2-OE1 3.49Å |
| 7 | G | 80.4 | Confident | 78.9 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | W3 C4 T10 L11 | W3-G7 PolarHBondContact O-N 3.05Å; C4-G7 WeakPolarHBondContact O-CA 3.12Å; C4-G7 PolarHBondContact O-N 3.33Å; G7-T10 PolarHBondContact O-N 3.47Å; G7-L11 WeakPolarHBondContact O-CB 3.25Å; G7-L11 WeakPolarHBondContact O-CD1 3.37Å; G7-L11 WeakPolarHBondContact O-CG 3.49Å; G7-L11 PolarHBondContact O-N 2.74Å |
| 8 | V | 87.4 | Confident | 79.8 | Confident | 89 Ų | 89 | 78.1 Ų | 78.1 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | C4 D5 R6 T10 L11 L12 | C4-V8 WeakPolarHBondContact O-CG2 3.48Å; C4-V8 PolarHBondContact O-N 3.25Å; D5-V8 PolarHBondContact O-N 3.33Å; R6-V8 VanDerWaalsContact C-N 3.32Å; V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.34Å; V8-L11 PolarHBondContact O-N 3.14Å; V8-L12 VanDerWaalsContact O-CB 3.31Å; V8-L12 WeakPolarHBondContact O-CB 3.28Å; V8-L12 PolarHBondContact O-N 2.89Å |
| 9 | Q | 86.8 | Confident | 80.6 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 23% | 0.234 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56 | -43.9 | 175.9 | -75.1 | 171.9 | -8.3 | 0 | 0 | 112.2 | D5 L12 A13 L202 I206 | D5-Q9 WeakPolarHBondContact O-CB 3.48Å; D5-Q9 VanDerWaalsContact O-CG 3.27Å; D5-Q9 WeakPolarHBondContact O-CG 3.49Å; D5-Q9 PolarHBondContact O-N 3.37Å; Q9-L12 PolarHBondContact O-N 2.85Å; Q9-A13 WeakPolarHBondContact O-CB 3.35Å; Q9-A13 PolarHBondContact O-N 2.92Å; Q9-L202 HydrophobicContact CB-CD1 4.41Å; Q9-L202 HydrophobicContact CG-CD1 4.41Å; Q9-I206 HydrophobicContact CB-CD1 4.04Å; Q9-I206 HydrophobicContact CB-CG1 4.33Å |
| 10 | T | 86.1 | Confident | 81.4 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.7 | -35.9 | 179.7 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | R6 G7 V8 I14 R130 | R6-T10 WeakPolarHBondContact O-CB 3.44Å; R6-T10 PolarHBondContact O-N 3.15Å; R6-T10 PolarHBondContact O-OG1 3.17Å; G7-T10 PolarHBondContact O-N 3.47Å; V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.34Å; T10-I14 HydrophobicContact CG2-CD1 4.35Å; T10-I14 WeakPolarHBondContact O-CD1 3.35Å; T10-I14 WeakPolarHBondContact O-CG1 3.36Å; T10-I14 PolarHBondContact O-N 3.39Å; T10-R130 HydrophobicContact CG2-CG 4.37Å |
| 11 | L | 89.5 | Confident | 82 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 171.9 | -81 | 162.8 | 0 | 0 | 0 | 111.7 | G7 V8 I14 A15 R130 | G7-L11 WeakPolarHBondContact O-CB 3.25Å; G7-L11 WeakPolarHBondContact O-CD1 3.37Å; G7-L11 WeakPolarHBondContact O-CG 3.49Å; G7-L11 PolarHBondContact O-N 2.74Å; V8-L11 PolarHBondContact O-N 3.14Å; L11-I14 PolarHBondContact O-N 3.32Å; L11-A15 WeakPolarHBondContact O-CB 3.31Å; L11-A15 PolarHBondContact O-N 2.86Å; L11-R130 VanDerWaalsContact CD2-NH1 3.26Å |
| 12 | L | 91.8 | Very high | 84.4 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.4 | -39.2 | 179.5 | -167.7 | 150.9 | 0 | 0 | 0 | 111.5 | V8 Q9 I14 A15 G16 L202 | V8-L12 VanDerWaalsContact O-CB 3.31Å; V8-L12 WeakPolarHBondContact O-CB 3.28Å; V8-L12 PolarHBondContact O-N 2.89Å; Q9-L12 PolarHBondContact O-N 2.85Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.36Å; L12-A15 PolarHBondContact O-N 3.07Å; L12-G16 PolarHBondContact O-N 2.86Å; L12-L202 HydrophobicContact CD2-CD2 3.59Å |
| 13 | A | 91.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q9 A17 V199 L202 I206 | Q9-A13 WeakPolarHBondContact O-CB 3.35Å; Q9-A13 PolarHBondContact O-N 2.92Å; A13-A17 VanDerWaalsContact O-CB 3.29Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.23Å; A13-V199 WeakPolarHBondContact O-CG1 3.39Å; A13-L202 HydrophobicContact CB-CD2 3.89Å; A13-L202 HydrophobicContact CB-CG 4.3Å; A13-I206 HydrophobicContact CB-CD1 4.45Å |
| 14 | I | 91.4 | Very high | 88.3 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 16% | 0.159 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.5 | -45.9 | 177.5 | -70.9 | 166.6 | 0 | 0 | 0 | 111.3 | T10 L11 L12 A17 F18 V126 R130 | T10-I14 HydrophobicContact CG2-CD1 4.35Å; T10-I14 WeakPolarHBondContact O-CD1 3.35Å; T10-I14 WeakPolarHBondContact O-CG1 3.36Å; T10-I14 PolarHBondContact O-N 3.39Å; L11-I14 PolarHBondContact O-N 3.32Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.36Å; I14-A17 PolarHBondContact O-N 2.87Å; I14-F18 HydrophobicContact CG2-CD2 3.81Å; I14-F18 HydrophobicContact CG2-CE2 3.6Å; I14-F18 VanDerWaalsContact O-CD2 3.24Å; I14-F18 WeakPolarHBondContact O-CD2 3.45Å; I14-F18 PolarHBondContact O-N 3.44Å; I14-V126 HydrophobicContact CD1-CG1 4.38Å; I14-V126 HydrophobicContact CG1-CG1 3.59Å; I14-R130 HydrophobicContact CD1-CB 4.49Å |
| 15 | A | 94.2 | Very high | 90.2 | Very high | 59 Ų | 59 | 51.1 Ų | 51.1 | 49% | 0.488 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L11 L12 A17 F18 A19 | L11-A15 WeakPolarHBondContact O-CB 3.31Å; L11-A15 PolarHBondContact O-N 2.86Å; L12-A15 PolarHBondContact O-N 3.07Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 2.75Å; A15-F18 PolarHBondContact O-N 3.31Å; A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.32Å |
| 16 | G | 94.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L12 A19 A20 V195 | L12-G16 PolarHBondContact O-N 2.86Å; G16-A19 PolarHBondContact O-N 3.39Å; G16-A20 WeakPolarHBondContact O-CB 3.47Å; G16-A20 PolarHBondContact O-N 2.99Å; G16-V195 WeakPolarHBondContact O-CG1 3.26Å |
| 17 | A | 94.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A13 I14 A15 F21 F146 V199 | A13-A17 VanDerWaalsContact O-CB 3.29Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.23Å; I14-A17 PolarHBondContact O-N 2.87Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 2.75Å; A17-F21 WeakPolarHBondContact O-CB 3.3Å; A17-F21 PolarHBondContact O-N 3.1Å; A17-F146 HydrophobicContact CB-CE2 3.72Å; A17-F146 HydrophobicContact CB-CZ 3.86Å; A17-V199 HydrophobicContact CB-CG1 4.29Å |
| 18 | F | 94.4 | Very high | 91.8 | Very high | 142 Ų | 142 | 47 Ų | 47 | 62% | 0.623 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.2 | -36.8 | 173.8 | -75.7 | -62.2 | 0 | 0 | 0 | 112.7 | I14 A15 S22 | I14-F18 HydrophobicContact CG2-CD2 3.81Å; I14-F18 HydrophobicContact CG2-CE2 3.6Å; I14-F18 VanDerWaalsContact O-CD2 3.24Å; I14-F18 WeakPolarHBondContact O-CD2 3.45Å; I14-F18 PolarHBondContact O-N 3.44Å; A15-F18 PolarHBondContact O-N 3.31Å; F18-S22 VanDerWaalsContact O-CB 3.28Å; F18-S22 WeakPolarHBondContact O-CB 3.34Å; F18-S22 PolarHBondContact O-N 3.22Å; F18-S22 PolarHBondContact O-OG 2.63Å |
| 19 | A | 95.8 | Very high | 91.6 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.5 | -48.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | A15 G16 F21 S22 L23 | A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.32Å; G16-A19 PolarHBondContact O-N 3.39Å; A19-F21 PolarHBondContact O-N 3.26Å; A19-S22 PolarHBondContact O-N 2.87Å; A19-L23 WeakPolarHBondContact O-CB 3.31Å; A19-L23 WeakPolarHBondContact O-CD1 3.27Å; A19-L23 WeakPolarHBondContact O-CG 3.44Å; A19-L23 PolarHBondContact O-N 2.95Å |
| 20 | A | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G16 M24 L119 F146 V195 A196 | G16-A20 WeakPolarHBondContact O-CB 3.47Å; G16-A20 PolarHBondContact O-N 2.99Å; A20-M24 VanDerWaalsContact O-CB 3.26Å; A20-M24 WeakPolarHBondContact O-CB 3.24Å; A20-M24 PolarHBondContact O-N 3.19Å; A20-L119 HydrophobicContact CB-CD2 4.48Å; A20-F146 HydrophobicContact CB-CE1 4.43Å; A20-V195 HydrophobicContact CB-CB 4.28Å; A20-V195 HydrophobicContact CB-CG1 3.99Å; A20-A196 HydrophobicContact CB-CB 4.34Å |
| 21 | F | 95.4 | Very high | 91.2 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 25% | 0.25 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 176.5 | 179.3 | -100.5 | 0 | 0 | 0 | 111.9 | A17 A19 L23 M24 T25 L119 M120 | A17-F21 WeakPolarHBondContact O-CB 3.3Å; A17-F21 PolarHBondContact O-N 3.1Å; A19-F21 PolarHBondContact O-N 3.26Å; F21-L23 PolarHBondContact O-N 3.18Å; F21-M24 PolarHBondContact O-N 2.96Å; F21-T25 PolarHBondContact O-N 2.72Å; F21-T25 PolarHBondContact O-OG1 3.24Å; F21-L119 HydrophobicContact CD2-CB 4.21Å; F21-M120 HydrophobicContact CD2-CB 4.18Å; F21-M120 HydrophobicContact CE2-CB 3.82Å; F21-M120 HydrophobicContact CE2-CE 3.97Å; F21-M120 HydrophobicContact CE2-CG 4.25Å; F21-M120 HydrophobicContact CZ-CE 3.92Å |
| 22 | S | 95.3 | Very high | 90.8 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | F18 A19 M24 T25 I26 | F18-S22 VanDerWaalsContact O-CB 3.28Å; F18-S22 WeakPolarHBondContact O-CB 3.34Å; F18-S22 PolarHBondContact O-N 3.22Å; F18-S22 PolarHBondContact O-OG 2.63Å; A19-S22 PolarHBondContact O-N 2.87Å; S22-M24 VanDerWaalsContact C-N 3.34Å; S22-M24 PolarHBondContact O-N 3.37Å; S22-T25 PolarHBondContact O-N 2.72Å; S22-I26 WeakPolarHBondContact O-CB 3.4Å; S22-I26 VanDerWaalsContact O-CG1 3.26Å; S22-I26 WeakPolarHBondContact O-CG1 3.06Å; S22-I26 PolarHBondContact O-N 2.93Å |
| 23 | L | 93.7 | Very high | 90.2 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 178.1 | -73.2 | 166.3 | 0 | 0 | 0 | 111.9 | A19 F21 I26 A27 F188 L191 | A19-L23 WeakPolarHBondContact O-CB 3.31Å; A19-L23 WeakPolarHBondContact O-CD1 3.27Å; A19-L23 WeakPolarHBondContact O-CG 3.44Å; A19-L23 PolarHBondContact O-N 2.95Å; F21-L23 PolarHBondContact O-N 3.18Å; L23-I26 PolarHBondContact O-N 2.78Å; L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.2Å; L23-F188 HydrophobicContact CD2-CB 4.37Å; L23-F188 HydrophobicContact CD2-CD1 3.74Å; L23-F188 HydrophobicContact CD2-CE1 4.39Å; L23-F188 HydrophobicContact CD2-CG 4.27Å; L23-L191 HydrophobicContact CD1-CD2 3.5Å |
| 24 | M | 92.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.4 | 171 | 57.2 | 75.7 | 0 | 0 | 112 | A20 F21 S22 I26 A27 I28 S115 T116 L119 N153 | A20-M24 VanDerWaalsContact O-CB 3.26Å; A20-M24 WeakPolarHBondContact O-CB 3.24Å; A20-M24 PolarHBondContact O-N 3.19Å; F21-M24 PolarHBondContact O-N 2.96Å; S22-M24 VanDerWaalsContact C-N 3.34Å; S22-M24 PolarHBondContact O-N 3.37Å; M24-I26 PolarHBondContact O-N 2.94Å; M24-A27 WeakPolarHBondContact O-CB 3.36Å; M24-A27 PolarHBondContact O-N 2.89Å; M24-I28 HydrophobicContact CG-CD1 4.49Å; M24-I28 PolarHBondContact O-N 3.1Å; M24-I28 HydrophobicContact SD-CD1 3.67Å; M24-I28 HydrophobicContact SD-CG1 3.88Å; M24-S115 VanDerWaalsContact CE-OG 3.27Å; M24-S115 WeakPolarHBondContact CE-OG 3.46Å; M24-T116 HydrophobicContact CG-CG2 3.41Å; M24-T116 VanDerWaalsContact CG-CG2 3.41Å; M24-T116 HydrophobicContact SD-CG2 3.93Å; M24-L119 HydrophobicContact CB-CD1 3.9Å; M24-L119 HydrophobicContact CG-CD1 4.01Å; M24-N153 HydrophobicContact CE-CB 4.01Å; M24-N153 WeakPolarHBondContact CE-ND2 3.5Å; M24-N153 WeakPolarHBondContact CE-OD1 3.24Å |
| 25 | T | 91.8 | Very high | 88.3 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 176.1 | -58 | 0 | 0 | 0 | 0 | 111.7 | F21 S22 G29 | F21-T25 PolarHBondContact O-N 2.72Å; F21-T25 PolarHBondContact O-OG1 3.24Å; S22-T25 PolarHBondContact O-N 2.72Å; T25-G29 WeakPolarHBondContact O-CA 3.45Å; T25-G29 PolarHBondContact O-N 2.93Å |
| 26 | I | 91.2 | Very high | 86.9 | Confident | 82 Ų | 82 | 40 Ų | 40 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62 | -45.5 | 172.1 | -69.9 | 163.3 | 0 | 0 | 0 | 110.1 | S22 L23 M24 G29 T30 F188 | S22-I26 WeakPolarHBondContact O-CB 3.4Å; S22-I26 VanDerWaalsContact O-CG1 3.26Å; S22-I26 WeakPolarHBondContact O-CG1 3.06Å; S22-I26 PolarHBondContact O-N 2.93Å; L23-I26 PolarHBondContact O-N 2.78Å; M24-I26 PolarHBondContact O-N 2.94Å; I26-G29 PolarHBondContact O-N 2.8Å; I26-T30 HydrophobicContact CG2-CG2 4.33Å; I26-T30 WeakPolarHBondContact O-CB 3.47Å; I26-T30 WeakPolarHBondContact O-CG2 3.33Å; I26-T30 PolarHBondContact O-N 3.48Å; I26-T30 VanDerWaalsContact O-N 3.15Å; I26-T30 PolarHBondContact O-OG1 2.79Å; I26-F188 HydrophobicContact CG2-CD2 4.27Å |
| 27 | A | 89.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.4 | -54.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L23 M24 G29 W33 S185 F188 | L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.2Å; M24-A27 WeakPolarHBondContact O-CB 3.36Å; M24-A27 PolarHBondContact O-N 2.89Å; A27-G29 PolarHBondContact O-N 3.35Å; A27-W33 PolarHBondContact O-NE1 2.94Å; A27-S185 VanDerWaalsContact CB-O 3.28Å; A27-S185 WeakPolarHBondContact CB-O 3.36Å; A27-F188 HydrophobicContact CB-CB 4.5Å |
| 28 | I | 86.3 | Confident | 83.4 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.108 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.7 | -33.5 | -179 | -65.9 | -178.4 | 0 | 0 | 0 | 112.6 | M24 W33 L67 W68 P112 T116 | M24-I28 HydrophobicContact CG-CD1 4.49Å; M24-I28 PolarHBondContact O-N 3.1Å; M24-I28 HydrophobicContact SD-CD1 3.67Å; M24-I28 HydrophobicContact SD-CG1 3.88Å; I28-W33 HydrophobicContact CG1-CZ2 4.47Å; I28-L67 HydrophobicContact CG1-CD2 4.21Å; I28-L67 HydrophobicContact CG2-CD2 4.23Å; I28-W68 HydrophobicContact CG2-CZ2 4.46Å; I28-P112 HydrophobicContact CD1-CB 3.58Å; I28-P112 HydrophobicContact CG1-CB 4.19Å; I28-T116 HydrophobicContact CD1-CG2 3.4Å |
| 29 | G | 82.9 | Confident | 81.4 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 64% | 0.639 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T25 I26 A27 | T25-G29 WeakPolarHBondContact O-CA 3.45Å; T25-G29 PolarHBondContact O-N 2.93Å; I26-G29 PolarHBondContact O-N 2.8Å; A27-G29 PolarHBondContact O-N 3.35Å |
| 30 | T | 85.4 | Confident | 79.5 | Confident | 43 Ų | 43 | 50 Ų | 50 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -127.3 | 136.9 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | I26 Y32 S185 | I26-T30 HydrophobicContact CG2-CG2 4.33Å; I26-T30 WeakPolarHBondContact O-CB 3.47Å; I26-T30 WeakPolarHBondContact O-CG2 3.33Å; I26-T30 PolarHBondContact O-N 3.48Å; I26-T30 VanDerWaalsContact O-N 3.15Å; I26-T30 PolarHBondContact O-OG1 2.79Å; T30-Y32 PolarHBondContact O-N 2.99Å; T30-S185 WeakPolarHBondContact OG1-CB 3.4Å; T30-S185 PolarHBondContact OG1-OG 3.32Å |
| 31 | D | 78.6 | Confident | 77.5 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -82.5 | 23 | -171.2 | -64.9 | -54.9 | 0 | 0 | 0 | 114.5 | H64 S65 G66 | D31-H64 PolarHBondContact O-CD2 2.82Å; D31-H64 VanDerWaalsContact O-CD2 3.25Å; D31-S65 CarbonylContact O-C 3.59Å; D31-G66 WeakPolarHBondContact O-CA 3.26Å; D31-G66 PolarHBondContact O-N 2.89Å; D31-G66 VanDerWaalsContact O-N 3.11Å |
| 32 | Y | 81.3 | Confident | 75.2 | Confident | 102 Ų | 102 | 51.2 Ų | 51.2 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | trans | -107.6 | 47.6 | -179.2 | -55.4 | -78.7 | 0 | 0 | 0 | 112.6 | T30 Y35 H64 G183 W184 S185 | T30-Y32 PolarHBondContact O-N 2.99Å; Y32-Y35 HydrophobicContact CD1-CE1 4.27Å; Y32-H64 HydrophobicContact CD1-CB 3.79Å; Y32-H64 AromaticContact CD1-CD2 3.83Å; Y32-H64 AromaticContact CD1-CG 3.71Å; Y32-H64 HydrophobicContact CE1-CB 4.18Å; Y32-H64 AromaticContact CE1-CD2 3.64Å; Y32-H64 AromaticContact CE1-CE1 3.62Å; Y32-H64 AromaticContact CE1-CG 3.61Å; Y32-H64 AromaticContact CE1-ND1 3.6Å; Y32-H64 AromaticContact CE1-NE2 3.64Å; Y32-H64 AromaticContact CZ-NE2 3.84Å; Y32-G183 CarbonylContact O-C 3.59Å; Y32-G183 WeakPolarHBondContact O-CA 3.44Å; Y32-W184 PolarHBondContact O-N 3.4Å; Y32-S185 WeakPolarHBondContact CB-OG 3.28Å; Y32-S185 VanDerWaalsContact O-CB 3.24Å; Y32-S185 WeakPolarHBondContact O-CB 3.44Å; Y32-S185 PolarHBondContact O-N 2.97Å; Y32-S185 VanDerWaalsContact O-N 3.11Å; Y32-S185 PolarHBondContact O-OG 3.25Å | ||
| 33 | W | 80 | Confident | 73 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -74.3 | -39.6 | 171.7 | -81.9 | 58.2 | 0 | 0 | 0 | 111.4 | A27 I28 S65 L67 Y160 G183 F186 | A27-W33 PolarHBondContact O-NE1 2.94Å; I28-W33 HydrophobicContact CG1-CZ2 4.47Å; W33-S65 WeakPolarHBondContact CB-O 3.38Å; W33-S65 PolarHBondContact N-O 2.78Å; W33-S65 VanDerWaalsContact N-O 3.15Å; W33-L67 HydrophobicContact CH2-CD1 4.38Å; W33-L67 HydrophobicContact CH2-CD2 4.43Å; W33-L67 HydrophobicContact CZ2-CD1 4.43Å; W33-L67 HydrophobicContact CZ2-CD2 4Å; W33-L67 HydrophobicContact CZ3-CD1 4.41Å; W33-Y160 WeakPolarHBondContact CB-OH 3.26Å; W33-Y160 HydrophobicContact CD2-CE2 4.34Å; W33-Y160 AromaticContact CE3-CD1 3.87Å; W33-Y160 HydrophobicContact CE3-CD1 3.87Å; W33-Y160 AromaticContact CE3-CD2 3.77Å; W33-Y160 HydrophobicContact CE3-CD2 3.77Å; W33-Y160 AromaticContact CE3-CE1 3.8Å; W33-Y160 HydrophobicContact CE3-CE1 3.8Å; W33-Y160 AromaticContact CE3-CE2 3.69Å; W33-Y160 HydrophobicContact CE3-CE2 3.69Å; W33-Y160 AromaticContact CE3-CG 3.86Å; W33-Y160 HydrophobicContact CE3-CG 3.86Å; W33-Y160 AromaticContact CE3-CZ 3.72Å; W33-Y160 HydrophobicContact CZ3-CD1 4.18Å; W33-Y160 AromaticContact CZ3-CD2 3.95Å; W33-Y160 HydrophobicContact CZ3-CD2 3.95Å; W33-Y160 HydrophobicContact CZ3-CE2 4.34Å; W33-Y160 AromaticContact CZ3-CG 3.87Å; W33-Y160 HydrophobicContact CZ3-CG 3.87Å; W33-G183 PolarHBondContact O-N 2.96Å; W33-F186 HydrophobicContact CE3-CD2 4.09Å; W33-F186 HydrophobicContact CZ3-CD2 4.35Å; W33-F186 WeakPolarHBondContact O-CB 3.45Å |
| 34 | L | 73.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 138.9 | -170 | -161.9 | 142.2 | 0 | 0 | 0 | 112.2 | H64 S65 Y160 Y180 Y182 | L34-H64 WeakPolarHBondContact O-CA 3.34Å; L34-S65 PolarHBondContact N-O 2.78Å; L34-S65 VanDerWaalsContact N-O 3.12Å; L34-S65 PolarHBondContact O-N 2.95Å; L34-S65 PolarHBondContact O-OG 2.69Å; L34-Y160 WeakPolarHBondContact CB-OH 3.03Å; L34-Y160 HydrophobicContact CD1-CE1 3.99Å; L34-Y180 HydrophobicContact CD1-CD1 3.58Å; L34-Y180 HydrophobicContact CD1-CE1 3.47Å; L34-Y180 VanDerWaalsContact CD1-CE1 3.47Å; L34-Y180 HydrophobicContact CD2-CD1 3.76Å; L34-Y180 HydrophobicContact CD2-CD2 4.31Å; L34-Y180 HydrophobicContact CD2-CE1 3.39Å; L34-Y180 HydrophobicContact CD2-CE2 3.99Å; L34-Y180 HydrophobicContact CD2-CG 4.18Å; L34-Y180 HydrophobicContact CG-CD1 4.1Å; L34-Y180 HydrophobicContact CG-CE1 4.02Å; L34-Y182 HydrophobicContact CD1-CD1 4.33Å; L34-Y182 HydrophobicContact CD1-CE1 4.22Å |
| 35 | Y | 69.1 | Low | 67.9 | Low | 51 Ų | 51 | 61.5 Ų | 61.5 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.9 | 171.5 | -65.5 | -74.8 | 0 | 0 | 0 | 109.9 | Y32 L62 T63 H64 I73 N181 | Y32-Y35 HydrophobicContact CD1-CE1 4.27Å; Y35-L62 HydrophobicContact CD1-CG 4.5Å; Y35-T63 WeakPolarHBondContact CA-O 3.45Å; Y35-H64 HydrophobicContact CD1-CB 4.13Å; Y35-H64 HydrophobicContact CE1-CB 3.97Å; Y35-I73 HydrophobicContact CD1-CD1 4.19Å; Y35-I73 HydrophobicContact CE1-CD1 3.94Å; Y35-N181 WeakPolarHBondContact CB-O 3.44Å; Y35-N181 PolarHBondContact N-O 3.2Å |
| 36 | S | 63.9 | Low | 65.5 | Low | 26 Ų | 26 | 65.5 Ų | 65.5 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 165 | 173.9 | -169.1 | 0 | 0 | 0 | 0 | 110 | T63 | S36-T63 PolarHBondContact N-O 3.46Å; S36-T63 PolarHBondContact O-N 3.25Å; S36-T63 PolarHBondContact O-OG1 3.26Å |
| 37 | R | 58.7 | Low | 62.9 | Low | 95 Ų | 95 | 67.5 Ų | 67.5 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 109.6 | 166.1 | -77.4 | -170.8 | 174.1 | -78.6 | -8.1 | 107.5 | G60 D61 L62 E74 | R37-G60 VanDerWaalsContact CB-O 3.29Å; R37-G60 WeakPolarHBondContact CB-O 3.49Å; R37-G60 WeakPolarHBondContact CD-O 3.36Å; R37-G60 WeakPolarHBondContact CG-O 3.48Å; R37-G60 PolarHBondContact NH1-O 2.87Å; R37-D61 WeakPolarHBondContact CA-O 3.32Å; R37-L62 HydrophobicContact CG-CD1 4.4Å; R37-E74 IonicContact CZ-OE2 2.74Å; R37-E74 IonicContact NH1-OE2 3.1Å; R37-E74 PolarHBondContact NH1-OE2 3.24Å; R37-E74 IonicContact NH2-OE2 2.68Å |
| 38 | A | 56.3 | Low | 60.3 | Low | 20 Ų | 20 | 72 Ų | 72 | 17% | 0.165 | 41% | 0.412 | C | S | . | . | trans | -128.4 | 127.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I40 D61 T63 | A38-I40 HydrophobicContact CB-CD1 4.45Å; A38-I40 HydrophobicContact CB-CG1 4.49Å; A38-I40 PolarHBondContact O-N 2.85Å; A38-I40 VanDerWaalsContact O-N 3.09Å; A38-D61 PolarHBondContact N-O 2.78Å; A38-T63 HydrophobicContact CB-CG2 4.09Å | ||
| 39 | Y | 53.6 | Low | 57.7 | Low | 174 Ų | 174 | 79 Ų | 79 | 68% | 0.682 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -69 | -6.4 | -178.1 | -56.9 | -73.5 | 0 | 0 | 0 | 114.2 | C41 N42 | Y39-C41 PolarHBondContact O-N 3.27Å; Y39-N42 WeakPolarHBondContact O-CB 3.47Å; Y39-N42 PolarHBondContact O-N 2.83Å |
| 40 | I | 55.1 | Low | 55.6 | Low | 122 Ų | 122 | 83.4 Ų | 83.4 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -56.7 | -32.3 | 179.9 | -57.2 | 170.6 | 0 | 0 | 0 | 111.9 | A38 N42 | A38-I40 HydrophobicContact CB-CD1 4.45Å; A38-I40 HydrophobicContact CB-CG1 4.49Å; A38-I40 PolarHBondContact O-N 2.85Å; A38-I40 VanDerWaalsContact O-N 3.09Å; I40-N42 PolarHBondContact O-N 3.48Å |
| 41 | C | 52.3 | Low | 53 | Low | 2 Ų | 2 | 87.3 Ų | 87.3 | 1% | 0.014 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -76.2 | -4.6 | 177.5 | -58 | 0 | 0 | 0 | 0 | 114.3 | Y39 D61 T63 C72 I76 | Y39-C41 PolarHBondContact O-N 3.27Å; C41-D61 HydrophobicContact CB-CB 4.4Å; C41-T63 WeakPolarHBondContact SG-CG2 3.14Å; C41-C72 HydrophobicContact CB-CB 3.84Å; C41-C72 WeakPolarHBondContact CB-SG 3.46Å; C41-C72 WeakPolarHBondContact SG-CB 3.46Å; C41-C72 CovalentContact SG-SG 2.03Å; C41-C72 PolarHBondContact SG-SG 2.84Å; C41-I76 PolarHBondContact O-N 3.43Å |
| 42 | N | 47.9 | Very low | 50.7 | Low | 79 Ų | 79 | 93.9 Ų | 93.9 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -110.5 | 25.9 | 179 | -170.1 | 60.9 | 0 | 0 | 0 | 112.2 | Y39 I40 T44 | Y39-N42 WeakPolarHBondContact O-CB 3.47Å; Y39-N42 PolarHBondContact O-N 2.83Å; I40-N42 PolarHBondContact O-N 3.48Å; N42-T44 VanDerWaalsContact C-N 3.28Å; N42-T44 PolarHBondContact O-N 2.96Å |
| 43 | A | 48.3 | Very low | 48.4 | Very low | 69 Ų | 69 | 96.7 Ų | 96.7 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | trans | -70.2 | 82 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 44 | T | 41.9 | Very low | 46.2 | Very low | 99 Ų | 99 | 105 Ų | 105 | 61% | 0.607 | 57% | 0.569 | S | S | * | * | trans | -62.6 | 148.6 | 163.3 | 48 | 0 | 0 | 0 | 0 | 110.2 | N42 I76 | N42-T44 VanDerWaalsContact C-N 3.28Å; N42-T44 PolarHBondContact O-N 2.96Å; T44-I76 HydrophobicContact CG2-CD1 3.72Å | ||
| 45 | N | 38.1 | Very low | 44 | Very low | 141 Ų | 141 | 110.2 Ų | 110.2 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | trans | -48.8 | 143.5 | -175.3 | -60.7 | -39.5 | 0 | 0 | 0 | 113.3 | T47 | N45-T47 PolarHBondContact O-N 3.22Š| ||
| 46 | V | 40.7 | Very low | 42.2 | Very low | 152 Ų | 152 | 116.6 Ų | 116.6 | 92% | 0.921 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -75.8 | 41.2 | -176.7 | -166.5 | 0 | 0 | 0 | 0 | 112 | ||
| 47 | T | 37.4 | Very low | 40.8 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 77% | 0.767 | 67% | 0.67 | S | S | * | * | trans | -153.5 | 73.9 | -177.1 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | N45 | N45-T47 PolarHBondContact O-N 3.22Š| ||
| 48 | A | 34.5 | Very low | 39.8 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | trans | -156.4 | 126.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 49 | D | 31 | Very low | 39.1 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | trans | -61.5 | 162.1 | -167.1 | -66.9 | -79.8 | 0 | 0 | 0 | 116.2 | T51 | D49-T51 PolarHBondContact O-N 3.39Š| ||
| 50 | D | 40 | Very low | 38.9 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 83% | 0.829 | 68% | 0.68 | S | S | * | * | trans | -49.1 | 122.4 | 164.5 | -74.8 | -60.1 | 0 | 0 | 0 | 112.2 | ||||
| 51 | T | 30.8 | Very low | 39 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | -179.4 | 156.3 | 123.7 | 25.6 | 0 | 0 | 0 | 0 | 113.2 | D49 | D49-T51 PolarHBondContact O-N 3.39Š| |||
| 52 | Q | 29.9 | Very low | 39.4 | Very low | 168 Ų | 168 | 122.3 Ų | 122.3 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | trans | 60.3 | 97.4 | 163.1 | -65.5 | 170.3 | 32.4 | 0 | 0 | 116.3 | ||||
| 53 | M | 33.4 | Very low | 40.4 | Very low | 162 Ų | 162 | 118.8 Ų | 118.8 | 80% | 0.798 | 65% | 0.649 | S | S | * | * | 66.8 | 111.9 | 79.9 | -173.1 | 175.1 | 169.1 | 0 | 0 | 113.9 | |||||
| 54 | Q | 33.5 | Very low | 41.5 | Very low | 177 Ų | 177 | 116.5 Ų | 116.5 | 83% | 0.827 | 63% | 0.627 | S | S | * | * | trans | 63.4 | 38.3 | 164.9 | -65.7 | -170.9 | -28.3 | 0 | 0 | 118.8 | K56 | Q54-K56 VanDerWaalsContact C-N 3.29Å; Q54-K56 PolarHBondContact O-N 2.79Å | ||
| 55 | S | 27.5 | Very low | 42.8 | Very low | 111 Ų | 111 | 112.2 Ų | 112.2 | 78% | 0.776 | 60% | 0.601 | S | S | * | * | trans | -71.3 | 84.3 | 157 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 56 | K | 30.4 | Very low | 44.5 | Very low | 184 Ų | 184 | 105.6 Ų | 105.6 | 80% | 0.8 | 57% | 0.566 | S | S | * | * | trans | 31.2 | 100.3 | 147.6 | -174.5 | -175.9 | -171.6 | 177 | 0 | 115.8 | Q54 V58 | Q54-K56 VanDerWaalsContact C-N 3.29Å; Q54-K56 PolarHBondContact O-N 2.79Å; K56-V58 WeakPolarHBondContact O-CG2 3.24Å; K56-V58 PolarHBondContact O-N 2.83Å | ||
| 57 | K | 34.7 | Very low | 45.9 | Very low | 211 Ų | 211 | 98.8 Ų | 98.8 | 92% | 0.917 | 52% | 0.524 | S | S | * | . | trans | -38.4 | 89.9 | 178.4 | -74 | -171.7 | 176.4 | -176.4 | 0 | 113.1 | ||||
| 58 | V | 37.5 | Very low | 47.5 | Very low | 103 Ų | 103 | 96.6 Ų | 96.6 | 62% | 0.624 | 50% | 0.502 | S | S | * | . | trans | -70.4 | 134.3 | 179 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | K56 G60 | K56-V58 WeakPolarHBondContact O-CG2 3.24Å; K56-V58 PolarHBondContact O-N 2.83Å; V58-G60 VanDerWaalsContact C-N 3.34Å; V58-G60 PolarHBondContact O-N 3.09Å | ||
| 59 | K | 42.7 | Very low | 49.4 | Very low | 166 Ų | 166 | 97.3 Ų | 97.3 | 72% | 0.722 | 48% | 0.484 | S | S | * | . | trans | -70.7 | 90 | -176.5 | -160.8 | -177.9 | -168.9 | -177.1 | 0 | 107.7 | D61 | K59-D61 PolarHBondContact O-N 3.3Š| ||
| 60 | G | 50.3 | Low | 51.5 | Low | 8 Ų | 8 | 91.6 Ų | 91.6 | 8% | 0.082 | 45% | 0.453 | C | S | . | . | trans | -43.6 | 129.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R37 V58 | R37-G60 VanDerWaalsContact CB-O 3.29Å; R37-G60 WeakPolarHBondContact CB-O 3.49Å; R37-G60 WeakPolarHBondContact CD-O 3.36Å; R37-G60 WeakPolarHBondContact CG-O 3.48Å; R37-G60 PolarHBondContact NH1-O 2.87Å; V58-G60 VanDerWaalsContact C-N 3.34Å; V58-G60 PolarHBondContact O-N 3.09Å | ||
| 61 | D | 55.6 | Low | 53.2 | Low | 23 Ų | 23 | 84.5 Ų | 84.5 | 12% | 0.123 | 42% | 0.416 | C | S | . | . | trans | -59.5 | 144.5 | -163.3 | -75.3 | -59.6 | 0 | 0 | 0 | 114 | R37 A38 C41 K59 T63 E74 G75 | R37-D61 WeakPolarHBondContact CA-O 3.32Å; A38-D61 PolarHBondContact N-O 2.78Å; C41-D61 HydrophobicContact CB-CB 4.4Å; K59-D61 PolarHBondContact O-N 3.3Å; D61-T63 PolarHBondContact O-N 3Å; D61-E74 HydrophobicContact CB-CB 3.84Å; D61-E74 WeakPolarHBondContact OD1-CB 3.21Å; D61-E74 WeakPolarHBondContact OD1-CG 3.39Å; D61-G75 WeakPolarHBondContact OD1-CA 3.41Å; D61-G75 PolarHBondContact OD1-N 3.47Å; D61-G75 WeakPolarHBondContact OD2-CA 3.29Å | ||
| 62 | L | 61.9 | Low | 55.2 | Low | 49 Ų | 49 | 78.7 Ų | 78.7 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.2 | 178.1 | -168.2 | 70.1 | 0 | 0 | 0 | 111.1 | Y35 R37 I73 E74 | Y35-L62 HydrophobicContact CD1-CG 4.5Å; R37-L62 HydrophobicContact CG-CD1 4.4Å; L62-I73 HydrophobicContact CD2-CD1 4Å; L62-I73 HydrophobicContact CG-CD1 4.09Å; L62-I73 WeakPolarHBondContact O-CB 3.28Å; L62-I73 PolarHBondContact O-N 3.04Å; L62-I73 VanDerWaalsContact O-N 3.16Å; L62-E74 HydrophobicContact CB-CB 4.32Å; L62-E74 PolarHBondContact N-OE2 3.2Å; L62-E74 VanDerWaalsContact N-OE2 3.11Å; L62-E74 PolarHBondContact O-N 3.23Å |
| 63 | T | 68.4 | Low | 57 | Low | 4 Ų | 4 | 73.6 Ų | 73.6 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 151.1 | 172.4 | 65 | 0 | 0 | 0 | 0 | 110.4 | Y35 S36 A38 C41 D61 | Y35-T63 WeakPolarHBondContact CA-O 3.45Å; S36-T63 PolarHBondContact N-O 3.46Å; S36-T63 PolarHBondContact O-N 3.25Å; S36-T63 PolarHBondContact O-OG1 3.26Å; A38-T63 HydrophobicContact CB-CG2 4.09Å; C41-T63 WeakPolarHBondContact SG-CG2 3.14Å; D61-T63 PolarHBondContact O-N 3Å |
| 64 | H | 71.3 | Confident | 58.3 | Low | 22 Ų | 22 | 69.9 Ų | 69.9 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.1 | 158.3 | 54.9 | -91.4 | 0 | 0 | 0 | 109 | D31 Y32 L34 Y35 C71 I73 | D31-H64 PolarHBondContact O-CD2 2.82Å; D31-H64 VanDerWaalsContact O-CD2 3.25Å; Y32-H64 HydrophobicContact CD1-CB 3.79Å; Y32-H64 AromaticContact CD1-CD2 3.83Å; Y32-H64 AromaticContact CD1-CG 3.71Å; Y32-H64 HydrophobicContact CE1-CB 4.18Å; Y32-H64 AromaticContact CE1-CD2 3.64Å; Y32-H64 AromaticContact CE1-CE1 3.62Å; Y32-H64 AromaticContact CE1-CG 3.61Å; Y32-H64 AromaticContact CE1-ND1 3.6Å; Y32-H64 AromaticContact CE1-NE2 3.64Å; Y32-H64 AromaticContact CZ-NE2 3.84Å; L34-H64 WeakPolarHBondContact O-CA 3.34Å; Y35-H64 HydrophobicContact CD1-CB 4.13Å; Y35-H64 HydrophobicContact CE1-CB 3.97Å; H64-C71 PolarHBondContact N-O 3.47Å; H64-C71 VanDerWaalsContact N-O 3.15Å; H64-C71 WeakPolarHBondContact NE2-CB 3.39Å; H64-C71 PolarHBondContact O-N 3.5Å; H64-I73 HydrophobicContact CB-CD1 4.26Å; H64-I73 WeakPolarHBondContact ND1-CD1 3.45Å; H64-I73 WeakPolarHBondContact ND1-CG1 3.33Å |
| 65 | S | 69.9 | Low | 59.7 | Low | 9 Ų | 9 | 62.8 Ų | 62.8 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.1 | 169.2 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | D31 W33 L34 | D31-S65 CarbonylContact O-C 3.59Å; W33-S65 WeakPolarHBondContact CB-O 3.38Å; W33-S65 PolarHBondContact N-O 2.78Å; W33-S65 VanDerWaalsContact N-O 3.15Å; L34-S65 PolarHBondContact N-O 2.78Å; L34-S65 VanDerWaalsContact N-O 3.12Å; L34-S65 PolarHBondContact O-N 2.95Å; L34-S65 PolarHBondContact O-OG 2.69Å |
| 66 | G | 74.1 | Confident | 61.2 | Low | 2 Ų | 2 | 62.4 Ų | 62.4 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -83.3 | -162.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D31 R69 | D31-G66 WeakPolarHBondContact O-CA 3.26Å; D31-G66 PolarHBondContact O-N 2.89Å; D31-G66 VanDerWaalsContact O-N 3.11Å; G66-R69 PolarHBondContact N-O 3.4Å | ||
| 67 | L | 68.6 | Low | 62.5 | Low | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -83.4 | -23 | 171.8 | -166.4 | 62.5 | 0 | 0 | 0 | 112 | I28 W33 S109 P112 Y160 | I28-L67 HydrophobicContact CG1-CD2 4.21Å; I28-L67 HydrophobicContact CG2-CD2 4.23Å; W33-L67 HydrophobicContact CH2-CD1 4.38Å; W33-L67 HydrophobicContact CH2-CD2 4.43Å; W33-L67 HydrophobicContact CZ2-CD1 4.43Å; W33-L67 HydrophobicContact CZ2-CD2 4Å; W33-L67 HydrophobicContact CZ3-CD1 4.41Å; L67-S109 WeakPolarHBondContact CD1-OG 3.26Å; L67-S109 WeakPolarHBondContact CD2-OG 3.26Å; L67-S109 WeakPolarHBondContact CG-OG 3.39Å; L67-P112 HydrophobicContact CD2-CB 4.41Å; L67-Y160 HydrophobicContact CD1-CD2 3.98Å; L67-Y160 HydrophobicContact CD1-CE2 4.12Å |
| 68 | W | 72.4 | Confident | 63.9 | Low | 78 Ų | 78 | 54 Ų | 54 | 30% | 0.295 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -123.2 | -32.5 | -173 | -52.1 | 94.7 | 0 | 0 | 0 | 113.8 | I28 W83 I84 I113 | I28-W68 HydrophobicContact CG2-CZ2 4.46Å; W68-W83 HydrophobicContact CB-CE3 4.48Å; W68-W83 HydrophobicContact CB-CH2 3.96Å; W68-W83 HydrophobicContact CB-CZ3 3.87Å; W68-W83 HydrophobicContact CD2-CH2 4.42Å; W68-W83 AromaticContact CE3-CH2 3.93Å; W68-W83 HydrophobicContact CE3-CH2 3.93Å; W68-W83 AromaticContact CE3-CZ3 3.86Å; W68-W83 HydrophobicContact CE3-CZ3 3.86Å; W68-W83 HydrophobicContact CG-CH2 4.49Å; W68-W83 VanDerWaalsContact O-CE3 3.28Å; W68-I84 PolarHBondContact O-N 2.95Å; W68-I113 HydrophobicContact CH2-CD1 3.6Å; W68-I113 HydrophobicContact CZ2-CD1 3.83Å; W68-I113 HydrophobicContact CZ2-CG1 4.28Å |
| 69 | R | 73.8 | Confident | 65.3 | Low | 110 Ų | 110 | 52 Ų | 52 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 159.2 | -172.5 | -61.1 | 173.6 | -179.7 | 179.6 | 0.4 | 111.3 | G66 F82 W83 | G66-R69 PolarHBondContact N-O 3.4Å; R69-F82 CarbonylContact C-O 3.56Å; R69-F82 VanDerWaalsContact CA-O 3.3Å; R69-F82 WeakPolarHBondContact CA-O 3.3Å; R69-W83 HydrophobicContact CG-CD2 4.36Å |
| 70 | I | 75.3 | Confident | 66.6 | Low | 47 Ų | 47 | 46.2 Ų | 46.2 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.9 | 169.6 | -58.3 | 175.6 | 0 | 0 | 0 | 107.9 | C81 F82 I84 | I70-C81 CarbonylContact O-C 3.57Å; I70-C81 WeakPolarHBondContact O-CA 3.32Å; I70-F82 PolarHBondContact N-O 3.39Å; I70-F82 PolarHBondContact O-N 2.91Å; I70-I84 HydrophobicContact CD1-CD1 4.06Å; I70-I84 HydrophobicContact CD1-CG1 3.85Å; I70-I84 HydrophobicContact CG1-CD1 3.85Å; I70-I84 HydrophobicContact CG1-CG1 3.71Å |
| 71 | C | 74.8 | Confident | 67.7 | Low | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.2 | -179.7 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | H64 S80 C81 | H64-C71 PolarHBondContact N-O 3.47Å; H64-C71 VanDerWaalsContact N-O 3.15Å; H64-C71 WeakPolarHBondContact NE2-CB 3.39Å; H64-C71 PolarHBondContact O-N 3.5Å; C71-S80 WeakPolarHBondContact CA-O 3.3Å; C71-C81 HydrophobicContact CB-CB 4.14Å; C71-C81 WeakPolarHBondContact CB-SG 3.32Å; C71-C81 WeakPolarHBondContact SG-CB 3.23Å; C71-C81 CovalentContact SG-SG 2.04Å; C71-C81 PolarHBondContact SG-SG 2.83Å |
| 72 | C | 72.3 | Confident | 68.4 | Low | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 119.2 | 179.2 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | C41 N77 G79 S80 | C41-C72 HydrophobicContact CB-CB 3.84Å; C41-C72 WeakPolarHBondContact CB-SG 3.46Å; C41-C72 WeakPolarHBondContact SG-CB 3.46Å; C41-C72 CovalentContact SG-SG 2.03Å; C41-C72 PolarHBondContact SG-SG 2.84Å; C72-N77 WeakPolarHBondContact CB-O 3.44Å; C72-G79 PolarHBondContact O-N 3.09Å; C72-S80 PolarHBondContact N-O 3.09Å; C72-S80 VanDerWaalsContact N-O 3.15Å |
| 73 | I | 68.7 | Low | 68.6 | Low | 61 Ų | 61 | 58 Ų | 58 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -87.8 | -37.9 | 174.3 | -48.9 | 172.8 | 0 | 0 | 0 | 110.6 | Y35 L62 H64 K78 | Y35-I73 HydrophobicContact CD1-CD1 4.19Å; Y35-I73 HydrophobicContact CE1-CD1 3.94Å; L62-I73 HydrophobicContact CD2-CD1 4Å; L62-I73 HydrophobicContact CG-CD1 4.09Å; L62-I73 WeakPolarHBondContact O-CB 3.28Å; L62-I73 PolarHBondContact O-N 3.04Å; L62-I73 VanDerWaalsContact O-N 3.16Å; H64-I73 HydrophobicContact CB-CD1 4.26Å; H64-I73 WeakPolarHBondContact ND1-CD1 3.45Å; H64-I73 WeakPolarHBondContact ND1-CG1 3.33Å; I73-K78 WeakPolarHBondContact O-CD 3.46Å; I73-K78 VanDerWaalsContact O-CE 3.25Å; I73-K78 WeakPolarHBondContact O-CE 3.44Å; I73-K78 WeakPolarHBondContact O-CG 3.46Å |
| 74 | E | 61.3 | Low | 68.5 | Low | 84 Ų | 84 | 59.8 Ų | 59.8 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -119.5 | 166.3 | -177 | -141.9 | 171.6 | -157.6 | 0 | 0 | 107.6 | R37 D61 L62 | R37-E74 IonicContact CZ-OE2 2.74Å; R37-E74 IonicContact NH1-OE2 3.1Å; R37-E74 PolarHBondContact NH1-OE2 3.24Å; R37-E74 IonicContact NH2-OE2 2.68Å; D61-E74 HydrophobicContact CB-CB 3.84Å; D61-E74 WeakPolarHBondContact OD1-CB 3.21Å; D61-E74 WeakPolarHBondContact OD1-CG 3.39Å; L62-E74 HydrophobicContact CB-CB 4.32Å; L62-E74 PolarHBondContact N-OE2 3.2Å; L62-E74 VanDerWaalsContact N-OE2 3.11Å; L62-E74 PolarHBondContact O-N 3.23Å |
| 75 | G | 62.2 | Low | 67.6 | Low | 27 Ų | 27 | 65.4 Ų | 65.4 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 90.4 | -175.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | D61 | D61-G75 WeakPolarHBondContact OD1-CA 3.41Å; D61-G75 PolarHBondContact OD1-N 3.47Å; D61-G75 WeakPolarHBondContact OD2-CA 3.29Å |
| 76 | I | 58.9 | Low | 66.9 | Low | 103 Ų | 103 | 67.7 Ų | 67.7 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -46.7 | -168.5 | -51.6 | 174.2 | 0 | 0 | 0 | 111.1 | C41 T44 K78 | C41-I76 PolarHBondContact O-N 3.43Å; T44-I76 HydrophobicContact CG2-CD1 3.72Å; I76-K78 PolarHBondContact O-N 3.05Å; I76-K78 VanDerWaalsContact O-N 3.1Å |
| 77 | N | 57.8 | Low | 65.4 | Low | 63 Ų | 63 | 73.5 Ų | 73.5 | 34% | 0.337 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 48 | -179.1 | -69.2 | -31.5 | 0 | 0 | 0 | 112.1 | C72 G79 S80 | C72-N77 WeakPolarHBondContact CB-O 3.44Å; N77-G79 PolarHBondContact O-N 3.47Å; N77-S80 WeakPolarHBondContact O-CB 3.4Å; N77-S80 PolarHBondContact O-N 3.35Å; N77-S80 PolarHBondContact O-OG 3.42Å |
| 78 | K | 64.3 | Low | 64.5 | Low | 156 Ų | 156 | 77.5 Ų | 77.5 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 122.6 | -176.9 | 179.5 | 168.6 | -177.3 | 171.1 | 0 | 111.8 | I73 I76 S80 | I73-K78 WeakPolarHBondContact O-CD 3.46Å; I73-K78 VanDerWaalsContact O-CE 3.25Å; I73-K78 WeakPolarHBondContact O-CE 3.44Å; I73-K78 WeakPolarHBondContact O-CG 3.46Å; I76-K78 PolarHBondContact O-N 3.05Å; I76-K78 VanDerWaalsContact O-N 3.1Å; K78-S80 VanDerWaalsContact C-N 3.33Å |
| 79 | G | 66.6 | Low | 63.2 | Low | 60 Ų | 60 | 82 Ų | 82 | 62% | 0.619 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -4.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C72 N77 | C72-G79 PolarHBondContact O-N 3.09Å; N77-G79 PolarHBondContact O-N 3.47Å |
| 80 | S | 69.9 | Low | 61.8 | Low | 45 Ų | 45 | 84 Ų | 84 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | trans | -71.2 | 132.2 | 168.7 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | C71 C72 N77 K78 | C71-S80 WeakPolarHBondContact CA-O 3.3Å; C72-S80 PolarHBondContact N-O 3.09Å; C72-S80 VanDerWaalsContact N-O 3.15Å; N77-S80 WeakPolarHBondContact O-CB 3.4Å; N77-S80 PolarHBondContact O-N 3.35Å; N77-S80 PolarHBondContact O-OG 3.42Å; K78-S80 VanDerWaalsContact C-N 3.33Å | ||
| 81 | C | 73.1 | Confident | 60.4 | Low | 70 Ų | 70 | 88.9 Ų | 88.9 | 47% | 0.473 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.4 | 175.4 | -67.1 | 0 | 0 | 0 | 0 | 109.8 | I70 C71 | I70-C81 CarbonylContact O-C 3.57Å; I70-C81 WeakPolarHBondContact O-CA 3.32Å; C71-C81 HydrophobicContact CB-CB 4.14Å; C71-C81 WeakPolarHBondContact CB-SG 3.32Å; C71-C81 WeakPolarHBondContact SG-CB 3.23Å; C71-C81 CovalentContact SG-SG 2.04Å; C71-C81 PolarHBondContact SG-SG 2.83Å |
| 82 | F | 69.8 | Low | 59.2 | Low | 108 Ų | 108 | 96.9 Ų | 96.9 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.8 | 179.2 | -60.3 | -84.3 | 0 | 0 | 0 | 110.3 | R69 I70 | R69-F82 CarbonylContact C-O 3.56Å; R69-F82 VanDerWaalsContact CA-O 3.3Å; R69-F82 WeakPolarHBondContact CA-O 3.3Å; I70-F82 PolarHBondContact N-O 3.39Å; I70-F82 PolarHBondContact O-N 2.91Å |
| 83 | W | 67.8 | Low | 58 | Low | 151 Ų | 151 | 100.5 Ų | 100.5 | 57% | 0.572 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 144.9 | 167.5 | -91.7 | 92.5 | 0 | 0 | 0 | 110.1 | W68 R69 N85 | W68-W83 HydrophobicContact CB-CE3 4.48Å; W68-W83 HydrophobicContact CB-CH2 3.96Å; W68-W83 HydrophobicContact CB-CZ3 3.87Å; W68-W83 HydrophobicContact CD2-CH2 4.42Å; W68-W83 AromaticContact CE3-CH2 3.93Å; W68-W83 HydrophobicContact CE3-CH2 3.93Å; W68-W83 AromaticContact CE3-CZ3 3.86Å; W68-W83 HydrophobicContact CE3-CZ3 3.86Å; W68-W83 HydrophobicContact CG-CH2 4.49Å; W68-W83 VanDerWaalsContact O-CE3 3.28Å; R69-W83 HydrophobicContact CG-CD2 4.36Å; W83-N85 PolarHBondContact O-N 3.29Å; W83-N85 VanDerWaalsContact O-N 3.14Å |
| 84 | I | 64.9 | Low | 57.1 | Low | 41 Ų | 41 | 105.7 Ų | 105.7 | 21% | 0.21 | 55% | 0.553 | C | S | . | * | trans | -78.5 | 100.6 | 178.2 | -54.7 | 173.8 | 0 | 0 | 0 | 108.7 | W68 I70 H86 | W68-I84 PolarHBondContact O-N 2.95Å; I70-I84 HydrophobicContact CD1-CD1 4.06Å; I70-I84 HydrophobicContact CD1-CG1 3.85Å; I70-I84 HydrophobicContact CG1-CD1 3.85Å; I70-I84 HydrophobicContact CG1-CG1 3.71Å; I84-H86 WeakPolarHBondContact CG2-CE1 3.38Å; I84-H86 PolarHBondContact O-N 2.86Å; I84-H86 VanDerWaalsContact O-N 3.09Å; I84-H86 PolarHBondContact O-ND1 3.28Å | ||
| 85 | N | 53.7 | Low | 56.4 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | trans | -68 | 103.9 | 165.1 | -71.7 | -8.9 | 0 | 0 | 0 | 108 | W83 F87 | W83-N85 PolarHBondContact O-N 3.29Å; W83-N85 VanDerWaalsContact O-N 3.14Å; N85-F87 PolarHBondContact O-N 3.45Å | ||
| 86 | H | 54.7 | Low | 55.9 | Low | 56 Ų | 56 | 110 Ų | 110 | 26% | 0.259 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -78.3 | -5 | -176.2 | -77 | 81.8 | 0 | 0 | 0 | 113.8 | I84 A107 | I84-H86 WeakPolarHBondContact CG2-CE1 3.38Å; I84-H86 PolarHBondContact O-N 2.86Å; I84-H86 VanDerWaalsContact O-N 3.09Å; I84-H86 PolarHBondContact O-ND1 3.28Å; H86-A107 HydrophobicContact CB-CB 4Å; H86-A107 WeakPolarHBondContact CD2-CB 3.29Å; H86-A107 VanDerWaalsContact CG-CB 3.43Å; H86-A107 WeakPolarHBondContact NE2-CA 3.45Å |
| 87 | F | 43.4 | Very low | 55.7 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 55% | 0.548 | 58% | 0.583 | S | S | . | * | trans | -112.6 | 104.7 | 167.2 | -71.6 | -96.2 | 0 | 0 | 0 | 108 | N85 E89 Y100 | N85-F87 PolarHBondContact O-N 3.45Å; F87-E89 PolarHBondContact O-N 2.89Å; F87-Y100 AromaticContact CE1-CE1 3.75Å; F87-Y100 HydrophobicContact CE1-CE1 3.75Å; F87-Y100 HydrophobicContact CZ-CE1 4.24Å | ||
| 88 | P | 48.7 | Very low | 55.6 | Low | 92 Ų | 92 | 110.1 Ų | 110.1 | 60% | 0.597 | 59% | 0.59 | S | S | * | * | trans | -69 | 112.5 | 141.1 | 30.6 | -27.2 | 0 | 0 | 0 | 107 | ||||
| 89 | E | 45.6 | Very low | 55.2 | Low | 172 Ų | 172 | 105.5 Ų | 105.5 | 80% | 0.804 | 57% | 0.571 | S | S | * | * | trans | -61.4 | 161.6 | 148.4 | -80.6 | 158.6 | 116.1 | 0 | 0 | 108.4 | F87 | F87-E89 PolarHBondContact O-N 2.89Š| ||
| 90 | D | 43.8 | Very low | 54.6 | Low | 154 Ų | 154 | 106.5 Ų | 106.5 | 82% | 0.824 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 72.2 | 61 | -173.7 | -48.3 | -29.3 | 0 | 0 | 0 | 116.2 | ||
| 91 | N | 47.1 | Very low | 53.9 | Low | 148 Ų | 148 | 109.3 Ų | 109.3 | 79% | 0.791 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -162.3 | 139.5 | 137.2 | -100.5 | -58.4 | 0 | 0 | 0 | 111.5 | Y93 | N91-Y93 PolarHBondContact O-N 3.14Š|
| 92 | D | 48.3 | Very low | 53.2 | Low | 173 Ų | 173 | 108.9 Ų | 108.9 | 93% | 0.925 | 56% | 0.56 | S | S | * | * | trans | -64.7 | 129.6 | 177.4 | -82.8 | -50.2 | 0 | 0 | 0 | 111.4 | ||||
| 93 | Y | 48.4 | Very low | 52.6 | Low | 81 Ų | 81 | 108 Ų | 108 | 32% | 0.318 | 55% | 0.554 | S | S | . | * | trans | -116.4 | 47 | -161 | -129.8 | -62.3 | 0 | 0 | 0 | 114.5 | N91 T95 Y100 R103 | N91-Y93 PolarHBondContact O-N 3.14Å; Y93-T95 PolarHBondContact O-N 3.46Å; Y93-Y100 AromaticContact CD1-CD2 3.89Å; Y93-Y100 HydrophobicContact CD1-CD2 3.89Å; Y93-Y100 AromaticContact CD1-CE2 3.6Å; Y93-Y100 HydrophobicContact CD1-CE2 3.6Å; Y93-Y100 AromaticContact CD2-CE2 3.78Å; Y93-Y100 HydrophobicContact CD2-CE2 3.78Å; Y93-Y100 AromaticContact CE1-CD2 3.93Å; Y93-Y100 HydrophobicContact CE1-CD2 3.93Å; Y93-Y100 AromaticContact CE1-CE2 3.86Å; Y93-Y100 HydrophobicContact CE1-CE2 3.86Å; Y93-Y100 HydrophobicContact CE2-CE2 4.01Å; Y93-Y100 HydrophobicContact CG-CD2 4.33Å; Y93-Y100 AromaticContact CG-CE2 3.56Å; Y93-Y100 HydrophobicContact CG-CE2 3.56Å; Y93-R103 PolarHBondContact OH-NE 2.9Å; Y93-R103 PolarHBondContact OH-NH1 2.85Å; Y93-R103 VanDerWaalsContact OH-NH1 3.11Å; Y93-R103 PolarHBondContact OH-NH2 2.89Å | ||
| 94 | D | 48 | Very low | 52 | Low | 171 Ų | 171 | 104.9 Ų | 104.9 | 91% | 0.914 | 55% | 0.547 | S | S | * | . | trans | -80.6 | 59.3 | 170.4 | -94.9 | -33.9 | 0 | 0 | 0 | 111.8 | ||||
| 95 | T | 48.5 | Very low | 51.5 | Low | 95 Ų | 95 | 104.5 Ų | 104.5 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -151.9 | 132.1 | 160.8 | -30.3 | 0 | 0 | 0 | 0 | 112.2 | Y93 | Y93-T95 PolarHBondContact O-N 3.46Š|
| 96 | D | 50.8 | Low | 51.6 | Low | 106 Ų | 106 | 100.5 Ų | 100.5 | 57% | 0.567 | 52% | 0.521 | S | S | * | . | trans | 43 | 93.9 | 161.5 | -68.8 | 0.5 | 0 | 0 | 0 | 119.1 | S98 E99 | D96-S98 PolarHBondContact O-N 2.89Å; D96-E99 WeakPolarHBondContact O-CB 3.46Å; D96-E99 PolarHBondContact O-N 2.88Å | ||
| 97 | S | 55.4 | Low | 51.6 | Low | 98 Ų | 98 | 99.2 Ų | 99.2 | 69% | 0.685 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -52.9 | -24.8 | 169.9 | -40.3 | 0 | 0 | 0 | 0 | 114.1 | I101 | S97-I101 WeakPolarHBondContact O-CD1 3.4Å; S97-I101 VanDerWaalsContact O-CG1 3.29Å; S97-I101 WeakPolarHBondContact O-CG1 3.38Å; S97-I101 PolarHBondContact O-N 3.28Å; S97-I101 VanDerWaalsContact O-N 3.07Å |
| 98 | S | 54.1 | Low | 52.2 | Low | 70 Ų | 70 | 95.1 Ų | 95.1 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 172.7 | 35 | 0 | 0 | 0 | 0 | 113.5 | D96 I101 L102 | D96-S98 PolarHBondContact O-N 2.89Å; S98-I101 PolarHBondContact O-N 3.47Å; S98-L102 WeakPolarHBondContact O-CG 3.49Å; S98-L102 PolarHBondContact O-N 3.39Å |
| 99 | E | 55.9 | Low | 53.2 | Low | 60 Ų | 60 | 90.8 Ų | 90.8 | 28% | 0.28 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.7 | -41.1 | 179 | -146.7 | -145.2 | 128.5 | 0 | 0 | 110.5 | D96 I101 L102 R103 | D96-E99 WeakPolarHBondContact O-CB 3.46Å; D96-E99 PolarHBondContact O-N 2.88Å; E99-I101 VanDerWaalsContact C-N 3.32Å; E99-I101 PolarHBondContact O-N 3.01Å; E99-L102 PolarHBondContact O-N 3.48Å; E99-L102 VanDerWaalsContact O-N 3.14Å; E99-R103 WeakPolarHBondContact O-CG 3.5Å; E99-R103 PolarHBondContact O-N 2.92Å; E99-R103 IonicContact OE1-CZ 2.69Å; E99-R103 IonicContact OE1-NE 3.23Å; E99-R103 PolarHBondContact OE1-NE 3.14Å; E99-R103 IonicContact OE1-NH2 2.78Å; E99-R103 PolarHBondContact OE1-NH2 3.37Å |
| 100 | Y | 55.5 | Low | 54.8 | Low | 80 Ų | 80 | 87 Ų | 87 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -55.1 | -45.7 | 170.3 | -118.9 | -73.7 | 0 | 0 | 0 | 112.2 | F87 Y93 R103 I104 | F87-Y100 AromaticContact CE1-CE1 3.75Å; F87-Y100 HydrophobicContact CE1-CE1 3.75Å; F87-Y100 HydrophobicContact CZ-CE1 4.24Å; Y93-Y100 AromaticContact CD1-CD2 3.89Å; Y93-Y100 HydrophobicContact CD1-CD2 3.89Å; Y93-Y100 AromaticContact CD1-CE2 3.6Å; Y93-Y100 HydrophobicContact CD1-CE2 3.6Å; Y93-Y100 AromaticContact CD2-CE2 3.78Å; Y93-Y100 HydrophobicContact CD2-CE2 3.78Å; Y93-Y100 AromaticContact CE1-CD2 3.93Å; Y93-Y100 HydrophobicContact CE1-CD2 3.93Å; Y93-Y100 AromaticContact CE1-CE2 3.86Å; Y93-Y100 HydrophobicContact CE1-CE2 3.86Å; Y93-Y100 HydrophobicContact CE2-CE2 4.01Å; Y93-Y100 HydrophobicContact CG-CD2 4.33Å; Y93-Y100 AromaticContact CG-CE2 3.56Å; Y93-Y100 HydrophobicContact CG-CE2 3.56Å; Y100-R103 PolarHBondContact O-N 3.23Å; Y100-I104 HydrophobicContact CD1-CD1 4.15Å; Y100-I104 VanDerWaalsContact O-CG1 3.29Å; Y100-I104 WeakPolarHBondContact O-CG1 3.43Å; Y100-I104 PolarHBondContact O-N 3.15Å |
| 101 | I | 54.8 | Low | 56.7 | Low | 104 Ų | 104 | 83.1 Ų | 83.1 | 53% | 0.533 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176 | -71.2 | 164.6 | 0 | 0 | 0 | 111.3 | S97 S98 E99 I104 V105 | S97-I101 WeakPolarHBondContact O-CD1 3.4Å; S97-I101 VanDerWaalsContact O-CG1 3.29Å; S97-I101 WeakPolarHBondContact O-CG1 3.38Å; S97-I101 PolarHBondContact O-N 3.28Å; S97-I101 VanDerWaalsContact O-N 3.07Å; S98-I101 PolarHBondContact O-N 3.47Å; E99-I101 VanDerWaalsContact C-N 3.32Å; E99-I101 PolarHBondContact O-N 3.01Å; I101-I104 PolarHBondContact O-N 2.9Å; I101-V105 HydrophobicContact CG2-CG2 4.29Å; I101-V105 WeakPolarHBondContact O-CB 3.25Å; I101-V105 VanDerWaalsContact O-CG2 3.29Å; I101-V105 WeakPolarHBondContact O-CG2 3.38Å; I101-V105 PolarHBondContact O-N 3.17Å |
| 102 | L | 57.9 | Low | 58.5 | Low | 62 Ų | 62 | 76.5 Ų | 76.5 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 176.9 | -72.3 | 167.7 | 0 | 0 | 0 | 112.1 | S98 E99 V105 R106 V159 | S98-L102 WeakPolarHBondContact O-CG 3.49Å; S98-L102 PolarHBondContact O-N 3.39Å; E99-L102 PolarHBondContact O-N 3.48Å; E99-L102 VanDerWaalsContact O-N 3.14Å; L102-V105 PolarHBondContact O-N 3.18Å; L102-R106 PolarHBondContact O-N 3.15Å; L102-V159 HydrophobicContact CD2-CG1 3.92Å |
| 103 | R | 57.5 | Low | 60.4 | Low | 89 Ų | 89 | 70.8 Ų | 70.8 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.8 | -69 | 177.5 | -178.2 | -141.7 | 3.2 | 111.6 | Y93 E99 Y100 R106 A107 | Y93-R103 PolarHBondContact OH-NE 2.9Å; Y93-R103 PolarHBondContact OH-NH1 2.85Å; Y93-R103 VanDerWaalsContact OH-NH1 3.11Å; Y93-R103 PolarHBondContact OH-NH2 2.89Å; E99-R103 WeakPolarHBondContact O-CG 3.5Å; E99-R103 PolarHBondContact O-N 2.92Å; E99-R103 IonicContact OE1-CZ 2.69Å; E99-R103 IonicContact OE1-NE 3.23Å; E99-R103 PolarHBondContact OE1-NE 3.14Å; E99-R103 IonicContact OE1-NH2 2.78Å; E99-R103 PolarHBondContact OE1-NH2 3.37Å; Y100-R103 PolarHBondContact O-N 3.23Å; R103-R106 PolarHBondContact O-N 3.49Å; R103-A107 WeakPolarHBondContact O-CB 3.38Å; R103-A107 PolarHBondContact O-N 2.91Å |
| 104 | I | 54.6 | Low | 62.3 | Low | 85 Ų | 85 | 71.1 Ų | 71.1 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 176.7 | -69.8 | 165.2 | 0 | 0 | 0 | 112.5 | Y100 I101 R106 A107 S108 | Y100-I104 HydrophobicContact CD1-CD1 4.15Å; Y100-I104 VanDerWaalsContact O-CG1 3.29Å; Y100-I104 WeakPolarHBondContact O-CG1 3.43Å; Y100-I104 PolarHBondContact O-N 3.15Å; I101-I104 PolarHBondContact O-N 2.9Å; I104-R106 VanDerWaalsContact C-N 3.33Å; I104-R106 PolarHBondContact O-N 2.91Å; I104-A107 PolarHBondContact O-N 2.89Å; I104-S108 WeakPolarHBondContact O-CB 3.26Å; I104-S108 PolarHBondContact O-N 3.47Å; I104-S108 PolarHBondContact O-OG 3.33Å |
| 105 | V | 55.6 | Low | 64.4 | Low | 34 Ų | 34 | 63 Ų | 63 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 177.2 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | I101 L102 S108 S109 F111 V159 | I101-V105 HydrophobicContact CG2-CG2 4.29Å; I101-V105 WeakPolarHBondContact O-CB 3.25Å; I101-V105 VanDerWaalsContact O-CG2 3.29Å; I101-V105 WeakPolarHBondContact O-CG2 3.38Å; I101-V105 PolarHBondContact O-N 3.17Å; L102-V105 PolarHBondContact O-N 3.18Å; V105-S108 PolarHBondContact O-OG 3.03Å; V105-S109 PolarHBondContact O-N 2.95Å; V105-S109 VanDerWaalsContact O-N 3.13Å; V105-F111 HydrophobicContact CG1-CD2 3.63Å; V105-F111 HydrophobicContact CG1-CE2 3.58Å; V105-V159 HydrophobicContact CB-CG1 4.24Å; V105-V159 HydrophobicContact CG1-CB 4.44Å; V105-V159 HydrophobicContact CG1-CG1 3.68Å |
| 106 | R | 55.7 | Low | 66.5 | Low | 55 Ų | 55 | 59.6 Ų | 59.6 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -53.1 | 169.3 | -176.1 | -173.4 | -174.3 | 141.3 | -2.7 | 111.2 | L102 R103 I104 S108 S109 S163 N164 | L102-R106 PolarHBondContact O-N 3.15Å; R103-R106 PolarHBondContact O-N 3.49Å; I104-R106 VanDerWaalsContact C-N 3.33Å; I104-R106 PolarHBondContact O-N 2.91Å; R106-S108 VanDerWaalsContact C-N 3.3Å; R106-S108 PolarHBondContact O-N 2.85Å; R106-S109 PolarHBondContact O-N 3.05Å; R106-S109 PolarHBondContact O-OG 2.98Å; R106-S163 PolarHBondContact NH1-O 2.79Å; R106-S163 PolarHBondContact NH1-OG 3.35Å; R106-N164 PolarHBondContact NH1-ND2 2.87Å; R106-N164 PolarHBondContact NH1-OD1 2.85Å; R106-N164 PolarHBondContact NH2-ND2 3.41Å; R106-N164 PolarHBondContact NH2-OD1 3.44Å |
| 107 | A | 53.4 | Low | 68.5 | Low | 30 Ų | 30 | 57.7 Ų | 57.7 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.6 | -42.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H86 R103 I104 | H86-A107 HydrophobicContact CB-CB 4Å; H86-A107 WeakPolarHBondContact CD2-CB 3.29Å; H86-A107 VanDerWaalsContact CG-CB 3.43Å; H86-A107 WeakPolarHBondContact NE2-CA 3.45Å; R103-A107 WeakPolarHBondContact O-CB 3.38Å; R103-A107 PolarHBondContact O-N 2.91Å; I104-A107 PolarHBondContact O-N 2.89Å |
| 108 | S | 57.3 | Low | 70.3 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -85.8 | -17.7 | -176.5 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | I104 V105 R106 L110 I113 | I104-S108 WeakPolarHBondContact O-CB 3.26Å; I104-S108 PolarHBondContact O-N 3.47Å; I104-S108 PolarHBondContact O-OG 3.33Å; V105-S108 PolarHBondContact O-OG 3.03Å; R106-S108 VanDerWaalsContact C-N 3.3Å; R106-S108 PolarHBondContact O-N 2.85Å; S108-L110 PolarHBondContact O-N 3.37Å; S108-I113 WeakPolarHBondContact O-CD1 3.46Å |
| 109 | S | 69.5 | Low | 72.2 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | trans | 51.6 | 26 | 175.1 | -73.6 | 0 | 0 | 0 | 0 | 115.2 | L67 V105 R106 F111 P112 I113 | L67-S109 WeakPolarHBondContact CD1-OG 3.26Å; L67-S109 WeakPolarHBondContact CD2-OG 3.26Å; L67-S109 WeakPolarHBondContact CG-OG 3.39Å; V105-S109 PolarHBondContact O-N 2.95Å; V105-S109 VanDerWaalsContact O-N 3.13Å; R106-S109 PolarHBondContact O-N 3.05Å; R106-S109 PolarHBondContact O-OG 2.98Å; S109-F111 VanDerWaalsContact C-N 3.33Å; S109-F111 PolarHBondContact O-N 3.18Å; S109-P112 VanDerWaalsContact O-CD 3.27Å; S109-P112 WeakPolarHBondContact O-CD 3.48Å; S109-I113 VanDerWaalsContact O-CD1 3.32Å; S109-I113 WeakPolarHBondContact O-CD1 3.36Å; S109-I113 WeakPolarHBondContact O-CG1 3.18Å; S109-I113 PolarHBondContact O-N 2.85Å | ||
| 110 | L | 77.9 | Confident | 74 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 48% | 0.482 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | -168.7 | -66.5 | 169.9 | 0 | 0 | 0 | 112.6 | S108 I113 L114 | S108-L110 PolarHBondContact O-N 3.37Å; L110-I113 PolarHBondContact O-N 3.28Å; L110-L114 WeakPolarHBondContact O-CB 3.13Å; L110-L114 WeakPolarHBondContact O-CD1 3.4Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.25Å |
| 111 | F | 84.7 | Confident | 75.9 | Confident | 73 Ų | 73 | 54.2 Ų | 54.2 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.5 | -50.3 | -179.1 | -64.5 | -63.5 | 0 | 0 | 0 | 112.8 | V105 S109 I113 S115 I155 | V105-F111 HydrophobicContact CG1-CD2 3.63Å; V105-F111 HydrophobicContact CG1-CE2 3.58Å; S109-F111 VanDerWaalsContact C-N 3.33Å; S109-F111 PolarHBondContact O-N 3.18Å; F111-I113 PolarHBondContact O-N 2.93Å; F111-S115 WeakPolarHBondContact O-CB 3.37Å; F111-S115 PolarHBondContact O-N 3.41Å; F111-I155 HydrophobicContact CD1-CG2 4.29Å; F111-I155 HydrophobicContact CD2-CG2 4.25Å; F111-I155 HydrophobicContact CE2-CG2 4.46Å; F111-I155 HydrophobicContact CG-CG2 4.16Å |
| 112 | P | 85.2 | Confident | 77.7 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.4 | -46.6 | 167.2 | -28.7 | 35 | 0 | 0 | 0 | 113.9 | I28 L67 S109 S115 T116 | I28-P112 HydrophobicContact CD1-CB 3.58Å; I28-P112 HydrophobicContact CG1-CB 4.19Å; L67-P112 HydrophobicContact CD2-CB 4.41Å; S109-P112 VanDerWaalsContact O-CD 3.27Å; S109-P112 WeakPolarHBondContact O-CD 3.48Å; P112-S115 WeakPolarHBondContact O-CB 3.28Å; P112-S115 PolarHBondContact O-N 3.45Å; P112-S115 PolarHBondContact O-OG 3.33Å; P112-T116 WeakPolarHBondContact O-CG2 3.28Å; P112-T116 PolarHBondContact O-N 3.28Å |
| 113 | I | 87.4 | Confident | 79.3 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | -177.6 | -64 | 160.8 | 0 | 0 | 0 | 111.3 | W68 S108 S109 L110 F111 S115 T116 V117 | W68-I113 HydrophobicContact CH2-CD1 3.6Å; W68-I113 HydrophobicContact CZ2-CD1 3.83Å; W68-I113 HydrophobicContact CZ2-CG1 4.28Å; S108-I113 WeakPolarHBondContact O-CD1 3.46Å; S109-I113 VanDerWaalsContact O-CD1 3.32Å; S109-I113 WeakPolarHBondContact O-CD1 3.36Å; S109-I113 WeakPolarHBondContact O-CG1 3.18Å; S109-I113 PolarHBondContact O-N 2.85Å; L110-I113 PolarHBondContact O-N 3.28Å; F111-I113 PolarHBondContact O-N 2.93Å; I113-S115 VanDerWaalsContact C-N 3.26Å; I113-S115 PolarHBondContact O-N 3Å; I113-T116 WeakPolarHBondContact O-CB 3.5Å; I113-T116 PolarHBondContact O-N 2.96Å; I113-T116 PolarHBondContact O-OG1 3.09Å; I113-V117 PolarHBondContact O-N 2.89Å; I113-V117 VanDerWaalsContact O-N 3.16Å |
| 114 | L | 88.9 | Confident | 80.9 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 47% | 0.466 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 175.3 | -72 | 168.6 | 0 | 0 | 0 | 110.9 | L110 T116 V117 L118 | L110-L114 WeakPolarHBondContact O-CB 3.13Å; L110-L114 WeakPolarHBondContact O-CD1 3.4Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.25Å; L114-T116 VanDerWaalsContact C-N 3.3Å; L114-T116 PolarHBondContact O-N 3.5Å; L114-V117 PolarHBondContact O-N 2.88Å; L114-L118 WeakPolarHBondContact O-CB 3.42Å; L114-L118 VanDerWaalsContact O-CG 3.29Å; L114-L118 WeakPolarHBondContact O-CG 3.33Å; L114-L118 PolarHBondContact O-N 3.48Å |
| 115 | S | 91.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 174.1 | 86 | 0 | 0 | 0 | 0 | 112 | M24 F111 P112 I113 V117 L118 L119 A149 S152 | M24-S115 VanDerWaalsContact CE-OG 3.27Å; M24-S115 WeakPolarHBondContact CE-OG 3.46Å; F111-S115 WeakPolarHBondContact O-CB 3.37Å; F111-S115 PolarHBondContact O-N 3.41Å; P112-S115 WeakPolarHBondContact O-CB 3.28Å; P112-S115 PolarHBondContact O-N 3.45Å; P112-S115 PolarHBondContact O-OG 3.33Å; I113-S115 VanDerWaalsContact C-N 3.26Å; I113-S115 PolarHBondContact O-N 3Å; S115-V117 PolarHBondContact O-N 2.95Å; S115-L118 PolarHBondContact O-N 3.4Å; S115-L119 WeakPolarHBondContact O-CB 3.21Å; S115-L119 VanDerWaalsContact O-CG 3.26Å; S115-L119 WeakPolarHBondContact O-CG 3.46Å; S115-L119 PolarHBondContact O-N 2.91Å; S115-A149 WeakPolarHBondContact CB-O 3.42Å; S115-S152 VanDerWaalsContact CA-OG 3.29Å; S115-S152 WeakPolarHBondContact CA-OG 3.11Å; S115-S152 WeakPolarHBondContact CB-OG 3.37Å |
| 116 | T | 91.8 | Very high | 84.3 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.1 | 78 | 0 | 0 | 0 | 0 | 112.5 | M24 I28 P112 I113 L114 L119 M120 | M24-T116 HydrophobicContact CG-CG2 3.41Å; M24-T116 VanDerWaalsContact CG-CG2 3.41Å; M24-T116 HydrophobicContact SD-CG2 3.93Å; I28-T116 HydrophobicContact CD1-CG2 3.4Å; P112-T116 WeakPolarHBondContact O-CG2 3.28Å; P112-T116 PolarHBondContact O-N 3.28Å; I113-T116 WeakPolarHBondContact O-CB 3.5Å; I113-T116 PolarHBondContact O-N 2.96Å; I113-T116 PolarHBondContact O-OG1 3.09Å; L114-T116 VanDerWaalsContact C-N 3.3Å; L114-T116 PolarHBondContact O-N 3.5Å; T116-L119 PolarHBondContact O-N 3.01Å; T116-M120 WeakPolarHBondContact O-CB 3.29Å; T116-M120 PolarHBondContact O-N 2.9Å |
| 117 | V | 93.4 | Very high | 85.8 | Confident | 66 Ų | 66 | 43 Ų | 43 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.3 | -41.5 | 178.9 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | I113 L114 S115 M120 L121 | I113-V117 PolarHBondContact O-N 2.89Å; I113-V117 VanDerWaalsContact O-N 3.16Å; L114-V117 PolarHBondContact O-N 2.88Å; S115-V117 PolarHBondContact O-N 2.95Å; V117-M120 PolarHBondContact O-N 3.35Å; V117-L121 HydrophobicContact CG1-CD1 3.97Å; V117-L121 HydrophobicContact CG1-CG 4.47Å; V117-L121 WeakPolarHBondContact O-CB 3.47Å; V117-L121 VanDerWaalsContact O-CG 3.28Å; V117-L121 WeakPolarHBondContact O-CG 3.45Å; V117-L121 PolarHBondContact O-N 3.46Å |
| 118 | L | 93.4 | Very high | 87.4 | Confident | 44 Ų | 44 | 44.2 Ų | 44.2 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 174.9 | -67 | 170.4 | 0 | 0 | 0 | 112.2 | L114 S115 G122 L145 A148 A149 | L114-L118 WeakPolarHBondContact O-CB 3.42Å; L114-L118 VanDerWaalsContact O-CG 3.29Å; L114-L118 WeakPolarHBondContact O-CG 3.33Å; L114-L118 PolarHBondContact O-N 3.48Å; S115-L118 PolarHBondContact O-N 3.4Å; L118-G122 WeakPolarHBondContact O-CA 3.39Å; L118-G122 PolarHBondContact O-N 3.43Å; L118-L145 HydrophobicContact CD2-CD2 3.82Å; L118-A148 HydrophobicContact CD1-CB 4.48Å; L118-A149 HydrophobicContact CB-CB 3.56Å |
| 119 | L | 93.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 171 | -74.7 | 177.1 | 0 | 0 | 0 | 111.6 | A20 F21 M24 S115 T116 G122 G123 F146 A149 A196 | A20-L119 HydrophobicContact CB-CD2 4.48Å; F21-L119 HydrophobicContact CD2-CB 4.21Å; M24-L119 HydrophobicContact CB-CD1 3.9Å; M24-L119 HydrophobicContact CG-CD1 4.01Å; S115-L119 WeakPolarHBondContact O-CB 3.21Å; S115-L119 VanDerWaalsContact O-CG 3.26Å; S115-L119 WeakPolarHBondContact O-CG 3.46Å; S115-L119 PolarHBondContact O-N 2.91Å; T116-L119 PolarHBondContact O-N 3.01Å; L119-G122 PolarHBondContact O-N 2.81Å; L119-G123 PolarHBondContact O-N 3.47Å; L119-F146 HydrophobicContact CD2-CD1 3.86Å; L119-F146 HydrophobicContact CD2-CE1 3.22Å; L119-F146 HydrophobicContact CD2-CZ 3.77Å; L119-A149 HydrophobicContact CD2-CB 3.85Å; L119-A149 HydrophobicContact CG-CB 3.89Å; L119-A196 HydrophobicContact CD2-CB 3.96Å |
| 120 | M | 94.8 | Very high | 89.3 | Confident | 106 Ų | 106 | 48.7 Ų | 48.7 | 52% | 0.522 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 178.7 | -169.1 | -163.6 | -59.8 | 0 | 0 | 111.3 | F21 T116 V117 G123 L124 | F21-M120 HydrophobicContact CD2-CB 4.18Å; F21-M120 HydrophobicContact CE2-CB 3.82Å; F21-M120 HydrophobicContact CE2-CE 3.97Å; F21-M120 HydrophobicContact CE2-CG 4.25Å; F21-M120 HydrophobicContact CZ-CE 3.92Å; T116-M120 WeakPolarHBondContact O-CB 3.29Å; T116-M120 PolarHBondContact O-N 2.9Å; V117-M120 PolarHBondContact O-N 3.35Å; M120-G123 PolarHBondContact O-N 3.46Å; M120-L124 WeakPolarHBondContact O-CB 3.28Å; M120-L124 PolarHBondContact O-N 3.23Å |
| 121 | L | 93.5 | Very high | 89.5 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 42% | 0.419 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.5 | -70.1 | 171.5 | 0 | 0 | 0 | 111.6 | V117 L124 C125 L145 | V117-L121 HydrophobicContact CG1-CD1 3.97Å; V117-L121 HydrophobicContact CG1-CG 4.47Å; V117-L121 WeakPolarHBondContact O-CB 3.47Å; V117-L121 VanDerWaalsContact O-CG 3.28Å; V117-L121 WeakPolarHBondContact O-CG 3.45Å; V117-L121 PolarHBondContact O-N 3.46Å; L121-L124 PolarHBondContact O-N 2.95Å; L121-C125 WeakPolarHBondContact O-CB 3.39Å; L121-C125 PolarHBondContact O-N 3.5Å; L121-C125 PolarHBondContact O-SG 2.85Å; L121-L145 HydrophobicContact CB-CD1 4.48Å |
| 122 | G | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -50.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L118 L119 L124 C125 V126 | L118-G122 WeakPolarHBondContact O-CA 3.39Å; L118-G122 PolarHBondContact O-N 3.43Å; L119-G122 PolarHBondContact O-N 2.81Å; G122-L124 PolarHBondContact O-N 3.23Å; G122-C125 CarbonylContact O-C 3.55Å; G122-C125 PolarHBondContact O-N 3.27Å; G122-C125 VanDerWaalsContact O-N 3.14Å; G122-V126 WeakPolarHBondContact O-CG2 3.45Å; G122-V126 PolarHBondContact O-N 2.91Å |
| 123 | G | 91.9 | Very high | 88.5 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L119 M120 C125 V126 G127 | L119-G123 PolarHBondContact O-N 3.47Å; M120-G123 PolarHBondContact O-N 3.46Å; G123-C125 PolarHBondContact O-N 2.9Å; G123-V126 PolarHBondContact O-N 3.41Å; G123-G127 PolarHBondContact O-N 2.88Å |
| 124 | L | 91.4 | Very high | 87.4 | Confident | 108 Ų | 108 | 68.1 Ų | 68.1 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 172.8 | -176.2 | 66.2 | 0 | 0 | 0 | 111.3 | M120 L121 G122 V126 G127 V128 | M120-L124 WeakPolarHBondContact O-CB 3.28Å; M120-L124 PolarHBondContact O-N 3.23Å; L121-L124 PolarHBondContact O-N 2.95Å; G122-L124 PolarHBondContact O-N 3.23Å; L124-V126 PolarHBondContact O-N 3.49Å; L124-G127 PolarHBondContact O-N 2.87Å; L124-V128 HydrophobicContact CD1-CG2 4.25Å; L124-V128 HydrophobicContact CG-CG2 4.36Å; L124-V128 WeakPolarHBondContact O-CB 3.16Å; L124-V128 VanDerWaalsContact O-CG2 3.32Å; L124-V128 WeakPolarHBondContact O-CG2 3.44Å; L124-V128 PolarHBondContact O-N 3.3Å |
| 125 | C | 90.9 | Very high | 86.8 | Confident | 32 Ų | 32 | 70.8 Ų | 70.8 | 22% | 0.216 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -33.8 | 175.5 | -70.8 | 0 | 0 | 0 | 0 | 113.1 | L121 G122 G123 G129 I138 A142 | L121-C125 WeakPolarHBondContact O-CB 3.39Å; L121-C125 PolarHBondContact O-N 3.5Å; L121-C125 PolarHBondContact O-SG 2.85Å; G122-C125 CarbonylContact O-C 3.55Å; G122-C125 PolarHBondContact O-N 3.27Å; G122-C125 VanDerWaalsContact O-N 3.14Å; G123-C125 PolarHBondContact O-N 2.9Å; C125-G129 WeakPolarHBondContact O-CA 3.14Å; C125-G129 PolarHBondContact O-N 3Å; C125-I138 HydrophobicContact CB-CG2 4.35Å; C125-I138 WeakPolarHBondContact O-CG2 3.45Å; C125-A142 HydrophobicContact CB-CB 3.63Å |
| 126 | V | 89.3 | Confident | 86 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 171.1 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | I14 G122 G123 L124 G129 R130 A142 | I14-V126 HydrophobicContact CD1-CG1 4.38Å; I14-V126 HydrophobicContact CG1-CG1 3.59Å; G122-V126 WeakPolarHBondContact O-CG2 3.45Å; G122-V126 PolarHBondContact O-N 2.91Å; G123-V126 PolarHBondContact O-N 3.41Å; L124-V126 PolarHBondContact O-N 3.49Å; V126-G129 PolarHBondContact O-N 3.49Å; V126-R130 PolarHBondContact O-N 2.98Å; V126-A142 HydrophobicContact CG2-CB 3.82Å |
| 127 | G | 87.3 | Confident | 85.6 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 27% | 0.268 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -50 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G123 L124 G129 R130 L131 | G123-G127 PolarHBondContact O-N 2.88Å; L124-G127 PolarHBondContact O-N 2.87Å; G127-G129 VanDerWaalsContact C-N 3.31Å; G127-G129 PolarHBondContact O-N 3.22Å; G127-R130 WeakPolarHBondContact O-CB 3.45Å; G127-R130 PolarHBondContact O-N 3.42Å; G127-L131 PolarHBondContact O-N 3.04Å |
| 128 | V | 87.6 | Confident | 85.4 | Confident | 54 Ų | 54 | 75 Ų | 75 | 33% | 0.327 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | L124 R130 L131 Y132 I138 | L124-V128 HydrophobicContact CD1-CG2 4.25Å; L124-V128 HydrophobicContact CG-CG2 4.36Å; L124-V128 WeakPolarHBondContact O-CB 3.16Å; L124-V128 VanDerWaalsContact O-CG2 3.32Å; L124-V128 WeakPolarHBondContact O-CG2 3.44Å; L124-V128 PolarHBondContact O-N 3.3Å; V128-R130 VanDerWaalsContact C-N 3.29Å; V128-R130 PolarHBondContact O-N 3.48Å; V128-L131 PolarHBondContact O-N 2.88Å; V128-Y132 HydrophobicContact CG1-CD2 4.08Å; V128-Y132 WeakPolarHBondContact O-CB 3.27Å; V128-Y132 PolarHBondContact O-N 3.33Å; V128-I138 HydrophobicContact CG1-CD1 4.46Å |
| 129 | G | 84.5 | Confident | 85.1 | Confident | 13 Ų | 13 | 74 Ų | 74 | 13% | 0.134 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -28.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C125 V126 G127 | C125-G129 WeakPolarHBondContact O-CA 3.14Å; C125-G129 PolarHBondContact O-N 3Å; V126-G129 PolarHBondContact O-N 3.49Å; G127-G129 VanDerWaalsContact C-N 3.31Å; G127-G129 PolarHBondContact O-N 3.22Å |
| 130 | R | 83.3 | Confident | 84.9 | Confident | 121 Ų | 121 | 77 Ų | 77 | 46% | 0.457 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.2 | -44.5 | 170.8 | -176.7 | 175.8 | 179.4 | 166.1 | 1.4 | 111.6 | T10 L11 I14 V126 G127 V128 T133 | T10-R130 HydrophobicContact CG2-CG 4.37Å; L11-R130 VanDerWaalsContact CD2-NH1 3.26Å; I14-R130 HydrophobicContact CD1-CB 4.49Å; V126-R130 PolarHBondContact O-N 2.98Å; G127-R130 WeakPolarHBondContact O-CB 3.45Å; G127-R130 PolarHBondContact O-N 3.42Å; V128-R130 VanDerWaalsContact C-N 3.29Å; V128-R130 PolarHBondContact O-N 3.48Å; R130-T133 PolarHBondContact O-OG1 2.84Å |
| 131 | L | 81.9 | Confident | 84.7 | Confident | 139 Ų | 139 | 74.1 Ų | 74.1 | 73% | 0.728 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70.9 | -48.2 | 179.5 | -65.8 | 168.6 | 0 | 0 | 0 | 112.3 | G127 V128 T133 | G127-L131 PolarHBondContact O-N 3.04Å; V128-L131 PolarHBondContact O-N 2.88Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.08Å |
| 132 | Y | 78.1 | Confident | 84.6 | Confident | 161 Ų | 161 | 70.3 Ų | 70.3 | 63% | 0.631 | 35% | 0.354 | S | S | * | . | trans | -92.4 | 58.6 | -178.9 | -80.9 | -88.5 | 0 | 0 | 0 | 112.3 | V128 R134 K135 | V128-Y132 HydrophobicContact CG1-CD2 4.08Å; V128-Y132 WeakPolarHBondContact O-CB 3.27Å; V128-Y132 PolarHBondContact O-N 3.33Å; Y132-R134 PolarHBondContact O-N 3.35Å; Y132-K135 PolarHBondContact O-N 3.45Å; Y132-K135 VanDerWaalsContact O-N 3.09Å | ||
| 133 | T | 69.6 | Low | 84.6 | Confident | 87 Ų | 87 | 70.3 Ų | 70.3 | 53% | 0.534 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.4 | -175.1 | -33.2 | 0 | 0 | 0 | 0 | 114.2 | R130 L131 K210 | R130-T133 PolarHBondContact O-OG1 2.84Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.08Å; T133-K210 PolarHBondContact O-NZ 2.84Å |
| 134 | R | 64.6 | Low | 84.7 | Confident | 248 Ų | 248 | 74.1 Ų | 74.1 | 94% | 0.936 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -28.8 | 176.5 | -85.1 | -172.6 | 171.6 | -175.7 | -1.5 | 115.5 | Y132 | Y132-R134 PolarHBondContact O-N 3.35Š|
| 135 | K | 75.7 | Confident | 84.8 | Confident | 144 Ų | 144 | 71.1 Ų | 71.1 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | trans | -104.3 | 88.5 | -175.9 | -74.8 | -171.2 | 177.3 | -177.8 | 0 | 111.5 | Y132 N137 I138 | Y132-K135 PolarHBondContact O-N 3.45Å; Y132-K135 VanDerWaalsContact O-N 3.09Å; K135-N137 PolarHBondContact O-N 3.35Å; K135-N137 VanDerWaalsContact O-N 3.15Å; K135-I138 HydrophobicContact CB-CD1 3.71Å; K135-I138 HydrophobicContact CB-CG1 3.91Å; K135-I138 HydrophobicContact CD-CD1 4.25Å; K135-I138 PolarHBondContact O-N 3.14Å | ||
| 136 | N | 75.6 | Confident | 85 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -31.3 | 179.4 | -75.8 | 6.7 | 0 | 0 | 0 | 113.6 | I138 L139 Y207 K210 | N136-I138 PolarHBondContact O-N 2.85Å; N136-I138 VanDerWaalsContact O-N 3.17Å; N136-L139 PolarHBondContact O-N 2.85Å; N136-L139 VanDerWaalsContact O-N 3.15Å; N136-Y207 HydrophobicContact CB-CE2 4.11Å; N136-Y207 WeakPolarHBondContact O-CD2 3.42Å; N136-Y207 WeakPolarHBondContact O-CE2 3.29Å; N136-K210 WeakPolarHBondContact OD1-CD 3.4Å; N136-K210 WeakPolarHBondContact OD1-CE 3.33Å; N136-K210 PolarHBondContact OD1-NZ 2.97Å |
| 137 | N | 83.4 | Confident | 85.2 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.1 | -31.7 | 179.9 | -54.5 | 22.7 | 0 | 0 | 0 | 112.9 | K135 L139 L140 S141 | K135-N137 PolarHBondContact O-N 3.35Å; K135-N137 VanDerWaalsContact O-N 3.15Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 3.26Å; N137-L140 PolarHBondContact O-N 3.45Å; N137-S141 PolarHBondContact O-N 3.3Å; N137-S141 PolarHBondContact O-OG 2.95Å |
| 138 | I | 88.6 | Confident | 85.6 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | -178.6 | -59.6 | 176.6 | 0 | 0 | 0 | 111.2 | C125 V128 K135 N136 S141 A142 | C125-I138 HydrophobicContact CB-CG2 4.35Å; C125-I138 WeakPolarHBondContact O-CG2 3.45Å; V128-I138 HydrophobicContact CG1-CD1 4.46Å; K135-I138 HydrophobicContact CB-CD1 3.71Å; K135-I138 HydrophobicContact CB-CG1 3.91Å; K135-I138 HydrophobicContact CD-CD1 4.25Å; K135-I138 PolarHBondContact O-N 3.14Å; N136-I138 PolarHBondContact O-N 2.85Å; N136-I138 VanDerWaalsContact O-N 3.17Å; I138-S141 WeakPolarHBondContact CA-OG 3.49Å; I138-S141 PolarHBondContact O-OG 3.47Å; I138-A142 WeakPolarHBondContact O-CB 3.45Å; I138-A142 PolarHBondContact O-N 2.93Å |
| 139 | L | 88.3 | Confident | 85.9 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74.8 | -33.1 | 179.5 | -173.7 | 63.5 | 0 | 0 | 0 | 111.9 | N136 N137 A142 G143 A203 I206 Y207 | N136-L139 PolarHBondContact O-N 2.85Å; N136-L139 VanDerWaalsContact O-N 3.15Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 3.26Å; L139-A142 PolarHBondContact O-N 3.23Å; L139-G143 PolarHBondContact O-N 3.4Å; L139-A203 HydrophobicContact CD1-CB 4.26Å; L139-I206 HydrophobicContact CD2-CB 4.18Å; L139-I206 HydrophobicContact CD2-CG2 3.78Å; L139-Y207 HydrophobicContact CB-CD2 4.46Å |
| 140 | L | 89.2 | Confident | 86.3 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 171.6 | 172.7 | 144.7 | 0 | 0 | 0 | 111.2 | N137 A142 G143 I144 Y207 | N137-L140 PolarHBondContact O-N 3.45Å; L140-A142 VanDerWaalsContact C-N 3.32Å; L140-A142 PolarHBondContact O-N 3.13Å; L140-G143 PolarHBondContact O-N 3.47Å; L140-I144 HydrophobicContact CD2-CD1 3.6Å; L140-I144 HydrophobicContact CG-CD1 4.04Å; L140-I144 WeakPolarHBondContact O-CG1 3.28Å; L140-I144 PolarHBondContact O-N 2.71Å; L140-Y207 HydrophobicContact CB-CD1 4.29Å; L140-Y207 HydrophobicContact CB-CD2 3.85Å; L140-Y207 HydrophobicContact CB-CE1 4.2Å; L140-Y207 HydrophobicContact CB-CE2 3.74Å; L140-Y207 HydrophobicContact CB-CG 4.13Å; L140-Y207 HydrophobicContact CD1-CD1 4.2Å; L140-Y207 HydrophobicContact CD1-CE1 3.54Å; L140-Y207 HydrophobicContact CD1-CE2 4.31Å; L140-Y207 HydrophobicContact CG-CE1 4.46Å |
| 141 | S | 90.9 | Very high | 86.8 | Confident | 45 Ų | 45 | 68 Ų | 68 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 174.4 | 53 | 0 | 0 | 0 | 0 | 112.1 | N137 I138 I144 L145 | N137-S141 PolarHBondContact O-N 3.3Å; N137-S141 PolarHBondContact O-OG 2.95Å; I138-S141 WeakPolarHBondContact CA-OG 3.49Å; I138-S141 PolarHBondContact O-OG 3.47Å; S141-I144 PolarHBondContact O-N 2.71Å; S141-L145 WeakPolarHBondContact O-CB 3.25Å; S141-L145 VanDerWaalsContact O-CG 3.25Å; S141-L145 WeakPolarHBondContact O-CG 3.47Å; S141-L145 PolarHBondContact O-N 2.89Å |
| 142 | A | 91.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C125 V126 I138 L139 L140 L145 F146 | C125-A142 HydrophobicContact CB-CB 3.63Å; V126-A142 HydrophobicContact CG2-CB 3.82Å; I138-A142 WeakPolarHBondContact O-CB 3.45Å; I138-A142 PolarHBondContact O-N 2.93Å; L139-A142 PolarHBondContact O-N 3.23Å; L140-A142 VanDerWaalsContact C-N 3.32Å; L140-A142 PolarHBondContact O-N 3.13Å; A142-L145 PolarHBondContact O-N 3.19Å; A142-F146 PolarHBondContact O-N 2.82Å |
| 143 | G | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L139 L140 F146 V147 | L139-G143 PolarHBondContact O-N 3.4Å; L140-G143 PolarHBondContact O-N 3.47Å; G143-F146 WeakPolarHBondContact O-CB 3.24Å; G143-F146 PolarHBondContact O-N 3.23Å; G143-V147 PolarHBondContact O-N 3.41Å; G143-V147 VanDerWaalsContact O-N 3.08Å |
| 144 | I | 93.9 | Very high | 89 | Confident | 104 Ų | 104 | 53 Ų | 53 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 176.9 | -66.8 | 169.4 | 0 | 0 | 0 | 111.2 | L140 S141 F146 V147 A148 | L140-I144 HydrophobicContact CD2-CD1 3.6Å; L140-I144 HydrophobicContact CG-CD1 4.04Å; L140-I144 WeakPolarHBondContact O-CG1 3.28Å; L140-I144 PolarHBondContact O-N 2.71Å; S141-I144 PolarHBondContact O-N 2.71Å; I144-F146 VanDerWaalsContact C-N 3.28Å; I144-F146 PolarHBondContact O-N 3.16Å; I144-V147 PolarHBondContact O-N 3.43Å; I144-A148 VanDerWaalsContact O-CB 3.28Å; I144-A148 WeakPolarHBondContact O-CB 3.43Å; I144-A148 PolarHBondContact O-N 3.02Å |
| 145 | L | 93.9 | Very high | 90.2 | Very high | 46 Ų | 46 | 45 Ų | 45 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -36.2 | 174.2 | -73.1 | 169.8 | 0 | 0 | 0 | 111.8 | L118 L121 S141 A142 A149 | L118-L145 HydrophobicContact CD2-CD2 3.82Å; L121-L145 HydrophobicContact CB-CD1 4.48Å; S141-L145 WeakPolarHBondContact O-CB 3.25Å; S141-L145 VanDerWaalsContact O-CG 3.25Å; S141-L145 WeakPolarHBondContact O-CG 3.47Å; S141-L145 PolarHBondContact O-N 2.89Å; A142-L145 PolarHBondContact O-N 3.19Å; L145-A149 WeakPolarHBondContact O-CB 3.4Å; L145-A149 PolarHBondContact O-N 3.06Å |
| 146 | F | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -47.4 | 177 | -124.1 | -63.6 | 0 | 0 | 0 | 112.9 | A17 A20 L119 A142 G143 I144 A149 G150 A196 V199 | A17-F146 HydrophobicContact CB-CE2 3.72Å; A17-F146 HydrophobicContact CB-CZ 3.86Å; A20-F146 HydrophobicContact CB-CE1 4.43Å; L119-F146 HydrophobicContact CD2-CD1 3.86Å; L119-F146 HydrophobicContact CD2-CE1 3.22Å; L119-F146 HydrophobicContact CD2-CZ 3.77Å; A142-F146 PolarHBondContact O-N 2.82Å; G143-F146 WeakPolarHBondContact O-CB 3.24Å; G143-F146 PolarHBondContact O-N 3.23Å; I144-F146 VanDerWaalsContact C-N 3.28Å; I144-F146 PolarHBondContact O-N 3.16Å; F146-A149 WeakPolarHBondContact O-CB 3.31Å; F146-A149 PolarHBondContact O-N 2.9Å; F146-G150 PolarHBondContact O-N 3.46Å; F146-A196 HydrophobicContact CD1-CB 3.77Å; F146-A196 WeakPolarHBondContact CD1-O 3.18Å; F146-A196 VanDerWaalsContact CE1-CA 3.47Å; F146-A196 HydrophobicContact CE1-CB 3.55Å; F146-V199 HydrophobicContact CD2-CG1 3.88Å; F146-V199 HydrophobicContact CE1-CB 4.29Å; F146-V199 HydrophobicContact CE1-CG1 4.3Å; F146-V199 HydrophobicContact CE2-CB 4.41Å; F146-V199 HydrophobicContact CE2-CG1 3.57Å; F146-V199 HydrophobicContact CG-CG1 4.39Å; F146-V199 HydrophobicContact CZ-CB 4.25Å; F146-V199 HydrophobicContact CZ-CG1 3.83Å |
| 147 | V | 94.6 | Very high | 91.1 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 29% | 0.285 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 177 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | G143 I144 A149 G150 L151 | G143-V147 PolarHBondContact O-N 3.41Å; G143-V147 VanDerWaalsContact O-N 3.08Å; I144-V147 PolarHBondContact O-N 3.43Å; V147-A149 VanDerWaalsContact C-N 3.3Å; V147-A149 PolarHBondContact O-N 3.37Å; V147-G150 PolarHBondContact O-N 2.97Å; V147-L151 HydrophobicContact CG1-CD1 3.99Å; V147-L151 HydrophobicContact CG1-CG 4.29Å; V147-L151 WeakPolarHBondContact O-CB 3.28Å; V147-L151 VanDerWaalsContact O-CG 3.28Å; V147-L151 WeakPolarHBondContact O-CG 3.4Å; V147-L151 PolarHBondContact O-N 3.38Å |
| 148 | A | 94.6 | Very high | 91.3 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 33% | 0.331 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.5 | -38.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L118 I144 S152 | L118-A148 HydrophobicContact CD1-CB 4.48Å; I144-A148 VanDerWaalsContact O-CB 3.28Å; I144-A148 WeakPolarHBondContact O-CB 3.43Å; I144-A148 PolarHBondContact O-N 3.02Å; A148-S152 WeakPolarHBondContact O-CB 3.05Å; A148-S152 PolarHBondContact O-N 3.21Å; A148-S152 PolarHBondContact O-OG 3.21Å |
| 149 | A | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -49.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S115 L118 L119 L145 F146 V147 L151 S152 N153 | S115-A149 WeakPolarHBondContact CB-O 3.42Å; L118-A149 HydrophobicContact CB-CB 3.56Å; L119-A149 HydrophobicContact CD2-CB 3.85Å; L119-A149 HydrophobicContact CG-CB 3.89Å; L145-A149 WeakPolarHBondContact O-CB 3.4Å; L145-A149 PolarHBondContact O-N 3.06Å; F146-A149 WeakPolarHBondContact O-CB 3.31Å; F146-A149 PolarHBondContact O-N 2.9Å; V147-A149 VanDerWaalsContact C-N 3.3Å; V147-A149 PolarHBondContact O-N 3.37Å; A149-L151 PolarHBondContact O-N 2.65Å; A149-S152 WeakPolarHBondContact CA-OG 3.28Å; A149-S152 PolarHBondContact O-N 2.62Å; A149-S152 PolarHBondContact O-OG 3.05Å; A149-N153 PolarHBondContact O-N 3.15Å |
| 150 | G | 93.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -48.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F146 V147 S152 N153 I154 F193 E197 | F146-G150 PolarHBondContact O-N 3.46Å; V147-G150 PolarHBondContact O-N 2.97Å; G150-S152 PolarHBondContact O-N 2.91Å; G150-N153 WeakPolarHBondContact O-CB 3.33Å; G150-N153 PolarHBondContact O-N 3.48Å; G150-N153 VanDerWaalsContact O-N 3.17Å; G150-I154 PolarHBondContact O-N 2.88Å; G150-F193 VanDerWaalsContact O-CD2 3.28Å; G150-F193 WeakPolarHBondContact O-CD2 3.41Å; G150-F193 WeakPolarHBondContact O-CE2 3.49Å; G150-E197 WeakPolarHBondContact CA-OE1 3.27Å |
| 151 | L | 92.9 | Very high | 90 | Very high | 97 Ų | 97 | 35.2 Ų | 35.2 | 51% | 0.508 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 174.7 | -69.3 | 173.9 | 0 | 0 | 0 | 112.7 | V147 A149 I154 I155 | V147-L151 HydrophobicContact CG1-CD1 3.99Å; V147-L151 HydrophobicContact CG1-CG 4.29Å; V147-L151 WeakPolarHBondContact O-CB 3.28Å; V147-L151 VanDerWaalsContact O-CG 3.28Å; V147-L151 WeakPolarHBondContact O-CG 3.4Å; V147-L151 PolarHBondContact O-N 3.38Å; A149-L151 PolarHBondContact O-N 2.65Å; L151-I154 WeakPolarHBondContact O-CG2 3.14Å; L151-I155 WeakPolarHBondContact O-CD1 3.08Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.32Å; L151-I155 PolarHBondContact O-N 2.74Å |
| 152 | S | 92.1 | Very high | 89.3 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 12% | 0.119 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.7 | -33.9 | 175.2 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | S115 A148 A149 G150 G156 | S115-S152 VanDerWaalsContact CA-OG 3.29Å; S115-S152 WeakPolarHBondContact CA-OG 3.11Å; S115-S152 WeakPolarHBondContact CB-OG 3.37Å; A148-S152 WeakPolarHBondContact O-CB 3.05Å; A148-S152 PolarHBondContact O-N 3.21Å; A148-S152 PolarHBondContact O-OG 3.21Å; A149-S152 WeakPolarHBondContact CA-OG 3.28Å; A149-S152 PolarHBondContact O-N 2.62Å; A149-S152 PolarHBondContact O-OG 3.05Å; G150-S152 PolarHBondContact O-N 2.91Å; S152-G156 PolarHBondContact O-N 2.76Å; S152-G156 VanDerWaalsContact O-N 3.1Å |
| 153 | N | 91.7 | Very high | 88 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.2 | -51.5 | 174.7 | -178.6 | 12.3 | 0 | 0 | 0 | 111.4 | M24 A149 G150 I155 G156 I157 G189 S192 | M24-N153 HydrophobicContact CE-CB 4.01Å; M24-N153 WeakPolarHBondContact CE-ND2 3.5Å; M24-N153 WeakPolarHBondContact CE-OD1 3.24Å; A149-N153 PolarHBondContact O-N 3.15Å; G150-N153 WeakPolarHBondContact O-CB 3.33Å; G150-N153 PolarHBondContact O-N 3.48Å; G150-N153 VanDerWaalsContact O-N 3.17Å; N153-I155 VanDerWaalsContact C-N 3.29Å; N153-I155 PolarHBondContact O-N 2.64Å; N153-G156 CarbonylContact O-C 3.17Å; N153-G156 WeakPolarHBondContact O-CA 3.45Å; N153-G156 PolarHBondContact O-N 3.29Å; N153-I157 PolarHBondContact O-N 3.41Å; N153-I157 WeakPolarHBondContact OD1-CD1 3.49Å; N153-G189 PolarHBondContact ND2-O 2.92Å; N153-S192 PolarHBondContact ND2-OG 3.39Å |
| 154 | I | 91.9 | Very high | 86.8 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64 | -33.8 | -178.2 | -168.7 | 61.4 | 0 | 0 | 0 | 112.2 | G150 L151 I157 I158 F193 | G150-I154 PolarHBondContact O-N 2.88Å; L151-I154 WeakPolarHBondContact O-CG2 3.14Å; I154-I157 HydrophobicContact CD1-CB 4.47Å; I154-I157 HydrophobicContact CD1-CG2 4.49Å; I154-I157 PolarHBondContact O-N 2.94Å; I154-I158 HydrophobicContact CG1-CD1 4.08Å; I154-I158 WeakPolarHBondContact O-CB 3.32Å; I154-I158 WeakPolarHBondContact O-CD1 3.21Å; I154-I158 WeakPolarHBondContact O-CG1 3.43Å; I154-I158 PolarHBondContact O-N 3.21Å; I154-F193 HydrophobicContact CB-CD2 4.24Å; I154-F193 HydrophobicContact CB-CE2 4.02Å; I154-F193 HydrophobicContact CB-CZ 4.25Å; I154-F193 HydrophobicContact CG2-CE2 4.11Å; I154-F193 HydrophobicContact CG2-CZ 4.43Å |
| 155 | I | 89.5 | Confident | 85.2 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 41% | 0.41 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 169.6 | -69.6 | 166.6 | 0 | 0 | 0 | 110.9 | F111 L151 N153 I157 I158 V159 | F111-I155 HydrophobicContact CD1-CG2 4.29Å; F111-I155 HydrophobicContact CD2-CG2 4.25Å; F111-I155 HydrophobicContact CE2-CG2 4.46Å; F111-I155 HydrophobicContact CG-CG2 4.16Å; L151-I155 WeakPolarHBondContact O-CD1 3.08Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.32Å; L151-I155 PolarHBondContact O-N 2.74Å; N153-I155 VanDerWaalsContact C-N 3.29Å; N153-I155 PolarHBondContact O-N 2.64Å; I155-I157 PolarHBondContact O-N 2.89Å; I155-I158 PolarHBondContact O-N 3.11Å; I155-V159 WeakPolarHBondContact O-CG2 3.21Å; I155-V159 PolarHBondContact O-N 2.91Å |
| 156 | G | 86.1 | Confident | 83.2 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S152 N153 V159 Y160 | S152-G156 PolarHBondContact O-N 2.76Å; S152-G156 VanDerWaalsContact O-N 3.1Å; N153-G156 CarbonylContact O-C 3.17Å; N153-G156 WeakPolarHBondContact O-CA 3.45Å; N153-G156 PolarHBondContact O-N 3.29Å; G156-V159 PolarHBondContact O-N 3.24Å; G156-Y160 WeakPolarHBondContact O-CB 3.39Å; G156-Y160 PolarHBondContact O-N 3.43Å |
| 157 | I | 85.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.8 | -69.7 | 170.9 | 0 | 0 | 0 | 111 | N153 I154 I155 Y160 I161 F186 | N153-I157 PolarHBondContact O-N 3.41Å; N153-I157 WeakPolarHBondContact OD1-CD1 3.49Å; I154-I157 HydrophobicContact CD1-CB 4.47Å; I154-I157 HydrophobicContact CD1-CG2 4.49Å; I154-I157 PolarHBondContact O-N 2.94Å; I155-I157 PolarHBondContact O-N 2.89Å; I157-Y160 PolarHBondContact O-N 3.41Å; I157-I161 HydrophobicContact CG2-CD1 3.98Å; I157-I161 WeakPolarHBondContact O-CG1 3.47Å; I157-I161 PolarHBondContact O-N 3.43Å; I157-F186 HydrophobicContact CG2-CE2 3.89Å; I157-F186 HydrophobicContact CG2-CZ 3.95Å |
| 158 | I | 86.6 | Confident | 78.5 | Confident | 98 Ų | 98 | 44.8 Ų | 44.8 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 178.8 | -71.2 | 164.3 | 0 | 0 | 0 | 111.2 | I154 I155 Y160 I161 S162 | I154-I158 HydrophobicContact CG1-CD1 4.08Å; I154-I158 WeakPolarHBondContact O-CB 3.32Å; I154-I158 WeakPolarHBondContact O-CD1 3.21Å; I154-I158 WeakPolarHBondContact O-CG1 3.43Å; I154-I158 PolarHBondContact O-N 3.21Å; I155-I158 PolarHBondContact O-N 3.11Å; I158-Y160 VanDerWaalsContact C-N 3.35Å; I158-I161 PolarHBondContact O-N 3.1Å; I158-S162 PolarHBondContact O-N 3.21Å; I158-S162 PolarHBondContact O-OG 2.67Å |
| 159 | V | 81.3 | Confident | 76.1 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69 | -33.4 | 177.5 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | L102 V105 I155 G156 S162 S163 | L102-V159 HydrophobicContact CD2-CG1 3.92Å; V105-V159 HydrophobicContact CB-CG1 4.24Å; V105-V159 HydrophobicContact CG1-CB 4.44Å; V105-V159 HydrophobicContact CG1-CG1 3.68Å; I155-V159 WeakPolarHBondContact O-CG2 3.21Å; I155-V159 PolarHBondContact O-N 2.91Å; G156-V159 PolarHBondContact O-N 3.24Å; V159-S162 WeakPolarHBondContact CA-OG 3.5Å; V159-S162 PolarHBondContact O-OG 3.46Å; V159-S163 WeakPolarHBondContact O-CB 3.45Å; V159-S163 PolarHBondContact O-N 3.2Å; V159-S163 PolarHBondContact O-OG 3.28Å |
| 160 | Y | 78.5 | Confident | 73.7 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 171.1 | -174.9 | -89 | 0 | 0 | 0 | 111.5 | W33 L34 L67 G156 I157 I158 S163 N164 F186 | W33-Y160 WeakPolarHBondContact CB-OH 3.26Å; W33-Y160 HydrophobicContact CD2-CE2 4.34Å; W33-Y160 AromaticContact CE3-CD1 3.87Å; W33-Y160 HydrophobicContact CE3-CD1 3.87Å; W33-Y160 AromaticContact CE3-CD2 3.77Å; W33-Y160 HydrophobicContact CE3-CD2 3.77Å; W33-Y160 AromaticContact CE3-CE1 3.8Å; W33-Y160 HydrophobicContact CE3-CE1 3.8Å; W33-Y160 AromaticContact CE3-CE2 3.69Å; W33-Y160 HydrophobicContact CE3-CE2 3.69Å; W33-Y160 AromaticContact CE3-CG 3.86Å; W33-Y160 HydrophobicContact CE3-CG 3.86Å; W33-Y160 AromaticContact CE3-CZ 3.72Å; W33-Y160 HydrophobicContact CZ3-CD1 4.18Å; W33-Y160 AromaticContact CZ3-CD2 3.95Å; W33-Y160 HydrophobicContact CZ3-CD2 3.95Å; W33-Y160 HydrophobicContact CZ3-CE2 4.34Å; W33-Y160 AromaticContact CZ3-CG 3.87Å; W33-Y160 HydrophobicContact CZ3-CG 3.87Å; L34-Y160 WeakPolarHBondContact CB-OH 3.03Å; L34-Y160 HydrophobicContact CD1-CE1 3.99Å; L67-Y160 HydrophobicContact CD1-CD2 3.98Å; L67-Y160 HydrophobicContact CD1-CE2 4.12Å; G156-Y160 WeakPolarHBondContact O-CB 3.39Å; G156-Y160 PolarHBondContact O-N 3.43Å; I157-Y160 PolarHBondContact O-N 3.41Å; I158-Y160 VanDerWaalsContact C-N 3.35Å; Y160-S163 PolarHBondContact O-OG 2.91Å; Y160-N164 VanDerWaalsContact CE1-ND2 3.3Å; Y160-N164 WeakPolarHBondContact CE1-ND2 3.36Å; Y160-N164 PolarHBondContact O-N 3.2Å; Y160-N164 PolarHBondContact O-ND2 3.49Å; Y160-F186 HydrophobicContact CD1-CD2 4.37Å; Y160-F186 HydrophobicContact CD1-CE2 4.31Å |
| 161 | I | 79.7 | Confident | 71.4 | Confident | 61 Ų | 61 | 62 Ų | 62 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.4 | -47.7 | 176.4 | -62.4 | 160.8 | 0 | 0 | 0 | 111 | I157 I158 S163 N164 A165 Y182 F186 | I157-I161 HydrophobicContact CG2-CD1 3.98Å; I157-I161 WeakPolarHBondContact O-CG1 3.47Å; I157-I161 PolarHBondContact O-N 3.43Å; I158-I161 PolarHBondContact O-N 3.1Å; I161-S163 PolarHBondContact O-N 3.26Å; I161-N164 CarbonylContact O-C 3.59Å; I161-N164 WeakPolarHBondContact O-CA 3.41Å; I161-N164 WeakPolarHBondContact O-CB 3.33Å; I161-N164 PolarHBondContact O-N 3.41Å; I161-A165 PolarHBondContact O-N 2.96Å; I161-Y182 HydrophobicContact CG1-CE1 4.41Å; I161-F186 HydrophobicContact CD1-CE2 4.47Å; I161-F186 HydrophobicContact CD1-CZ 4.06Å; I161-F186 HydrophobicContact CG1-CE2 4.22Å; I161-F186 HydrophobicContact CG1-CZ 4.19Å |
| 162 | S | 75.6 | Confident | 69.1 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | -175.2 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | I158 V159 N164 A165 G166 | I158-S162 PolarHBondContact O-N 3.21Å; I158-S162 PolarHBondContact O-OG 2.67Å; V159-S162 WeakPolarHBondContact CA-OG 3.5Å; V159-S162 PolarHBondContact O-OG 3.46Å; S162-N164 PolarHBondContact O-N 3.27Å; S162-A165 PolarHBondContact O-N 3.4Å; S162-G166 PolarHBondContact O-N 3.34Å |
| 163 | S | 66.4 | Low | 66.7 | Low | 26 Ų | 26 | 72 Ų | 72 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6.1 | 173.7 | 64.4 | 0 | 0 | 0 | 0 | 114.4 | R106 V159 Y160 I161 | R106-S163 PolarHBondContact NH1-O 2.79Å; R106-S163 PolarHBondContact NH1-OG 3.35Å; V159-S163 WeakPolarHBondContact O-CB 3.45Å; V159-S163 PolarHBondContact O-N 3.2Å; V159-S163 PolarHBondContact O-OG 3.28Å; Y160-S163 PolarHBondContact O-OG 2.91Å; I161-S163 PolarHBondContact O-N 3.26Å |
| 164 | N | 65.1 | Low | 64.2 | Low | 31 Ų | 31 | 79.3 Ų | 79.3 | 17% | 0.166 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -5.8 | 169.2 | -81.8 | -58.4 | 0 | 0 | 0 | 112.9 | R106 Y160 I161 S162 Y180 | R106-N164 PolarHBondContact NH1-ND2 2.87Å; R106-N164 PolarHBondContact NH1-OD1 2.85Å; R106-N164 PolarHBondContact NH2-ND2 3.41Å; R106-N164 PolarHBondContact NH2-OD1 3.44Å; Y160-N164 VanDerWaalsContact CE1-ND2 3.3Å; Y160-N164 WeakPolarHBondContact CE1-ND2 3.36Å; Y160-N164 PolarHBondContact O-N 3.2Å; Y160-N164 PolarHBondContact O-ND2 3.49Å; I161-N164 CarbonylContact O-C 3.59Å; I161-N164 WeakPolarHBondContact O-CA 3.41Å; I161-N164 WeakPolarHBondContact O-CB 3.33Å; I161-N164 PolarHBondContact O-N 3.41Å; S162-N164 PolarHBondContact O-N 3.27Å; N164-Y180 HydrophobicContact CB-CD1 4.47Å; N164-Y180 HydrophobicContact CB-CE1 3.87Å |
| 165 | A | 61.3 | Low | 61.8 | Low | 77 Ų | 77 | 84.3 Ų | 84.3 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -113.4 | 16.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I161 S162 D167 | I161-A165 PolarHBondContact O-N 2.96Å; S162-A165 PolarHBondContact O-N 3.4Å; A165-D167 PolarHBondContact O-N 3.03Å |
| 166 | G | 51.6 | Low | 59.7 | Low | 39 Ų | 39 | 88.6 Ų | 88.6 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | trans | -73.3 | -16.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S162 P168 | S162-G166 PolarHBondContact O-N 3.34Å; G166-P168 WeakPolarHBondContact O-CD 3.14Å | ||
| 167 | D | 44.2 | Very low | 58.1 | Low | 134 Ų | 134 | 97.7 Ų | 97.7 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | trans | -100.6 | 95.8 | -173.8 | -59.4 | -50.1 | 0 | 0 | 0 | 112.5 | A165 | A165-D167 PolarHBondContact O-N 3.03Š| ||
| 168 | P | 46.5 | Very low | 56.5 | Low | 87 Ų | 87 | 103.3 Ų | 103.3 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | trans | -87.6 | -5.6 | 170.8 | 36 | -38.6 | 0 | 0 | 0 | 113.8 | G166 | G166-P168 WeakPolarHBondContact O-CD 3.14Š| ||
| 169 | S | 44.3 | Very low | 54.9 | Low | 85 Ų | 85 | 106.5 Ų | 106.5 | 59% | 0.594 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -46.6 | -168.2 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | K171 | S169-K171 PolarHBondContact O-N 3.15Š|
| 170 | D | 44.1 | Very low | 54.1 | Low | 144 Ų | 144 | 109.6 Ų | 109.6 | 77% | 0.77 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 35.7 | -164.3 | -67.8 | 22.8 | 0 | 0 | 0 | 112.5 | K172 | D170-K172 PolarHBondContact O-N 2.04Å; D170-K172 VanDerWaalsContact O-N 3.09Å |
| 171 | K | 44.6 | Very low | 54 | Low | 174 Ų | 174 | 113.6 Ų | 113.6 | 76% | 0.757 | 59% | 0.593 | S | S | * | * | trans | -83.2 | 34.4 | 175.8 | -70.6 | 177.4 | -175.7 | 164.5 | 0 | 113.1 | S169 | S169-K171 PolarHBondContact O-N 3.15Š| ||
| 172 | K | 44.4 | Very low | 54.2 | Low | 187 Ų | 187 | 114 Ų | 114 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -144.1 | 76.5 | 163.8 | -79 | -169.1 | 173.5 | -176.9 | 0 | 109.1 | D170 | D170-K172 PolarHBondContact O-N 2.04Å; D170-K172 VanDerWaalsContact O-N 3.09Å |
| 173 | D | 41.8 | Very low | 54.6 | Low | 139 Ų | 139 | 111.7 Ų | 111.7 | 74% | 0.743 | 58% | 0.575 | S | S | * | * | S | Bend | 175.4 | 117.1 | 113.4 | -82.9 | -3.3 | 0 | 0 | 0 | 111.3 | |||
| 174 | E | 39.8 | Very low | 55.6 | Low | 156 Ų | 156 | 119 Ų | 119 | 73% | 0.729 | 60% | 0.599 | S | S | * | * | trans | 53 | 98.5 | 149.6 | -48.2 | -48.2 | 89.4 | 0 | 0 | 120.6 | K176 | E174-K176 VanDerWaalsContact C-N 3.3Å; E174-K176 PolarHBondContact O-N 3.05Å | ||
| 175 | D | 41.1 | Very low | 56.8 | Low | 156 Ų | 156 | 117.6 Ų | 117.6 | 83% | 0.834 | 59% | 0.592 | S | S | * | * | S | Bend | trans | 60.8 | 16.3 | 132.6 | -79.9 | 3.2 | 0 | 0 | 0 | 120.4 | ||
| 176 | K | 46.4 | Very low | 58 | Low | 171 Ų | 171 | 115 Ų | 115 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | trans | -120 | 70.4 | 160.6 | -66.9 | -169.3 | -178.7 | -177.7 | 0 | 112.4 | E174 N178 | E174-K176 VanDerWaalsContact C-N 3.3Å; E174-K176 PolarHBondContact O-N 3.05Å; K176-N178 VanDerWaalsContact C-N 3.3Å; K176-N178 PolarHBondContact O-N 3.46Å | ||
| 177 | K | 50.8 | Low | 59.9 | Low | 195 Ų | 195 | 119 Ų | 119 | 85% | 0.848 | 57% | 0.57 | S | S | * | * | trans | -53.8 | 97.1 | 154.1 | -67.8 | 174.9 | -176.9 | 169.2 | 0 | 108.1 | Q179 | K177-Q179 PolarHBondContact O-N 3.37Š| ||
| 178 | N | 52.9 | Low | 62.3 | Low | 129 Ų | 129 | 116.6 Ų | 116.6 | 69% | 0.69 | 55% | 0.553 | S | S | * | * | trans | -58.6 | 109.5 | 175.3 | -78.5 | -34.1 | 0 | 0 | 0 | 107.9 | K176 Y180 | K176-N178 VanDerWaalsContact C-N 3.3Å; K176-N178 PolarHBondContact O-N 3.46Å; N178-Y180 VanDerWaalsContact C-N 3.33Å; N178-Y180 PolarHBondContact O-N 3.36Å | ||
| 179 | Q | 53.1 | Low | 64.4 | Low | 164 Ų | 164 | 112.5 Ų | 112.5 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | trans | -68.2 | 94.3 | -178.4 | -74.4 | -179 | -27.3 | 0 | 0 | 108.9 | K177 N181 | K177-Q179 PolarHBondContact O-N 3.37Å; Q179-N181 PolarHBondContact O-N 2.98Å; Q179-N181 PolarHBondContact O-ND2 2.81Å | ||
| 180 | Y | 64.6 | Low | 66.7 | Low | 89 Ų | 89 | 110 Ų | 110 | 35% | 0.349 | 51% | 0.511 | S | S | . | . | trans | -67.4 | 97.1 | 177.3 | -120.9 | -132.8 | 0 | 0 | 0 | 108.6 | L34 N164 N178 | L34-Y180 HydrophobicContact CD1-CD1 3.58Å; L34-Y180 HydrophobicContact CD1-CE1 3.47Å; L34-Y180 VanDerWaalsContact CD1-CE1 3.47Å; L34-Y180 HydrophobicContact CD2-CD1 3.76Å; L34-Y180 HydrophobicContact CD2-CD2 4.31Å; L34-Y180 HydrophobicContact CD2-CE1 3.39Å; L34-Y180 HydrophobicContact CD2-CE2 3.99Å; L34-Y180 HydrophobicContact CD2-CG 4.18Å; L34-Y180 HydrophobicContact CG-CD1 4.1Å; L34-Y180 HydrophobicContact CG-CE1 4.02Å; N164-Y180 HydrophobicContact CB-CD1 4.47Å; N164-Y180 HydrophobicContact CB-CE1 3.87Å; N178-Y180 VanDerWaalsContact C-N 3.33Å; N178-Y180 PolarHBondContact O-N 3.36Å | ||
| 181 | N | 76.8 | Confident | 69 | Low | 92 Ų | 92 | 107 Ų | 107 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 110 | -175.3 | -70.4 | -44.5 | 0 | 0 | 0 | 108.8 | Y35 Q179 | Y35-N181 WeakPolarHBondContact CB-O 3.44Å; Y35-N181 PolarHBondContact N-O 3.2Å; Q179-N181 PolarHBondContact O-N 2.98Å; Q179-N181 PolarHBondContact O-ND2 2.81Å |
| 182 | Y | 82.3 | Confident | 71.4 | Confident | 70 Ų | 70 | 98.7 Ų | 98.7 | 28% | 0.275 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 138.2 | 172.8 | -63.9 | -83.5 | 0 | 0 | 0 | 110.3 | L34 I161 F186 Y187 | L34-Y182 HydrophobicContact CD1-CD1 4.33Å; L34-Y182 HydrophobicContact CD1-CE1 4.22Å; I161-Y182 HydrophobicContact CG1-CE1 4.41Å; Y182-F186 AromaticContact CD1-CD1 3.7Å; Y182-F186 HydrophobicContact CD1-CD1 3.7Å; Y182-F186 AromaticContact CD1-CD2 3.91Å; Y182-F186 HydrophobicContact CD1-CD2 3.91Å; Y182-F186 AromaticContact CD1-CE1 3.75Å; Y182-F186 HydrophobicContact CD1-CE1 3.75Å; Y182-F186 AromaticContact CD1-CE2 3.95Å; Y182-F186 HydrophobicContact CD1-CE2 3.95Å; Y182-F186 AromaticContact CD1-CG 3.78Å; Y182-F186 HydrophobicContact CD1-CG 3.78Å; Y182-F186 AromaticContact CD1-CZ 3.88Å; Y182-F186 HydrophobicContact CD1-CZ 3.88Å; Y182-F186 HydrophobicContact CE1-CD2 4.4Å; Y182-F186 HydrophobicContact CE1-CE1 4.24Å; Y182-F186 HydrophobicContact CE1-CE2 4.04Å; Y182-F186 AromaticContact CE1-CZ 3.96Å; Y182-F186 HydrophobicContact CE1-CZ 3.96Å; Y182-F186 AromaticContact CG-CD1 3.89Å; Y182-F186 HydrophobicContact CG-CD1 3.89Å; Y182-F186 HydrophobicContact CG-CE1 4.02Å; Y182-F186 HydrophobicContact CG-CG 4.33Å; Y182-Y187 WeakPolarHBondContact O-CE2 3.48Å |
| 183 | G | 83.8 | Confident | 73.8 | Confident | 1 Ų | 1 | 92.1 Ų | 92.1 | 1% | 0.01 | 43% | 0.43 | C | S | . | . | trans | -90.2 | 170.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y32 W33 S185 F186 Y187 | Y32-G183 CarbonylContact O-C 3.59Å; Y32-G183 WeakPolarHBondContact O-CA 3.44Å; W33-G183 PolarHBondContact O-N 2.96Å; G183-S185 PolarHBondContact O-N 2.83Å; G183-F186 WeakPolarHBondContact O-CB 3.47Å; G183-F186 PolarHBondContact O-N 3.17Å; G183-F186 VanDerWaalsContact O-N 3.1Å; G183-Y187 VanDerWaalsContact O-CD2 3.31Å; G183-Y187 WeakPolarHBondContact O-CD2 3.41Å; G183-Y187 PolarHBondContact O-N 3.1Å | ||
| 184 | W | 88.4 | Confident | 76.4 | Confident | 178 Ų | 178 | 91 Ų | 91 | 67% | 0.674 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59 | -32.8 | -175.3 | -57.1 | 104.3 | 0 | 0 | 0 | 113.3 | Y32 F186 Y187 F188 | Y32-W184 PolarHBondContact O-N 3.4Å; W184-F186 VanDerWaalsContact C-N 3.33Å; W184-F186 PolarHBondContact O-N 3.27Å; W184-Y187 PolarHBondContact O-N 2.9Å; W184-F188 HydrophobicContact CB-CE2 4.09Å; W184-F188 WeakPolarHBondContact O-CD2 3.35Å; W184-F188 WeakPolarHBondContact O-CG 3.33Å; W184-F188 PolarHBondContact O-N 3.15Å |
| 185 | S | 89.4 | Confident | 79 | Confident | 3 Ų | 3 | 85.1 Ų | 85.1 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | A27 T30 Y32 G183 F188 G189 | A27-S185 VanDerWaalsContact CB-O 3.28Å; A27-S185 WeakPolarHBondContact CB-O 3.36Å; T30-S185 WeakPolarHBondContact OG1-CB 3.4Å; T30-S185 PolarHBondContact OG1-OG 3.32Å; Y32-S185 WeakPolarHBondContact CB-OG 3.28Å; Y32-S185 VanDerWaalsContact O-CB 3.24Å; Y32-S185 WeakPolarHBondContact O-CB 3.44Å; Y32-S185 PolarHBondContact O-N 2.97Å; Y32-S185 VanDerWaalsContact O-N 3.11Å; Y32-S185 PolarHBondContact O-OG 3.25Å; G183-S185 PolarHBondContact O-N 2.83Å; S185-F188 PolarHBondContact O-N 3.11Å; S185-G189 PolarHBondContact O-N 3.16Å |
| 186 | F | 87.8 | Confident | 81.5 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 10% | 0.096 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 175.3 | 178.5 | -91 | 0 | 0 | 0 | 111.3 | W33 I157 Y160 I161 Y182 G183 W184 F188 G189 A190 | W33-F186 HydrophobicContact CE3-CD2 4.09Å; W33-F186 HydrophobicContact CZ3-CD2 4.35Å; W33-F186 WeakPolarHBondContact O-CB 3.45Å; I157-F186 HydrophobicContact CG2-CE2 3.89Å; I157-F186 HydrophobicContact CG2-CZ 3.95Å; Y160-F186 HydrophobicContact CD1-CD2 4.37Å; Y160-F186 HydrophobicContact CD1-CE2 4.31Å; I161-F186 HydrophobicContact CD1-CE2 4.47Å; I161-F186 HydrophobicContact CD1-CZ 4.06Å; I161-F186 HydrophobicContact CG1-CE2 4.22Å; I161-F186 HydrophobicContact CG1-CZ 4.19Å; Y182-F186 AromaticContact CD1-CD1 3.7Å; Y182-F186 HydrophobicContact CD1-CD1 3.7Å; Y182-F186 AromaticContact CD1-CD2 3.91Å; Y182-F186 HydrophobicContact CD1-CD2 3.91Å; Y182-F186 AromaticContact CD1-CE1 3.75Å; Y182-F186 HydrophobicContact CD1-CE1 3.75Å; Y182-F186 AromaticContact CD1-CE2 3.95Å; Y182-F186 HydrophobicContact CD1-CE2 3.95Å; Y182-F186 AromaticContact CD1-CG 3.78Å; Y182-F186 HydrophobicContact CD1-CG 3.78Å; Y182-F186 AromaticContact CD1-CZ 3.88Å; Y182-F186 HydrophobicContact CD1-CZ 3.88Å; Y182-F186 HydrophobicContact CE1-CD2 4.4Å; Y182-F186 HydrophobicContact CE1-CE1 4.24Å; Y182-F186 HydrophobicContact CE1-CE2 4.04Å; Y182-F186 AromaticContact CE1-CZ 3.96Å; Y182-F186 HydrophobicContact CE1-CZ 3.96Å; Y182-F186 AromaticContact CG-CD1 3.89Å; Y182-F186 HydrophobicContact CG-CD1 3.89Å; Y182-F186 HydrophobicContact CG-CE1 4.02Å; Y182-F186 HydrophobicContact CG-CG 4.33Å; G183-F186 WeakPolarHBondContact O-CB 3.47Å; G183-F186 PolarHBondContact O-N 3.17Å; G183-F186 VanDerWaalsContact O-N 3.1Å; W184-F186 VanDerWaalsContact C-N 3.33Å; W184-F186 PolarHBondContact O-N 3.27Å; F186-F188 PolarHBondContact O-N 3.44Å; F186-G189 PolarHBondContact O-N 3.29Å; F186-A190 PolarHBondContact O-N 3.21Å |
| 187 | Y | 91.8 | Very high | 83.8 | Confident | 124 Ų | 124 | 71.6 Ų | 71.6 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 174.4 | -65.8 | -66.2 | 0 | 0 | 0 | 112.8 | Y182 G183 W184 A190 L191 | Y182-Y187 WeakPolarHBondContact O-CE2 3.48Å; G183-Y187 VanDerWaalsContact O-CD2 3.31Å; G183-Y187 WeakPolarHBondContact O-CD2 3.41Å; G183-Y187 PolarHBondContact O-N 3.1Å; W184-Y187 PolarHBondContact O-N 2.9Å; Y187-A190 PolarHBondContact O-N 3.1Å; Y187-L191 VanDerWaalsContact O-CB 3.28Å; Y187-L191 WeakPolarHBondContact O-CB 3.38Å; Y187-L191 PolarHBondContact O-N 2.97Å |
| 188 | F | 92.7 | Very high | 85.8 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 171.6 | -66.1 | -47.9 | 0 | 0 | 0 | 112.5 | L23 I26 A27 W184 S185 F186 L191 S192 | L23-F188 HydrophobicContact CD2-CB 4.37Å; L23-F188 HydrophobicContact CD2-CD1 3.74Å; L23-F188 HydrophobicContact CD2-CE1 4.39Å; L23-F188 HydrophobicContact CD2-CG 4.27Å; I26-F188 HydrophobicContact CG2-CD2 4.27Å; A27-F188 HydrophobicContact CB-CB 4.5Å; W184-F188 HydrophobicContact CB-CE2 4.09Å; W184-F188 WeakPolarHBondContact O-CD2 3.35Å; W184-F188 WeakPolarHBondContact O-CG 3.33Å; W184-F188 PolarHBondContact O-N 3.15Å; S185-F188 PolarHBondContact O-N 3.11Å; F186-F188 PolarHBondContact O-N 3.44Å; F188-L191 PolarHBondContact O-N 3.34Å; F188-S192 WeakPolarHBondContact O-CB 3.46Å; F188-S192 PolarHBondContact O-N 2.85Å |
| 189 | G | 91.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N153 S185 F186 S192 F193 | N153-G189 PolarHBondContact ND2-O 2.92Å; S185-G189 PolarHBondContact O-N 3.16Å; F186-G189 PolarHBondContact O-N 3.29Å; G189-S192 PolarHBondContact O-N 3.47Å; G189-S192 PolarHBondContact O-OG 2.87Å; G189-F193 PolarHBondContact O-N 3.36Å |
| 190 | A | 92.5 | Very high | 89.7 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.9 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F186 Y187 F193 I194 | F186-A190 PolarHBondContact O-N 3.21Å; Y187-A190 PolarHBondContact O-N 3.1Å; A190-F193 WeakPolarHBondContact O-CB 3.42Å; A190-F193 PolarHBondContact O-N 2.97Å; A190-I194 PolarHBondContact O-N 3.11Å |
| 191 | L | 93.8 | Very high | 91.1 | Very high | 82 Ų | 82 | 52 Ų | 52 | 43% | 0.429 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 176.3 | -164.8 | 148.4 | 0 | 0 | 0 | 111.3 | L23 Y187 F188 F193 I194 V195 | L23-L191 HydrophobicContact CD1-CD2 3.5Å; Y187-L191 VanDerWaalsContact O-CB 3.28Å; Y187-L191 WeakPolarHBondContact O-CB 3.38Å; Y187-L191 PolarHBondContact O-N 2.97Å; F188-L191 PolarHBondContact O-N 3.34Å; L191-F193 VanDerWaalsContact C-N 3.29Å; L191-F193 PolarHBondContact O-N 2.98Å; L191-I194 PolarHBondContact O-N 3.12Å; L191-V195 HydrophobicContact CD2-CG2 3.81Å; L191-V195 WeakPolarHBondContact O-CG2 3.49Å; L191-V195 PolarHBondContact O-N 3.15Å |
| 192 | S | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -35.7 | 172.8 | 80.4 | 0 | 0 | 0 | 0 | 112.3 | N153 F188 G189 A196 | N153-S192 PolarHBondContact ND2-OG 3.39Å; F188-S192 WeakPolarHBondContact O-CB 3.46Å; F188-S192 PolarHBondContact O-N 2.85Å; G189-S192 PolarHBondContact O-N 3.47Å; G189-S192 PolarHBondContact O-OG 2.87Å; S192-A196 WeakPolarHBondContact O-CB 3.3Å; S192-A196 PolarHBondContact O-N 3Å |
| 193 | F | 94.3 | Very high | 92.3 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 21% | 0.211 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 171.7 | 167.8 | -107.9 | 0 | 0 | 0 | 112 | G150 I154 G189 A190 L191 V195 A196 E197 | G150-F193 VanDerWaalsContact O-CD2 3.28Å; G150-F193 WeakPolarHBondContact O-CD2 3.41Å; G150-F193 WeakPolarHBondContact O-CE2 3.49Å; I154-F193 HydrophobicContact CB-CD2 4.24Å; I154-F193 HydrophobicContact CB-CE2 4.02Å; I154-F193 HydrophobicContact CB-CZ 4.25Å; I154-F193 HydrophobicContact CG2-CE2 4.11Å; I154-F193 HydrophobicContact CG2-CZ 4.43Å; G189-F193 PolarHBondContact O-N 3.36Å; A190-F193 WeakPolarHBondContact O-CB 3.42Å; A190-F193 PolarHBondContact O-N 2.97Å; L191-F193 VanDerWaalsContact C-N 3.29Å; L191-F193 PolarHBondContact O-N 2.98Å; F193-V195 PolarHBondContact O-N 3.31Å; F193-A196 WeakPolarHBondContact O-CB 3.35Å; F193-A196 PolarHBondContact O-N 2.86Å; F193-A196 VanDerWaalsContact O-N 3.14Å; F193-E197 HydrophobicContact CD2-CG 4.06Å; F193-E197 HydrophobicContact CE2-CG 3.52Å; F193-E197 HydrophobicContact CZ-CG 3.79Å; F193-E197 PolarHBondContact O-N 3.17Å |
| 194 | I | 95.3 | Very high | 92.6 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 60% | 0.595 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.9 | -44.6 | -179.9 | -63.7 | 167 | 0 | 0 | 0 | 110.9 | A190 L191 A196 S198 | A190-I194 PolarHBondContact O-N 3.11Å; L191-I194 PolarHBondContact O-N 3.12Å; I194-A196 VanDerWaalsContact C-N 3.33Å; I194-S198 WeakPolarHBondContact O-CB 3.06Å; I194-S198 PolarHBondContact O-N 3.18Å; I194-S198 VanDerWaalsContact O-N 3.13Å |
| 195 | V | 95.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 174 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | G16 A20 L191 F193 S198 V199 | G16-V195 WeakPolarHBondContact O-CG1 3.26Å; A20-V195 HydrophobicContact CB-CB 4.28Å; A20-V195 HydrophobicContact CB-CG1 3.99Å; L191-V195 HydrophobicContact CD2-CG2 3.81Å; L191-V195 WeakPolarHBondContact O-CG2 3.49Å; L191-V195 PolarHBondContact O-N 3.15Å; F193-V195 PolarHBondContact O-N 3.31Å; V195-S198 PolarHBondContact O-N 2.85Å; V195-S198 PolarHBondContact O-OG 3.27Å; V195-V199 HydrophobicContact CG1-CG2 4.29Å; V195-V199 VanDerWaalsContact O-CG2 3.3Å; V195-V199 WeakPolarHBondContact O-CG2 3.36Å; V195-V199 PolarHBondContact O-N 2.92Å |
| 196 | A | 94.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -50.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | A20 L119 F146 S192 F193 I194 S198 V199 G200 | A20-A196 HydrophobicContact CB-CB 4.34Å; L119-A196 HydrophobicContact CD2-CB 3.96Å; F146-A196 HydrophobicContact CD1-CB 3.77Å; F146-A196 WeakPolarHBondContact CD1-O 3.18Å; F146-A196 VanDerWaalsContact CE1-CA 3.47Å; F146-A196 HydrophobicContact CE1-CB 3.55Å; S192-A196 WeakPolarHBondContact O-CB 3.3Å; S192-A196 PolarHBondContact O-N 3Å; F193-A196 WeakPolarHBondContact O-CB 3.35Å; F193-A196 PolarHBondContact O-N 2.86Å; F193-A196 VanDerWaalsContact O-N 3.14Å; I194-A196 VanDerWaalsContact C-N 3.33Å; A196-S198 VanDerWaalsContact C-N 3.3Å; A196-S198 PolarHBondContact O-N 3.41Å; A196-V199 PolarHBondContact O-N 2.97Å; A196-G200 PolarHBondContact O-N 3.28Å |
| 197 | E | 94.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 45 Ų | 45 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 177.3 | -69.1 | -60 | 157.4 | 0 | 0 | 111.4 | G150 F193 V199 G200 V201 | G150-E197 WeakPolarHBondContact CA-OE1 3.27Å; F193-E197 HydrophobicContact CD2-CG 4.06Å; F193-E197 HydrophobicContact CE2-CG 3.52Å; F193-E197 HydrophobicContact CZ-CG 3.79Å; F193-E197 PolarHBondContact O-N 3.17Å; E197-V199 VanDerWaalsContact C-N 3.31Å; E197-V199 PolarHBondContact O-N 2.96Å; E197-G200 PolarHBondContact O-N 3.13Å; E197-V201 WeakPolarHBondContact O-CB 3.43Å; E197-V201 WeakPolarHBondContact O-CG2 3.14Å; E197-V201 PolarHBondContact O-N 3.19Å |
| 198 | S | 93.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 42.3 Ų | 42.3 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 175.7 | 80.6 | 0 | 0 | 0 | 0 | 112.8 | I194 V195 A196 L202 | I194-S198 WeakPolarHBondContact O-CB 3.06Å; I194-S198 PolarHBondContact O-N 3.18Å; I194-S198 VanDerWaalsContact O-N 3.13Å; V195-S198 PolarHBondContact O-N 2.85Å; V195-S198 PolarHBondContact O-OG 3.27Å; A196-S198 VanDerWaalsContact C-N 3.3Å; A196-S198 PolarHBondContact O-N 3.41Å; S198-L202 VanDerWaalsContact O-CB 3.23Å; S198-L202 WeakPolarHBondContact O-CB 3.34Å; S198-L202 PolarHBondContact O-N 3.38Å |
| 199 | V | 94.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.5 | -37.2 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | A13 A17 F146 V195 A196 E197 L202 A203 | A13-V199 WeakPolarHBondContact O-CG1 3.39Å; A17-V199 HydrophobicContact CB-CG1 4.29Å; F146-V199 HydrophobicContact CD2-CG1 3.88Å; F146-V199 HydrophobicContact CE1-CB 4.29Å; F146-V199 HydrophobicContact CE1-CG1 4.3Å; F146-V199 HydrophobicContact CE2-CB 4.41Å; F146-V199 HydrophobicContact CE2-CG1 3.57Å; F146-V199 HydrophobicContact CG-CG1 4.39Å; F146-V199 HydrophobicContact CZ-CB 4.25Å; F146-V199 HydrophobicContact CZ-CG1 3.83Å; V195-V199 HydrophobicContact CG1-CG2 4.29Å; V195-V199 VanDerWaalsContact O-CG2 3.3Å; V195-V199 WeakPolarHBondContact O-CG2 3.36Å; V195-V199 PolarHBondContact O-N 2.92Å; A196-V199 PolarHBondContact O-N 2.97Å; E197-V199 VanDerWaalsContact C-N 3.31Å; E197-V199 PolarHBondContact O-N 2.96Å; V199-L202 PolarHBondContact O-N 2.03Å; V199-A203 WeakPolarHBondContact O-CB 3.44Å; V199-A203 PolarHBondContact O-N 2.75Å |
| 200 | G | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -51.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A196 E197 L202 A203 V204 | A196-G200 PolarHBondContact O-N 3.28Å; E197-G200 PolarHBondContact O-N 3.13Å; G200-L202 VanDerWaalsContact C-N 3.34Å; G200-L202 PolarHBondContact O-N 3Å; G200-A203 PolarHBondContact O-N 3.42Å; G200-V204 WeakPolarHBondContact O-CG2 3.19Å; G200-V204 PolarHBondContact O-N 3.4Å |
| 201 | V | 93.6 | Very high | 91.8 | Very high | 97 Ų | 97 | 44.2 Ų | 44.2 | 59% | 0.588 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.4 | -42.4 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | E197 V204 N205 | E197-V201 WeakPolarHBondContact O-CB 3.43Å; E197-V201 WeakPolarHBondContact O-CG2 3.14Å; E197-V201 PolarHBondContact O-N 3.19Å; V201-V204 PolarHBondContact O-N 3.48Å; V201-N205 WeakPolarHBondContact O-CB 3.49Å; V201-N205 PolarHBondContact O-N 3.32Å |
| 202 | L | 91.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 176.1 | -179.6 | 60.3 | 0 | 0 | 0 | 112 | Q9 L12 A13 S198 V199 G200 V204 N205 I206 | Q9-L202 HydrophobicContact CB-CD1 4.41Å; Q9-L202 HydrophobicContact CG-CD1 4.41Å; L12-L202 HydrophobicContact CD2-CD2 3.59Å; A13-L202 HydrophobicContact CB-CD2 3.89Å; A13-L202 HydrophobicContact CB-CG 4.3Å; S198-L202 VanDerWaalsContact O-CB 3.23Å; S198-L202 WeakPolarHBondContact O-CB 3.34Å; S198-L202 PolarHBondContact O-N 3.38Å; V199-L202 PolarHBondContact O-N 2.03Å; G200-L202 VanDerWaalsContact C-N 3.34Å; G200-L202 PolarHBondContact O-N 3Å; L202-V204 PolarHBondContact O-N 3.3Å; L202-N205 PolarHBondContact O-N 2.98Å; L202-I206 HydrophobicContact CD1-CD1 4.15Å; L202-I206 HydrophobicContact CD1-CG1 4.35Å; L202-I206 HydrophobicContact CG-CD1 3.99Å; L202-I206 VanDerWaalsContact O-CG1 3.26Å; L202-I206 WeakPolarHBondContact O-CG1 3.4Å; L202-I206 PolarHBondContact O-N 3.41Å |
| 203 | A | 90.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L139 V199 G200 I206 Y207 | L139-A203 HydrophobicContact CD1-CB 4.26Å; V199-A203 WeakPolarHBondContact O-CB 3.44Å; V199-A203 PolarHBondContact O-N 2.75Å; G200-A203 PolarHBondContact O-N 3.42Å; A203-I206 PolarHBondContact O-N 3.47Å; A203-Y207 WeakPolarHBondContact O-CB 3.32Å; A203-Y207 PolarHBondContact O-N 3.28Å |
| 204 | V | 90.9 | Very high | 90.3 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 34% | 0.339 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | G200 V201 L202 Y207 I208 | G200-V204 WeakPolarHBondContact O-CG2 3.19Å; G200-V204 PolarHBondContact O-N 3.4Å; V201-V204 PolarHBondContact O-N 3.48Å; L202-V204 PolarHBondContact O-N 3.3Å; V204-Y207 WeakPolarHBondContact O-CB 3.44Å; V204-Y207 PolarHBondContact O-N 2.92Å; V204-I208 HydrophobicContact CG1-CD1 3.87Å; V204-I208 HydrophobicContact CG1-CG1 4.45Å; V204-I208 VanDerWaalsContact O-CG1 3.32Å; V204-I208 WeakPolarHBondContact O-CG1 3.3Å; V204-I208 PolarHBondContact O-N 3.31Å |
| 205 | N | 91.1 | Very high | 89.7 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 176.3 | -172.7 | 38.6 | 0 | 0 | 0 | 112.1 | V201 L202 Y207 I208 E209 | V201-N205 WeakPolarHBondContact O-CB 3.49Å; V201-N205 PolarHBondContact O-N 3.32Å; L202-N205 PolarHBondContact O-N 2.98Å; N205-Y207 VanDerWaalsContact C-N 3.25Å; N205-Y207 PolarHBondContact O-N 2.97Å; N205-I208 PolarHBondContact O-N 2.94Å; N205-I208 VanDerWaalsContact O-N 3.09Å; N205-E209 PolarHBondContact O-N 3.34Å |
| 206 | I | 89.2 | Confident | 89.1 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 174.4 | -62.8 | 163.2 | 0 | 0 | 0 | 110.3 | Q9 A13 L139 L202 A203 K210 | Q9-I206 HydrophobicContact CB-CD1 4.04Å; Q9-I206 HydrophobicContact CB-CG1 4.33Å; A13-I206 HydrophobicContact CB-CD1 4.45Å; L139-I206 HydrophobicContact CD2-CB 4.18Å; L139-I206 HydrophobicContact CD2-CG2 3.78Å; L202-I206 HydrophobicContact CD1-CD1 4.15Å; L202-I206 HydrophobicContact CD1-CG1 4.35Å; L202-I206 HydrophobicContact CG-CD1 3.99Å; L202-I206 VanDerWaalsContact O-CG1 3.26Å; L202-I206 WeakPolarHBondContact O-CG1 3.4Å; L202-I206 PolarHBondContact O-N 3.41Å; A203-I206 PolarHBondContact O-N 3.47Å; I206-K210 VanDerWaalsContact O-CB 3.26Å; I206-K210 WeakPolarHBondContact O-CB 3.4Å; I206-K210 PolarHBondContact O-N 2.98Å |
| 207 | Y | 88.4 | Confident | 88.5 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 173.1 | 172.5 | -95.9 | 0 | 0 | 0 | 112.7 | N136 L139 L140 A203 V204 N205 K210 N211 | N136-Y207 HydrophobicContact CB-CE2 4.11Å; N136-Y207 WeakPolarHBondContact O-CD2 3.42Å; N136-Y207 WeakPolarHBondContact O-CE2 3.29Å; L139-Y207 HydrophobicContact CB-CD2 4.46Å; L140-Y207 HydrophobicContact CB-CD1 4.29Å; L140-Y207 HydrophobicContact CB-CD2 3.85Å; L140-Y207 HydrophobicContact CB-CE1 4.2Å; L140-Y207 HydrophobicContact CB-CE2 3.74Å; L140-Y207 HydrophobicContact CB-CG 4.13Å; L140-Y207 HydrophobicContact CD1-CD1 4.2Å; L140-Y207 HydrophobicContact CD1-CE1 3.54Å; L140-Y207 HydrophobicContact CD1-CE2 4.31Å; L140-Y207 HydrophobicContact CG-CE1 4.46Å; A203-Y207 WeakPolarHBondContact O-CB 3.32Å; A203-Y207 PolarHBondContact O-N 3.28Å; V204-Y207 WeakPolarHBondContact O-CB 3.44Å; V204-Y207 PolarHBondContact O-N 2.92Å; N205-Y207 VanDerWaalsContact C-N 3.25Å; N205-Y207 PolarHBondContact O-N 2.97Å; Y207-K210 PolarHBondContact O-N 2.89Å; Y207-N211 VanDerWaalsContact O-CB 3.29Å; Y207-N211 WeakPolarHBondContact O-CB 3.45Å; Y207-N211 PolarHBondContact O-N 3.14Å |
| 208 | I | 90.4 | Very high | 87.9 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 178.1 | -71.9 | 166.8 | 0 | 0 | 0 | 110.9 | V204 N205 N211 K212 | V204-I208 HydrophobicContact CG1-CD1 3.87Å; V204-I208 HydrophobicContact CG1-CG1 4.45Å; V204-I208 VanDerWaalsContact O-CG1 3.32Å; V204-I208 WeakPolarHBondContact O-CG1 3.3Å; V204-I208 PolarHBondContact O-N 3.31Å; N205-I208 PolarHBondContact O-N 2.94Å; N205-I208 VanDerWaalsContact O-N 3.09Å; I208-N211 PolarHBondContact O-N 2.85Å; I208-K212 HydrophobicContact CG2-CD 4.08Å; I208-K212 WeakPolarHBondContact O-CB 3.29Å; I208-K212 VanDerWaalsContact O-CG 3.3Å; I208-K212 WeakPolarHBondContact O-CG 3.21Å; I208-K212 PolarHBondContact O-N 3.28Å |
| 209 | E | 87.3 | Confident | 87.3 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 171.9 | -81.6 | -162.1 | -142.3 | 0 | 0 | 111.8 | R6 N205 N211 K212 E213 | R6-E209 IonicContact CZ-OE2 3.4Å; R6-E209 VanDerWaalsContact CZ-OE2 3.23Å; R6-E209 IonicContact NE-OE2 2.96Å; R6-E209 PolarHBondContact NE-OE2 2.8Å; R6-E209 IonicContact NH2-OE2 3.26Å; R6-E209 PolarHBondContact NH2-OE2 2.8Å; N205-E209 PolarHBondContact O-N 3.34Å; E209-N211 VanDerWaalsContact C-N 3.26Å; E209-N211 PolarHBondContact O-N 3.09Å; E209-K212 WeakPolarHBondContact O-CB 3.46Å; E209-K212 PolarHBondContact O-N 2.74Å; E209-K212 VanDerWaalsContact O-N 3.14Å; E209-E213 PolarHBondContact O-N 3.24Å |
| 210 | K | 83.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 79.3 Ų | 79.3 | 21% | 0.213 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.6 | -34.4 | -178.4 | -162.3 | -177.6 | -173.4 | -153.8 | 0 | 112.3 | T133 N136 I206 Y207 T214 | T133-K210 PolarHBondContact O-NZ 2.84Å; N136-K210 WeakPolarHBondContact OD1-CD 3.4Å; N136-K210 WeakPolarHBondContact OD1-CE 3.33Å; N136-K210 PolarHBondContact OD1-NZ 2.97Å; I206-K210 VanDerWaalsContact O-CB 3.26Å; I206-K210 WeakPolarHBondContact O-CB 3.4Å; I206-K210 PolarHBondContact O-N 2.98Å; Y207-K210 PolarHBondContact O-N 2.89Å; K210-T214 PolarHBondContact O-N 3.31Å; K210-T214 VanDerWaalsContact O-N 3.09Å; K210-T214 PolarHBondContact O-OG1 3.19Å |
| 211 | N | 86.1 | Confident | 86 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.9 | -38.2 | 174.8 | -174.1 | 31.2 | 0 | 0 | 0 | 112.4 | Y207 I208 E209 E213 T214 R215 | Y207-N211 VanDerWaalsContact O-CB 3.29Å; Y207-N211 WeakPolarHBondContact O-CB 3.45Å; Y207-N211 PolarHBondContact O-N 3.14Å; I208-N211 PolarHBondContact O-N 2.85Å; E209-N211 VanDerWaalsContact C-N 3.26Å; E209-N211 PolarHBondContact O-N 3.09Å; N211-E213 VanDerWaalsContact C-N 3.3Å; N211-E213 PolarHBondContact O-N 2.96Å; N211-T214 PolarHBondContact O-N 2.93Å; N211-T214 PolarHBondContact O-OG1 3.46Å; N211-T214 VanDerWaalsContact O-OG1 3.05Å; N211-R215 WeakPolarHBondContact O-CB 3.11Å; N211-R215 VanDerWaalsContact O-CG 3.24Å; N211-R215 WeakPolarHBondContact O-CG 3.13Å; N211-R215 PolarHBondContact O-N 3.07Å; N211-R215 VanDerWaalsContact O-N 3.09Å |
| 212 | K | 86.8 | Confident | 85.1 | Confident | 123 Ų | 123 | 86.3 Ų | 86.3 | 54% | 0.535 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 169.4 | -75 | 167.7 | 179.8 | 172.7 | 0 | 110.2 | I208 E209 R215 F216 | I208-K212 HydrophobicContact CG2-CD 4.08Å; I208-K212 WeakPolarHBondContact O-CB 3.29Å; I208-K212 VanDerWaalsContact O-CG 3.3Å; I208-K212 WeakPolarHBondContact O-CG 3.21Å; I208-K212 PolarHBondContact O-N 3.28Å; E209-K212 WeakPolarHBondContact O-CB 3.46Å; E209-K212 PolarHBondContact O-N 2.74Å; E209-K212 VanDerWaalsContact O-N 3.14Å; K212-R215 PolarHBondContact O-N 3.43Å; K212-F216 HydrophobicContact CB-CD2 4.48Å; K212-F216 HydrophobicContact CB-CE2 4.5Å; K212-F216 WeakPolarHBondContact O-CD2 3.42Å; K212-F216 PolarHBondContact O-N 2.95Å |
| 213 | E | 83.5 | Confident | 84.4 | Confident | 65 Ų | 65 | 90 Ų | 90 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 178 | -72.2 | -147.8 | 164.1 | 0 | 0 | 114.3 | R6 E209 N211 R215 F216 R217 | R6-E213 IonicContact CZ-OE1 3.18Å; R6-E213 VanDerWaalsContact CZ-OE1 3.26Å; R6-E213 IonicContact NH1-OE1 3.86Å; R6-E213 PolarHBondContact NH1-OE1 3.47Å; R6-E213 IonicContact NH1-OE2 2.85Å; R6-E213 PolarHBondContact NH1-OE2 2.88Å; R6-E213 IonicContact NH2-OE1 4Å; R6-E213 PolarHBondContact NH2-OE1 3.49Å; E209-E213 PolarHBondContact O-N 3.24Å; N211-E213 VanDerWaalsContact C-N 3.3Å; N211-E213 PolarHBondContact O-N 2.96Å; E213-R215 VanDerWaalsContact C-N 3.28Å; E213-R215 PolarHBondContact O-N 2.87Å; E213-F216 PolarHBondContact O-N 3.31Å; E213-R217 WeakPolarHBondContact O-CB 3.41Å; E213-R217 WeakPolarHBondContact O-CG 3.49Å; E213-R217 PolarHBondContact O-N 2.74Å |
| 214 | T | 81.7 | Confident | 83.7 | Confident | 60 Ų | 60 | 97 Ų | 97 | 37% | 0.368 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 176.3 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | K210 N211 A218 | K210-T214 PolarHBondContact O-N 3.31Å; K210-T214 VanDerWaalsContact O-N 3.09Å; K210-T214 PolarHBondContact O-OG1 3.19Å; N211-T214 PolarHBondContact O-N 2.93Å; N211-T214 PolarHBondContact O-OG1 3.46Å; N211-T214 VanDerWaalsContact O-OG1 3.05Å; T214-A218 VanDerWaalsContact O-CB 3.28Å; T214-A218 WeakPolarHBondContact O-CB 3.44Å; T214-A218 PolarHBondContact O-N 3.21Å |
| 215 | R | 82.5 | Confident | 82.7 | Confident | 178 Ų | 178 | 96.8 Ų | 96.8 | 67% | 0.672 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 173.5 | -66.2 | -69.4 | -176.2 | 167.7 | 3.6 | 112.6 | N211 K212 E213 K219 | N211-R215 WeakPolarHBondContact O-CB 3.11Å; N211-R215 VanDerWaalsContact O-CG 3.24Å; N211-R215 WeakPolarHBondContact O-CG 3.13Å; N211-R215 PolarHBondContact O-N 3.07Å; N211-R215 VanDerWaalsContact O-N 3.09Å; K212-R215 PolarHBondContact O-N 3.43Å; E213-R215 VanDerWaalsContact C-N 3.28Å; E213-R215 PolarHBondContact O-N 2.87Å; R215-K219 WeakPolarHBondContact O-CG 3.35Å; R215-K219 PolarHBondContact O-N 3.09Å |
| 216 | F | 82.7 | Confident | 81.5 | Confident | 149 Ų | 149 | 96.8 Ų | 96.8 | 65% | 0.654 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.3 | -40.3 | 175.5 | -81.7 | -61.6 | 0 | 0 | 0 | 112.8 | K212 E213 K219 R220 | K212-F216 HydrophobicContact CB-CD2 4.48Å; K212-F216 HydrophobicContact CB-CE2 4.5Å; K212-F216 WeakPolarHBondContact O-CD2 3.42Å; K212-F216 PolarHBondContact O-N 2.95Å; E213-F216 PolarHBondContact O-N 3.31Å; F216-K219 PolarHBondContact O-N 3.29Å; F216-R220 WeakPolarHBondContact O-CB 3.4Å; F216-R220 PolarHBondContact O-N 2.84Å |
| 217 | R | 81.9 | Confident | 80.1 | Confident | 147 Ų | 147 | 98.8 Ų | 98.8 | 56% | 0.555 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.2 | -53.5 | 173.2 | -73.1 | 174.8 | -177.1 | -92 | 1.6 | 110.5 | E213 K219 R220 D221 | E213-R217 WeakPolarHBondContact O-CB 3.41Å; E213-R217 WeakPolarHBondContact O-CG 3.49Å; E213-R217 PolarHBondContact O-N 2.74Å; R217-K219 VanDerWaalsContact C-N 3.32Å; R217-K219 PolarHBondContact O-N 2.99Å; R217-R220 CarbonylContact O-C 3.56Å; R217-R220 WeakPolarHBondContact O-CA 3.38Å; R217-R220 PolarHBondContact O-N 3.35Å; R217-D221 WeakPolarHBondContact O-CB 3.29Å; R217-D221 VanDerWaalsContact O-CG 3.29Å; R217-D221 PolarHBondContact O-N 2.96Å; R217-D221 VanDerWaalsContact O-OD2 3.09Å |
| 218 | A | 81.1 | Confident | 78.7 | Confident | 58 Ų | 58 | 101.2 Ų | 101.2 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.1 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T214 F222 | T214-A218 VanDerWaalsContact O-CB 3.28Å; T214-A218 WeakPolarHBondContact O-CB 3.44Å; T214-A218 PolarHBondContact O-N 3.21Å; A218-F222 VanDerWaalsContact O-CB 3.3Å; A218-F222 WeakPolarHBondContact O-CB 3.36Å; A218-F222 PolarHBondContact O-N 3Å |
| 219 | K | 81.8 | Confident | 76.9 | Confident | 147 Ų | 147 | 102.3 Ų | 102.3 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | 172.6 | -79.5 | -171.6 | 174.3 | -171.2 | 0 | 112.5 | R215 F216 R217 I223 | R215-K219 WeakPolarHBondContact O-CG 3.35Å; R215-K219 PolarHBondContact O-N 3.09Å; F216-K219 PolarHBondContact O-N 3.29Å; R217-K219 VanDerWaalsContact C-N 3.32Å; R217-K219 PolarHBondContact O-N 2.99Å; K219-I223 WeakPolarHBondContact O-CB 3.5Å; K219-I223 WeakPolarHBondContact O-CD1 3.47Å; K219-I223 VanDerWaalsContact O-CG1 3.24Å; K219-I223 WeakPolarHBondContact O-CG1 3.33Å; K219-I223 PolarHBondContact O-N 3.43Å |
| 220 | R | 81.4 | Confident | 75.3 | Confident | 200 Ų | 200 | 102 Ų | 102 | 76% | 0.755 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.3 | -36.7 | -178.9 | -162.2 | 174 | -167 | 132.3 | 2.3 | 112.3 | F216 R217 K224 | F216-R220 WeakPolarHBondContact O-CB 3.4Å; F216-R220 PolarHBondContact O-N 2.84Å; R217-R220 CarbonylContact O-C 3.56Å; R217-R220 WeakPolarHBondContact O-CA 3.38Å; R217-R220 PolarHBondContact O-N 3.35Å; R220-K224 VanDerWaalsContact O-CB 3.28Å; R220-K224 WeakPolarHBondContact O-CB 3.29Å; R220-K224 PolarHBondContact O-N 3.05Å |
| 221 | D | 78.5 | Confident | 73.9 | Confident | 97 Ų | 97 | 105 Ų | 105 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.3 | -37.8 | 176.4 | -64 | -38.3 | 0 | 0 | 0 | 111.2 | R217 K224 A225 | R217-D221 WeakPolarHBondContact O-CB 3.29Å; R217-D221 VanDerWaalsContact O-CG 3.29Å; R217-D221 PolarHBondContact O-N 2.96Å; R217-D221 VanDerWaalsContact O-OD2 3.09Å; D221-K224 PolarHBondContact O-N 3.3Å; D221-A225 WeakPolarHBondContact O-CB 3.29Å; D221-A225 PolarHBondContact O-N 3.19Å |
| 222 | F | 75.1 | Confident | 72.3 | Confident | 147 Ų | 147 | 111.7 Ų | 111.7 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.2 | -50.4 | 169.7 | -174 | -92.4 | 0 | 0 | 0 | 111.6 | A218 K224 A225 T226 | A218-F222 VanDerWaalsContact O-CB 3.3Å; A218-F222 WeakPolarHBondContact O-CB 3.36Å; A218-F222 PolarHBondContact O-N 3Å; F222-K224 VanDerWaalsContact C-N 3.27Å; F222-K224 PolarHBondContact O-N 3.42Å; F222-A225 WeakPolarHBondContact O-CB 3.37Å; F222-A225 PolarHBondContact O-N 3.43Å; F222-A225 VanDerWaalsContact O-N 3.14Å; F222-T226 PolarHBondContact O-N 2.85Å; F222-T226 PolarHBondContact O-OG1 2.79Å; F222-T226 VanDerWaalsContact O-OG1 3.1Å |
| 223 | I | 77.5 | Confident | 70.5 | Confident | 108 Ų | 108 | 109.4 Ų | 109.4 | 55% | 0.554 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.2 | -42 | 175.1 | -70.4 | 163.7 | 0 | 0 | 0 | 110.6 | K219 S227 | K219-I223 WeakPolarHBondContact O-CB 3.5Å; K219-I223 WeakPolarHBondContact O-CD1 3.47Å; K219-I223 VanDerWaalsContact O-CG1 3.24Å; K219-I223 WeakPolarHBondContact O-CG1 3.33Å; K219-I223 PolarHBondContact O-N 3.43Å; I223-S227 VanDerWaalsContact O-CB 3.25Å; I223-S227 WeakPolarHBondContact O-CB 3.49Å; I223-S227 PolarHBondContact O-N 3.36Å; I223-S227 PolarHBondContact O-OG 2.74Å |
| 224 | K | 76.5 | Confident | 69 | Low | 149 Ų | 149 | 116.9 Ų | 116.9 | 65% | 0.648 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.5 | -44.2 | 176.8 | -173.6 | -177.6 | 178.6 | -172.3 | 0 | 111.6 | R220 D221 F222 S227 S228 | R220-K224 VanDerWaalsContact O-CB 3.28Å; R220-K224 WeakPolarHBondContact O-CB 3.29Å; R220-K224 PolarHBondContact O-N 3.05Å; D221-K224 PolarHBondContact O-N 3.3Å; F222-K224 VanDerWaalsContact C-N 3.27Å; F222-K224 PolarHBondContact O-N 3.42Å; K224-S227 PolarHBondContact O-N 2.89Å; K224-S228 WeakPolarHBondContact O-CB 3.41Å; K224-S228 PolarHBondContact O-N 3.03Å; K224-S228 PolarHBondContact O-OG 2.91Å |
| 225 | A | 69.7 | Low | 67.5 | Low | 51 Ų | 51 | 120 Ų | 120 | 42% | 0.421 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.3 | -54.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D221 F222 S227 S228 S229 | D221-A225 WeakPolarHBondContact O-CB 3.29Å; D221-A225 PolarHBondContact O-N 3.19Å; F222-A225 WeakPolarHBondContact O-CB 3.37Å; F222-A225 PolarHBondContact O-N 3.43Å; F222-A225 VanDerWaalsContact O-N 3.14Å; A225-S227 VanDerWaalsContact C-N 3.29Å; A225-S227 PolarHBondContact O-N 3.11Å; A225-S228 WeakPolarHBondContact CA-OG 2.95Å; A225-S228 CarbonylContact O-C 3.11Å; A225-S228 PolarHBondContact O-N 3.44Å; A225-S228 PolarHBondContact O-OG 3.36Å; A225-S229 PolarHBondContact O-N 3.14Å; A225-S229 PolarHBondContact O-OG 2.72Å |
| 226 | T | 64.9 | Low | 65.7 | Low | 70 Ų | 70 | 116.5 Ų | 116.5 | 43% | 0.429 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.1 | -36.6 | 177.1 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | F222 S229 S230 | F222-T226 PolarHBondContact O-N 2.85Å; F222-T226 PolarHBondContact O-OG1 2.79Å; F222-T226 VanDerWaalsContact O-OG1 3.1Å; T226-S229 WeakPolarHBondContact CA-OG 3.49Å; T226-S229 PolarHBondContact O-N 3.4Å; T226-S229 PolarHBondContact O-OG 2.82Å; T226-S230 PolarHBondContact O-N 3.5Å; T226-S230 VanDerWaalsContact O-N 3.1Å |
| 227 | S | 61 | Low | 64.1 | Low | 61 Ų | 61 | 115 Ų | 115 | 43% | 0.427 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64 | -44.2 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | I223 K224 A225 S230 S233 | I223-S227 VanDerWaalsContact O-CB 3.25Å; I223-S227 WeakPolarHBondContact O-CB 3.49Å; I223-S227 PolarHBondContact O-N 3.36Å; I223-S227 PolarHBondContact O-OG 2.74Å; K224-S227 PolarHBondContact O-N 2.89Å; A225-S227 VanDerWaalsContact C-N 3.29Å; A225-S227 PolarHBondContact O-N 3.11Å; S227-S230 PolarHBondContact O-N 3.29Å; S227-S230 PolarHBondContact O-OG 2.95Å; S227-S233 PolarHBondContact O-OG 3.4Å |
| 228 | S | 58 | Low | 62.3 | Low | 94 Ų | 94 | 118.8 Ų | 118.8 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73 | -23.2 | 178.7 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | K224 A225 | K224-S228 WeakPolarHBondContact O-CB 3.41Å; K224-S228 PolarHBondContact O-N 3.03Å; K224-S228 PolarHBondContact O-OG 2.91Å; A225-S228 WeakPolarHBondContact CA-OG 2.95Å; A225-S228 CarbonylContact O-C 3.11Å; A225-S228 PolarHBondContact O-N 3.44Å; A225-S228 PolarHBondContact O-OG 3.36Å |
| 229 | S | 54.3 | Low | 60.9 | Low | 90 Ų | 90 | 126.8 Ų | 126.8 | 63% | 0.629 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -3.7 | 173.3 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | A225 T226 | A225-S229 PolarHBondContact O-N 3.14Å; A225-S229 PolarHBondContact O-OG 2.72Å; T226-S229 WeakPolarHBondContact CA-OG 3.49Å; T226-S229 PolarHBondContact O-N 3.4Å; T226-S229 PolarHBondContact O-OG 2.82Å |
| 230 | S | 51.7 | Low | 58.9 | Low | 45 Ų | 45 | 128.5 Ų | 128.5 | 32% | 0.315 | 64% | 0.64 | S | S | . | * | trans | -81.3 | 121.6 | 176.2 | 74.6 | 0 | 0 | 0 | 0 | 110.7 | T226 S227 Y232 S233 | T226-S230 PolarHBondContact O-N 3.5Å; T226-S230 VanDerWaalsContact O-N 3.1Å; S227-S230 PolarHBondContact O-N 3.29Å; S227-S230 PolarHBondContact O-OG 2.95Å; S230-Y232 PolarHBondContact O-N 3.07Å; S230-Y232 VanDerWaalsContact O-N 3.15Å; S230-S233 PolarHBondContact O-N 3.02Å; S230-S233 PolarHBondContact O-OG 2.9Å | ||
| 231 | P | 54.8 | Low | 57.1 | Low | 111 Ų | 111 | 130.9 Ų | 130.9 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -66.7 | -17.6 | -177.1 | 25 | -33.3 | 0 | 0 | 0 | 113.4 | S233 | P231-S233 VanDerWaalsContact C-N 3.33Å; P231-S233 PolarHBondContact O-N 3.41Å |
| 232 | Y | 52.7 | Low | 55.2 | Low | 196 Ų | 196 | 135.7 Ų | 135.7 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -75.5 | -13.6 | 178.3 | -86.2 | -85.6 | 0 | 0 | 0 | 114.9 | S230 R234 | S230-Y232 PolarHBondContact O-N 3.07Å; S230-Y232 VanDerWaalsContact O-N 3.15Å; Y232-R234 VanDerWaalsContact C-N 3.25Å; Y232-R234 PolarHBondContact O-N 2.89Å |
| 233 | S | 50 | Low | 53.7 | Low | 75 Ų | 75 | 139.4 Ų | 139.4 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -76.3 | -8.8 | 178.6 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | S227 S230 P231 I235 | S227-S233 PolarHBondContact O-OG 3.4Å; S230-S233 PolarHBondContact O-N 3.02Å; S230-S233 PolarHBondContact O-OG 2.9Å; P231-S233 VanDerWaalsContact C-N 3.33Å; P231-S233 PolarHBondContact O-N 3.41Å; S233-I235 VanDerWaalsContact C-N 3.3Å; S233-I235 PolarHBondContact O-N 3.39Å |
| 234 | R | 51.2 | Low | 51.8 | Low | 222 Ų | 222 | 145.3 Ų | 145.3 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -84.7 | 21.1 | 178.8 | -74 | -167.4 | -177.9 | 174.1 | 2.2 | 115.1 | Y232 P236 | Y232-R234 VanDerWaalsContact C-N 3.25Å; Y232-R234 PolarHBondContact O-N 2.89Å; R234-P236 WeakPolarHBondContact O-CD 3.5Å |
| 235 | I | 50.8 | Low | 49.8 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 64% | 0.641 | 69% | 0.689 | S | S | * | * | trans | -86 | 106.5 | 174.7 | -60.2 | 173.9 | 0 | 0 | 0 | 108.9 | S233 S237 | S233-I235 VanDerWaalsContact C-N 3.3Å; S233-I235 PolarHBondContact O-N 3.39Å; I235-S237 PolarHBondContact O-N 3.29Å | ||
| 236 | P | 45 | Very low | 48.2 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | trans | -66.5 | 122.2 | 173.3 | 28.5 | -34 | 0 | 0 | 0 | 109.1 | R234 Y238 | R234-P236 WeakPolarHBondContact O-CD 3.5Å; P236-Y238 PolarHBondContact O-N 3.3Å | ||
| 237 | S | 48.3 | Very low | 46.8 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -77.1 | 54.6 | -172.2 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | I235 R239 | I235-S237 PolarHBondContact O-N 3.29Å; S237-R239 PolarHBondContact O-N 2.99Å | ||
| 238 | Y | 45.1 | Very low | 45.5 | Very low | 227 Ų | 227 | 156 Ų | 156 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -74.5 | 38.2 | -176.1 | -128.4 | -88.1 | 0 | 0 | 0 | 114.3 | P236 | P236-Y238 PolarHBondContact O-N 3.3Š| ||
| 239 | R | 50.6 | Low | 44.4 | Very low | 226 Ų | 226 | 157.1 Ų | 157.1 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -133.6 | 79 | 177.9 | -80 | -173.2 | 170.4 | 172.7 | -1.6 | 111.6 | S237 | S237-R239 PolarHBondContact O-N 2.99Š| ||
| 240 | Y | 39.9 | Very low | 43.5 | Very low | 184 Ų | 184 | 164.4 Ų | 164.4 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -157.9 | 30.9 | 139.9 | -114.5 | -65.3 | 0 | 0 | 0 | 116.9 | R242 | Y240-R242 HydrophobicContact CD1-CB 4.25Å; Y240-R242 HydrophobicContact CE1-CB 4.32Å; Y240-R242 PolarHBondContact O-N 2.68Å | ||
| 241 | R | 42.8 | Very low | 42.8 | Very low | 250 Ų | 250 | 167 Ų | 167 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -81.2 | 59.8 | 163.1 | -168 | 176.6 | -97 | -164.4 | -4.6 | 111 | R243 | R241-R243 PolarHBondContact O-N 2.87Š| ||
| 242 | R | 40.1 | Very low | 41.8 | Very low | 197 Ų | 197 | 168.3 Ų | 168.3 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 108.7 | 174.9 | -175.9 | 174.5 | -75.2 | 174 | -2.3 | 108.8 | Y240 R244 | Y240-R242 HydrophobicContact CD1-CB 4.25Å; Y240-R242 HydrophobicContact CE1-CB 4.32Å; Y240-R242 PolarHBondContact O-N 2.68Å; R242-R244 PolarHBondContact O-N 3.09Å | ||
| 243 | R | 42.5 | Very low | 41 | Very low | 225 Ų | 225 | 166 Ų | 166 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | trans | -53.6 | 127 | 179.3 | -68.3 | -177.9 | 176.6 | -165.1 | -0.6 | 110.4 | R241 S245 | R241-R243 PolarHBondContact O-N 2.87Å; R243-S245 PolarHBondContact O-N 3.49Å | ||
| 244 | R | 38.3 | Very low | 40.8 | Very low | 232 Ų | 232 | 167.9 Ų | 167.9 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -94.9 | 79.3 | 169.4 | -166.3 | 174.7 | -163.6 | 159.5 | 5.4 | 109.1 | R242 R246 | R242-R244 PolarHBondContact O-N 3.09Å; R244-R246 PolarHBondContact O-N 2.89Å | ||
| 245 | S | 34.3 | Very low | 39.9 | Very low | 104 Ų | 104 | 162.8 Ų | 162.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -60.9 | 107.6 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 110 | R243 | R243-S245 PolarHBondContact O-N 3.49Š| ||
| 246 | R | 36.7 | Very low | 39.4 | Very low | 224 Ų | 224 | 168.3 Ų | 168.3 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -93.4 | 103.5 | 167.5 | -92.5 | -178.2 | 162 | 167.6 | -6.9 | 108.2 | R244 | R244-R246 PolarHBondContact O-N 2.89Š| ||
| 247 | S | 33.9 | Very low | 38.7 | Very low | 119 Ų | 119 | 172 Ų | 172 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -87.4 | 119.9 | 162.7 | -57.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 248 | S | 34.3 | Very low | 37.8 | Very low | 110 Ų | 110 | 171 Ų | 171 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -147.4 | 86 | 173.8 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 249 | S | 34.4 | Very low | 37.2 | Very low | 117 Ų | 117 | 165.7 Ų | 165.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -81 | 114.9 | 176.4 | -48.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 250 | R | 35.4 | Very low | 37.6 | Very low | 242 Ų | 242 | 160.6 Ų | 160.6 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -163.7 | 118.4 | 151.5 | -109.1 | 161.7 | -165.7 | -144.6 | 0.2 | 111.2 | ||||
| 251 | S | 37.8 | Very low | 37.4 | Very low | 100 Ų | 100 | 159 Ų | 159 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -38.4 | 140.8 | 170.5 | 49.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 252 | T | 34.5 | Very low | 36.7 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | -164.2 | 150.8 | 111 | 20.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 253 | D | 35.3 | Very low | 36.6 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -91.8 | -164.5 | -176.8 | -58.6 | -85.6 | 0 | 0 | 0 | 112.4 | ||||
| 254 | P | 45.5 | Very low | 36.3 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | -128.5 | 176 | -73.9 | 38.3 | -24.6 | 0 | 0 | 0 | 112.8 | |||||
| 255 | S | 32.8 | Very low | 36.2 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -170.1 | 124.9 | 142.9 | 17.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 256 | R | 39.4 | Very low | 35.9 | Very low | 242 Ų | 242 | 141.2 Ų | 141.2 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | 69.5 | 136.2 | 139.4 | -69.6 | -178.4 | 168.8 | 153.9 | -1 | 122.6 | ||||
| 257 | E | 29.9 | Very low | 35.7 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -68.8 | 179.4 | 163 | -53.8 | 116 | 129.7 | 0 | 0 | 111.4 | ||||
| 258 | A | 30.1 | Very low | 35.6 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | cis | -156.4 | 177.1 | 23.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 259 | S | 32 | Very low | 35.5 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -96.6 | -160.2 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 260 | P | 60.8 | Low | 35.3 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -128.5 | 146.2 | -86.7 | 38.1 | -22.5 | 0 | 0 | 0 | 115.3 | |||||
| 261 | V | 34 | Very low | 35 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -151 | 148.7 | 172.9 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 262 | G | 29.1 | Very low | 34.7 | Very low | 59 Ų | 59 | 126.3 Ų | 126.3 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | cis | 139.3 | 115.2 | -9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 263 | M | 37.8 | Very low | 34.6 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | 65 | 165.3 | 174.4 | -65.1 | 169 | 69.9 | 0 | 0 | 114.9 | ||||
| 264 | K | 36.2 | Very low | 34.5 | Very low | 167 Ų | 167 | 124.8 Ų | 124.8 | 73% | 0.726 | 81% | 0.814 | S | S | * | * | cis | -156.9 | 176 | 2.1 | -132.9 | -174.4 | 176.8 | 178.6 | 0 | 106.8 | ||||
| 265 | M | 35.2 | Very low | 33.8 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | cis | -161.7 | 152.4 | -2.8 | -172.9 | 55.5 | -163.4 | 0 | 0 | 110.1 | ||||
| 266 | G | 29.8 | Very low | 33.8 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 93.6 | 140.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 267 | G | 30.9 | Very low | 33.3 | Very low | 86 Ų | 86 | 118.5 Ų | 118.5 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | cis | 136.4 | 133.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 268 | G | 32.2 | Very low | 33.6 | Very low | 67 Ų | 67 | 118 Ų | 118 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | -178.8 | -166 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 269 | S | 31.9 | Very low | 34.2 | Very low | 135 Ų | 135 | 118.9 Ų | 118.9 | 94% | 0.944 | 81% | 0.812 | S | S | * | * | trans | 66.6 | 142.1 | -179 | 72.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 270 | G | 30.1 | Very low | 34.4 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | cis | -177.3 | 166.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 271 | G | 30.5 | Very low | 33 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 90.1 | 93.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 272 | V | 31.9 | Very low | 33 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 97% | 0.97 | 81% | 0.814 | S | S | * | * | 73.5 | 109.8 | 70.6 | 179.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 273 | G | 31 | Very low | 33.3 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 164.5 | 90.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 274 | L | 33 | Very low | 33.3 | Very low | 179 Ų | 179 | 121.9 Ų | 121.9 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -56.2 | 148.9 | 171.8 | -60.4 | 151.3 | 0 | 0 | 0 | 110.6 | ||||
| 275 | G | 30.7 | Very low | 33.3 | Very low | 74 Ų | 74 | 121.9 Ų | 121.9 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | cis | 86.4 | 134.3 | 49.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 276 | M | 32.8 | Very low | 33.1 | Very low | 198 Ų | 198 | 124.3 Ų | 124.3 | 98% | 0.975 | 82% | 0.824 | S | S | * | * | cis | -169.5 | 157.6 | 10.2 | 170.2 | 65.9 | 151.9 | 0 | 0 | 108.3 | ||||
| 277 | G | 29.3 | Very low | 33.5 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | 128.8 | 114.6 | 155 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 278 | L | 35.6 | Very low | 33.6 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | trans | -90.2 | 165 | 144.3 | -86.9 | 165.6 | 0 | 0 | 0 | 107.5 | ||||
| 279 | P | 44.3 | Very low | 33.5 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 84% | 0.837 | S | S | * | * | cis | -153.7 | -172.7 | 44.5 | 44.4 | -22.6 | 0 | 0 | 0 | 118.4 | ||||
| 280 | M | 36.4 | Very low | 33.7 | Very low | 188 Ų | 188 | 138 Ų | 138 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | trans | 16.3 | 132.8 | 148.5 | -68.4 | -67.4 | -174.4 | 0 | 0 | 121 | ||||
| 281 | G | 31.4 | Very low | 33.9 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | -166.5 | 122.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 282 | D | 32.9 | Very low | 34.5 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -73.3 | 161.2 | 168.8 | -62.9 | -77.5 | 0 | 0 | 0 | 111.5 | ||||
| 283 | I | 36.5 | Very low | 34.5 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | 178.3 | 134.3 | 132 | -93.5 | 153 | 0 | 0 | 0 | 109.1 | M285 | I283-M285 HydrophobicContact CG2-CE 4.28Š| ||
| 284 | S | 37.4 | Very low | 34.7 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -101.8 | 146.2 | 163.7 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 285 | M | 36.4 | Very low | 34.6 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -151.5 | 144.9 | 159.6 | -129.9 | 172.1 | -73.7 | 0 | 0 | 111.7 | I283 | I283-M285 HydrophobicContact CG2-CE 4.28Š| ||
| 286 | Y | 31.1 | Very low | 34.6 | Very low | 211 Ų | 211 | 142.8 Ų | 142.8 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -87.3 | 137.1 | -176.2 | -69.5 | -106.6 | 0 | 0 | 0 | 110.7 | ||||
| 287 | T | 38.1 | Very low | 34.6 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | trans | -116.2 | 91.8 | 162.9 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 288 | L | 31.4 | Very low | 34.8 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 115.1 | 166.4 | -83.2 | 169.6 | 0 | 0 | 0 | 109.5 | ||||
| 289 | S | 30.7 | Very low | 35.2 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -88.7 | 110 | 160.5 | -70.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 290 | R | 35.4 | Very low | 34.6 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -64 | 163.5 | 150.2 | -104.9 | 179.4 | 155.9 | 118.2 | -2.6 | 109.1 | ||||
| 291 | D | 34.8 | Very low | 34.3 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 64% | 0.642 | 80% | 0.804 | S | S | * | * | cis | -167.1 | -169 | 24.3 | -117.6 | -28.8 | 0 | 0 | 0 | 107.4 | ||||
| 292 | P | 42.4 | Very low | 35.2 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | cis | -136.7 | 161.9 | -30.9 | 34.9 | -16.6 | 0 | 0 | 0 | 116 | ||||
| 293 | L | 33.3 | Very low | 34.9 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 46.9 | 97 | 138.5 | -62.4 | 168.8 | 0 | 0 | 0 | 123.4 | ||||
| 294 | K | 33.8 | Very low | 34.5 | Very low | 213 Ų | 213 | 135.1 Ų | 135.1 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | -170.8 | 130.8 | 114.7 | -122.4 | 174 | 178 | 175.1 | 0 | 108.2 | |||||
| 295 | G | 31.4 | Very low | 34.9 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | cis | 112.4 | 100.2 | 12.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 296 | G | 31 | Very low | 34.5 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | cis | -175 | -167.7 | -0.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 297 | S | 32.9 | Very low | 34.4 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | 29.8 | 134 | 158.6 | 56.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 298 | G | 32.8 | Very low | 34 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | cis | -177.6 | -163.1 | 34.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 299 | P | 45.5 | Very low | 34 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -124.4 | 163.7 | -141.1 | 42.4 | -32.8 | 0 | 0 | 0 | 118.8 | ||||
| 300 | A | 31.4 | Very low | 34 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | 62.2 | 140.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 301 | G | 29.2 | Very low | 33.7 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 154.6 | 137.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 302 | P | 51.6 | Low | 33.9 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | trans | -118.5 | -175.2 | -178.1 | 38.6 | -25.3 | 0 | 0 | 0 | 115.3 | ||||
| 303 | Y | 25.7 | Very low | 33.6 | Very low | 234 Ų | 234 | 140 Ų | 140 | 92% | 0.918 | 83% | 0.825 | S | S | * | * | trans | 105.6 | 165.8 | 172.9 | -74.1 | -87.1 | 0 | 0 | 0 | 118.3 | ||||
| 304 | S | 27.6 | Very low | 33.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -147.2 | 175.2 | -161.2 | -153.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 305 | P | 46.4 | Very low | 33.4 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | cis | -131.7 | -163 | -6.1 | 38.1 | -17.5 | 0 | 0 | 0 | 113.7 | ||||
| 306 | E | 28.8 | Very low | 33.5 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 77.9 | 157 | 154.2 | -75.1 | -167.1 | 129.8 | 0 | 0 | 122.7 | ||||
| 307 | R | 29.3 | Very low | 33.4 | Very low | 230 Ų | 230 | 141.1 Ų | 141.1 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 71.2 | 98.2 | 163.7 | -144.4 | 178.3 | -158.1 | 168.2 | 5.8 | 118.7 | ||||
| 308 | N | 28.9 | Very low | 33.4 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | -164.3 | 140.7 | 109.5 | -97.6 | -25.8 | 0 | 0 | 0 | 113 | |||||
| 309 | T | 31.5 | Very low | 33.1 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -104.3 | 132.1 | -179.9 | 45.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 310 | G | 29.5 | Very low | 32.4 | Very low | 72 Ų | 72 | 150.1 Ų | 150.1 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 61.3 | 98.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 311 | F | 29.5 | Very low | 32.3 | Very low | 212 Ų | 212 | 151.6 Ų | 151.6 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -150 | 109 | 147.4 | -114.7 | -77.4 | 0 | 0 | 0 | 110.5 | ||||
| 312 | L | 38.7 | Very low | 32.5 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | trans | 168.8 | 101.8 | 147.2 | -95 | 172.9 | 0 | 0 | 0 | 107.6 | ||||
| 313 | Q | 36.2 | Very low | 31.5 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -130.3 | 161.7 | -179.7 | -164.6 | -162.8 | -11.1 | 0 | 0 | 108.1 | ||||
| 314 | V | 32.4 | Very low | 31.6 | Very low | 100 Ų | 100 | 151.8 Ų | 151.8 | 61% | 0.606 | 79% | 0.787 | S | S | * | * | trans | 73.7 | 104.6 | 166.3 | -169.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 315 | H | 31.1 | Very low | 32 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | -136.8 | 120.1 | 105.6 | -125.4 | -91.7 | 0 | 0 | 0 | 109.8 | |||||
| 316 | N | 32.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -136.1 | 121.6 | -178.6 | -153.5 | 0.7 | 0 | 0 | 0 | 106.5 | F318 | N316-F318 PolarHBondContact O-N 3.03Š| ||
| 317 | C | 30.4 | Very low | 32 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -78.7 | 120.4 | -170.6 | -74 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 318 | F | 31.5 | Very low | 32.5 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -61.8 | 159.8 | 154.2 | -83.8 | -99.5 | 0 | 0 | 0 | 109.1 | N316 | N316-F318 PolarHBondContact O-N 3.03Š| ||
| 319 | Q | 28 | Very low | 33.3 | Very low | 161 Ų | 161 | 154.1 Ų | 154.1 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | cis | -141 | 161.8 | 41.8 | -178 | 170.2 | -40.1 | 0 | 0 | 114.2 | D321 | Q319-D321 PolarHBondContact NE2-OD2 3.12Å; Q319-D321 VanDerWaalsContact NE2-OD2 3.12Å | ||
| 320 | K | 30.1 | Very low | 33.8 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 73% | 0.726 | 80% | 0.801 | S | S | * | * | trans | -131.6 | 119.4 | -178.4 | 171.5 | -167.1 | -178.5 | -177.7 | 0 | 107.8 | V322 | K320-V322 HydrophobicContact CD-CG2 4.46Å; K320-V322 HydrophobicContact CG-CG2 4.15Å | ||
| 321 | D | 28.6 | Very low | 34.2 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -107 | 140.5 | 169.9 | -79.4 | -59.9 | 0 | 0 | 0 | 111.1 | Q319 | Q319-D321 PolarHBondContact NE2-OD2 3.12Å; Q319-D321 VanDerWaalsContact NE2-OD2 3.12Å | ||
| 322 | V | 33.4 | Very low | 35 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | -146.1 | 125.4 | -176.2 | 169.9 | 0 | 0 | 0 | 0 | 108.4 | K320 | K320-V322 HydrophobicContact CD-CG2 4.46Å; K320-V322 HydrophobicContact CG-CG2 4.15Å | ||
| 323 | K | 30.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 77% | 0.774 | 81% | 0.808 | S | S | * | * | trans | -166.2 | 138.5 | 136.5 | -114.2 | -175 | 175.6 | 176.8 | 0 | 115.2 | ||||
| 324 | N | 29.6 | Very low | 34.8 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | 47.2 | 116.5 | 144.2 | -62.3 | 5.7 | 0 | 0 | 0 | 120 | ||||
| 325 | G | 35 | Very low | 34.9 | Very low | 81 Ų | 81 | 154.1 Ų | 154.1 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -80.6 | 168.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 326 | A | 33.9 | Very low | 35.1 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -151.2 | 138.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 327 | N | 41.5 | Very low | 35.3 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -66.4 | 136.1 | 171.3 | -73.1 | -28.3 | 0 | 0 | 0 | 110.7 | ||||
| 328 | R | 39.5 | Very low | 35.6 | Very low | 253 Ų | 253 | 155.2 Ų | 155.2 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -153.9 | 150.4 | 152.8 | -113.8 | 164 | -167.4 | -170.8 | 1.4 | 112.7 | ||||
| 329 | R | 46.2 | Very low | 35.9 | Very low | 229 Ų | 229 | 152.8 Ų | 152.8 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -92.5 | 170.3 | -177.4 | -83.6 | 178.3 | 166.8 | 167.3 | -5.3 | 111.7 | ||||
| 330 | T | 41.6 | Very low | 36.4 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | 70.2 | 120.5 | 145.5 | 38.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 331 | T | 37.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 77% | 0.767 | 83% | 0.832 | S | S | * | * | 23.1 | 145.4 | 122.1 | 57 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 332 | P | 46.7 | Very low | 37.6 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | cis | -123.8 | -171.9 | 33.5 | 38.9 | -21.4 | 0 | 0 | 0 | 112.6 | ||||
| 333 | V | 35.9 | Very low | 38 | Very low | 206 Ų | 206 | 156 Ų | 156 | 100% | 1.248 | 86% | 0.856 | S | S | * | * | cis | -129.9 | 0 | 16.4 | 176.9 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 333 of 333 residues in 86.6 ms
(Link to these results)