| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 55.6 | Low | 11 Ų | 11 | 57.8 Ų | 57.8 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | 0 | 73.8 | 0 | -64.8 | -101.8 | -81.4 | 0 | 0 | 107.3 | T5 L11 N14 L17 L36 F39 F41 F108 M109 | M1-T5 PolarHBondContact N-OG1 3.5Å; M1-L11 HydrophobicContact CG-CD2 3.44Å; M1-L11 VanDerWaalsContact CG-CD2 3.44Å; M1-L11 HydrophobicContact SD-CD2 4.39Å; M1-N14 PolarHBondContact N-ND2 3.2Å; M1-N14 VanDerWaalsContact N-ND2 3.1Å; M1-L17 HydrophobicContact CB-CD1 4.21Å; M1-L17 HydrophobicContact CB-CD2 4.24Å; M1-L17 HydrophobicContact CB-CG 4.39Å; M1-L17 HydrophobicContact CG-CD1 4.14Å; M1-L36 CarbonylContact C-O 3.59Å; M1-L36 WeakPolarHBondContact O-CD1 3.42Å; M1-F39 HydrophobicContact CB-CB 4.32Å; M1-F39 HydrophobicContact CB-CD1 3.57Å; M1-F39 HydrophobicContact CB-CE1 4.02Å; M1-F39 HydrophobicContact CB-CG 3.98Å; M1-F39 HydrophobicContact CE-CD1 3.9Å; M1-F39 HydrophobicContact CE-CD2 4.11Å; M1-F39 HydrophobicContact CE-CE1 3.25Å; M1-F39 HydrophobicContact CE-CE2 3.49Å; M1-F39 VanDerWaalsContact CE-CE2 3.49Å; M1-F39 HydrophobicContact CE-CG 4.29Å; M1-F39 HydrophobicContact CE-CZ 3.02Å; M1-F39 HydrophobicContact CG-CD1 4.28Å; M1-F39 HydrophobicContact CG-CE1 4.47Å; M1-F39 HydrophobicContact CG-CG 4.41Å; M1-F39 HydrophobicContact SD-CD1 3.81Å; M1-F39 HydrophobicContact SD-CD2 3.5Å; M1-F39 WeakPolarHBondContact SD-CD2 3.46Å; M1-F39 HydrophobicContact SD-CE1 3.78Å; M1-F39 HydrophobicContact SD-CE2 3.46Å; M1-F39 WeakPolarHBondContact SD-CE2 3.37Å; M1-F39 HydrophobicContact SD-CG 3.67Å; M1-F39 HydrophobicContact SD-CZ 3.62Å; M1-F41 HydrophobicContact SD-CB 3.91Å; M1-F41 HydrophobicContact SD-CD1 3.95Å; M1-F41 HydrophobicContact SD-CG 4.07Å; M1-F108 HydrophobicContact CE-CD1 3.54Å; M1-F108 HydrophobicContact CE-CE1 3.51Å; M1-F108 HydrophobicContact SD-CE1 4.36Å; M1-M109 HydrophobicContact CE-CG 3.51Å; M1-M109 HydrophobicContact CE-SD 4.26Å | |||
| 2 | G | 38.4 | Very low | 57 | Low | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | trans | -151.7 | 177.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | N4 T5 Q35 | G2-N4 PolarHBondContact O-N 3.33Å; G2-T5 PolarHBondContact N-OG1 2.8Å; G2-T5 PolarHBondContact O-N 2.99Å; G2-T5 VanDerWaalsContact O-N 3.08Å; G2-T5 PolarHBondContact O-OG1 3.26Å; G2-Q35 WeakPolarHBondContact CA-O 3.39Å | ||
| 3 | A | 44.1 | Very low | 58.6 | Low | 51 Ų | 51 | 63.2 Ų | 63.2 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -19.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 4 | N | 45.2 | Very low | 60.4 | Low | 136 Ų | 136 | 59.9 Ų | 59.9 | 73% | 0.727 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 6.6 | -174.4 | -58 | -18.7 | 0 | 0 | 0 | 115.7 | G2 | G2-N4 PolarHBondContact O-N 3.33Š|
| 5 | T | 50.6 | Low | 62.1 | Low | 14 Ų | 14 | 63.3 Ų | 63.3 | 9% | 0.086 | 37% | 0.367 | C | S | . | . | trans | -100.6 | 120.2 | -177.1 | -27.6 | 0 | 0 | 0 | 0 | 111.8 | M1 G2 D10 L11 N14 | M1-T5 PolarHBondContact N-OG1 3.5Å; G2-T5 PolarHBondContact N-OG1 2.8Å; G2-T5 PolarHBondContact O-N 2.99Å; G2-T5 VanDerWaalsContact O-N 3.08Å; G2-T5 PolarHBondContact O-OG1 3.26Å; T5-D10 HydrophobicContact CG2-CB 3.95Å; T5-L11 HydrophobicContact CG2-CD2 4.35Å; T5-N14 PolarHBondContact OG1-ND2 3.5Å | ||
| 6 | S | 52.8 | Low | 63.8 | Low | 89 Ų | 89 | 59.9 Ų | 59.9 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | trans | -108.8 | -18.1 | -174.5 | -50.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 7 | Q | 62.3 | Low | 65.3 | Low | 122 Ų | 122 | 57.2 Ų | 57.2 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -138.9 | 154.2 | -176.5 | -62.1 | -170.1 | 2.3 | 0 | 0 | 112.9 | T9 D10 | Q7-T9 VanDerWaalsContact C-N 3.25Å; Q7-T9 PolarHBondContact O-N 2.81Å; Q7-D10 PolarHBondContact O-N 3.02Å |
| 8 | V | 64.7 | Low | 66.7 | Low | 30 Ų | 30 | 59.2 Ų | 59.2 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -59.5 | -35.6 | 178.2 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | D10 L11 F41 L52 L53 A56 | V8-D10 PolarHBondContact O-N 3.02Å; V8-L11 HydrophobicContact CG1-CD1 4.06Å; V8-L11 WeakPolarHBondContact O-CB 3.41Å; V8-L11 VanDerWaalsContact O-CG 3.25Å; V8-L11 WeakPolarHBondContact O-CG 3.06Å; V8-L11 PolarHBondContact O-N 3.29Å; V8-F41 HydrophobicContact CG2-CE2 3.42Å; V8-F41 VanDerWaalsContact CG2-CE2 3.42Å; V8-F41 HydrophobicContact CG2-CZ 3.7Å; V8-L52 HydrophobicContact CG1-CB 4.31Å; V8-L53 HydrophobicContact CG1-CB 4.46Å; V8-A56 HydrophobicContact CG1-CB 4.02Å |
| 9 | T | 63.3 | Low | 68.1 | Low | 98 Ų | 98 | 58.4 Ų | 58.4 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -62.5 | -22.3 | -179.5 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | Q7 | Q7-T9 VanDerWaalsContact C-N 3.25Å; Q7-T9 PolarHBondContact O-N 2.81Å |
| 10 | D | 72.1 | Confident | 69.4 | Low | 76 Ų | 76 | 55.6 Ų | 55.6 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -94.6 | 0.5 | -175.2 | -54.3 | -22.3 | 0 | 0 | 0 | 112.3 | T5 Q7 V8 S12 E13 N14 | T5-D10 HydrophobicContact CG2-CB 3.95Å; Q7-D10 PolarHBondContact O-N 3.02Å; V8-D10 PolarHBondContact O-N 3.02Å; D10-S12 PolarHBondContact O-N 3.22Å; D10-E13 PolarHBondContact O-N 3.38Å; D10-N14 PolarHBondContact O-N 3.45Å |
| 11 | L | 75.9 | Confident | 70.6 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -38.9 | -177.4 | -70 | 174.6 | 0 | 0 | 0 | 112.5 | M1 T5 V8 E13 N14 L17 L53 A56 | M1-L11 HydrophobicContact CG-CD2 3.44Å; M1-L11 VanDerWaalsContact CG-CD2 3.44Å; M1-L11 HydrophobicContact SD-CD2 4.39Å; T5-L11 HydrophobicContact CG2-CD2 4.35Å; V8-L11 HydrophobicContact CG1-CD1 4.06Å; V8-L11 WeakPolarHBondContact O-CB 3.41Å; V8-L11 VanDerWaalsContact O-CG 3.25Å; V8-L11 WeakPolarHBondContact O-CG 3.06Å; V8-L11 PolarHBondContact O-N 3.29Å; L11-E13 VanDerWaalsContact C-N 3.26Å; L11-E13 PolarHBondContact O-N 3.1Å; L11-N14 WeakPolarHBondContact O-CB 3.5Å; L11-N14 PolarHBondContact O-N 3.34Å; L11-L17 HydrophobicContact CB-CD1 4.27Å; L11-L17 HydrophobicContact CD2-CD1 3.82Å; L11-L53 HydrophobicContact CD1-CD1 3.73Å; L11-A56 HydrophobicContact CB-CB 4.28Å; L11-A56 HydrophobicContact CD1-CB 4.04Å |
| 12 | S | 72.3 | Confident | 73.1 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -28.9 | -180 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | D10 K18 | D10-S12 PolarHBondContact O-N 3.22Å; S12-K18 WeakPolarHBondContact O-CE 3.48Å |
| 13 | E | 77.6 | Confident | 75.7 | Confident | 130 Ų | 130 | 59.2 Ų | 59.2 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -4.6 | -180 | -64.7 | -53.9 | 146.6 | 0 | 0 | 113.6 | D10 L11 T15 K18 | D10-E13 PolarHBondContact O-N 3.38Å; L11-E13 VanDerWaalsContact C-N 3.26Å; L11-E13 PolarHBondContact O-N 3.1Å; E13-T15 PolarHBondContact O-N 3Å; E13-K18 IonicContact OE2-NZ 3.88Å; E13-K18 PolarHBondContact OE2-NZ 2.82Å |
| 14 | N | 83.9 | Confident | 78 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | trans | -67.4 | 119.7 | -178.1 | -177.5 | -79.2 | 0 | 0 | 0 | 111.8 | M1 T5 D10 L11 S16 L17 K18 | M1-N14 PolarHBondContact N-ND2 3.2Å; M1-N14 VanDerWaalsContact N-ND2 3.1Å; T5-N14 PolarHBondContact OG1-ND2 3.5Å; D10-N14 PolarHBondContact O-N 3.45Å; L11-N14 WeakPolarHBondContact O-CB 3.5Å; L11-N14 PolarHBondContact O-N 3.34Å; N14-S16 PolarHBondContact O-N 3.43Å; N14-S16 WeakPolarHBondContact OD1-CA 3.24Å; N14-S16 WeakPolarHBondContact OD1-CB 3.33Å; N14-S16 PolarHBondContact OD1-N 3.25Å; N14-L17 HydrophobicContact CB-CB 4.13Å; N14-L17 HydrophobicContact CB-CD1 3.97Å; N14-L17 HydrophobicContact CB-CG 4.14Å; N14-L17 PolarHBondContact O-N 3.31Å; N14-L17 PolarHBondContact OD1-N 3.4Å; N14-K18 WeakPolarHBondContact O-CG 3.21Å; N14-K18 PolarHBondContact O-N 2.7Å | ||
| 15 | T | 86.2 | Confident | 80.2 | Confident | 111 Ų | 111 | 61 Ų | 61 | 68% | 0.681 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.3 | -38.5 | -177.6 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | E13 K18 A19 | E13-T15 PolarHBondContact O-N 3Å; T15-K18 PolarHBondContact O-N 3.26Å; T15-A19 WeakPolarHBondContact O-CB 3.39Å; T15-A19 PolarHBondContact O-N 3.33Å |
| 16 | S | 88.3 | Confident | 82.3 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 177.8 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | N14 A19 L20 F32 | N14-S16 PolarHBondContact O-N 3.43Å; N14-S16 WeakPolarHBondContact OD1-CA 3.24Å; N14-S16 WeakPolarHBondContact OD1-CB 3.33Å; N14-S16 PolarHBondContact OD1-N 3.25Å; S16-A19 PolarHBondContact O-N 2.64Å; S16-L20 PolarHBondContact O-N 3.36Å; S16-F32 WeakPolarHBondContact O-CZ 3.42Å |
| 17 | L | 89.5 | Confident | 84.1 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 174.2 | -69.3 | 176.4 | 0 | 0 | 0 | 111.7 | M1 L11 N14 A19 L20 V21 L36 L60 M109 | M1-L17 HydrophobicContact CB-CD1 4.21Å; M1-L17 HydrophobicContact CB-CD2 4.24Å; M1-L17 HydrophobicContact CB-CG 4.39Å; M1-L17 HydrophobicContact CG-CD1 4.14Å; L11-L17 HydrophobicContact CB-CD1 4.27Å; L11-L17 HydrophobicContact CD2-CD1 3.82Å; N14-L17 HydrophobicContact CB-CB 4.13Å; N14-L17 HydrophobicContact CB-CD1 3.97Å; N14-L17 HydrophobicContact CB-CG 4.14Å; N14-L17 PolarHBondContact O-N 3.31Å; N14-L17 PolarHBondContact OD1-N 3.4Å; L17-A19 VanDerWaalsContact C-N 3.29Å; L17-A19 PolarHBondContact O-N 3.3Å; L17-L20 HydrophobicContact CD2-CD2 4.44Å; L17-L20 WeakPolarHBondContact O-CB 3.05Å; L17-L20 PolarHBondContact O-N 3.03Å; L17-V21 WeakPolarHBondContact O-CG2 3.05Å; L17-V21 PolarHBondContact O-N 3.48Å; L17-V21 VanDerWaalsContact O-N 3.11Å; L17-L36 HydrophobicContact CD2-CD1 4.13Å; L17-L60 HydrophobicContact CB-CD1 4.23Å; L17-L60 HydrophobicContact CD1-CD1 4.06Å; L17-M109 HydrophobicContact CD2-CE 3.67Å |
| 18 | K | 90.9 | Very high | 85.2 | Confident | 94 Ų | 94 | 58.8 Ų | 58.8 | 41% | 0.409 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 173 | -71.8 | -177.2 | -175.1 | 175.8 | 0 | 112.1 | S12 E13 N14 T15 G22 | S12-K18 WeakPolarHBondContact O-CE 3.48Å; E13-K18 IonicContact OE2-NZ 3.88Å; E13-K18 PolarHBondContact OE2-NZ 2.82Å; N14-K18 WeakPolarHBondContact O-CG 3.21Å; N14-K18 PolarHBondContact O-N 2.7Å; T15-K18 PolarHBondContact O-N 3.26Å; K18-G22 WeakPolarHBondContact O-CA 3.08Å; K18-G22 PolarHBondContact O-N 2.8Å; K18-G22 VanDerWaalsContact O-N 3.09Å |
| 19 | A | 92.9 | Very high | 86.4 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T15 S16 L17 V21 G22 F32 | T15-A19 WeakPolarHBondContact O-CB 3.39Å; T15-A19 PolarHBondContact O-N 3.33Å; S16-A19 PolarHBondContact O-N 2.64Å; L17-A19 VanDerWaalsContact C-N 3.29Å; L17-A19 PolarHBondContact O-N 3.3Å; A19-V21 VanDerWaalsContact C-N 3.31Å; A19-V21 PolarHBondContact O-N 3.12Å; A19-G22 PolarHBondContact O-N 2.81Å; A19-G22 VanDerWaalsContact O-N 3.08Å; A19-F32 HydrophobicContact CB-CE2 3.88Å; A19-F32 HydrophobicContact CB-CZ 4.27Å |
| 20 | L | 93.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.9 | -45.4 | 177.2 | 178.6 | 69.4 | 0 | 0 | 0 | 112.2 | S16 L17 G22 F32 W33 L36 N73 M109 | S16-L20 PolarHBondContact O-N 3.36Å; L17-L20 HydrophobicContact CD2-CD2 4.44Å; L17-L20 WeakPolarHBondContact O-CB 3.05Å; L17-L20 PolarHBondContact O-N 3.03Å; L20-G22 VanDerWaalsContact C-N 3.31Å; L20-F32 HydrophobicContact CB-CZ 4.32Å; L20-W33 HydrophobicContact CD1-CH2 3.64Å; L20-W33 HydrophobicContact CD1-CZ3 3.75Å; L20-L36 HydrophobicContact CD1-CD2 4.36Å; L20-L36 HydrophobicContact CD2-CD2 4.3Å; L20-N73 HydrophobicContact CD1-CB 4.26Å; L20-N73 WeakPolarHBondContact O-CB 3.46Å; L20-N73 PolarHBondContact O-ND2 3.34Å; L20-M109 HydrophobicContact CD2-CE 3.61Å |
| 21 | V | 95.3 | Very high | 88.7 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 1.2 | -178.4 | -48.7 | 0 | 0 | 0 | 0 | 113.6 | L17 A19 L60 T63 L64 N67 | L17-V21 WeakPolarHBondContact O-CG2 3.05Å; L17-V21 PolarHBondContact O-N 3.48Å; L17-V21 VanDerWaalsContact O-N 3.11Å; A19-V21 VanDerWaalsContact C-N 3.31Å; A19-V21 PolarHBondContact O-N 3.12Å; V21-L60 HydrophobicContact CG1-CB 4.19Å; V21-L60 WeakPolarHBondContact CG1-O 3.37Å; V21-L60 HydrophobicContact CG2-CD2 4.17Å; V21-T63 HydrophobicContact CB-CG2 4.31Å; V21-T63 HydrophobicContact CG2-CG2 4.03Å; V21-L64 HydrophobicContact CB-CB 4.08Å; V21-L64 HydrophobicContact CG1-CB 3.9Å; V21-N67 PolarHBondContact O-ND2 2.99Å |
| 22 | G | 94.1 | Very high | 89.5 | Confident | 19 Ų | 19 | 64.5 Ų | 64.5 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -72.1 | -170.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K18 A19 L20 N67 | K18-G22 WeakPolarHBondContact O-CA 3.08Å; K18-G22 PolarHBondContact O-N 2.8Å; K18-G22 VanDerWaalsContact O-N 3.09Å; A19-G22 PolarHBondContact O-N 2.81Å; A19-G22 VanDerWaalsContact O-N 3.08Å; L20-G22 VanDerWaalsContact C-N 3.31Å; G22-N67 WeakPolarHBondContact O-CB 3.23Å; G22-N67 PolarHBondContact O-ND2 3.28Å |
| 23 | T | 93.7 | Very high | 90.4 | Very high | 117 Ų | 117 | 62 Ų | 62 | 72% | 0.718 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -93.9 | -1.7 | -177.1 | 54 | 0 | 0 | 0 | 0 | 114 | T71 | T23-T71 VanDerWaalsContact C-CG2 3.43Å; T23-T71 WeakPolarHBondContact O-CG2 3.49Å |
| 24 | E | 93.1 | Very high | 90.9 | Very high | 154 Ų | 154 | 59.2 Ų | 59.2 | 72% | 0.72 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -100 | 141.4 | 179.9 | -63.4 | -175.4 | 173.9 | 0 | 0 | 110.4 | N73 | E24-N73 PolarHBondContact O-ND2 2.86Å; E24-N73 PolarHBondContact O-OD1 3.11Å |
| 25 | S | 91.4 | Very high | 91 | Very high | 69 Ų | 69 | 63.3 Ų | 63.3 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | trans | -79.1 | 130.5 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | T71 N73 | S25-T71 VanDerWaalsContact CB-O 3.29Å; S25-T71 WeakPolarHBondContact CB-O 3.48Å; S25-N73 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 26 | I | 93.3 | Very high | 91.1 | Very high | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | trans | -106.3 | 120.7 | 178 | -54.2 | 175.2 | 0 | 0 | 0 | 108.6 | D30 F32 W33 N73 | I26-D30 HydrophobicContact CG2-CB 3.98Å; I26-F32 HydrophobicContact CD1-CD1 3.92Å; I26-F32 HydrophobicContact CD1-CE1 3.53Å; I26-F32 HydrophobicContact CD1-CE2 4.4Å; I26-F32 HydrophobicContact CD1-CG 4.48Å; I26-F32 HydrophobicContact CD1-CZ 3.81Å; I26-F32 HydrophobicContact CG2-CB 4.39Å; I26-F32 HydrophobicContact CG2-CD1 3.72Å; I26-F32 HydrophobicContact CG2-CE1 4.32Å; I26-F32 HydrophobicContact CG2-CG 4.25Å; I26-W33 HydrophobicContact CB-CZ2 4.08Å; I26-W33 HydrophobicContact CG2-CZ2 3.75Å; I26-N73 PolarHBondContact N-OD1 3.27Å | ||
| 27 | S | 90.6 | Very high | 91.2 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 46% | 0.462 | 32% | 0.322 | S | S | . | . | trans | -65.4 | 143.2 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | N29 D30 W33 | S27-N29 PolarHBondContact O-N 3.25Å; S27-N29 VanDerWaalsContact O-N 3.12Å; S27-N29 PolarHBondContact OG-N 3.27Å; S27-D30 VanDerWaalsContact O-CB 3.24Å; S27-D30 WeakPolarHBondContact O-CB 3.46Å; S27-D30 PolarHBondContact O-N 3.4Å; S27-W33 PolarHBondContact O-NE1 3.18Å | ||
| 28 | E | 86.9 | Confident | 91 | Very high | 90 Ų | 90 | 58.3 Ų | 58.3 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.1 | 174.2 | 64 | -175.4 | -166 | 0 | 0 | 113.6 | R79 V80 | E28-R79 WeakPolarHBondContact OE2-CB 3.3Å; E28-R79 WeakPolarHBondContact OE2-CD 3.2Å; E28-V80 HydrophobicContact CB-CG2 4.28Å; E28-V80 WeakPolarHBondContact O-CG2 3.41Å |
| 29 | N | 89.3 | Confident | 90.6 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 71% | 0.711 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1.9 | 179.4 | -64.8 | -57.7 | 0 | 0 | 0 | 113.5 | S27 | S27-N29 PolarHBondContact O-N 3.25Å; S27-N29 VanDerWaalsContact O-N 3.12Å; S27-N29 PolarHBondContact OG-N 3.27Å |
| 30 | D | 92.6 | Very high | 89.7 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | trans | -70.9 | 133.4 | -177 | -162.6 | -64.8 | 0 | 0 | 0 | 111.8 | I26 S27 F32 W33 | I26-D30 HydrophobicContact CG2-CB 3.98Å; S27-D30 VanDerWaalsContact O-CB 3.24Å; S27-D30 WeakPolarHBondContact O-CB 3.46Å; S27-D30 PolarHBondContact O-N 3.4Å; D30-F32 HydrophobicContact CB-CB 4.22Å; D30-F32 PolarHBondContact O-N 3.23Å; D30-F32 WeakPolarHBondContact OD1-CB 3.4Å; D30-F32 PolarHBondContact OD1-N 2.96Å; D30-W33 PolarHBondContact O-N 3.22Å | ||
| 31 | P | 90.3 | Very high | 88.6 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 62% | 0.617 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -20.7 | 174.1 | -25.8 | 34.8 | 0 | 0 | 0 | 114.8 | W33 N34 | P31-W33 PolarHBondContact O-N 3.21Å; P31-W33 VanDerWaalsContact O-N 3.16Å; P31-N34 PolarHBondContact O-N 3.15Å; P31-N34 VanDerWaalsContact O-N 3.09Å |
| 32 | F | 92.4 | Very high | 87.3 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -43.1 | -43.9 | 171.5 | 168.6 | -97.8 | 0 | 0 | 0 | 112.6 | S16 A19 L20 I26 D30 N34 Q35 L36 | S16-F32 WeakPolarHBondContact O-CZ 3.42Å; A19-F32 HydrophobicContact CB-CE2 3.88Å; A19-F32 HydrophobicContact CB-CZ 4.27Å; L20-F32 HydrophobicContact CB-CZ 4.32Å; I26-F32 HydrophobicContact CD1-CD1 3.92Å; I26-F32 HydrophobicContact CD1-CE1 3.53Å; I26-F32 HydrophobicContact CD1-CE2 4.4Å; I26-F32 HydrophobicContact CD1-CG 4.48Å; I26-F32 HydrophobicContact CD1-CZ 3.81Å; I26-F32 HydrophobicContact CG2-CB 4.39Å; I26-F32 HydrophobicContact CG2-CD1 3.72Å; I26-F32 HydrophobicContact CG2-CE1 4.32Å; I26-F32 HydrophobicContact CG2-CG 4.25Å; D30-F32 HydrophobicContact CB-CB 4.22Å; D30-F32 PolarHBondContact O-N 3.23Å; D30-F32 WeakPolarHBondContact OD1-CB 3.4Å; D30-F32 PolarHBondContact OD1-N 2.96Å; F32-N34 VanDerWaalsContact C-N 3.32Å; F32-N34 PolarHBondContact O-N 3.34Å; F32-Q35 PolarHBondContact O-N 2.98Å; F32-Q35 VanDerWaalsContact O-N 3.1Å; F32-L36 HydrophobicContact CE1-CB 4.23Å; F32-L36 HydrophobicContact CE1-CD2 3.69Å; F32-L36 HydrophobicContact CE1-CG 4.43Å; F32-L36 HydrophobicContact CZ-CB 4.29Å; F32-L36 HydrophobicContact CZ-CD1 4.16Å; F32-L36 HydrophobicContact CZ-CD2 3.95Å; F32-L36 HydrophobicContact CZ-CG 4.37Å; F32-L36 PolarHBondContact O-N 3.1Å |
| 33 | W | 92.6 | Very high | 86.2 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.011 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.4 | -40.4 | -176.5 | -63.8 | 113.4 | 0 | 0 | 0 | 112.4 | L20 I26 S27 D30 P31 Q35 L36 I37 A76 L77 V80 | L20-W33 HydrophobicContact CD1-CH2 3.64Å; L20-W33 HydrophobicContact CD1-CZ3 3.75Å; I26-W33 HydrophobicContact CB-CZ2 4.08Å; I26-W33 HydrophobicContact CG2-CZ2 3.75Å; S27-W33 PolarHBondContact O-NE1 3.18Å; D30-W33 PolarHBondContact O-N 3.22Å; P31-W33 PolarHBondContact O-N 3.21Å; P31-W33 VanDerWaalsContact O-N 3.16Å; W33-Q35 VanDerWaalsContact C-N 3.26Å; W33-Q35 PolarHBondContact O-N 3.03Å; W33-L36 HydrophobicContact CE3-CD2 3.84Å; W33-L36 HydrophobicContact CZ3-CD2 3.75Å; W33-L36 PolarHBondContact O-N 2.8Å; W33-I37 WeakPolarHBondContact O-CG1 3.35Å; W33-I37 PolarHBondContact O-N 3.09Å; W33-A76 HydrophobicContact CH2-CB 4.28Å; W33-A76 HydrophobicContact CZ2-CB 3.65Å; W33-L77 HydrophobicContact CE3-CD1 4.22Å; W33-L77 HydrophobicContact CH2-CB 3.88Å; W33-L77 HydrophobicContact CZ3-CB 3.78Å; W33-L77 HydrophobicContact CZ3-CD1 3.82Å; W33-L77 HydrophobicContact CZ3-CG 4.36Å; W33-V80 HydrophobicContact CB-CG1 4.11Å; W33-V80 HydrophobicContact CB-CG2 4.34Å; W33-V80 HydrophobicContact CD2-CG2 3.86Å; W33-V80 HydrophobicContact CG-CG1 4.27Å; W33-V80 HydrophobicContact CG-CG2 3.7Å |
| 34 | N | 87.7 | Confident | 85.2 | Confident | 70 Ų | 70 | 57 Ų | 57 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.5 | -34.2 | 178.7 | -65.6 | -32.9 | 0 | 0 | 0 | 111.6 | P31 F32 S38 R84 | P31-N34 PolarHBondContact O-N 3.15Å; P31-N34 VanDerWaalsContact O-N 3.09Å; F32-N34 VanDerWaalsContact C-N 3.32Å; F32-N34 PolarHBondContact O-N 3.34Å; N34-S38 VanDerWaalsContact O-CB 3.23Å; N34-S38 WeakPolarHBondContact O-CB 3.24Å; N34-S38 PolarHBondContact O-OG 2.7Å; N34-R84 PolarHBondContact OD1-NH2 3.25Å |
| 35 | Q | 87 | Confident | 84 | Confident | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.1 | -41.3 | 175.8 | -174.4 | 179.7 | 0.6 | 0 | 0 | 111.8 | G2 F32 W33 | G2-Q35 WeakPolarHBondContact CA-O 3.39Å; F32-Q35 PolarHBondContact O-N 2.98Å; F32-Q35 VanDerWaalsContact O-N 3.1Å; W33-Q35 VanDerWaalsContact C-N 3.26Å; W33-Q35 PolarHBondContact O-N 3.03Å |
| 36 | L | 88.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -49.8 | -179.2 | -176.2 | 73.8 | 0 | 0 | 0 | 111.1 | M1 L17 L20 F32 W33 S38 F39 M109 | M1-L36 CarbonylContact C-O 3.59Å; M1-L36 WeakPolarHBondContact O-CD1 3.42Å; L17-L36 HydrophobicContact CD2-CD1 4.13Å; L20-L36 HydrophobicContact CD1-CD2 4.36Å; L20-L36 HydrophobicContact CD2-CD2 4.3Å; F32-L36 HydrophobicContact CE1-CB 4.23Å; F32-L36 HydrophobicContact CE1-CD2 3.69Å; F32-L36 HydrophobicContact CE1-CG 4.43Å; F32-L36 HydrophobicContact CZ-CB 4.29Å; F32-L36 HydrophobicContact CZ-CD1 4.16Å; F32-L36 HydrophobicContact CZ-CD2 3.95Å; F32-L36 HydrophobicContact CZ-CG 4.37Å; F32-L36 PolarHBondContact O-N 3.1Å; W33-L36 HydrophobicContact CE3-CD2 3.84Å; W33-L36 HydrophobicContact CZ3-CD2 3.75Å; W33-L36 PolarHBondContact O-N 2.8Å; L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.84Å; L36-F39 WeakPolarHBondContact O-CD1 3.21Å; L36-M109 HydrophobicContact CD1-CE 4.2Å; L36-M109 HydrophobicContact CD2-CE 3.8Å; L36-M109 HydrophobicContact CD2-SD 4.23Å; L36-M109 HydrophobicContact CG-CE 4.05Å; L36-M109 HydrophobicContact CG-SD 4.12Å |
| 37 | I | 89.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 5.4 | -172.5 | 74.6 | -165.3 | 0 | 0 | 0 | 113.7 | W33 F39 V80 Q102 N105 A106 | W33-I37 WeakPolarHBondContact O-CG1 3.35Å; W33-I37 PolarHBondContact O-N 3.09Å; I37-F39 PolarHBondContact O-N 3.41Å; I37-V80 HydrophobicContact CD1-CG1 4.3Å; I37-Q102 HydrophobicContact CD1-CB 3.86Å; I37-Q102 HydrophobicContact CD1-CG 4.25Å; I37-Q102 HydrophobicContact CG1-CB 3.91Å; I37-Q102 HydrophobicContact CG1-CG 3.92Å; I37-N105 HydrophobicContact CB-CB 4.35Å; I37-N105 WeakPolarHBondContact O-CB 3.24Å; I37-N105 PolarHBondContact O-ND2 3.31Å; I37-A106 HydrophobicContact CG2-CB 4.12Å |
| 38 | S | 85.7 | Confident | 81.8 | Confident | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 31% | 0.308 | C | S | . | . | trans | -99.3 | 42.7 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | N34 L36 W101 Q102 | N34-S38 VanDerWaalsContact O-CB 3.23Å; N34-S38 WeakPolarHBondContact O-CB 3.24Å; N34-S38 PolarHBondContact O-OG 2.7Å; L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.84Å; S38-W101 VanDerWaalsContact C-CZ2 3.5Å; S38-W101 VanDerWaalsContact O-CH2 3.27Å; S38-W101 WeakPolarHBondContact O-CH2 3.28Å; S38-Q102 PolarHBondContact OG-NE2 3.41Å; S38-Q102 VanDerWaalsContact OG-NE2 3.1Å | ||
| 39 | F | 82.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | trans | -92.7 | 147.4 | 177.1 | 61.7 | -99.4 | 0 | 0 | 0 | 112.2 | M1 L36 I37 F41 W101 N105 F108 M109 | M1-F39 HydrophobicContact CB-CB 4.32Å; M1-F39 HydrophobicContact CB-CD1 3.57Å; M1-F39 HydrophobicContact CB-CE1 4.02Å; M1-F39 HydrophobicContact CB-CG 3.98Å; M1-F39 HydrophobicContact CE-CD1 3.9Å; M1-F39 HydrophobicContact CE-CD2 4.11Å; M1-F39 HydrophobicContact CE-CE1 3.25Å; M1-F39 HydrophobicContact CE-CE2 3.49Å; M1-F39 VanDerWaalsContact CE-CE2 3.49Å; M1-F39 HydrophobicContact CE-CG 4.29Å; M1-F39 HydrophobicContact CE-CZ 3.02Å; M1-F39 HydrophobicContact CG-CD1 4.28Å; M1-F39 HydrophobicContact CG-CE1 4.47Å; M1-F39 HydrophobicContact CG-CG 4.41Å; M1-F39 HydrophobicContact SD-CD1 3.81Å; M1-F39 HydrophobicContact SD-CD2 3.5Å; M1-F39 WeakPolarHBondContact SD-CD2 3.46Å; M1-F39 HydrophobicContact SD-CE1 3.78Å; M1-F39 HydrophobicContact SD-CE2 3.46Å; M1-F39 WeakPolarHBondContact SD-CE2 3.37Å; M1-F39 HydrophobicContact SD-CG 3.67Å; M1-F39 HydrophobicContact SD-CZ 3.62Å; L36-F39 WeakPolarHBondContact O-CD1 3.21Å; I37-F39 PolarHBondContact O-N 3.41Å; F39-F41 HydrophobicContact CD2-CB 3.58Å; F39-F41 HydrophobicContact CE2-CB 4.11Å; F39-F41 HydrophobicContact CG-CB 4.48Å; F39-W101 VanDerWaalsContact C-CZ2 3.46Å; F39-W101 VanDerWaalsContact O-CE2 3.3Å; F39-W101 WeakPolarHBondContact O-CZ2 3.3Å; F39-W101 PolarHBondContact O-NE1 3.06Å; F39-N105 HydrophobicContact CD1-CB 4.2Å; F39-N105 HydrophobicContact CE1-CB 3.45Å; F39-N105 VanDerWaalsContact CE1-CB 3.45Å; F39-N105 HydrophobicContact CE2-CB 4.02Å; F39-N105 WeakPolarHBondContact CE2-OD1 3.41Å; F39-N105 HydrophobicContact CZ-CB 3.33Å; F39-N105 WeakPolarHBondContact CZ-OD1 3.29Å; F39-N105 PolarHBondContact O-ND2 3.27Å; F39-F108 HydrophobicContact CE2-CD1 4.4Å; F39-F108 HydrophobicContact CZ-CD1 4.08Å; F39-M109 HydrophobicContact CE1-CG 4.04Å; F39-M109 HydrophobicContact CE1-SD 3.91Å; F39-M109 HydrophobicContact CZ-CG 4.36Å | ||
| 40 | T | 74.2 | Confident | 81.3 | Confident | 72 Ų | 72 | 47.5 Ų | 47.5 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | trans | -98.3 | 10.6 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | I42 W101 | T40-I42 PolarHBondContact O-N 2.89Å; T40-W101 HydrophobicContact CG2-CZ2 4.03Å | ||
| 41 | F | 70.6 | Confident | 81.1 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 129.4 | 174.8 | 179.1 | -99.1 | 0 | 0 | 0 | 111.1 | M1 V8 F39 P44 L53 F108 | M1-F41 HydrophobicContact SD-CB 3.91Å; M1-F41 HydrophobicContact SD-CD1 3.95Å; M1-F41 HydrophobicContact SD-CG 4.07Å; V8-F41 HydrophobicContact CG2-CE2 3.42Å; V8-F41 VanDerWaalsContact CG2-CE2 3.42Å; V8-F41 HydrophobicContact CG2-CZ 3.7Å; F39-F41 HydrophobicContact CD2-CB 3.58Å; F39-F41 HydrophobicContact CE2-CB 4.11Å; F39-F41 HydrophobicContact CG-CB 4.48Å; F41-P44 HydrophobicContact CZ-CG 4.34Å; F41-L53 HydrophobicContact CE1-CD1 4.25Å; F41-L53 HydrophobicContact CE1-CD2 4.47Å; F41-L53 HydrophobicContact CZ-CD1 4.2Å; F41-F108 HydrophobicContact CD1-CE1 4.01Å; F41-F108 HydrophobicContact CD1-CZ 4.09Å; F41-F108 HydrophobicContact CE1-CE1 4.01Å; F41-F108 AromaticContact CE1-CZ 3.69Å; F41-F108 HydrophobicContact CE1-CZ 3.69Å |
| 42 | I | 68.6 | Low | 80.9 | Confident | 122 Ų | 122 | 48.4 Ų | 48.4 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -90.8 | 128.6 | -179.7 | -58.9 | 175.8 | 0 | 0 | 0 | 108.8 | T40 | T40-I42 PolarHBondContact O-N 2.89Š|
| 43 | S | 70.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 128 | 176.4 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | T45 F108 | S43-T45 PolarHBondContact O-N 2.85Å; S43-F108 WeakPolarHBondContact OG-CE2 3.19Å |
| 44 | P | 73 | Confident | 80.5 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 132.5 | 178 | -26.9 | 35.2 | 0 | 0 | 0 | 111.8 | F41 D49 L53 G653 | F41-P44 HydrophobicContact CZ-CG 4.34Å; P44-D49 HydrophobicContact CB-CB 3.79Å; P44-D49 HydrophobicContact CG-CB 4.29Å; P44-L53 HydrophobicContact CG-CB 4.22Å; P44-L53 HydrophobicContact CG-CD2 3.8Å; P44-G653 WeakPolarHBondContact O-CA 3.39Å |
| 45 | T | 68.9 | Low | 80.6 | Confident | 69 Ų | 69 | 50 Ų | 50 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | trans | -103.1 | -14.1 | 174.7 | 53.8 | 0 | 0 | 0 | 0 | 113 | S43 G653 | S43-T45 PolarHBondContact O-N 2.85Å; T45-G653 PolarHBondContact O-N 3.45Å | ||
| 46 | N | 74.1 | Confident | 80.7 | Confident | 70 Ų | 70 | 46 Ų | 46 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -113.3 | 157.6 | 176.5 | 70.6 | 74.6 | 0 | 0 | 0 | 111.8 | G48 D49 S50 | N46-G48 PolarHBondContact O-N 3.33Å; N46-G48 PolarHBondContact OD1-N 2.94Å; N46-G48 VanDerWaalsContact OD1-N 3.17Å; N46-D49 PolarHBondContact ND2-OD2 3.13Å; N46-D49 PolarHBondContact OD1-N 3.47Å; N46-S50 WeakPolarHBondContact O-CB 3.48Å; N46-S50 PolarHBondContact O-N 3.18Å; N46-S50 VanDerWaalsContact O-N 3.14Å |
| 47 | S | 74.6 | Confident | 80.9 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.5 | -34.1 | -175.7 | -176.8 | 0 | 0 | 0 | 0 | 113.3 | S50 K51 | S47-S50 PolarHBondContact O-N 3.35Å; S47-K51 WeakPolarHBondContact O-CB 3.46Å; S47-K51 PolarHBondContact O-N 3.31Å |
| 48 | G | 78.6 | Confident | 81.1 | Confident | 42 Ų | 42 | 48 Ų | 48 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -49.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | N46 S50 K51 L52 | N46-G48 PolarHBondContact O-N 3.33Å; N46-G48 PolarHBondContact OD1-N 2.94Å; N46-G48 VanDerWaalsContact OD1-N 3.17Å; G48-S50 VanDerWaalsContact C-N 3.31Å; G48-S50 PolarHBondContact O-N 2.83Å; G48-K51 WeakPolarHBondContact O-CB 3.38Å; G48-K51 PolarHBondContact O-N 3.02Å; G48-L52 PolarHBondContact O-N 2.99Å |
| 49 | D | 81.8 | Confident | 81.5 | Confident | 80 Ų | 80 | 50.4 Ų | 50.4 | 43% | 0.428 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67 | -35.2 | 176.7 | -68.4 | -21.7 | 0 | 0 | 0 | 111.5 | P44 N46 K51 L52 L53 | P44-D49 HydrophobicContact CB-CB 3.79Å; P44-D49 HydrophobicContact CG-CB 4.29Å; N46-D49 PolarHBondContact ND2-OD2 3.13Å; N46-D49 PolarHBondContact OD1-N 3.47Å; D49-K51 VanDerWaalsContact C-N 3.32Å; D49-K51 PolarHBondContact O-N 3.26Å; D49-L52 PolarHBondContact O-N 3.3Å; D49-L53 PolarHBondContact O-N 3.37Å |
| 50 | S | 84.9 | Confident | 82.1 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -35.4 | 175.9 | -161.2 | 0 | 0 | 0 | 0 | 112 | N46 S47 G48 L53 E54 G653 H655 | N46-S50 WeakPolarHBondContact O-CB 3.48Å; N46-S50 PolarHBondContact O-N 3.18Å; N46-S50 VanDerWaalsContact O-N 3.14Å; S47-S50 PolarHBondContact O-N 3.35Å; G48-S50 VanDerWaalsContact C-N 3.31Å; G48-S50 PolarHBondContact O-N 2.83Å; S50-L53 PolarHBondContact O-N 2.88Å; S50-E54 WeakPolarHBondContact O-CB 3.35Å; S50-E54 PolarHBondContact O-N 3.4Å; S50-G653 PolarHBondContact OG-O 3.43Å; S50-H655 PolarHBondContact OG-N 2.97Å |
| 51 | K | 87.9 | Confident | 83.1 | Confident | 95 Ų | 95 | 48 Ų | 48 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 172.4 | -178.6 | 177.6 | 175 | 179.8 | 0 | 112.1 | S47 G48 D49 L53 E54 E55 H655 | S47-K51 WeakPolarHBondContact O-CB 3.46Å; S47-K51 PolarHBondContact O-N 3.31Å; G48-K51 WeakPolarHBondContact O-CB 3.38Å; G48-K51 PolarHBondContact O-N 3.02Å; D49-K51 VanDerWaalsContact C-N 3.32Å; D49-K51 PolarHBondContact O-N 3.26Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 2.88Å; K51-E54 PolarHBondContact O-N 3.13Å; K51-E54 VanDerWaalsContact O-N 3.17Å; K51-E55 WeakPolarHBondContact CE-OE1 3.28Å; K51-E55 WeakPolarHBondContact O-CG 3.48Å; K51-E55 PolarHBondContact O-N 2.74Å; K51-H655 HydrophobicContact CB-CB 4.19Å |
| 52 | L | 87.1 | Confident | 84.3 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 48% | 0.482 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 178.2 | -68.2 | 175 | 0 | 0 | 0 | 111.6 | V8 G48 D49 E55 A56 | V8-L52 HydrophobicContact CG1-CB 4.31Å; G48-L52 PolarHBondContact O-N 2.99Å; D49-L52 PolarHBondContact O-N 3.3Å; L52-E55 PolarHBondContact O-N 3.17Å; L52-A56 PolarHBondContact O-N 3.38Å; L52-A56 VanDerWaalsContact O-N 3.14Å |
| 53 | L | 87.7 | Confident | 85.6 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.2 | 176.6 | 66.4 | 0 | 0 | 0 | 111.3 | V8 L11 F41 P44 D49 S50 K51 A56 V57 F108 | V8-L53 HydrophobicContact CG1-CB 4.46Å; L11-L53 HydrophobicContact CD1-CD1 3.73Å; F41-L53 HydrophobicContact CE1-CD1 4.25Å; F41-L53 HydrophobicContact CE1-CD2 4.47Å; F41-L53 HydrophobicContact CZ-CD1 4.2Å; P44-L53 HydrophobicContact CG-CB 4.22Å; P44-L53 HydrophobicContact CG-CD2 3.8Å; D49-L53 PolarHBondContact O-N 3.37Å; S50-L53 PolarHBondContact O-N 2.88Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 2.88Å; L53-A56 PolarHBondContact O-N 3.47Å; L53-V57 HydrophobicContact CD1-CG2 3.98Å; L53-V57 HydrophobicContact CG-CG2 4.28Å; L53-V57 WeakPolarHBondContact O-CB 3.4Å; L53-V57 VanDerWaalsContact O-CG2 3.25Å; L53-V57 WeakPolarHBondContact O-CG2 3.29Å; L53-V57 PolarHBondContact O-N 3.42Å; L53-F108 HydrophobicContact CD2-CE1 4.47Å; L53-F108 HydrophobicContact CD2-CE2 4.25Å; L53-F108 HydrophobicContact CD2-CZ 3.57Å |
| 54 | E | 88.4 | Confident | 86.8 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 178.3 | -177.8 | 169 | -159.4 | 0 | 0 | 112 | S50 K51 A56 V57 V58 K115 R119 H655 | S50-E54 WeakPolarHBondContact O-CB 3.35Å; S50-E54 PolarHBondContact O-N 3.4Å; K51-E54 PolarHBondContact O-N 3.13Å; K51-E54 VanDerWaalsContact O-N 3.17Å; E54-A56 PolarHBondContact O-N 3.42Å; E54-V57 PolarHBondContact O-N 2.94Å; E54-V57 VanDerWaalsContact O-N 3.17Å; E54-V58 HydrophobicContact CG-CG2 4.06Å; E54-V58 WeakPolarHBondContact O-CG2 3.47Å; E54-V58 PolarHBondContact O-N 3.28Å; E54-K115 IonicContact OE1-NZ 2.82Å; E54-K115 PolarHBondContact OE1-NZ 2.94Å; E54-K115 IonicContact OE2-NZ 3.98Å; E54-K115 PolarHBondContact OE2-NZ 2.97Å; E54-R119 IonicContact OE1-NH1 2.85Å; E54-R119 PolarHBondContact OE1-NH1 3.34Å; E54-H655 IonicContact OE2-CE1 3.28Å; E54-H655 IonicContact OE2-CG 2.73Å; E54-H655 IonicContact OE2-ND1 3.05Å; E54-H655 PolarHBondContact OE2-ND1 3.44Å |
| 55 | E | 89.9 | Confident | 87.9 | Confident | 111 Ų | 111 | 47.7 Ų | 47.7 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.7 | -37.3 | 176.6 | -72.6 | 174.8 | -177.6 | 0 | 0 | 112.2 | K51 L52 P59 | K51-E55 WeakPolarHBondContact CE-OE1 3.28Å; K51-E55 WeakPolarHBondContact O-CG 3.48Å; K51-E55 PolarHBondContact O-N 2.74Å; L52-E55 PolarHBondContact O-N 3.17Å; E55-P59 VanDerWaalsContact O-CD 3.27Å; E55-P59 WeakPolarHBondContact O-CD 3.49Å |
| 56 | A | 89.3 | Confident | 89.1 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.6 | -34.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | V8 L11 L52 L53 E54 | V8-A56 HydrophobicContact CG1-CB 4.02Å; L11-A56 HydrophobicContact CB-CB 4.28Å; L11-A56 HydrophobicContact CD1-CB 4.04Å; L52-A56 PolarHBondContact O-N 3.38Å; L52-A56 VanDerWaalsContact O-N 3.14Å; L53-A56 PolarHBondContact O-N 3.47Å; E54-A56 PolarHBondContact O-N 3.42Å |
| 57 | V | 91.4 | Very high | 90.1 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -77.8 | -35.4 | -177.8 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | L53 E54 L60 A61 C112 V116 | L53-V57 HydrophobicContact CD1-CG2 3.98Å; L53-V57 HydrophobicContact CG-CG2 4.28Å; L53-V57 WeakPolarHBondContact O-CB 3.4Å; L53-V57 VanDerWaalsContact O-CG2 3.25Å; L53-V57 WeakPolarHBondContact O-CG2 3.29Å; L53-V57 PolarHBondContact O-N 3.42Å; E54-V57 PolarHBondContact O-N 2.94Å; E54-V57 VanDerWaalsContact O-N 3.17Å; V57-L60 WeakPolarHBondContact O-CB 3.07Å; V57-L60 PolarHBondContact O-N 3.02Å; V57-L60 VanDerWaalsContact O-N 3.12Å; V57-A61 HydrophobicContact CG1-CB 4.39Å; V57-A61 WeakPolarHBondContact O-CB 3.35Å; V57-A61 PolarHBondContact O-N 3.23Å; V57-C112 HydrophobicContact CG1-CB 4.18Å; V57-C112 HydrophobicContact CG2-CB 4.35Å; V57-V116 HydrophobicContact CG1-CG2 4.12Å |
| 58 | V | 93.7 | Very high | 91 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 15% | 0.152 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.1 | -48.1 | -172.8 | 164.3 | 0 | 0 | 0 | 0 | 113.8 | E54 L60 A61 K62 V116 R119 | E54-V58 HydrophobicContact CG-CG2 4.06Å; E54-V58 WeakPolarHBondContact O-CG2 3.47Å; E54-V58 PolarHBondContact O-N 3.28Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 3.02Å; V58-A61 PolarHBondContact O-N 3.32Å; V58-K62 HydrophobicContact CG1-CD 4.3Å; V58-K62 WeakPolarHBondContact O-CG 3.32Å; V58-K62 PolarHBondContact O-N 3.43Å; V58-V116 HydrophobicContact CG2-CG1 4.27Å; V58-V116 HydrophobicContact CG2-CG2 3.82Å; V58-R119 VanDerWaalsContact CG2-NH2 3.34Å |
| 59 | P | 94.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.5 | -22.8 | 33.9 | 0 | 0 | 0 | 113.4 | E55 T63 | E55-P59 VanDerWaalsContact O-CD 3.27Å; E55-P59 WeakPolarHBondContact O-CD 3.49Å; P59-T63 PolarHBondContact O-N 3.28Å; P59-T63 VanDerWaalsContact O-N 3.16Å; P59-T63 PolarHBondContact O-OG1 2.93Å |
| 60 | L | 94.5 | Very high | 91.9 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.12 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.5 | -47.8 | 177.9 | -66 | 172.8 | 0 | 0 | 0 | 110.5 | L17 V21 V57 V58 K62 T63 L64 | L17-L60 HydrophobicContact CB-CD1 4.23Å; L17-L60 HydrophobicContact CD1-CD1 4.06Å; V21-L60 HydrophobicContact CG1-CB 4.19Å; V21-L60 WeakPolarHBondContact CG1-O 3.37Å; V21-L60 HydrophobicContact CG2-CD2 4.17Å; V57-L60 WeakPolarHBondContact O-CB 3.07Å; V57-L60 PolarHBondContact O-N 3.02Å; V57-L60 VanDerWaalsContact O-N 3.12Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 3.02Å; L60-K62 PolarHBondContact O-N 3.31Å; L60-T63 WeakPolarHBondContact O-CB 2.96Å; L60-T63 PolarHBondContact O-N 3.01Å; L60-L64 PolarHBondContact O-N 3.46Å |
| 61 | A | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V57 V58 T63 L64 I65 L113 V116 F117 | V57-A61 HydrophobicContact CG1-CB 4.39Å; V57-A61 WeakPolarHBondContact O-CB 3.35Å; V57-A61 PolarHBondContact O-N 3.23Å; V58-A61 PolarHBondContact O-N 3.32Å; A61-T63 VanDerWaalsContact C-N 3.29Å; A61-T63 PolarHBondContact O-N 3.45Å; A61-L64 CarbonylContact O-C 3.6Å; A61-L64 WeakPolarHBondContact O-CA 3.48Å; A61-L64 WeakPolarHBondContact O-CB 3.2Å; A61-L64 PolarHBondContact O-N 2.86Å; A61-L64 VanDerWaalsContact O-N 3.07Å; A61-I65 VanDerWaalsContact O-CG1 3.31Å; A61-I65 WeakPolarHBondContact O-CG1 3.49Å; A61-I65 PolarHBondContact O-N 2.72Å; A61-L113 HydrophobicContact CB-CD2 3.97Å; A61-V116 HydrophobicContact CB-CB 3.73Å; A61-V116 HydrophobicContact CB-CG1 3.65Å; A61-V116 HydrophobicContact CB-CG2 4.06Å; A61-F117 HydrophobicContact CB-CE1 4.27Å |
| 62 | K | 95.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 175.8 | -73.8 | -172.3 | -178.7 | -145.4 | 0 | 113.1 | V58 L60 E120 | V58-K62 HydrophobicContact CG1-CD 4.3Å; V58-K62 WeakPolarHBondContact O-CG 3.32Å; V58-K62 PolarHBondContact O-N 3.43Å; L60-K62 PolarHBondContact O-N 3.31Å; K62-E120 VanDerWaalsContact CE-OE1 3.26Å; K62-E120 WeakPolarHBondContact CE-OE1 3.33Å; K62-E120 WeakPolarHBondContact CE-OE2 3.32Å; K62-E120 VanDerWaalsContact NZ-CD 3.34Å; K62-E120 IonicContact NZ-OE1 3.62Å; K62-E120 PolarHBondContact NZ-OE1 3.45Å; K62-E120 IonicContact NZ-OE2 3.3Å; K62-E120 PolarHBondContact NZ-OE2 2.92Å |
| 63 | T | 96.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66 | -42.7 | 174.5 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | V21 P59 L60 A61 Q66 N67 | V21-T63 HydrophobicContact CB-CG2 4.31Å; V21-T63 HydrophobicContact CG2-CG2 4.03Å; P59-T63 PolarHBondContact O-N 3.28Å; P59-T63 VanDerWaalsContact O-N 3.16Å; P59-T63 PolarHBondContact O-OG1 2.93Å; L60-T63 WeakPolarHBondContact O-CB 2.96Å; L60-T63 PolarHBondContact O-N 3.01Å; A61-T63 VanDerWaalsContact C-N 3.29Å; A61-T63 PolarHBondContact O-N 3.45Å; T63-Q66 PolarHBondContact O-N 3.3Å; T63-N67 PolarHBondContact O-N 3.43Å |
| 64 | L | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.2 | -174.9 | 60.5 | 0 | 0 | 0 | 112.2 | V21 L60 A61 Q66 N67 N68 N73 F74 L113 F117 | V21-L64 HydrophobicContact CB-CB 4.08Å; V21-L64 HydrophobicContact CG1-CB 3.9Å; L60-L64 PolarHBondContact O-N 3.46Å; A61-L64 CarbonylContact O-C 3.6Å; A61-L64 WeakPolarHBondContact O-CA 3.48Å; A61-L64 WeakPolarHBondContact O-CB 3.2Å; A61-L64 PolarHBondContact O-N 2.86Å; A61-L64 VanDerWaalsContact O-N 3.07Å; L64-Q66 PolarHBondContact O-N 3.39Å; L64-N67 PolarHBondContact O-N 3.33Å; L64-N67 VanDerWaalsContact O-N 3.14Å; L64-N68 HydrophobicContact CD1-CB 3.9Å; L64-N68 HydrophobicContact CG-CB 4.17Å; L64-N68 WeakPolarHBondContact O-CB 3.37Å; L64-N68 PolarHBondContact O-N 3.13Å; L64-N73 HydrophobicContact CD1-CB 4.36Å; L64-F74 HydrophobicContact CD2-CB 4.31Å; L64-L113 HydrophobicContact CD2-CD1 3.73Å; L64-L113 HydrophobicContact CD2-CD2 3.93Å; L64-L113 HydrophobicContact CD2-CG 4.4Å; L64-F117 HydrophobicContact CD2-CZ 3.97Å; L64-F117 HydrophobicContact CG-CZ 4.26Å |
| 65 | I | 95.4 | Very high | 93.5 | Very high | 36 Ų | 36 | 43.4 Ų | 43.4 | 19% | 0.185 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.7 | -40.6 | 176.9 | -68.6 | 171.8 | 0 | 0 | 0 | 111.3 | A61 P69 F117 E120 M121 | A61-I65 VanDerWaalsContact O-CG1 3.31Å; A61-I65 WeakPolarHBondContact O-CG1 3.49Å; A61-I65 PolarHBondContact O-N 2.72Å; I65-P69 VanDerWaalsContact O-CD 3.25Å; I65-P69 WeakPolarHBondContact O-CD 3.17Å; I65-F117 HydrophobicContact CD1-CD1 3.71Å; I65-F117 HydrophobicContact CD1-CE1 4.06Å; I65-F117 HydrophobicContact CG1-CD1 3.53Å; I65-F117 HydrophobicContact CG1-CE1 3.41Å; I65-F117 VanDerWaalsContact CG1-CE1 3.41Å; I65-F117 HydrophobicContact CG1-CG 4.47Å; I65-F117 HydrophobicContact CG1-CZ 4.28Å; I65-E120 HydrophobicContact CD1-CB 4.09Å; I65-M121 HydrophobicContact CB-CE 4.31Å; I65-M121 HydrophobicContact CD1-CE 3.45Å; I65-M121 VanDerWaalsContact CD1-CE 3.45Å; I65-M121 HydrophobicContact CG1-CE 3.48Å; I65-M121 VanDerWaalsContact CG1-CE 3.48Å; I65-M121 HydrophobicContact CG2-CE 3.88Å |
| 66 | Q | 94.4 | Very high | 93.7 | Very high | 145 Ų | 145 | 38.4 Ų | 38.4 | 68% | 0.678 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -75 | -37.3 | -178.1 | -65.2 | 175.6 | 5.7 | 0 | 0 | 112.7 | T63 L64 | T63-Q66 PolarHBondContact O-N 3.3Å; L64-Q66 PolarHBondContact O-N 3.39Å |
| 67 | N | 94.5 | Very high | 94 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 16% | 0.16 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -92.5 | -32.1 | -172.7 | -68.1 | -24.6 | 0 | 0 | 0 | 113.4 | V21 G22 T63 L64 P69 R70 T71 | V21-N67 PolarHBondContact O-ND2 2.99Å; G22-N67 WeakPolarHBondContact O-CB 3.23Å; G22-N67 PolarHBondContact O-ND2 3.28Å; T63-N67 PolarHBondContact O-N 3.43Å; L64-N67 PolarHBondContact O-N 3.33Å; L64-N67 VanDerWaalsContact O-N 3.14Å; N67-P69 VanDerWaalsContact C-CD 3.47Å; N67-R70 WeakPolarHBondContact O-CA 3.48Å; N67-R70 WeakPolarHBondContact O-CB 3.39Å; N67-R70 PolarHBondContact O-N 3.46Å; N67-T71 HydrophobicContact CB-CG2 4.46Å; N67-T71 PolarHBondContact O-N 2.88Å; N67-T71 PolarHBondContact O-OG1 3Å |
| 68 | N | 94.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -35 | -173 | -177.2 | 65.7 | 0 | 0 | 0 | 114.8 | L64 R70 T71 G72 N73 F74 Q129 | L64-N68 HydrophobicContact CD1-CB 3.9Å; L64-N68 HydrophobicContact CG-CB 4.17Å; L64-N68 WeakPolarHBondContact O-CB 3.37Å; L64-N68 PolarHBondContact O-N 3.13Å; N68-R70 PolarHBondContact O-N 3.43Å; N68-T71 WeakPolarHBondContact CA-OG1 3.45Å; N68-T71 PolarHBondContact O-N 3.39Å; N68-G72 PolarHBondContact O-N 3.4Å; N68-G72 VanDerWaalsContact OD1-C 3.3Å; N68-N73 PolarHBondContact OD1-N 3.16Å; N68-N73 VanDerWaalsContact OD1-N 3.11Å; N68-F74 VanDerWaalsContact OD1-CB 3.24Å; N68-F74 WeakPolarHBondContact OD1-CB 3.45Å; N68-F74 PolarHBondContact OD1-N 2.89Å; N68-Q129 PolarHBondContact ND2-O 2.94Å; N68-Q129 PolarHBondContact ND2-OE1 3.46Å |
| 69 | P | 90 | Very high | 94.3 | Very high | 67 Ų | 67 | 39 Ų | 39 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.8 | -15.3 | 171.8 | -26.9 | 36.3 | 0 | 0 | 0 | 114.4 | I65 N67 F132 | I65-P69 VanDerWaalsContact O-CD 3.25Å; I65-P69 WeakPolarHBondContact O-CD 3.17Å; N67-P69 VanDerWaalsContact C-CD 3.47Å; P69-F132 WeakPolarHBondContact O-CD2 3.16Å |
| 70 | R | 89.6 | Confident | 94.3 | Very high | 202 Ų | 202 | 35.9 Ų | 35.9 | 76% | 0.762 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -108.2 | -33.6 | 176 | -59.5 | 179.4 | -177.2 | 172.9 | 2.4 | 113.3 | N67 N68 F132 | N67-R70 WeakPolarHBondContact O-CA 3.48Å; N67-R70 WeakPolarHBondContact O-CB 3.39Å; N67-R70 PolarHBondContact O-N 3.46Å; N68-R70 PolarHBondContact O-N 3.43Å; R70-F132 VanDerWaalsContact O-CE2 3.3Å; R70-F132 WeakPolarHBondContact O-CE2 3.39Å; R70-F132 WeakPolarHBondContact O-CZ 3.48Å |
| 71 | T | 92.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -95.1 | -29.7 | -174 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | T23 S25 N67 N68 N73 | T23-T71 VanDerWaalsContact C-CG2 3.43Å; T23-T71 WeakPolarHBondContact O-CG2 3.49Å; S25-T71 VanDerWaalsContact CB-O 3.29Å; S25-T71 WeakPolarHBondContact CB-O 3.48Å; N67-T71 HydrophobicContact CB-CG2 4.46Å; N67-T71 PolarHBondContact O-N 2.88Å; N67-T71 PolarHBondContact O-OG1 3Å; N68-T71 WeakPolarHBondContact CA-OG1 3.45Å; N68-T71 PolarHBondContact O-N 3.39Å; T71-N73 PolarHBondContact O-N 2.94Å; T71-N73 PolarHBondContact O-OD1 3.48Å; T71-N73 PolarHBondContact OG1-ND2 2.91Å |
| 72 | G | 91.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | trans | 68.8 | 11.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N68 F74 G75 A76 | N68-G72 PolarHBondContact O-N 3.4Å; N68-G72 VanDerWaalsContact OD1-C 3.3Å; G72-F74 VanDerWaalsContact C-N 3.29Å; G72-F74 PolarHBondContact O-N 3.5Å; G72-G75 PolarHBondContact O-N 2.92Å; G72-G75 VanDerWaalsContact O-N 3.11Å; G72-A76 PolarHBondContact O-N 3.24Å | ||
| 73 | N | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -33.5 | -171.7 | -69.1 | -11.4 | 0 | 0 | 0 | 113.4 | L20 E24 S25 I26 L64 N68 T71 A76 L77 | L20-N73 HydrophobicContact CD1-CB 4.26Å; L20-N73 WeakPolarHBondContact O-CB 3.46Å; L20-N73 PolarHBondContact O-ND2 3.34Å; E24-N73 PolarHBondContact O-ND2 2.86Å; E24-N73 PolarHBondContact O-OD1 3.11Å; S25-N73 WeakPolarHBondContact CA-OD1 3.33Å; I26-N73 PolarHBondContact N-OD1 3.27Å; L64-N73 HydrophobicContact CD1-CB 4.36Å; N68-N73 PolarHBondContact OD1-N 3.16Å; N68-N73 VanDerWaalsContact OD1-N 3.11Å; T71-N73 PolarHBondContact O-N 2.94Å; T71-N73 PolarHBondContact O-OD1 3.48Å; T71-N73 PolarHBondContact OG1-ND2 2.91Å; N73-A76 PolarHBondContact O-N 2.63Å; N73-L77 PolarHBondContact O-N 2.97Å |
| 74 | F | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.5 | -45 | 174.5 | -179.5 | -111.6 | 0 | 0 | 0 | 111.4 | L64 N68 G72 A76 L77 V78 I110 L113 V114 F117 Q129 F130 | L64-F74 HydrophobicContact CD2-CB 4.31Å; N68-F74 VanDerWaalsContact OD1-CB 3.24Å; N68-F74 WeakPolarHBondContact OD1-CB 3.45Å; N68-F74 PolarHBondContact OD1-N 2.89Å; G72-F74 VanDerWaalsContact C-N 3.29Å; G72-F74 PolarHBondContact O-N 3.5Å; F74-A76 VanDerWaalsContact C-N 3.29Å; F74-A76 PolarHBondContact O-N 3.25Å; F74-L77 WeakPolarHBondContact O-CB 3.3Å; F74-L77 PolarHBondContact O-N 2.86Å; F74-V78 HydrophobicContact CE1-CG2 4.19Å; F74-V78 HydrophobicContact CE2-CG2 4.36Å; F74-V78 HydrophobicContact CZ-CG2 4.07Å; F74-V78 WeakPolarHBondContact O-CG2 3.43Å; F74-V78 PolarHBondContact O-N 3.38Å; F74-I110 HydrophobicContact CE2-CG2 4.42Å; F74-I110 HydrophobicContact CZ-CG2 4.41Å; F74-L113 HydrophobicContact CD2-CB 4.5Å; F74-L113 HydrophobicContact CD2-CD1 3.92Å; F74-L113 HydrophobicContact CE2-CB 4.13Å; F74-L113 HydrophobicContact CE2-CD1 4.18Å; F74-V114 HydrophobicContact CE2-CG2 4.28Å; F74-V114 HydrophobicContact CZ-CG2 3.68Å; F74-F117 HydrophobicContact CD1-CE2 4.02Å; F74-F117 HydrophobicContact CD2-CE2 4.02Å; F74-F117 HydrophobicContact CD2-CZ 4.44Å; F74-F117 HydrophobicContact CE1-CE2 4.02Å; F74-F117 HydrophobicContact CE2-CE2 4.04Å; F74-F117 HydrophobicContact CG-CE2 4.02Å; F74-F117 HydrophobicContact CZ-CD2 4.47Å; F74-F117 HydrophobicContact CZ-CE2 4.04Å; F74-Q129 HydrophobicContact CD1-CB 4.27Å; F74-F130 HydrophobicContact CE1-CD1 4.2Å; F74-F130 HydrophobicContact CE1-CD2 4.26Å; F74-F130 AromaticContact CE1-CE1 3.72Å; F74-F130 HydrophobicContact CE1-CE1 3.72Å; F74-F130 AromaticContact CE1-CE2 3.77Å; F74-F130 HydrophobicContact CE1-CE2 3.77Å; F74-F130 HydrophobicContact CE1-CG 4.45Å; F74-F130 AromaticContact CE1-CZ 3.48Å; F74-F130 HydrophobicContact CE1-CZ 3.48Å; F74-F130 VanDerWaalsContact CE1-CZ 3.48Å; F74-F130 HydrophobicContact CZ-CE1 4.24Å; F74-F130 HydrophobicContact CZ-CE2 4.47Å; F74-F130 AromaticContact CZ-CZ 3.9Å; F74-F130 HydrophobicContact CZ-CZ 3.9Å |
| 75 | G | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G72 V78 R79 | G72-G75 PolarHBondContact O-N 2.92Å; G72-G75 VanDerWaalsContact O-N 3.11Å; G75-V78 PolarHBondContact O-N 2.95Å; G75-R79 WeakPolarHBondContact O-CG 3.25Å; G75-R79 PolarHBondContact O-N 3.15Å |
| 76 | A | 94.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W33 G72 N73 F74 V78 R79 V80 | W33-A76 HydrophobicContact CH2-CB 4.28Å; W33-A76 HydrophobicContact CZ2-CB 3.65Å; G72-A76 PolarHBondContact O-N 3.24Å; N73-A76 PolarHBondContact O-N 2.63Å; F74-A76 VanDerWaalsContact C-N 3.29Å; F74-A76 PolarHBondContact O-N 3.25Å; A76-V78 VanDerWaalsContact C-N 3.32Å; A76-V78 PolarHBondContact O-N 3.05Å; A76-R79 PolarHBondContact O-N 2.85Å; A76-V80 VanDerWaalsContact O-CG2 3.3Å; A76-V80 WeakPolarHBondContact O-CG2 3.3Å; A76-V80 PolarHBondContact O-N 2.87Å |
| 77 | L | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 174.1 | 173.9 | 62.5 | 0 | 0 | 0 | 111.9 | W33 N73 F74 V80 F81 A106 M109 I110 L113 | W33-L77 HydrophobicContact CE3-CD1 4.22Å; W33-L77 HydrophobicContact CH2-CB 3.88Å; W33-L77 HydrophobicContact CZ3-CB 3.78Å; W33-L77 HydrophobicContact CZ3-CD1 3.82Å; W33-L77 HydrophobicContact CZ3-CG 4.36Å; N73-L77 PolarHBondContact O-N 2.97Å; F74-L77 WeakPolarHBondContact O-CB 3.3Å; F74-L77 PolarHBondContact O-N 2.86Å; L77-V80 PolarHBondContact O-N 3.15Å; L77-F81 PolarHBondContact O-N 3.46Å; L77-A106 HydrophobicContact CD1-CB 4.38Å; L77-M109 HydrophobicContact CD2-CB 4.19Å; L77-I110 HydrophobicContact CD2-CG1 3.91Å; L77-I110 HydrophobicContact CG-CD1 4.35Å; L77-I110 HydrophobicContact CG-CG1 3.89Å; L77-L113 HydrophobicContact CD2-CD1 4.03Å |
| 78 | V | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | F74 G75 A76 V80 F81 L82 I110 F130 L148 L152 | F74-V78 HydrophobicContact CE1-CG2 4.19Å; F74-V78 HydrophobicContact CE2-CG2 4.36Å; F74-V78 HydrophobicContact CZ-CG2 4.07Å; F74-V78 WeakPolarHBondContact O-CG2 3.43Å; F74-V78 PolarHBondContact O-N 3.38Å; G75-V78 PolarHBondContact O-N 2.95Å; A76-V78 VanDerWaalsContact C-N 3.32Å; A76-V78 PolarHBondContact O-N 3.05Å; V78-V80 VanDerWaalsContact C-N 3.34Å; V78-V80 PolarHBondContact O-N 3.01Å; V78-F81 WeakPolarHBondContact O-CB 3.31Å; V78-F81 PolarHBondContact O-N 2.89Å; V78-L82 HydrophobicContact CG1-CD1 4.03Å; V78-L82 HydrophobicContact CG1-CG 4.39Å; V78-L82 VanDerWaalsContact O-CG 3.3Å; V78-L82 WeakPolarHBondContact O-CG 3.34Å; V78-L82 PolarHBondContact O-N 3.43Å; V78-I110 HydrophobicContact CG2-CD1 4.08Å; V78-I110 HydrophobicContact CG2-CG1 4.29Å; V78-F130 HydrophobicContact CG1-CE1 4.48Å; V78-F130 HydrophobicContact CG2-CD1 4.49Å; V78-F130 HydrophobicContact CG2-CE1 3.98Å; V78-L148 HydrophobicContact CB-CD2 4.16Å; V78-L148 HydrophobicContact CB-CG 4.41Å; V78-L148 HydrophobicContact CG1-CD1 3.9Å; V78-L148 HydrophobicContact CG1-CD2 4.13Å; V78-L148 HydrophobicContact CG1-CG 3.83Å; V78-L152 HydrophobicContact CG1-CB 4.1Å; V78-L152 HydrophobicContact CG1-CD1 4.33Å; V78-L152 HydrophobicContact CG1-CD2 4.18Å; V78-L152 HydrophobicContact CG1-CG 4.43Å; V78-L152 HydrophobicContact CG2-CD2 4.34Å |
| 79 | R | 94.7 | Very high | 91.2 | Very high | 76 Ų | 76 | 41 Ų | 41 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.2 | -38 | 176.3 | -69.4 | -177.5 | -163.7 | 102.8 | 1.2 | 112.7 | E28 G75 A76 L82 G83 F132 L148 | E28-R79 WeakPolarHBondContact OE2-CB 3.3Å; E28-R79 WeakPolarHBondContact OE2-CD 3.2Å; G75-R79 WeakPolarHBondContact O-CG 3.25Å; G75-R79 PolarHBondContact O-N 3.15Å; A76-R79 PolarHBondContact O-N 2.85Å; R79-L82 PolarHBondContact O-N 3.18Å; R79-G83 PolarHBondContact O-N 3.24Å; R79-F132 PolarHBondContact NH2-O 3Å; R79-L148 HydrophobicContact CG-CD1 3.84Å; R79-L148 HydrophobicContact CG-CD2 4.3Å |
| 80 | V | 94.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 173.8 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | E28 W33 I37 A76 L77 V78 G83 R84 | E28-V80 HydrophobicContact CB-CG2 4.28Å; E28-V80 WeakPolarHBondContact O-CG2 3.41Å; W33-V80 HydrophobicContact CB-CG1 4.11Å; W33-V80 HydrophobicContact CB-CG2 4.34Å; W33-V80 HydrophobicContact CD2-CG2 3.86Å; W33-V80 HydrophobicContact CG-CG1 4.27Å; W33-V80 HydrophobicContact CG-CG2 3.7Å; I37-V80 HydrophobicContact CD1-CG1 4.3Å; A76-V80 VanDerWaalsContact O-CG2 3.3Å; A76-V80 WeakPolarHBondContact O-CG2 3.3Å; A76-V80 PolarHBondContact O-N 2.87Å; L77-V80 PolarHBondContact O-N 3.15Å; V78-V80 VanDerWaalsContact C-N 3.34Å; V78-V80 PolarHBondContact O-N 3.01Å; V80-G83 PolarHBondContact O-N 2.98Å; V80-R84 WeakPolarHBondContact O-CG 3.2Å; V80-R84 PolarHBondContact O-N 3.38Å |
| 81 | F | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 173.2 | 165.2 | -108.3 | 0 | 0 | 0 | 111.3 | L77 V78 G83 R84 T85 A103 A106 L107 I110 L152 L156 L159 | L77-F81 PolarHBondContact O-N 3.46Å; V78-F81 WeakPolarHBondContact O-CB 3.31Å; V78-F81 PolarHBondContact O-N 2.89Å; F81-G83 VanDerWaalsContact C-N 3.28Å; F81-G83 PolarHBondContact O-N 3.44Å; F81-R84 PolarHBondContact O-N 2.89Å; F81-R84 VanDerWaalsContact O-N 3.1Å; F81-T85 HydrophobicContact CD2-CG2 3.96Å; F81-T85 HydrophobicContact CE1-CG2 4.1Å; F81-T85 HydrophobicContact CE2-CG2 3.46Å; F81-T85 VanDerWaalsContact CE2-CG2 3.46Å; F81-T85 HydrophobicContact CG-CG2 4.46Å; F81-T85 HydrophobicContact CZ-CG2 3.57Å; F81-T85 VanDerWaalsContact O-CG2 3.31Å; F81-T85 WeakPolarHBondContact O-CG2 3.35Å; F81-T85 PolarHBondContact O-N 3.42Å; F81-A103 WeakPolarHBondContact CD2-O 3.46Å; F81-A106 HydrophobicContact CB-CB 4Å; F81-A106 HydrophobicContact CD2-CB 4.32Å; F81-L107 HydrophobicContact CD2-CB 3.91Å; F81-L107 HydrophobicContact CE1-CD1 4.15Å; F81-L107 HydrophobicContact CE2-CB 3.58Å; F81-L107 HydrophobicContact CE2-CD1 4.17Å; F81-L107 HydrophobicContact CE2-CD2 4.04Å; F81-L107 HydrophobicContact CE2-CG 4.12Å; F81-L107 HydrophobicContact CZ-CB 4.14Å; F81-L107 HydrophobicContact CZ-CD1 3.84Å; F81-L107 HydrophobicContact CZ-CD2 3.96Å; F81-L107 HydrophobicContact CZ-CG 4.18Å; F81-I110 HydrophobicContact CB-CD1 3.64Å; F81-I110 HydrophobicContact CD1-CD1 4.04Å; F81-I110 HydrophobicContact CG-CD1 3.89Å; F81-L152 HydrophobicContact CD1-CD1 3.79Å; F81-L152 HydrophobicContact CE1-CD1 3.61Å; F81-L156 HydrophobicContact CE1-CD2 4.46Å; F81-L156 HydrophobicContact CZ-CD2 4.32Å; F81-L159 HydrophobicContact CE2-CD1 4.25Å; F81-L159 HydrophobicContact CZ-CD1 3.63Å |
| 82 | L | 94.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -41.6 | 178 | -69 | 171.4 | 0 | 0 | 0 | 111.7 | V78 R79 T85 K86 L148 E151 N155 | V78-L82 HydrophobicContact CG1-CD1 4.03Å; V78-L82 HydrophobicContact CG1-CG 4.39Å; V78-L82 VanDerWaalsContact O-CG 3.3Å; V78-L82 WeakPolarHBondContact O-CG 3.34Å; V78-L82 PolarHBondContact O-N 3.43Å; R79-L82 PolarHBondContact O-N 3.18Å; L82-T85 PolarHBondContact O-N 2.78Å; L82-T85 PolarHBondContact O-OG1 3.31Å; L82-K86 PolarHBondContact O-N 2.89Å; L82-L148 HydrophobicContact CD1-CD1 3.67Å; L82-E151 HydrophobicContact CD1-CB 4.35Å; L82-E151 HydrophobicContact CD1-CG 3.93Å; L82-E151 HydrophobicContact CD2-CG 4.33Å; L82-N155 HydrophobicContact CD2-CB 3.46Å; L82-N155 VanDerWaalsContact CD2-CB 3.46Å |
| 83 | G | 92.1 | Very high | 88.8 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.7 | -49.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R79 V80 F81 T85 K86 | R79-G83 PolarHBondContact O-N 3.24Å; V80-G83 PolarHBondContact O-N 2.98Å; F81-G83 VanDerWaalsContact C-N 3.28Å; F81-G83 PolarHBondContact O-N 3.44Å; G83-T85 VanDerWaalsContact C-N 3.27Å; G83-T85 PolarHBondContact O-N 3.26Å; G83-K86 WeakPolarHBondContact O-CB 3.48Å; G83-K86 PolarHBondContact O-N 3.06Å |
| 84 | R | 90 | Very high | 88 | Confident | 51 Ų | 51 | 45 Ų | 45 | 19% | 0.192 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -32.1 | 177.7 | -67 | -73 | 175.5 | -110.5 | -5.2 | 112.5 | N34 V80 F81 K86 E87 A103 | N34-R84 PolarHBondContact OD1-NH2 3.25Å; V80-R84 WeakPolarHBondContact O-CG 3.2Å; V80-R84 PolarHBondContact O-N 3.38Å; F81-R84 PolarHBondContact O-N 2.89Å; F81-R84 VanDerWaalsContact O-N 3.1Å; R84-K86 VanDerWaalsContact C-N 3.3Å; R84-K86 PolarHBondContact O-N 3.28Å; R84-E87 IonicContact NH1-OE2 3.89Å; R84-E87 PolarHBondContact O-N 2.81Å; R84-A103 HydrophobicContact CB-CB 3.99Å |
| 85 | T | 90.3 | Very high | 87 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.6 | -25.7 | 179.1 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | F81 L82 G83 E87 L88 N155 L159 | F81-T85 HydrophobicContact CD2-CG2 3.96Å; F81-T85 HydrophobicContact CE1-CG2 4.1Å; F81-T85 HydrophobicContact CE2-CG2 3.46Å; F81-T85 VanDerWaalsContact CE2-CG2 3.46Å; F81-T85 HydrophobicContact CG-CG2 4.46Å; F81-T85 HydrophobicContact CZ-CG2 3.57Å; F81-T85 VanDerWaalsContact O-CG2 3.31Å; F81-T85 WeakPolarHBondContact O-CG2 3.35Å; F81-T85 PolarHBondContact O-N 3.42Å; L82-T85 PolarHBondContact O-N 2.78Å; L82-T85 PolarHBondContact O-OG1 3.31Å; G83-T85 VanDerWaalsContact C-N 3.27Å; G83-T85 PolarHBondContact O-N 3.26Å; T85-E87 PolarHBondContact O-N 3.43Å; T85-L88 VanDerWaalsContact CA-CD1 3.49Å; T85-L88 HydrophobicContact CG2-CD1 3.74Å; T85-L88 WeakPolarHBondContact O-CB 3.29Å; T85-L88 PolarHBondContact O-N 3.26Å; T85-N155 WeakPolarHBondContact CG2-OD1 3.43Å; T85-N155 PolarHBondContact OG1-ND2 2.76Å; T85-L159 HydrophobicContact CG2-CD1 4.05Å; T85-L159 HydrophobicContact CG2-CD2 4.19Å |
| 86 | K | 87.3 | Confident | 86.2 | Confident | 157 Ų | 157 | 55 Ų | 55 | 68% | 0.683 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.9 | -25 | 175.8 | -66.7 | 172.6 | -177 | 174.2 | 0 | 112.2 | L82 G83 R84 | L82-K86 PolarHBondContact O-N 2.89Å; G83-K86 WeakPolarHBondContact O-CB 3.48Å; G83-K86 PolarHBondContact O-N 3.06Å; R84-K86 VanDerWaalsContact C-N 3.3Å; R84-K86 PolarHBondContact O-N 3.28Å |
| 87 | E | 81.6 | Confident | 85.5 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -91.3 | -17.1 | -179.1 | -63.8 | 170.4 | 161.2 | 0 | 0 | 112.4 | R84 T85 K89 I90 S91 F99 | R84-E87 IonicContact NH1-OE2 3.89Å; R84-E87 PolarHBondContact O-N 2.81Å; T85-E87 PolarHBondContact O-N 3.43Å; E87-K89 VanDerWaalsContact C-N 3.3Å; E87-K89 PolarHBondContact O-N 3.16Å; E87-K89 VanDerWaalsContact O-N 3.15Å; E87-I90 PolarHBondContact O-N 2.93Å; E87-I90 VanDerWaalsContact O-N 3.09Å; E87-S91 PolarHBondContact O-N 3.17Å; E87-S91 PolarHBondContact O-OG 3.32Å; E87-S91 VanDerWaalsContact O-OG 3.06Å; E87-F99 WeakPolarHBondContact OE2-CD1 3.3Å; E87-F99 WeakPolarHBondContact OE2-CE1 3.4Å |
| 88 | L | 81.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55 | -39.1 | -172.5 | -82.6 | 166.2 | 0 | 0 | 0 | 114.3 | T85 S91 T92 I100 A103 L159 I172 | T85-L88 VanDerWaalsContact CA-CD1 3.49Å; T85-L88 HydrophobicContact CG2-CD1 3.74Å; T85-L88 WeakPolarHBondContact O-CB 3.29Å; T85-L88 PolarHBondContact O-N 3.26Å; L88-S91 PolarHBondContact O-N 2.91Å; L88-T92 WeakPolarHBondContact O-CB 3.23Å; L88-T92 PolarHBondContact O-N 3.23Å; L88-T92 PolarHBondContact O-OG1 3.33Å; L88-I100 HydrophobicContact CD2-CB 4.09Å; L88-I100 HydrophobicContact CD2-CG1 3.72Å; L88-I100 HydrophobicContact CD2-CG2 4.21Å; L88-A103 HydrophobicContact CD1-CB 4.42Å; L88-A103 HydrophobicContact CD2-CB 4.26Å; L88-L159 HydrophobicContact CD1-CD2 3.32Å; L88-I172 HydrophobicContact CD1-CD1 3.69Å; L88-I172 HydrophobicContact CD2-CD1 3.95Å; L88-I172 HydrophobicContact CG-CD1 4.49Å |
| 89 | K | 76.9 | Confident | 84.3 | Confident | 153 Ų | 153 | 63.5 Ų | 63.5 | 67% | 0.665 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.6 | -47.5 | -179.6 | -172.3 | 176.1 | 179.6 | 178.7 | 0 | 110.9 | E87 T92 E93 | E87-K89 VanDerWaalsContact C-N 3.3Å; E87-K89 PolarHBondContact O-N 3.16Å; E87-K89 VanDerWaalsContact O-N 3.15Å; K89-T92 PolarHBondContact O-N 3.1Å; K89-E93 WeakPolarHBondContact O-CG 3.27Å; K89-E93 PolarHBondContact O-N 3.46Å; K89-E93 VanDerWaalsContact O-N 3.13Å |
| 90 | I | 79.1 | Confident | 83.8 | Confident | 108 Ų | 108 | 60.2 Ų | 60.2 | 55% | 0.554 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.3 | -44.4 | 177 | -60.3 | 173 | 0 | 0 | 0 | 109.6 | E87 T92 E93 C94 | E87-I90 PolarHBondContact O-N 2.93Å; E87-I90 VanDerWaalsContact O-N 3.09Å; I90-T92 VanDerWaalsContact C-N 3.27Å; I90-T92 PolarHBondContact O-N 2.6Å; I90-E93 PolarHBondContact O-N 3.2Å; I90-C94 WeakPolarHBondContact O-CB 3.18Å; I90-C94 PolarHBondContact O-N 3.1Å; I90-C94 PolarHBondContact O-SG 3.34Å; I90-C94 VanDerWaalsContact O-SG 3.4Å |
| 91 | S | 79.4 | Confident | 83.5 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | E87 L88 C94 Q95 D96 F99 | E87-S91 PolarHBondContact O-N 3.17Å; E87-S91 PolarHBondContact O-OG 3.32Å; E87-S91 VanDerWaalsContact O-OG 3.06Å; L88-S91 PolarHBondContact O-N 2.91Å; S91-C94 PolarHBondContact O-N 2.9Å; S91-Q95 CarbonylContact O-C 3.53Å; S91-Q95 WeakPolarHBondContact O-CA 3.41Å; S91-Q95 PolarHBondContact O-N 3.46Å; S91-D96 PolarHBondContact O-N 3.42Å; S91-F99 WeakPolarHBondContact OG-CB 3.49Å |
| 92 | T | 77.7 | Confident | 83.1 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | L88 K89 I90 C94 Q95 P164 L166 T169 | L88-T92 WeakPolarHBondContact O-CB 3.23Å; L88-T92 PolarHBondContact O-N 3.23Å; L88-T92 PolarHBondContact O-OG1 3.33Å; K89-T92 PolarHBondContact O-N 3.1Å; I90-T92 VanDerWaalsContact C-N 3.27Å; I90-T92 PolarHBondContact O-N 2.6Å; T92-C94 VanDerWaalsContact C-N 3.34Å; T92-Q95 PolarHBondContact O-N 3.09Å; T92-P164 HydrophobicContact CG2-CG 3.99Å; T92-L166 HydrophobicContact CG2-CD1 3.71Å; T92-T169 HydrophobicContact CG2-CG2 4.1Å |
| 93 | E | 77.7 | Confident | 83 | Confident | 142 Ų | 142 | 62 Ų | 62 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.7 | -37.9 | 176.4 | -70.3 | 172.8 | -168.9 | 0 | 0 | 112 | K89 I90 | K89-E93 WeakPolarHBondContact O-CG 3.27Å; K89-E93 PolarHBondContact O-N 3.46Å; K89-E93 VanDerWaalsContact O-N 3.13Å; I90-E93 PolarHBondContact O-N 3.2Å |
| 94 | C | 78.4 | Confident | 83 | Confident | 90 Ų | 90 | 61.7 Ų | 61.7 | 61% | 0.608 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -2.5 | 179 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | I90 S91 T92 D96 | I90-C94 WeakPolarHBondContact O-CB 3.18Å; I90-C94 PolarHBondContact O-N 3.1Å; I90-C94 PolarHBondContact O-SG 3.34Å; I90-C94 VanDerWaalsContact O-SG 3.4Å; S91-C94 PolarHBondContact O-N 2.9Å; T92-C94 VanDerWaalsContact C-N 3.34Å; C94-D96 PolarHBondContact O-N 2.93Å |
| 95 | Q | 74.4 | Confident | 83.1 | Confident | 155 Ų | 155 | 59.4 Ų | 59.4 | 72% | 0.724 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 31.1 | -170.8 | -57.6 | -173 | -18.6 | 0 | 0 | 113.8 | S91 T92 Q97 | S91-Q95 CarbonylContact O-C 3.53Å; S91-Q95 WeakPolarHBondContact O-CA 3.41Å; S91-Q95 PolarHBondContact O-N 3.46Å; T92-Q95 PolarHBondContact O-N 3.09Å; Q95-Q97 PolarHBondContact O-N 3.3Å |
| 96 | D | 76.9 | Confident | 83.3 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | trans | -78.8 | 100.9 | 175.3 | -170.4 | -16.9 | 0 | 0 | 0 | 110.1 | S91 C94 L98 F99 | S91-D96 PolarHBondContact O-N 3.42Å; C94-D96 PolarHBondContact O-N 2.93Å; D96-L98 VanDerWaalsContact C-N 3.29Å; D96-L98 PolarHBondContact O-N 3.06Å; D96-L98 WeakPolarHBondContact OD1-CB 3.47Å; D96-L98 PolarHBondContact OD1-N 3.21Å; D96-F99 VanDerWaalsContact OD2-CD2 3.24Å; D96-F99 WeakPolarHBondContact OD2-CD2 3.36Å; D96-F99 WeakPolarHBondContact OD2-CE2 3.49Å | ||
| 97 | Q | 80.4 | Confident | 83.8 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.3 | -20.4 | -177.9 | -65.3 | -176.2 | -5.5 | 0 | 0 | 113.1 | Q95 W101 I168 | Q95-Q97 PolarHBondContact O-N 3.3Å; Q97-W101 WeakPolarHBondContact O-CB 3.26Å; Q97-W101 PolarHBondContact O-N 3.18Å; Q97-I168 HydrophobicContact CG-CG2 4.13Å |
| 98 | L | 82.6 | Confident | 84.3 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 29% | 0.288 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67 | -49.8 | -171.9 | -177.7 | 68.2 | 0 | 0 | 0 | 111.1 | D96 W101 Q102 | D96-L98 VanDerWaalsContact C-N 3.29Å; D96-L98 PolarHBondContact O-N 3.06Å; D96-L98 WeakPolarHBondContact OD1-CB 3.47Å; D96-L98 PolarHBondContact OD1-N 3.21Å; L98-W101 HydrophobicContact CD1-CE3 3.89Å; L98-W101 HydrophobicContact CD1-CZ3 3.92Å; L98-W101 PolarHBondContact O-N 3.42Å; L98-Q102 WeakPolarHBondContact O-CB 3.4Å; L98-Q102 WeakPolarHBondContact O-CG 3.25Å; L98-Q102 PolarHBondContact O-N 3.44Å |
| 99 | F | 83.3 | Confident | 85 | Confident | 54 Ų | 54 | 48.3 Ų | 48.3 | 24% | 0.237 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 179.7 | -70.7 | -79.6 | 0 | 0 | 0 | 112.2 | E87 S91 D96 W101 Q102 A103 | E87-F99 WeakPolarHBondContact OE2-CD1 3.3Å; E87-F99 WeakPolarHBondContact OE2-CE1 3.4Å; S91-F99 WeakPolarHBondContact OG-CB 3.49Å; D96-F99 VanDerWaalsContact OD2-CD2 3.24Å; D96-F99 WeakPolarHBondContact OD2-CD2 3.36Å; D96-F99 WeakPolarHBondContact OD2-CE2 3.49Å; F99-W101 VanDerWaalsContact C-N 3.34Å; F99-Q102 PolarHBondContact O-N 2.69Å; F99-A103 VanDerWaalsContact O-CB 3.29Å; F99-A103 WeakPolarHBondContact O-CB 3.46Å; F99-A103 PolarHBondContact O-N 3.1Å |
| 100 | I | 86.3 | Confident | 86 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 177 | -59.1 | 168.8 | 0 | 0 | 0 | 110.2 | L88 A103 H104 I168 T169 I172 | L88-I100 HydrophobicContact CD2-CB 4.09Å; L88-I100 HydrophobicContact CD2-CG1 3.72Å; L88-I100 HydrophobicContact CD2-CG2 4.21Å; I100-A103 PolarHBondContact O-N 3.38Å; I100-H104 WeakPolarHBondContact O-CB 3.43Å; I100-H104 PolarHBondContact O-N 3.05Å; I100-I168 HydrophobicContact CD1-CB 4.45Å; I100-I168 HydrophobicContact CD1-CD1 3.89Å; I100-I168 HydrophobicContact CD1-CG1 4.23Å; I100-I168 WeakPolarHBondContact CG2-O 3.31Å; I100-T169 HydrophobicContact CD1-CG2 4.42Å; I100-I172 HydrophobicContact CG2-CG2 4.05Å |
| 101 | W | 86.8 | Confident | 86.7 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 16% | 0.159 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 177.7 | 171.5 | 65.1 | 0 | 0 | 0 | 112.6 | S38 F39 T40 Q97 L98 F99 H104 N105 | S38-W101 VanDerWaalsContact C-CZ2 3.5Å; S38-W101 VanDerWaalsContact O-CH2 3.27Å; S38-W101 WeakPolarHBondContact O-CH2 3.28Å; F39-W101 VanDerWaalsContact C-CZ2 3.46Å; F39-W101 VanDerWaalsContact O-CE2 3.3Å; F39-W101 WeakPolarHBondContact O-CZ2 3.3Å; F39-W101 PolarHBondContact O-NE1 3.06Å; T40-W101 HydrophobicContact CG2-CZ2 4.03Å; Q97-W101 WeakPolarHBondContact O-CB 3.26Å; Q97-W101 PolarHBondContact O-N 3.18Å; L98-W101 HydrophobicContact CD1-CE3 3.89Å; L98-W101 HydrophobicContact CD1-CZ3 3.92Å; L98-W101 PolarHBondContact O-N 3.42Å; F99-W101 VanDerWaalsContact C-N 3.34Å; W101-H104 WeakPolarHBondContact O-CB 3.46Å; W101-H104 PolarHBondContact O-N 3.25Å; W101-N105 VanDerWaalsContact CE2-ND2 3.32Å; W101-N105 PolarHBondContact NE1-ND2 3.22Å; W101-N105 WeakPolarHBondContact O-CB 3.48Å; W101-N105 PolarHBondContact O-N 3.28Å |
| 102 | Q | 88.8 | Confident | 87.4 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.3 | -74 | -172.3 | -21.2 | 0 | 0 | 112.4 | I37 S38 L98 F99 N105 A106 | I37-Q102 HydrophobicContact CD1-CB 3.86Å; I37-Q102 HydrophobicContact CD1-CG 4.25Å; I37-Q102 HydrophobicContact CG1-CB 3.91Å; I37-Q102 HydrophobicContact CG1-CG 3.92Å; S38-Q102 PolarHBondContact OG-NE2 3.41Å; S38-Q102 VanDerWaalsContact OG-NE2 3.1Å; L98-Q102 WeakPolarHBondContact O-CB 3.4Å; L98-Q102 WeakPolarHBondContact O-CG 3.25Å; L98-Q102 PolarHBondContact O-N 3.44Å; F99-Q102 PolarHBondContact O-N 2.69Å; Q102-N105 PolarHBondContact O-N 2.73Å; Q102-A106 WeakPolarHBondContact O-CB 3.45Å; Q102-A106 PolarHBondContact O-N 3.03Å |
| 103 | A | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F81 R84 L88 F99 I100 A106 L107 I172 | F81-A103 WeakPolarHBondContact CD2-O 3.46Å; R84-A103 HydrophobicContact CB-CB 3.99Å; L88-A103 HydrophobicContact CD1-CB 4.42Å; L88-A103 HydrophobicContact CD2-CB 4.26Å; F99-A103 VanDerWaalsContact O-CB 3.29Å; F99-A103 WeakPolarHBondContact O-CB 3.46Å; F99-A103 PolarHBondContact O-N 3.1Å; I100-A103 PolarHBondContact O-N 3.38Å; A103-A106 PolarHBondContact O-N 3.26Å; A103-L107 WeakPolarHBondContact O-CB 3.41Å; A103-L107 PolarHBondContact O-N 2.99Å; A103-I172 HydrophobicContact CB-CD1 3.66Å |
| 104 | H | 92.4 | Very high | 89.3 | Confident | 24 Ų | 24 | 29.5 Ų | 29.5 | 11% | 0.111 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 173.5 | 171.1 | 72.2 | 0 | 0 | 0 | 111.6 | I100 W101 A106 L107 F108 S171 I172 E175 | I100-H104 WeakPolarHBondContact O-CB 3.43Å; I100-H104 PolarHBondContact O-N 3.05Å; W101-H104 WeakPolarHBondContact O-CB 3.46Å; W101-H104 PolarHBondContact O-N 3.25Å; H104-A106 PolarHBondContact O-N 3Å; H104-L107 PolarHBondContact O-N 2.9Å; H104-F108 WeakPolarHBondContact O-CB 3.44Å; H104-F108 PolarHBondContact O-N 2.85Å; H104-S171 PolarHBondContact CE1-O 3.3Å; H104-S171 PolarHBondContact ND1-O 3.18Å; H104-S171 VanDerWaalsContact ND1-O 3.16Å; H104-I172 HydrophobicContact CB-CB 4.17Å; H104-E175 IonicContact CE1-OE2 3.84Å |
| 105 | N | 91.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | -178.6 | -81.6 | -2.7 | 0 | 0 | 0 | 112.7 | I37 F39 W101 Q102 F108 M109 | I37-N105 HydrophobicContact CB-CB 4.35Å; I37-N105 WeakPolarHBondContact O-CB 3.24Å; I37-N105 PolarHBondContact O-ND2 3.31Å; F39-N105 HydrophobicContact CD1-CB 4.2Å; F39-N105 HydrophobicContact CE1-CB 3.45Å; F39-N105 VanDerWaalsContact CE1-CB 3.45Å; F39-N105 HydrophobicContact CE2-CB 4.02Å; F39-N105 WeakPolarHBondContact CE2-OD1 3.41Å; F39-N105 HydrophobicContact CZ-CB 3.33Å; F39-N105 WeakPolarHBondContact CZ-OD1 3.29Å; F39-N105 PolarHBondContact O-ND2 3.27Å; W101-N105 VanDerWaalsContact CE2-ND2 3.32Å; W101-N105 PolarHBondContact NE1-ND2 3.22Å; W101-N105 WeakPolarHBondContact O-CB 3.48Å; W101-N105 PolarHBondContact O-N 3.28Å; Q102-N105 PolarHBondContact O-N 2.73Å; N105-F108 PolarHBondContact O-N 2.91Å; N105-M109 WeakPolarHBondContact O-CG 3.07Å; N105-M109 PolarHBondContact O-N 2.97Å |
| 106 | A | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I37 L77 F81 Q102 A103 H104 F108 M109 I110 | I37-A106 HydrophobicContact CG2-CB 4.12Å; L77-A106 HydrophobicContact CD1-CB 4.38Å; F81-A106 HydrophobicContact CB-CB 4Å; F81-A106 HydrophobicContact CD2-CB 4.32Å; Q102-A106 WeakPolarHBondContact O-CB 3.45Å; Q102-A106 PolarHBondContact O-N 3.03Å; A103-A106 PolarHBondContact O-N 3.26Å; H104-A106 PolarHBondContact O-N 3Å; A106-F108 PolarHBondContact O-N 2.95Å; A106-M109 WeakPolarHBondContact O-CB 3.46Å; A106-M109 PolarHBondContact O-N 3.32Å; A106-I110 WeakPolarHBondContact O-CG1 3.41Å; A106-I110 PolarHBondContact O-N 3.26Å |
| 107 | L | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 177.8 | -176.1 | 54.1 | 0 | 0 | 0 | 112.4 | F81 A103 H104 M109 I110 R111 L156 E175 A176 T179 | F81-L107 HydrophobicContact CD2-CB 3.91Å; F81-L107 HydrophobicContact CE1-CD1 4.15Å; F81-L107 HydrophobicContact CE2-CB 3.58Å; F81-L107 HydrophobicContact CE2-CD1 4.17Å; F81-L107 HydrophobicContact CE2-CD2 4.04Å; F81-L107 HydrophobicContact CE2-CG 4.12Å; F81-L107 HydrophobicContact CZ-CB 4.14Å; F81-L107 HydrophobicContact CZ-CD1 3.84Å; F81-L107 HydrophobicContact CZ-CD2 3.96Å; F81-L107 HydrophobicContact CZ-CG 4.18Å; A103-L107 WeakPolarHBondContact O-CB 3.41Å; A103-L107 PolarHBondContact O-N 2.99Å; H104-L107 PolarHBondContact O-N 2.9Å; L107-M109 VanDerWaalsContact C-N 3.31Å; L107-M109 PolarHBondContact O-N 3.18Å; L107-I110 CarbonylContact O-C 3.53Å; L107-I110 WeakPolarHBondContact O-CB 3.45Å; L107-I110 PolarHBondContact O-N 2.79Å; L107-I110 VanDerWaalsContact O-N 3.11Å; L107-R111 PolarHBondContact O-N 2.82Å; L107-L156 HydrophobicContact CD1-CD2 3.57Å; L107-L156 HydrophobicContact CD2-CD2 3.93Å; L107-L156 HydrophobicContact CG-CD2 4.41Å; L107-E175 HydrophobicContact CB-CG 4.17Å; L107-E175 HydrophobicContact CD2-CB 4.04Å; L107-E175 HydrophobicContact CD2-CG 3.92Å; L107-E175 HydrophobicContact CG-CB 4.43Å; L107-E175 HydrophobicContact CG-CG 3.76Å; L107-A176 HydrophobicContact CD2-CB 4.14Å; L107-T179 HydrophobicContact CD1-CG2 4.03Å |
| 108 | F | 93.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 12.5 Ų | 12.5 | 1% | 0.013 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 177.2 | 172.5 | -90.4 | 0 | 0 | 0 | 112.3 | M1 F39 F41 S43 L53 H104 N105 A106 R111 C112 E175 | M1-F108 HydrophobicContact CE-CD1 3.54Å; M1-F108 HydrophobicContact CE-CE1 3.51Å; M1-F108 HydrophobicContact SD-CE1 4.36Å; F39-F108 HydrophobicContact CE2-CD1 4.4Å; F39-F108 HydrophobicContact CZ-CD1 4.08Å; F41-F108 HydrophobicContact CD1-CE1 4.01Å; F41-F108 HydrophobicContact CD1-CZ 4.09Å; F41-F108 HydrophobicContact CE1-CE1 4.01Å; F41-F108 AromaticContact CE1-CZ 3.69Å; F41-F108 HydrophobicContact CE1-CZ 3.69Å; S43-F108 WeakPolarHBondContact OG-CE2 3.19Å; L53-F108 HydrophobicContact CD2-CE1 4.47Å; L53-F108 HydrophobicContact CD2-CE2 4.25Å; L53-F108 HydrophobicContact CD2-CZ 3.57Å; H104-F108 WeakPolarHBondContact O-CB 3.44Å; H104-F108 PolarHBondContact O-N 2.85Å; N105-F108 PolarHBondContact O-N 2.91Å; A106-F108 PolarHBondContact O-N 2.95Å; F108-R111 VanDerWaalsContact CD2-NH2 3.34Å; F108-R111 PolarHBondContact O-N 3.11Å; F108-C112 PolarHBondContact O-N 3.34Å; F108-C112 PolarHBondContact O-SG 3.5Å; F108-E175 VanDerWaalsContact CA-OE1 3.29Å; F108-E175 WeakPolarHBondContact CA-OE1 3.4Å; F108-E175 HydrophobicContact CB-CG 4.18Å; F108-E175 WeakPolarHBondContact CD2-OE1 3.28Å |
| 109 | M | 94.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 5% | 0.049 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 171.3 | -70.4 | -175.7 | 64.2 | 0 | 0 | 111.9 | M1 L17 L20 L36 F39 L77 N105 A106 L107 R111 C112 L113 | M1-M109 HydrophobicContact CE-CG 3.51Å; M1-M109 HydrophobicContact CE-SD 4.26Å; L17-M109 HydrophobicContact CD2-CE 3.67Å; L20-M109 HydrophobicContact CD2-CE 3.61Å; L36-M109 HydrophobicContact CD1-CE 4.2Å; L36-M109 HydrophobicContact CD2-CE 3.8Å; L36-M109 HydrophobicContact CD2-SD 4.23Å; L36-M109 HydrophobicContact CG-CE 4.05Å; L36-M109 HydrophobicContact CG-SD 4.12Å; F39-M109 HydrophobicContact CE1-CG 4.04Å; F39-M109 HydrophobicContact CE1-SD 3.91Å; F39-M109 HydrophobicContact CZ-CG 4.36Å; L77-M109 HydrophobicContact CD2-CB 4.19Å; N105-M109 WeakPolarHBondContact O-CG 3.07Å; N105-M109 PolarHBondContact O-N 2.97Å; A106-M109 WeakPolarHBondContact O-CB 3.46Å; A106-M109 PolarHBondContact O-N 3.32Å; L107-M109 VanDerWaalsContact C-N 3.31Å; L107-M109 PolarHBondContact O-N 3.18Å; M109-R111 PolarHBondContact O-N 3.36Å; M109-C112 PolarHBondContact O-N 3.27Å; M109-L113 WeakPolarHBondContact O-CG 3.41Å; M109-L113 PolarHBondContact O-N 2.78Å |
| 110 | I | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 176.6 | -68.3 | 164.2 | 0 | 0 | 0 | 110.1 | F74 L77 V78 F81 A106 L107 C112 L113 V114 L152 | F74-I110 HydrophobicContact CE2-CG2 4.42Å; F74-I110 HydrophobicContact CZ-CG2 4.41Å; L77-I110 HydrophobicContact CD2-CG1 3.91Å; L77-I110 HydrophobicContact CG-CD1 4.35Å; L77-I110 HydrophobicContact CG-CG1 3.89Å; V78-I110 HydrophobicContact CG2-CD1 4.08Å; V78-I110 HydrophobicContact CG2-CG1 4.29Å; F81-I110 HydrophobicContact CB-CD1 3.64Å; F81-I110 HydrophobicContact CD1-CD1 4.04Å; F81-I110 HydrophobicContact CG-CD1 3.89Å; A106-I110 WeakPolarHBondContact O-CG1 3.41Å; A106-I110 PolarHBondContact O-N 3.26Å; L107-I110 CarbonylContact O-C 3.53Å; L107-I110 WeakPolarHBondContact O-CB 3.45Å; L107-I110 PolarHBondContact O-N 2.79Å; L107-I110 VanDerWaalsContact O-N 3.11Å; I110-C112 VanDerWaalsContact C-N 3.33Å; I110-C112 PolarHBondContact O-N 2.94Å; I110-L113 PolarHBondContact O-N 3.17Å; I110-V114 HydrophobicContact CG2-CG2 4.01Å; I110-V114 WeakPolarHBondContact O-CB 3.12Å; I110-V114 VanDerWaalsContact O-CG2 3.27Å; I110-V114 WeakPolarHBondContact O-CG2 3.3Å; I110-V114 PolarHBondContact O-N 3.27Å; I110-L152 HydrophobicContact CG2-CD2 4.07Å |
| 111 | R | 95.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 3% | 0.026 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -55.7 | -46.8 | 177.4 | -174.6 | -170.7 | 59.2 | 98 | 5.5 | 112 | L107 F108 M109 L113 K115 E175 T179 I182 | L107-R111 PolarHBondContact O-N 2.82Å; F108-R111 VanDerWaalsContact CD2-NH2 3.34Å; F108-R111 PolarHBondContact O-N 3.11Å; M109-R111 PolarHBondContact O-N 3.36Å; R111-L113 PolarHBondContact O-N 3.41Å; R111-K115 VanDerWaalsContact O-CB 3.31Å; R111-K115 WeakPolarHBondContact O-CB 3.44Å; R111-K115 PolarHBondContact O-N 3.21Å; R111-E175 WeakPolarHBondContact CD-OE1 3.27Å; R111-E175 IonicContact CZ-OE1 3.14Å; R111-E175 IonicContact NE-OE1 3.64Å; R111-E175 PolarHBondContact NE-OE1 3.44Å; R111-E175 IonicContact NH2-OE1 3.58Å; R111-T179 HydrophobicContact CB-CG2 4.31Å; R111-I182 HydrophobicContact CG-CB 4.49Å; R111-I182 HydrophobicContact CG-CG1 3.82Å |
| 112 | C | 94.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 14.9 Ų | 14.9 | 10% | 0.101 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | -178.5 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | V57 F108 M109 I110 | V57-C112 HydrophobicContact CG1-CB 4.18Å; V57-C112 HydrophobicContact CG2-CB 4.35Å; F108-C112 PolarHBondContact O-N 3.34Å; F108-C112 PolarHBondContact O-SG 3.5Å; M109-C112 PolarHBondContact O-N 3.27Å; I110-C112 VanDerWaalsContact C-N 3.33Å; I110-C112 PolarHBondContact O-N 2.94Å |
| 113 | L | 96.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 15.3 Ų | 15.3 | 5% | 0.052 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.7 | -49.7 | 177 | -67.8 | 172.1 | 0 | 0 | 0 | 111.5 | A61 L64 F74 L77 M109 I110 R111 K115 V116 F117 | A61-L113 HydrophobicContact CB-CD2 3.97Å; L64-L113 HydrophobicContact CD2-CD1 3.73Å; L64-L113 HydrophobicContact CD2-CD2 3.93Å; L64-L113 HydrophobicContact CD2-CG 4.4Å; F74-L113 HydrophobicContact CD2-CB 4.5Å; F74-L113 HydrophobicContact CD2-CD1 3.92Å; F74-L113 HydrophobicContact CE2-CB 4.13Å; F74-L113 HydrophobicContact CE2-CD1 4.18Å; L77-L113 HydrophobicContact CD2-CD1 4.03Å; M109-L113 WeakPolarHBondContact O-CG 3.41Å; M109-L113 PolarHBondContact O-N 2.78Å; I110-L113 PolarHBondContact O-N 3.17Å; R111-L113 PolarHBondContact O-N 3.41Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.44Å; L113-V116 PolarHBondContact O-N 3.22Å; L113-F117 HydrophobicContact CB-CE1 4.43Å; L113-F117 HydrophobicContact CB-CE2 4.47Å; L113-F117 HydrophobicContact CB-CZ 4.21Å; L113-F117 WeakPolarHBondContact O-CD1 3.35Å; L113-F117 WeakPolarHBondContact O-CG 3.5Å; L113-F117 PolarHBondContact O-N 3.18Å |
| 114 | V | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 179.8 | 171.2 | 0 | 0 | 0 | 0 | 111 | F74 I110 V116 F117 I118 I182 F183 | F74-V114 HydrophobicContact CE2-CG2 4.28Å; F74-V114 HydrophobicContact CZ-CG2 3.68Å; I110-V114 HydrophobicContact CG2-CG2 4.01Å; I110-V114 WeakPolarHBondContact O-CB 3.12Å; I110-V114 VanDerWaalsContact O-CG2 3.27Å; I110-V114 WeakPolarHBondContact O-CG2 3.3Å; I110-V114 PolarHBondContact O-N 3.27Å; V114-V116 PolarHBondContact O-N 3.28Å; V114-F117 PolarHBondContact O-N 2.99Å; V114-I118 HydrophobicContact CG1-CD1 3.71Å; V114-I118 HydrophobicContact CG1-CG1 4.02Å; V114-I118 VanDerWaalsContact O-CG1 3.29Å; V114-I118 WeakPolarHBondContact O-CG1 3.48Å; V114-I118 PolarHBondContact O-N 2.91Å; V114-I182 HydrophobicContact CG1-CG2 4.03Å; V114-F183 HydrophobicContact CG1-CD1 3.95Å; V114-F183 HydrophobicContact CG1-CE1 3.63Å; V114-F183 HydrophobicContact CG1-CZ 3.96Å; V114-F183 HydrophobicContact CG2-CE1 4.32Å; V114-F183 HydrophobicContact CG2-CZ 4.08Å |
| 115 | K | 95 | Very high | 94.1 | Very high | 15 Ų | 15 | 24 Ų | 24 | 7% | 0.065 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.7 | -37.7 | 176.3 | -178.4 | 170.7 | 179.6 | -84.2 | 0 | 112.7 | E54 R111 L113 I182 H655 W656 | E54-K115 IonicContact OE1-NZ 2.82Å; E54-K115 PolarHBondContact OE1-NZ 2.94Å; E54-K115 IonicContact OE2-NZ 3.98Å; E54-K115 PolarHBondContact OE2-NZ 2.97Å; R111-K115 VanDerWaalsContact O-CB 3.31Å; R111-K115 WeakPolarHBondContact O-CB 3.44Å; R111-K115 PolarHBondContact O-N 3.21Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.44Å; K115-I182 HydrophobicContact CB-CD1 4.37Å; K115-I182 HydrophobicContact CB-CG2 3.87Å; K115-I182 HydrophobicContact CD-CD1 3.82Å; K115-I182 HydrophobicContact CG-CD1 4.15Å; K115-H655 WeakPolarHBondContact CE-O 3.34Å; K115-H655 PolarHBondContact NZ-O 3.33Å; K115-W656 HydrophobicContact CG-CZ3 4.42Å |
| 116 | V | 94.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -74.8 | -40.5 | 174.4 | -179 | 0 | 0 | 0 | 0 | 110.8 | V57 V58 A61 L113 V114 I118 R119 E120 | V57-V116 HydrophobicContact CG1-CG2 4.12Å; V58-V116 HydrophobicContact CG2-CG1 4.27Å; V58-V116 HydrophobicContact CG2-CG2 3.82Å; A61-V116 HydrophobicContact CB-CB 3.73Å; A61-V116 HydrophobicContact CB-CG1 3.65Å; A61-V116 HydrophobicContact CB-CG2 4.06Å; L113-V116 PolarHBondContact O-N 3.22Å; V114-V116 PolarHBondContact O-N 3.28Å; V116-I118 PolarHBondContact O-N 2.93Å; V116-R119 PolarHBondContact O-N 3.08Å; V116-E120 HydrophobicContact CG1-CG 3.93Å; V116-E120 VanDerWaalsContact O-CG 3.22Å; V116-E120 WeakPolarHBondContact O-CG 3.42Å; V116-E120 PolarHBondContact O-N 3.11Å |
| 117 | F | 96 | Very high | 94 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 179.8 | -65.5 | -3.3 | 0 | 0 | 0 | 111.4 | A61 L64 I65 F74 L113 V114 R119 E120 M121 L126 | A61-F117 HydrophobicContact CB-CE1 4.27Å; L64-F117 HydrophobicContact CD2-CZ 3.97Å; L64-F117 HydrophobicContact CG-CZ 4.26Å; I65-F117 HydrophobicContact CD1-CD1 3.71Å; I65-F117 HydrophobicContact CD1-CE1 4.06Å; I65-F117 HydrophobicContact CG1-CD1 3.53Å; I65-F117 HydrophobicContact CG1-CE1 3.41Å; I65-F117 VanDerWaalsContact CG1-CE1 3.41Å; I65-F117 HydrophobicContact CG1-CG 4.47Å; I65-F117 HydrophobicContact CG1-CZ 4.28Å; F74-F117 HydrophobicContact CD1-CE2 4.02Å; F74-F117 HydrophobicContact CD2-CE2 4.02Å; F74-F117 HydrophobicContact CD2-CZ 4.44Å; F74-F117 HydrophobicContact CE1-CE2 4.02Å; F74-F117 HydrophobicContact CE2-CE2 4.04Å; F74-F117 HydrophobicContact CG-CE2 4.02Å; F74-F117 HydrophobicContact CZ-CD2 4.47Å; F74-F117 HydrophobicContact CZ-CE2 4.04Å; L113-F117 HydrophobicContact CB-CE1 4.43Å; L113-F117 HydrophobicContact CB-CE2 4.47Å; L113-F117 HydrophobicContact CB-CZ 4.21Å; L113-F117 WeakPolarHBondContact O-CD1 3.35Å; L113-F117 WeakPolarHBondContact O-CG 3.5Å; L113-F117 PolarHBondContact O-N 3.18Å; V114-F117 PolarHBondContact O-N 2.99Å; F117-R119 PolarHBondContact O-N 2.98Å; F117-R119 VanDerWaalsContact O-N 3.11Å; F117-E120 PolarHBondContact O-N 2.98Å; F117-M121 HydrophobicContact CB-CE 3.55Å; F117-M121 HydrophobicContact CB-SD 4.09Å; F117-M121 HydrophobicContact CD1-CE 3.89Å; F117-M121 HydrophobicContact CD2-CE 4.36Å; F117-M121 HydrophobicContact CG-CE 3.69Å; F117-M121 HydrophobicContact CG-SD 4.49Å; F117-M121 WeakPolarHBondContact O-CG 3.31Å; F117-M121 PolarHBondContact O-N 3.16Å; F117-L126 HydrophobicContact CB-CD1 3.86Å; F117-L126 HydrophobicContact CD2-CD1 3.89Å; F117-L126 HydrophobicContact CG-CD1 4.4Å |
| 118 | I | 94.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.3 | -34.5 | 179.3 | -69 | -178.7 | 0 | 0 | 0 | 112.6 | V114 V116 L126 I182 Y186 F189 | V114-I118 HydrophobicContact CG1-CD1 3.71Å; V114-I118 HydrophobicContact CG1-CG1 4.02Å; V114-I118 VanDerWaalsContact O-CG1 3.29Å; V114-I118 WeakPolarHBondContact O-CG1 3.48Å; V114-I118 PolarHBondContact O-N 2.91Å; V116-I118 PolarHBondContact O-N 2.93Å; I118-L126 HydrophobicContact CG1-CD2 4.37Å; I118-I182 HydrophobicContact CD1-CG2 3.93Å; I118-I182 WeakPolarHBondContact CD1-O 3.49Å; I118-Y186 HydrophobicContact CB-CD2 4.44Å; I118-Y186 HydrophobicContact CB-CE1 4.34Å; I118-Y186 HydrophobicContact CB-CE2 4.08Å; I118-Y186 HydrophobicContact CD1-CD2 4.13Å; I118-Y186 HydrophobicContact CD1-CE2 3.97Å; I118-Y186 HydrophobicContact CG1-CD2 4.02Å; I118-Y186 HydrophobicContact CG1-CE2 3.47Å; I118-Y186 VanDerWaalsContact CG1-CE2 3.47Å; I118-Y186 HydrophobicContact CG2-CD1 3.82Å; I118-Y186 HydrophobicContact CG2-CD2 3.79Å; I118-Y186 HydrophobicContact CG2-CE1 3.91Å; I118-Y186 HydrophobicContact CG2-CE2 3.91Å; I118-Y186 HydrophobicContact CG2-CG 3.77Å; I118-Y186 WeakPolarHBondContact O-CE1 3.39Å; I118-F189 HydrophobicContact CG2-CD2 4.07Å; I118-F189 HydrophobicContact CG2-CE2 3.89Å |
| 119 | R | 92.2 | Very high | 93.7 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -78.4 | -30.5 | 178.1 | -171.4 | -178.1 | 70.4 | -153.9 | -1.6 | 113.1 | E54 V58 V116 F117 F189 | E54-R119 IonicContact OE1-NH1 2.85Å; E54-R119 PolarHBondContact OE1-NH1 3.34Å; V58-R119 VanDerWaalsContact CG2-NH2 3.34Å; V116-R119 PolarHBondContact O-N 3.08Å; F117-R119 PolarHBondContact O-N 2.98Å; F117-R119 VanDerWaalsContact O-N 3.11Å; R119-F189 HydrophobicContact CB-CE1 4.41Å; R119-F189 HydrophobicContact CB-CZ 4.16Å; R119-F189 HydrophobicContact CG-CD1 4.45Å; R119-F189 HydrophobicContact CG-CE1 3.92Å; R119-F189 HydrophobicContact CG-CZ 4.16Å |
| 120 | E | 93.1 | Very high | 93.5 | Very high | 78 Ų | 78 | 32.3 Ų | 32.3 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -103.8 | -9.9 | -168.1 | -55.4 | -78.8 | 161.3 | 0 | 0 | 113.3 | K62 I65 V116 F117 | K62-E120 VanDerWaalsContact CE-OE1 3.26Å; K62-E120 WeakPolarHBondContact CE-OE1 3.33Å; K62-E120 WeakPolarHBondContact CE-OE2 3.32Å; K62-E120 VanDerWaalsContact NZ-CD 3.34Å; K62-E120 IonicContact NZ-OE1 3.62Å; K62-E120 PolarHBondContact NZ-OE1 3.45Å; K62-E120 IonicContact NZ-OE2 3.3Å; K62-E120 PolarHBondContact NZ-OE2 2.92Å; I65-E120 HydrophobicContact CD1-CB 4.09Å; V116-E120 HydrophobicContact CG1-CG 3.93Å; V116-E120 VanDerWaalsContact O-CG 3.22Å; V116-E120 WeakPolarHBondContact O-CG 3.42Å; V116-E120 PolarHBondContact O-N 3.11Å; F117-E120 PolarHBondContact O-N 2.98Å |
| 121 | M | 93.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -147.2 | 157.5 | -177.5 | 81.9 | -168.1 | 63.4 | 0 | 0 | 113 | I65 F117 E125 L126 Q129 Y186 | I65-M121 HydrophobicContact CB-CE 4.31Å; I65-M121 HydrophobicContact CD1-CE 3.45Å; I65-M121 VanDerWaalsContact CD1-CE 3.45Å; I65-M121 HydrophobicContact CG1-CE 3.48Å; I65-M121 VanDerWaalsContact CG1-CE 3.48Å; I65-M121 HydrophobicContact CG2-CE 3.88Å; F117-M121 HydrophobicContact CB-CE 3.55Å; F117-M121 HydrophobicContact CB-SD 4.09Å; F117-M121 HydrophobicContact CD1-CE 3.89Å; F117-M121 HydrophobicContact CD2-CE 4.36Å; F117-M121 HydrophobicContact CG-CE 3.69Å; F117-M121 HydrophobicContact CG-SD 4.49Å; F117-M121 WeakPolarHBondContact O-CG 3.31Å; F117-M121 PolarHBondContact O-N 3.16Å; M121-E125 WeakPolarHBondContact CA-OE2 3.37Å; M121-E125 HydrophobicContact CB-CB 3.78Å; M121-E125 WeakPolarHBondContact CB-OE2 3.42Å; M121-E125 HydrophobicContact CG-CB 3.92Å; M121-E125 HydrophobicContact SD-CB 4.17Å; M121-L126 HydrophobicContact CG-CB 4.22Å; M121-L126 VanDerWaalsContact SD-CA 3.56Å; M121-L126 HydrophobicContact SD-CB 4.13Å; M121-L126 HydrophobicContact SD-CD1 4.41Å; M121-Q129 HydrophobicContact CE-CG 4.34Å; M121-Q129 HydrophobicContact SD-CG 3.79Å; M121-Y186 WeakPolarHBondContact O-CE1 3.48Å; M121-Y186 PolarHBondContact O-OH 3.04Å |
| 122 | S | 92.4 | Very high | 91.3 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 32% | 0.315 | 19% | 0.194 | S | C | . | . | trans | -66.9 | 166.4 | 174.1 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | E124 E125 L126 Y186 | S122-E124 VanDerWaalsContact C-N 3.28Å; S122-E124 PolarHBondContact O-N 2.8Å; S122-E125 PolarHBondContact N-OE2 2.99Å; S122-E125 PolarHBondContact O-N 3.29Å; S122-E125 WeakPolarHBondContact OG-CB 3.46Å; S122-E125 VanDerWaalsContact OG-CD 3.25Å; S122-E125 WeakPolarHBondContact OG-CG 3.21Å; S122-E125 PolarHBondContact OG-N 3.47Å; S122-E125 PolarHBondContact OG-OE2 3.01Å; S122-L126 PolarHBondContact O-N 3.27Å; S122-Y186 PolarHBondContact O-OH 3.49Å | ||
| 123 | E | 90.9 | Very high | 89.7 | Confident | 21 Ų | 21 | 43 Ų | 43 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -36 | 176.7 | -70.6 | -165.9 | -134.1 | 0 | 0 | 111.8 | L126 L127 Y186 G197 L198 I199 | E123-L126 WeakPolarHBondContact O-CB 3.17Å; E123-L126 PolarHBondContact O-N 2.86Å; E123-L127 PolarHBondContact O-N 2.95Å; E123-Y186 HydrophobicContact CG-CD1 4.05Å; E123-Y186 HydrophobicContact CG-CD2 3.89Å; E123-Y186 HydrophobicContact CG-CE1 3.93Å; E123-Y186 HydrophobicContact CG-CE2 3.72Å; E123-Y186 HydrophobicContact CG-CG 4.02Å; E123-G197 WeakPolarHBondContact OE1-CA 3.41Å; E123-L198 HydrophobicContact CB-CB 4.46Å; E123-L198 HydrophobicContact CB-CD1 4.04Å; E123-L198 HydrophobicContact CB-CG 4.41Å; E123-L198 WeakPolarHBondContact OE2-CA 3.49Å; E123-L198 WeakPolarHBondContact OE2-CB 3.29Å; E123-L198 PolarHBondContact OE2-N 2.96Å; E123-I199 PolarHBondContact OE2-N 2.88Å; E123-I199 VanDerWaalsContact OE2-N 3.07Å |
| 124 | E | 90.3 | Very high | 87.6 | Confident | 113 Ų | 113 | 49.8 Ų | 49.8 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.4 | -39.9 | 177.6 | -62.7 | 77.9 | -171.8 | 0 | 0 | 112.1 | S122 L126 L127 Q128 L198 | S122-E124 VanDerWaalsContact C-N 3.28Å; S122-E124 PolarHBondContact O-N 2.8Å; E124-L126 VanDerWaalsContact C-N 3.35Å; E124-L127 PolarHBondContact O-N 3.12Å; E124-Q128 WeakPolarHBondContact O-CG 3.34Å; E124-Q128 PolarHBondContact O-N 3Å; E124-L198 HydrophobicContact CG-CD1 4.34Å |
| 125 | E | 92.6 | Very high | 85.2 | Confident | 93 Ų | 93 | 61.1 Ų | 61.1 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 174.6 | -73.1 | 167.9 | 140.3 | 0 | 0 | 111.4 | M121 S122 Q128 Q129 | M121-E125 WeakPolarHBondContact CA-OE2 3.37Å; M121-E125 HydrophobicContact CB-CB 3.78Å; M121-E125 WeakPolarHBondContact CB-OE2 3.42Å; M121-E125 HydrophobicContact CG-CB 3.92Å; M121-E125 HydrophobicContact SD-CB 4.17Å; S122-E125 PolarHBondContact N-OE2 2.99Å; S122-E125 PolarHBondContact O-N 3.29Å; S122-E125 WeakPolarHBondContact OG-CB 3.46Å; S122-E125 VanDerWaalsContact OG-CD 3.25Å; S122-E125 WeakPolarHBondContact OG-CG 3.21Å; S122-E125 PolarHBondContact OG-N 3.47Å; S122-E125 PolarHBondContact OG-OE2 3.01Å; E125-Q128 WeakPolarHBondContact O-CB 3.34Å; E125-Q128 PolarHBondContact O-N 3.49Å; E125-Q129 PolarHBondContact O-N 2.91Å |
| 126 | L | 93.3 | Very high | 82.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 173.2 | 177.2 | 65.5 | 0 | 0 | 0 | 110.5 | F117 I118 M121 S122 E123 E124 Q128 Q129 F130 Y186 I199 | F117-L126 HydrophobicContact CB-CD1 3.86Å; F117-L126 HydrophobicContact CD2-CD1 3.89Å; F117-L126 HydrophobicContact CG-CD1 4.4Å; I118-L126 HydrophobicContact CG1-CD2 4.37Å; M121-L126 HydrophobicContact CG-CB 4.22Å; M121-L126 VanDerWaalsContact SD-CA 3.56Å; M121-L126 HydrophobicContact SD-CB 4.13Å; M121-L126 HydrophobicContact SD-CD1 4.41Å; S122-L126 PolarHBondContact O-N 3.27Å; E123-L126 WeakPolarHBondContact O-CB 3.17Å; E123-L126 PolarHBondContact O-N 2.86Å; E124-L126 VanDerWaalsContact C-N 3.35Å; L126-Q128 PolarHBondContact O-N 3.26Å; L126-Q129 VanDerWaalsContact O-CB 3.28Å; L126-Q129 WeakPolarHBondContact O-CB 3.42Å; L126-Q129 PolarHBondContact O-N 3.4Å; L126-F130 HydrophobicContact CD1-CE2 3.93Å; L126-F130 HydrophobicContact CG-CE2 4.07Å; L126-F130 VanDerWaalsContact O-CD2 3.31Å; L126-F130 WeakPolarHBondContact O-CD2 3.37Å; L126-Y186 WeakPolarHBondContact CB-OH 3.32Å; L126-Y186 HydrophobicContact CD2-CE2 3.79Å; L126-Y186 WeakPolarHBondContact CD2-OH 3.44Å; L126-I199 HydrophobicContact CD2-CD1 4.31Å |
| 127 | L | 91 | Very high | 80.3 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.9 | -38.3 | 176.7 | -176.5 | 64.6 | 0 | 0 | 0 | 111.8 | E123 E124 Q129 F130 S131 L149 L198 | E123-L127 PolarHBondContact O-N 2.95Å; E124-L127 PolarHBondContact O-N 3.12Å; L127-Q129 PolarHBondContact O-N 3.09Å; L127-F130 WeakPolarHBondContact O-CB 3.4Å; L127-F130 PolarHBondContact O-N 2.96Å; L127-S131 PolarHBondContact O-N 2.87Å; L127-L149 HydrophobicContact CD1-CB 4.19Å; L127-L149 HydrophobicContact CD1-CD2 4.01Å; L127-L198 HydrophobicContact CD2-CD1 4.46Å |
| 128 | Q | 89.7 | Confident | 78.2 | Confident | 117 Ų | 117 | 73.8 Ų | 73.8 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.1 | -31.6 | 176 | -68.4 | 171.1 | 29 | 0 | 0 | 112.5 | E124 E125 L126 F130 S131 | E124-Q128 WeakPolarHBondContact O-CG 3.34Å; E124-Q128 PolarHBondContact O-N 3Å; E125-Q128 WeakPolarHBondContact O-CB 3.34Å; E125-Q128 PolarHBondContact O-N 3.49Å; L126-Q128 PolarHBondContact O-N 3.26Å; Q128-F130 PolarHBondContact O-N 3.35Å; Q128-S131 WeakPolarHBondContact CA-OG 3.24Å; Q128-S131 PolarHBondContact O-N 3.39Å; Q128-S131 VanDerWaalsContact O-N 3.13Å; Q128-S131 PolarHBondContact O-OG 3.23Å |
| 129 | Q | 92.4 | Very high | 75.8 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 6% | 0.056 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.6 | -20.9 | 176.1 | -57.8 | -61.3 | -30.7 | 0 | 0 | 113.3 | N68 F74 M121 E125 L126 L127 | N68-Q129 PolarHBondContact ND2-O 2.94Å; N68-Q129 PolarHBondContact ND2-OE1 3.46Å; F74-Q129 HydrophobicContact CD1-CB 4.27Å; M121-Q129 HydrophobicContact CE-CG 4.34Å; M121-Q129 HydrophobicContact SD-CG 3.79Å; E125-Q129 PolarHBondContact O-N 2.91Å; L126-Q129 VanDerWaalsContact O-CB 3.28Å; L126-Q129 WeakPolarHBondContact O-CB 3.42Å; L126-Q129 PolarHBondContact O-N 3.4Å; L127-Q129 PolarHBondContact O-N 3.09Å |
| 130 | F | 90.6 | Very high | 73.4 | Confident | 7 Ų | 7 | 81.3 Ų | 81.3 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -90.8 | -16.6 | 175.2 | -71 | -92.2 | 0 | 0 | 0 | 113.4 | F74 V78 L126 L127 Q128 L148 L149 L152 F183 | F74-F130 HydrophobicContact CE1-CD1 4.2Å; F74-F130 HydrophobicContact CE1-CD2 4.26Å; F74-F130 AromaticContact CE1-CE1 3.72Å; F74-F130 HydrophobicContact CE1-CE1 3.72Å; F74-F130 AromaticContact CE1-CE2 3.77Å; F74-F130 HydrophobicContact CE1-CE2 3.77Å; F74-F130 HydrophobicContact CE1-CG 4.45Å; F74-F130 AromaticContact CE1-CZ 3.48Å; F74-F130 HydrophobicContact CE1-CZ 3.48Å; F74-F130 VanDerWaalsContact CE1-CZ 3.48Å; F74-F130 HydrophobicContact CZ-CE1 4.24Å; F74-F130 HydrophobicContact CZ-CE2 4.47Å; F74-F130 AromaticContact CZ-CZ 3.9Å; F74-F130 HydrophobicContact CZ-CZ 3.9Å; V78-F130 HydrophobicContact CG1-CE1 4.48Å; V78-F130 HydrophobicContact CG2-CD1 4.49Å; V78-F130 HydrophobicContact CG2-CE1 3.98Å; L126-F130 HydrophobicContact CD1-CE2 3.93Å; L126-F130 HydrophobicContact CG-CE2 4.07Å; L126-F130 VanDerWaalsContact O-CD2 3.31Å; L126-F130 WeakPolarHBondContact O-CD2 3.37Å; L127-F130 WeakPolarHBondContact O-CB 3.4Å; L127-F130 PolarHBondContact O-N 2.96Å; Q128-F130 PolarHBondContact O-N 3.35Å; F130-L148 HydrophobicContact CB-CB 4.32Å; F130-L148 HydrophobicContact CD1-CB 4.3Å; F130-L148 HydrophobicContact CD1-CD2 4.24Å; F130-L148 HydrophobicContact CD1-CG 4.12Å; F130-L149 HydrophobicContact CB-CB 4.47Å; F130-L149 HydrophobicContact CD1-CB 4.19Å; F130-L149 HydrophobicContact CD2-CB 4.14Å; F130-L149 HydrophobicContact CD2-CD1 4.37Å; F130-L149 HydrophobicContact CE1-CB 4.46Å; F130-L149 HydrophobicContact CE1-CD1 4.24Å; F130-L149 HydrophobicContact CE2-CB 4.43Å; F130-L149 HydrophobicContact CE2-CD1 3.83Å; F130-L149 HydrophobicContact CG-CB 4.02Å; F130-L149 HydrophobicContact CZ-CD1 3.74Å; F130-L152 HydrophobicContact CE1-CD2 3.78Å; F130-L152 HydrophobicContact CZ-CD2 4.09Å; F130-F183 HydrophobicContact CZ-CZ 4.46Å |
| 131 | S | 79.3 | Confident | 70.8 | Confident | 81 Ų | 81 | 80.1 Ų | 80.1 | 57% | 0.566 | 46% | 0.461 | S | S | * | . | trans | -87.8 | -4.2 | -165.2 | 70.7 | 0 | 0 | 0 | 0 | 116.2 | L127 Q128 Q133 | L127-S131 PolarHBondContact O-N 2.87Å; Q128-S131 WeakPolarHBondContact CA-OG 3.24Å; Q128-S131 PolarHBondContact O-N 3.39Å; Q128-S131 VanDerWaalsContact O-N 3.13Å; Q128-S131 PolarHBondContact O-OG 3.23Å; S131-Q133 PolarHBondContact O-N 3.47Å | ||
| 132 | F | 68.3 | Low | 68.2 | Low | 58 Ų | 58 | 89 Ų | 89 | 25% | 0.254 | 50% | 0.502 | S | S | . | . | trans | -68.3 | 124.4 | -176.4 | -174.5 | -92.4 | 0 | 0 | 0 | 112.2 | P69 R70 R79 E134 | P69-F132 WeakPolarHBondContact O-CD2 3.16Å; R70-F132 VanDerWaalsContact O-CE2 3.3Å; R70-F132 WeakPolarHBondContact O-CE2 3.39Å; R70-F132 WeakPolarHBondContact O-CZ 3.48Å; R79-F132 PolarHBondContact NH2-O 3Å; F132-E134 HydrophobicContact CE1-CB 4.4Å | ||
| 133 | Q | 60.3 | Low | 65.7 | Low | 108 Ų | 108 | 90.4 Ų | 90.4 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | trans | -124 | 128.2 | 168.2 | -72.9 | -177.7 | -6.5 | 0 | 0 | 109.2 | S131 R135 | S131-Q133 PolarHBondContact O-N 3.47Å; Q133-R135 PolarHBondContact O-N 3.48Å; Q133-R135 VanDerWaalsContact O-N 3.1Å | ||
| 134 | E | 52.2 | Low | 63.4 | Low | 152 Ų | 152 | 92.6 Ų | 92.6 | 71% | 0.71 | 55% | 0.545 | S | S | * | . | trans | -65 | 110 | 174.5 | -168.4 | 177 | -173.4 | 0 | 0 | 109.2 | F132 A136 | F132-E134 HydrophobicContact CE1-CB 4.4Å; E134-A136 PolarHBondContact O-N 2.96Å | ||
| 135 | R | 47.3 | Very low | 61.6 | Low | 238 Ų | 238 | 92 Ų | 92 | 90% | 0.898 | 55% | 0.553 | S | S | * | * | trans | -73.3 | 97.1 | 173.6 | -76.7 | -174.9 | -179.7 | 172.8 | 1.2 | 109 | Q133 | Q133-R135 PolarHBondContact O-N 3.48Å; Q133-R135 VanDerWaalsContact O-N 3.1Å | ||
| 136 | A | 46.7 | Very low | 60.5 | Low | 59 Ų | 59 | 95 Ų | 95 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | trans | -57 | 130.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E134 G138 S139 | E134-A136 PolarHBondContact O-N 2.96Å; A136-G138 PolarHBondContact O-N 2.84Å; A136-S139 PolarHBondContact O-N 2.64Å | ||
| 137 | P | 40 | Very low | 60.2 | Low | 142 Ų | 142 | 97.5 Ų | 97.5 | 92% | 0.922 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 109.1 | 177.5 | 23.5 | -29.9 | 0 | 0 | 0 | 109.5 | ||
| 138 | G | 51.1 | Low | 60.3 | Low | 81 Ų | 81 | 95.3 Ų | 95.3 | 84% | 0.835 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.2 | -4.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | A136 C140 | A136-G138 PolarHBondContact O-N 2.84Å; G138-C140 PolarHBondContact O-N 3.25Å |
| 139 | S | 44.2 | Very low | 60.4 | Low | 89 Ų | 89 | 89.9 Ų | 89.9 | 62% | 0.622 | 54% | 0.544 | S | S | * | . | trans | -80 | 95.5 | 172.2 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | A136 G141 | A136-S139 PolarHBondContact O-N 2.64Å; S139-G141 PolarHBondContact O-N 3.05Å | ||
| 140 | C | 42.7 | Very low | 60.4 | Low | 142 Ų | 142 | 91.6 Ų | 91.6 | 96% | 0.959 | 55% | 0.552 | S | S | * | * | trans | -86.4 | 91.9 | 155.9 | -74 | 0 | 0 | 0 | 0 | 107 | G138 | G138-C140 PolarHBondContact O-N 3.25Š| ||
| 141 | G | 37.5 | Very low | 60.6 | Low | 52 Ų | 52 | 93.7 Ų | 93.7 | 54% | 0.536 | 56% | 0.561 | S | S | . | * | trans | -151.1 | 112.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S139 A143 | S139-G141 PolarHBondContact O-N 3.05Å; G141-A143 PolarHBondContact O-N 3.31Å | ||
| 142 | E | 40.2 | Very low | 61.4 | Low | 205 Ų | 205 | 89.8 Ų | 89.8 | 96% | 0.958 | 53% | 0.534 | S | S | * | . | trans | -58.9 | 71.1 | 154.3 | -65.1 | 171.2 | 160 | 0 | 0 | 108.5 | G144 | E142-G144 PolarHBondContact O-N 3.33Š| ||
| 143 | A | 39 | Very low | 62.7 | Low | 73 Ų | 73 | 87 Ų | 87 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | trans | -75.1 | 110 | 160.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | G141 S145 | G141-A143 PolarHBondContact O-N 3.31Å; A143-S145 PolarHBondContact O-N 3.3Å | ||
| 144 | G | 42.3 | Very low | 64.4 | Low | 68 Ų | 68 | 82.1 Ų | 82.1 | 70% | 0.701 | 50% | 0.5 | S | S | * | . | trans | -43.3 | 118.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | E142 E146 | E142-G144 PolarHBondContact O-N 3.33Å; G144-E146 VanDerWaalsContact C-N 3.31Å; G144-E146 PolarHBondContact O-N 3.47Å | ||
| 145 | S | 53.1 | Low | 66.5 | Low | 100 Ų | 100 | 76.3 Ų | 76.3 | 70% | 0.699 | 47% | 0.473 | S | S | * | . | trans | -65.2 | 96.1 | -177.1 | 56.7 | 0 | 0 | 0 | 0 | 107.7 | A143 D147 | A143-S145 PolarHBondContact O-N 3.3Å; S145-D147 PolarHBondContact O-N 2.91Å | ||
| 146 | E | 69.4 | Low | 68.9 | Low | 156 Ų | 156 | 65 Ų | 65 | 73% | 0.729 | 43% | 0.431 | S | S | * | . | trans | -58 | 122.9 | 172.4 | -73.2 | -178.9 | 158.4 | 0 | 0 | 107.8 | G144 L148 | G144-E146 VanDerWaalsContact C-N 3.31Å; G144-E146 PolarHBondContact O-N 3.47Å; E146-L148 PolarHBondContact O-N 3.33Å | ||
| 147 | D | 87.2 | Confident | 71.3 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 28% | 0.283 | 41% | 0.408 | S | S | . | . | trans | -71.5 | 97.5 | 176.4 | -169.1 | -34.2 | 0 | 0 | 0 | 108.7 | S145 L149 E150 E151 H202 | S145-D147 PolarHBondContact O-N 2.91Å; D147-L149 PolarHBondContact O-N 3.38Å; D147-L149 WeakPolarHBondContact OD1-CB 3.33Å; D147-L149 PolarHBondContact OD1-N 2.93Å; D147-E150 HydrophobicContact CB-CB 3.86Å; D147-E150 PolarHBondContact O-N 2.77Å; D147-E150 PolarHBondContact OD1-N 3.4Å; D147-E151 PolarHBondContact O-N 2.92Å; D147-H202 IonicContact OD2-NE2 3.72Å; D147-H202 PolarHBondContact OD2-NE2 3.07Å | ||
| 148 | L | 92.1 | Very high | 73.9 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.7 | -25.7 | -177 | -173.1 | 65.7 | 0 | 0 | 0 | 112.3 | V78 R79 L82 F130 E146 L152 | V78-L148 HydrophobicContact CB-CD2 4.16Å; V78-L148 HydrophobicContact CB-CG 4.41Å; V78-L148 HydrophobicContact CG1-CD1 3.9Å; V78-L148 HydrophobicContact CG1-CD2 4.13Å; V78-L148 HydrophobicContact CG1-CG 3.83Å; R79-L148 HydrophobicContact CG-CD1 3.84Å; R79-L148 HydrophobicContact CG-CD2 4.3Å; L82-L148 HydrophobicContact CD1-CD1 3.67Å; F130-L148 HydrophobicContact CB-CB 4.32Å; F130-L148 HydrophobicContact CD1-CB 4.3Å; F130-L148 HydrophobicContact CD1-CD2 4.24Å; F130-L148 HydrophobicContact CD1-CG 4.12Å; E146-L148 PolarHBondContact O-N 3.33Å; L148-L152 WeakPolarHBondContact O-CB 3.46Å; L148-L152 PolarHBondContact O-N 3.33Å |
| 149 | L | 93.2 | Very high | 76 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.7 | -46.5 | 173.9 | 174.4 | 62.6 | 0 | 0 | 0 | 109.9 | L127 F130 D147 E151 L152 L153 F183 | L127-L149 HydrophobicContact CD1-CB 4.19Å; L127-L149 HydrophobicContact CD1-CD2 4.01Å; F130-L149 HydrophobicContact CB-CB 4.47Å; F130-L149 HydrophobicContact CD1-CB 4.19Å; F130-L149 HydrophobicContact CD2-CB 4.14Å; F130-L149 HydrophobicContact CD2-CD1 4.37Å; F130-L149 HydrophobicContact CE1-CB 4.46Å; F130-L149 HydrophobicContact CE1-CD1 4.24Å; F130-L149 HydrophobicContact CE2-CB 4.43Å; F130-L149 HydrophobicContact CE2-CD1 3.83Å; F130-L149 HydrophobicContact CG-CB 4.02Å; F130-L149 HydrophobicContact CZ-CD1 3.74Å; D147-L149 PolarHBondContact O-N 3.38Å; D147-L149 WeakPolarHBondContact OD1-CB 3.33Å; D147-L149 PolarHBondContact OD1-N 2.93Å; L149-E151 VanDerWaalsContact C-N 3.29Å; L149-E151 PolarHBondContact O-N 3.49Å; L149-L152 PolarHBondContact O-N 3.22Å; L149-L153 HydrophobicContact CD1-CD1 4.1Å; L149-L153 HydrophobicContact CD1-CG 4.12Å; L149-L153 HydrophobicContact CG-CD1 4.1Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 WeakPolarHBondContact O-CG 3.21Å; L149-L153 PolarHBondContact O-N 2.86Å; L149-F183 HydrophobicContact CD1-CD1 4.45Å; L149-F183 HydrophobicContact CD1-CE1 3.73Å; L149-F183 HydrophobicContact CD1-CZ 4.16Å |
| 150 | E | 92.8 | Very high | 78.5 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 173.4 | -168.9 | -175 | -173.1 | 0 | 0 | 110.8 | D147 L152 L153 L154 | D147-E150 HydrophobicContact CB-CB 3.86Å; D147-E150 PolarHBondContact O-N 2.77Å; D147-E150 PolarHBondContact OD1-N 3.4Å; E150-L152 PolarHBondContact O-N 2.89Å; E150-L153 PolarHBondContact O-N 3.14Å; E150-L154 WeakPolarHBondContact O-CB 3.22Å; E150-L154 PolarHBondContact O-N 3.04Å |
| 151 | E | 93.9 | Very high | 81 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 179.4 | -165.6 | -178.9 | -179 | 0 | 0 | 112.2 | L82 D147 L149 N155 | L82-E151 HydrophobicContact CD1-CB 4.35Å; L82-E151 HydrophobicContact CD1-CG 3.93Å; L82-E151 HydrophobicContact CD2-CG 4.33Å; D147-E151 PolarHBondContact O-N 2.92Å; L149-E151 VanDerWaalsContact C-N 3.29Å; L149-E151 PolarHBondContact O-N 3.49Å; E151-N155 VanDerWaalsContact O-CB 3.23Å; E151-N155 WeakPolarHBondContact O-CB 3.35Å; E151-N155 PolarHBondContact O-N 3.07Å |
| 152 | L | 95.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -51.4 | 174.8 | 175.9 | 59.6 | 0 | 0 | 0 | 111.3 | V78 F81 I110 F130 L148 L149 E150 L154 N155 L156 F183 | V78-L152 HydrophobicContact CG1-CB 4.1Å; V78-L152 HydrophobicContact CG1-CD1 4.33Å; V78-L152 HydrophobicContact CG1-CD2 4.18Å; V78-L152 HydrophobicContact CG1-CG 4.43Å; V78-L152 HydrophobicContact CG2-CD2 4.34Å; F81-L152 HydrophobicContact CD1-CD1 3.79Å; F81-L152 HydrophobicContact CE1-CD1 3.61Å; I110-L152 HydrophobicContact CG2-CD2 4.07Å; F130-L152 HydrophobicContact CE1-CD2 3.78Å; F130-L152 HydrophobicContact CZ-CD2 4.09Å; L148-L152 WeakPolarHBondContact O-CB 3.46Å; L148-L152 PolarHBondContact O-N 3.33Å; L149-L152 PolarHBondContact O-N 3.22Å; E150-L152 PolarHBondContact O-N 2.89Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 3.19Å; L152-N155 WeakPolarHBondContact O-CB 3.27Å; L152-N155 PolarHBondContact O-N 2.87Å; L152-N155 VanDerWaalsContact O-N 3.16Å; L152-L156 HydrophobicContact CD1-CD1 4.44Å; L152-L156 HydrophobicContact CD1-CG 4.28Å; L152-L156 HydrophobicContact CG-CD1 4.38Å; L152-L156 VanDerWaalsContact O-CG 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.72Å; L152-F183 HydrophobicContact CD2-CE2 4.16Å; L152-F183 HydrophobicContact CD2-CZ 3.76Å |
| 153 | L | 95.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | -179.6 | -72.2 | 176.1 | 0 | 0 | 0 | 111.4 | L149 E150 N155 L156 V157 L180 F183 I199 H202 I203 | L149-L153 HydrophobicContact CD1-CD1 4.1Å; L149-L153 HydrophobicContact CD1-CG 4.12Å; L149-L153 HydrophobicContact CG-CD1 4.1Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 WeakPolarHBondContact O-CG 3.21Å; L149-L153 PolarHBondContact O-N 2.86Å; E150-L153 PolarHBondContact O-N 3.14Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-N155 PolarHBondContact O-N 3.4Å; L153-L156 PolarHBondContact O-N 2.98Å; L153-V157 WeakPolarHBondContact O-CG2 3.4Å; L153-V157 PolarHBondContact O-N 2.87Å; L153-V157 VanDerWaalsContact O-N 3.11Å; L153-L180 HydrophobicContact CD2-CD2 4.4Å; L153-F183 HydrophobicContact CD2-CB 4.22Å; L153-F183 HydrophobicContact CD2-CD1 4.25Å; L153-F183 HydrophobicContact CD2-CD2 3.6Å; L153-F183 HydrophobicContact CD2-CE2 3.92Å; L153-F183 HydrophobicContact CD2-CG 3.78Å; L153-F183 HydrophobicContact CD2-CZ 4.39Å; L153-I199 HydrophobicContact CD1-CG2 4.48Å; L153-H202 HydrophobicContact CD1-CB 3.69Å; L153-I203 HydrophobicContact CB-CD1 3.94Å; L153-I203 HydrophobicContact CD1-CG1 4.37Å; L153-I203 HydrophobicContact CD2-CD1 4.38Å |
| 154 | L | 95.9 | Very high | 88.5 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 176 | -179.9 | 66 | 0 | 0 | 0 | 111.8 | E150 L152 V157 H158 R207 L211 | E150-L154 WeakPolarHBondContact O-CB 3.22Å; E150-L154 PolarHBondContact O-N 3.04Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 3.19Å; L154-V157 PolarHBondContact O-N 3.03Å; L154-H158 PolarHBondContact O-CD2 3.37Å; L154-H158 VanDerWaalsContact O-CD2 3.31Å; L154-H158 PolarHBondContact O-N 2.74Å; L154-R207 HydrophobicContact CD1-CB 4Å; L154-R207 HydrophobicContact CD2-CB 3.82Å; L154-L211 HydrophobicContact CD1-CD1 3.75Å |
| 155 | N | 96.3 | Very high | 90.8 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 16% | 0.16 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 176.6 | -172.2 | -85.1 | 0 | 0 | 0 | 111.8 | L82 T85 E151 L152 L153 V157 H158 L159 | L82-N155 HydrophobicContact CD2-CB 3.46Å; L82-N155 VanDerWaalsContact CD2-CB 3.46Å; T85-N155 WeakPolarHBondContact CG2-OD1 3.43Å; T85-N155 PolarHBondContact OG1-ND2 2.76Å; E151-N155 VanDerWaalsContact O-CB 3.23Å; E151-N155 WeakPolarHBondContact O-CB 3.35Å; E151-N155 PolarHBondContact O-N 3.07Å; L152-N155 WeakPolarHBondContact O-CB 3.27Å; L152-N155 PolarHBondContact O-N 2.87Å; L152-N155 VanDerWaalsContact O-N 3.16Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-N155 PolarHBondContact O-N 3.4Å; N155-V157 VanDerWaalsContact C-N 3.33Å; N155-V157 PolarHBondContact O-N 3.37Å; N155-H158 CarbonylContact O-C 3.6Å; N155-H158 PolarHBondContact O-N 3.35Å; N155-L159 WeakPolarHBondContact O-CG 3.45Å; N155-L159 PolarHBondContact O-N 3.33Å; N155-L159 WeakPolarHBondContact OD1-CD1 3.42Å |
| 156 | L | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 175.8 | -64.8 | 172.9 | 0 | 0 | 0 | 112.2 | F81 L107 L152 L153 T160 A176 T179 L180 F183 | F81-L156 HydrophobicContact CE1-CD2 4.46Å; F81-L156 HydrophobicContact CZ-CD2 4.32Å; L107-L156 HydrophobicContact CD1-CD2 3.57Å; L107-L156 HydrophobicContact CD2-CD2 3.93Å; L107-L156 HydrophobicContact CG-CD2 4.41Å; L152-L156 HydrophobicContact CD1-CD1 4.44Å; L152-L156 HydrophobicContact CD1-CG 4.28Å; L152-L156 HydrophobicContact CG-CD1 4.38Å; L152-L156 VanDerWaalsContact O-CG 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.72Å; L153-L156 PolarHBondContact O-N 2.98Å; L156-T160 PolarHBondContact O-N 2.77Å; L156-T160 VanDerWaalsContact O-N 3.12Å; L156-T160 PolarHBondContact O-OG1 2.94Å; L156-A176 HydrophobicContact CD2-CB 4.2Å; L156-T179 HydrophobicContact CD1-CG2 3.8Å; L156-T179 HydrophobicContact CD2-CG2 4.45Å; L156-L180 HydrophobicContact CB-CD1 4.17Å; L156-L180 HydrophobicContact CB-CD2 3.81Å; L156-L180 HydrophobicContact CB-CG 3.82Å; L156-L180 HydrophobicContact CD1-CD2 4.02Å; L156-L180 HydrophobicContact CD1-CG 4.17Å; L156-F183 HydrophobicContact CD1-CD2 4.19Å; L156-F183 HydrophobicContact CD1-CE2 3.89Å |
| 157 | V | 97.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 173.4 | 177.6 | 0 | 0 | 0 | 0 | 110 | L153 L154 N155 L159 T160 V161 L180 I203 L211 L215 | L153-V157 WeakPolarHBondContact O-CG2 3.4Å; L153-V157 PolarHBondContact O-N 2.87Å; L153-V157 VanDerWaalsContact O-N 3.11Å; L154-V157 PolarHBondContact O-N 3.03Å; N155-V157 VanDerWaalsContact C-N 3.33Å; N155-V157 PolarHBondContact O-N 3.37Å; V157-L159 PolarHBondContact O-N 3.07Å; V157-T160 WeakPolarHBondContact O-CB 3.47Å; V157-T160 PolarHBondContact O-N 3.36Å; V157-T160 VanDerWaalsContact O-N 3.15Å; V157-V161 HydrophobicContact CG1-CG1 4.45Å; V157-V161 WeakPolarHBondContact O-CG1 3.35Å; V157-V161 WeakPolarHBondContact O-CG2 3.5Å; V157-V161 PolarHBondContact O-N 3.07Å; V157-L180 HydrophobicContact CG2-CD1 4.46Å; V157-L180 HydrophobicContact CG2-CD2 4.39Å; V157-I203 HydrophobicContact CG2-CD1 4Å; V157-L211 HydrophobicContact CB-CD1 4.3Å; V157-L211 HydrophobicContact CG1-CB 3.68Å; V157-L211 HydrophobicContact CG1-CD1 3.66Å; V157-L211 HydrophobicContact CG1-CG 4.34Å; V157-L215 HydrophobicContact CG1-CB 4.39Å; V157-L215 HydrophobicContact CG1-CD1 4.46Å; V157-L215 HydrophobicContact CG1-CD2 4.18Å; V157-L215 HydrophobicContact CG2-CD2 4.22Å |
| 158 | H | 95.7 | Very high | 93.2 | Very high | 68 Ų | 68 | 33.3 Ų | 33.3 | 32% | 0.315 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 176.4 | -85.8 | -62.1 | 0 | 0 | 0 | 112.9 | L154 N155 T160 V161 E162 | L154-H158 PolarHBondContact O-CD2 3.37Å; L154-H158 VanDerWaalsContact O-CD2 3.31Å; L154-H158 PolarHBondContact O-N 2.74Å; N155-H158 CarbonylContact O-C 3.6Å; N155-H158 PolarHBondContact O-N 3.35Å; H158-T160 PolarHBondContact O-N 3.35Å; H158-V161 PolarHBondContact O-N 2.8Å; H158-E162 HydrophobicContact CB-CG 4.42Å; H158-E162 IonicContact ND1-OE1 3.93Å; H158-E162 WeakPolarHBondContact O-CB 3.4Å; H158-E162 WeakPolarHBondContact O-CG 3.48Å; H158-E162 PolarHBondContact O-N 2.94Å |
| 159 | L | 95.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.3 | -45.6 | 175.7 | -74 | 177 | 0 | 0 | 0 | 110.5 | F81 T85 L88 N155 V157 V161 V163 L173 A176 | F81-L159 HydrophobicContact CE2-CD1 4.25Å; F81-L159 HydrophobicContact CZ-CD1 3.63Å; T85-L159 HydrophobicContact CG2-CD1 4.05Å; T85-L159 HydrophobicContact CG2-CD2 4.19Å; L88-L159 HydrophobicContact CD1-CD2 3.32Å; N155-L159 WeakPolarHBondContact O-CG 3.45Å; N155-L159 PolarHBondContact O-N 3.33Å; N155-L159 WeakPolarHBondContact OD1-CD1 3.42Å; V157-L159 PolarHBondContact O-N 3.07Å; L159-V161 VanDerWaalsContact C-N 3.35Å; L159-V161 PolarHBondContact O-N 3.03Å; L159-V163 HydrophobicContact CD2-CG2 3.87Å; L159-V163 VanDerWaalsContact O-CB 3.3Å; L159-V163 WeakPolarHBondContact O-CB 3.39Å; L159-V163 PolarHBondContact O-N 3.34Å; L159-L173 WeakPolarHBondContact O-CD2 3.49Å; L159-A176 HydrophobicContact CB-CB 4.3Å; L159-A176 HydrophobicContact CD1-CB 4.47Å |
| 160 | T | 96.1 | Very high | 93 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -34 | -178.6 | -53.5 | 0 | 0 | 0 | 0 | 112.4 | L156 V157 H158 V177 L215 T218 L219 | L156-T160 PolarHBondContact O-N 2.77Å; L156-T160 VanDerWaalsContact O-N 3.12Å; L156-T160 PolarHBondContact O-OG1 2.94Å; V157-T160 WeakPolarHBondContact O-CB 3.47Å; V157-T160 PolarHBondContact O-N 3.36Å; V157-T160 VanDerWaalsContact O-N 3.15Å; H158-T160 PolarHBondContact O-N 3.35Å; T160-V177 HydrophobicContact CG2-CG2 4Å; T160-L215 HydrophobicContact CG2-CD1 3.71Å; T160-T218 HydrophobicContact CG2-CG2 4.41Å; T160-T218 WeakPolarHBondContact O-CG2 3.43Å; T160-L219 HydrophobicContact CG2-CD2 4.31Å |
| 161 | V | 95.4 | Very high | 92.8 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -103.3 | -17.6 | -173.2 | -54 | 0 | 0 | 0 | 0 | 115.9 | V157 H158 L159 L211 R214 L215 | V157-V161 HydrophobicContact CG1-CG1 4.45Å; V157-V161 WeakPolarHBondContact O-CG1 3.35Å; V157-V161 WeakPolarHBondContact O-CG2 3.5Å; V157-V161 PolarHBondContact O-N 3.07Å; H158-V161 PolarHBondContact O-N 2.8Å; L159-V161 VanDerWaalsContact C-N 3.35Å; L159-V161 PolarHBondContact O-N 3.03Å; V161-L211 HydrophobicContact CG2-CD2 4.34Å; V161-R214 HydrophobicContact CB-CB 4.09Å; V161-R214 HydrophobicContact CG1-CB 4.07Å; V161-R214 PolarHBondContact O-NH2 3.43Å; V161-L215 VanDerWaalsContact CG1-CA 3.49Å; V161-L215 HydrophobicContact CG1-CB 3.99Å; V161-L215 HydrophobicContact CG1-CD1 4.07Å |
| 162 | E | 92.3 | Very high | 92.7 | Very high | 100 Ų | 100 | 31 Ų | 31 | 47% | 0.467 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -106.3 | -34.2 | -177.4 | -59.7 | -66.1 | 170.5 | 0 | 0 | 113 | H158 R214 | H158-E162 HydrophobicContact CB-CG 4.42Å; H158-E162 IonicContact ND1-OE1 3.93Å; H158-E162 WeakPolarHBondContact O-CB 3.4Å; H158-E162 WeakPolarHBondContact O-CG 3.48Å; H158-E162 PolarHBondContact O-N 2.94Å; E162-R214 IonicContact OE1-CZ 3.12Å; E162-R214 IonicContact OE1-NH1 2.64Å; E162-R214 PolarHBondContact OE1-NH1 3.08Å; E162-R214 IonicContact OE1-NH2 2.86Å; E162-R214 PolarHBondContact OE1-NH2 2.75Å; E162-R214 IonicContact OE2-CZ 3.79Å; E162-R214 IonicContact OE2-NH1 3.89Å; E162-R214 IonicContact OE2-NH2 2.81Å; E162-R214 PolarHBondContact OE2-NH2 3.29Å |
| 163 | V | 91.2 | Very high | 92.6 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 13% | 0.127 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -81.2 | 125.4 | -176.1 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | L159 T169 L173 | L159-V163 HydrophobicContact CD2-CG2 3.87Å; L159-V163 VanDerWaalsContact O-CB 3.3Å; L159-V163 WeakPolarHBondContact O-CB 3.39Å; L159-V163 PolarHBondContact O-N 3.34Å; V163-T169 HydrophobicContact CG1-CG2 3.65Å; V163-L173 HydrophobicContact CB-CD2 4.07Å; V163-L173 HydrophobicContact CG1-CD2 4.37Å |
| 164 | P | 90.4 | Very high | 92.5 | Very high | 68 Ų | 68 | 32.3 Ų | 32.3 | 44% | 0.442 | 18% | 0.175 | S | C | . | . | trans | -67.2 | 141.9 | 179.5 | 28.4 | -34.9 | 0 | 0 | 0 | 110.5 | T92 L166 T169 | T92-P164 HydrophobicContact CG2-CG 3.99Å; P164-L166 HydrophobicContact CB-CG 4.32Å; P164-L166 HydrophobicContact CG-CD1 4.07Å; P164-L166 HydrophobicContact CG-CG 4.35Å; P164-L166 PolarHBondContact O-N 3.19Å; P164-T169 PolarHBondContact O-OG1 3.28Å | ||
| 165 | L | 90.2 | Very high | 92.4 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | trans | -74.6 | 109.4 | 172.3 | -178.6 | 60.2 | 0 | 0 | 0 | 109.9 | Y170 L173 E227 L281 | L165-Y170 HydrophobicContact CD1-CD2 3.9Å; L165-L173 HydrophobicContact CB-CD1 4.02Å; L165-L173 HydrophobicContact CD1-CD1 3.66Å; L165-L173 HydrophobicContact CG-CD1 4.47Å; L165-E227 HydrophobicContact CD2-CB 4.31Å; L165-E227 HydrophobicContact CD2-CG 4.1Å; L165-E227 WeakPolarHBondContact CD2-OE1 3.49Å; L165-E227 VanDerWaalsContact CD2-OE2 3.32Å; L165-E227 WeakPolarHBondContact CD2-OE2 3.25Å; L165-E227 VanDerWaalsContact CG-OE2 3.24Å; L165-E227 WeakPolarHBondContact CG-OE2 3.37Å; L165-L281 HydrophobicContact CD1-CD2 3.43Å; L165-L281 VanDerWaalsContact CD1-CD2 3.43Å; L165-L281 HydrophobicContact CD2-CD2 3.87Å; L165-L281 HydrophobicContact CG-CD2 4.31Å | ||
| 166 | L | 89.4 | Confident | 92.5 | Very high | 77 Ų | 77 | 30.7 Ų | 30.7 | 40% | 0.403 | 17% | 0.166 | S | C | . | . | trans | -138.4 | 163.8 | 178.8 | -56.9 | 173.2 | 0 | 0 | 0 | 108.4 | T92 P164 I168 T169 Y170 | T92-L166 HydrophobicContact CG2-CD1 3.71Å; P164-L166 HydrophobicContact CB-CG 4.32Å; P164-L166 HydrophobicContact CG-CD1 4.07Å; P164-L166 HydrophobicContact CG-CG 4.35Å; P164-L166 PolarHBondContact O-N 3.19Å; L166-I168 VanDerWaalsContact C-N 3.25Å; L166-I168 HydrophobicContact CB-CG1 4.31Å; L166-I168 PolarHBondContact O-N 3.19Å; L166-T169 PolarHBondContact N-OG1 3.31Å; L166-T169 CarbonylContact O-C 3.6Å; L166-T169 PolarHBondContact O-N 2.89Å; L166-T169 PolarHBondContact O-OG1 3.14Å; L166-T169 VanDerWaalsContact O-OG1 3.14Å; L166-Y170 PolarHBondContact O-N 3.41Å | ||
| 167 | D | 86.1 | Confident | 92.5 | Very high | 117 Ų | 117 | 30.7 Ų | 30.7 | 63% | 0.626 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -41.3 | 178.7 | -68.1 | -1.1 | 0 | 0 | 0 | 113 | P230 | D167-P230 HydrophobicContact CB-CB 4.17Å; D167-P230 HydrophobicContact CB-CG 4.02Å |
| 168 | I | 84.4 | Confident | 92.4 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 24% | 0.241 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -25.7 | -179.3 | 61.1 | 172.8 | 0 | 0 | 0 | 113.4 | Q97 I100 L166 | Q97-I168 HydrophobicContact CG-CG2 4.13Å; I100-I168 HydrophobicContact CD1-CB 4.45Å; I100-I168 HydrophobicContact CD1-CD1 3.89Å; I100-I168 HydrophobicContact CD1-CG1 4.23Å; I100-I168 WeakPolarHBondContact CG2-O 3.31Å; L166-I168 VanDerWaalsContact C-N 3.25Å; L166-I168 HydrophobicContact CB-CG1 4.31Å; L166-I168 PolarHBondContact O-N 3.19Å |
| 169 | T | 89.6 | Confident | 92.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -8.4 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | T92 I100 V163 P164 L166 S171 I172 L173 | T92-T169 HydrophobicContact CG2-CG2 4.1Å; I100-T169 HydrophobicContact CD1-CG2 4.42Å; V163-T169 HydrophobicContact CG1-CG2 3.65Å; P164-T169 PolarHBondContact O-OG1 3.28Å; L166-T169 PolarHBondContact N-OG1 3.31Å; L166-T169 CarbonylContact O-C 3.6Å; L166-T169 PolarHBondContact O-N 2.89Å; L166-T169 PolarHBondContact O-OG1 3.14Å; L166-T169 VanDerWaalsContact O-OG1 3.14Å; T169-S171 VanDerWaalsContact C-N 3.34Å; T169-S171 PolarHBondContact O-N 3.37Å; T169-I172 WeakPolarHBondContact O-CG2 3.22Å; T169-I172 PolarHBondContact O-N 2.86Å; T169-L173 WeakPolarHBondContact O-CG 3.41Å; T169-L173 PolarHBondContact O-N 3.1Å |
| 170 | Y | 90.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -52.6 | -49.9 | -177.6 | -173.4 | -82.2 | 0 | 0 | 0 | 112.2 | L165 L166 I172 L173 F174 E227 C229 P230 P280 L281 | L165-Y170 HydrophobicContact CD1-CD2 3.9Å; L166-Y170 PolarHBondContact O-N 3.41Å; Y170-I172 PolarHBondContact O-N 2.87Å; Y170-L173 PolarHBondContact O-N 3.47Å; Y170-F174 HydrophobicContact CE1-CB 4.47Å; Y170-F174 WeakPolarHBondContact O-CB 3.21Å; Y170-F174 PolarHBondContact O-N 3.47Å; Y170-E227 HydrophobicContact CE2-CB 4.4Å; Y170-E227 PolarHBondContact OH-O 3.22Å; Y170-C229 HydrophobicContact CE1-CB 4.05Å; Y170-P230 HydrophobicContact CD1-CG 4.45Å; Y170-P230 HydrophobicContact CD2-CG 4.18Å; Y170-P230 HydrophobicContact CG-CG 3.9Å; Y170-P280 WeakPolarHBondContact OH-CD 3.32Å; Y170-L281 HydrophobicContact CD2-CD2 4.37Å; Y170-L281 HydrophobicContact CE1-CB 4.41Å; Y170-L281 HydrophobicContact CE2-CB 3.99Å; Y170-L281 HydrophobicContact CE2-CD2 4.16Å; Y170-L281 PolarHBondContact OH-N 2.87Å |
| 171 | S | 89.1 | Confident | 92.6 | Very high | 56 Ų | 56 | 26.9 Ų | 26.9 | 39% | 0.392 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66 | -39.6 | -175.1 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | H104 T169 E175 | H104-S171 PolarHBondContact CE1-O 3.3Å; H104-S171 PolarHBondContact ND1-O 3.18Å; H104-S171 VanDerWaalsContact ND1-O 3.16Å; T169-S171 VanDerWaalsContact C-N 3.34Å; T169-S171 PolarHBondContact O-N 3.37Å; S171-E175 VanDerWaalsContact O-CB 3.27Å; S171-E175 WeakPolarHBondContact O-CB 3.16Å; S171-E175 PolarHBondContact O-N 2.85Å |
| 172 | I | 91.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.9 | -35.6 | 177.5 | -170.7 | 168.2 | 0 | 0 | 0 | 111.7 | L88 I100 A103 H104 T169 Y170 E175 A176 | L88-I172 HydrophobicContact CD1-CD1 3.69Å; L88-I172 HydrophobicContact CD2-CD1 3.95Å; L88-I172 HydrophobicContact CG-CD1 4.49Å; I100-I172 HydrophobicContact CG2-CG2 4.05Å; A103-I172 HydrophobicContact CB-CD1 3.66Å; H104-I172 HydrophobicContact CB-CB 4.17Å; T169-I172 WeakPolarHBondContact O-CG2 3.22Å; T169-I172 PolarHBondContact O-N 2.86Å; Y170-I172 PolarHBondContact O-N 2.87Å; I172-E175 PolarHBondContact O-N 3.45Å; I172-A176 WeakPolarHBondContact O-CB 3.48Å; I172-A176 PolarHBondContact O-N 3.24Å |
| 173 | L | 94.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.2 | -44.6 | 174.8 | -71.5 | 173.8 | 0 | 0 | 0 | 111.6 | L159 V163 L165 T169 Y170 E175 A176 V177 | L159-L173 WeakPolarHBondContact O-CD2 3.49Å; V163-L173 HydrophobicContact CB-CD2 4.07Å; V163-L173 HydrophobicContact CG1-CD2 4.37Å; L165-L173 HydrophobicContact CB-CD1 4.02Å; L165-L173 HydrophobicContact CD1-CD1 3.66Å; L165-L173 HydrophobicContact CG-CD1 4.47Å; T169-L173 WeakPolarHBondContact O-CG 3.41Å; T169-L173 PolarHBondContact O-N 3.1Å; Y170-L173 PolarHBondContact O-N 3.47Å; L173-E175 VanDerWaalsContact C-N 3.32Å; L173-E175 PolarHBondContact O-N 3.01Å; L173-A176 PolarHBondContact O-N 3.13Å; L173-V177 WeakPolarHBondContact O-CG2 3.13Å; L173-V177 PolarHBondContact O-N 3.43Å |
| 174 | F | 93.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 20.4 Ų | 20.4 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 173.4 | 176.5 | -113.6 | 0 | 0 | 0 | 111.6 | Y170 A176 T178 P280 L281 Q284 V652 | Y170-F174 HydrophobicContact CE1-CB 4.47Å; Y170-F174 WeakPolarHBondContact O-CB 3.21Å; Y170-F174 PolarHBondContact O-N 3.47Å; F174-A176 PolarHBondContact O-N 3.09Å; F174-T178 WeakPolarHBondContact O-CB 3.45Å; F174-T178 PolarHBondContact O-N 3.24Å; F174-T178 PolarHBondContact O-OG1 3.49Å; F174-P280 HydrophobicContact CD2-CB 3.84Å; F174-P280 HydrophobicContact CE1-CB 4.45Å; F174-P280 HydrophobicContact CE2-CB 3.45Å; F174-P280 VanDerWaalsContact CE2-CB 3.45Å; F174-P280 HydrophobicContact CG-CB 4.49Å; F174-P280 HydrophobicContact CZ-CB 3.8Å; F174-L281 HydrophobicContact CB-CD1 4.29Å; F174-L281 HydrophobicContact CD2-CB 4.44Å; F174-Q284 HydrophobicContact CD2-CB 4.31Å; F174-Q284 HydrophobicContact CE2-CB 3.89Å; F174-Q284 HydrophobicContact CE2-CG 4.12Å; F174-V652 HydrophobicContact CE2-CB 4.42Å; F174-V652 HydrophobicContact CZ-CB 4.13Å; F174-V652 HydrophobicContact CZ-CG1 4.08Å |
| 175 | E | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 177.9 | -163.3 | 66.5 | -147.7 | 0 | 0 | 112.2 | H104 L107 F108 R111 S171 I172 L173 T178 T179 | H104-E175 IonicContact CE1-OE2 3.84Å; L107-E175 HydrophobicContact CB-CG 4.17Å; L107-E175 HydrophobicContact CD2-CB 4.04Å; L107-E175 HydrophobicContact CD2-CG 3.92Å; L107-E175 HydrophobicContact CG-CB 4.43Å; L107-E175 HydrophobicContact CG-CG 3.76Å; F108-E175 VanDerWaalsContact CA-OE1 3.29Å; F108-E175 WeakPolarHBondContact CA-OE1 3.4Å; F108-E175 HydrophobicContact CB-CG 4.18Å; F108-E175 WeakPolarHBondContact CD2-OE1 3.28Å; R111-E175 WeakPolarHBondContact CD-OE1 3.27Å; R111-E175 IonicContact CZ-OE1 3.14Å; R111-E175 IonicContact NE-OE1 3.64Å; R111-E175 PolarHBondContact NE-OE1 3.44Å; R111-E175 IonicContact NH2-OE1 3.58Å; S171-E175 VanDerWaalsContact O-CB 3.27Å; S171-E175 WeakPolarHBondContact O-CB 3.16Å; S171-E175 PolarHBondContact O-N 2.85Å; I172-E175 PolarHBondContact O-N 3.45Å; L173-E175 VanDerWaalsContact C-N 3.32Å; L173-E175 PolarHBondContact O-N 3.01Å; E175-T178 PolarHBondContact O-N 3.09Å; E175-T179 WeakPolarHBondContact O-CB 3.27Å; E175-T179 PolarHBondContact O-N 3.17Å; E175-T179 PolarHBondContact O-OG1 3.11Å |
| 176 | A | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.8 | -48.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L107 L156 L159 I172 L173 F174 T178 T179 L180 | L107-A176 HydrophobicContact CD2-CB 4.14Å; L156-A176 HydrophobicContact CD2-CB 4.2Å; L159-A176 HydrophobicContact CB-CB 4.3Å; L159-A176 HydrophobicContact CD1-CB 4.47Å; I172-A176 WeakPolarHBondContact O-CB 3.48Å; I172-A176 PolarHBondContact O-N 3.24Å; L173-A176 PolarHBondContact O-N 3.13Å; F174-A176 PolarHBondContact O-N 3.09Å; A176-T178 VanDerWaalsContact C-N 3.31Å; A176-T178 PolarHBondContact O-N 3.33Å; A176-T179 PolarHBondContact O-N 2.85Å; A176-L180 PolarHBondContact O-N 3.32Å |
| 177 | V | 97.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 111 | T160 L173 L180 L181 L219 L281 Q284 L288 | T160-V177 HydrophobicContact CG2-CG2 4Å; L173-V177 WeakPolarHBondContact O-CG2 3.13Å; L173-V177 PolarHBondContact O-N 3.43Å; V177-L180 PolarHBondContact O-N 3.09Å; V177-L181 PolarHBondContact O-N 2.89Å; V177-L181 VanDerWaalsContact O-N 3.09Å; V177-L219 HydrophobicContact CG2-CD2 4.25Å; V177-L281 HydrophobicContact CG2-CD1 4.13Å; V177-Q284 HydrophobicContact CG1-CB 4.03Å; V177-Q284 HydrophobicContact CG1-CG 3.97Å; V177-L288 HydrophobicContact CB-CD2 4.48Å; V177-L288 HydrophobicContact CG1-CB 4.18Å; V177-L288 HydrophobicContact CG1-CD2 3.91Å |
| 178 | T | 95.7 | Very high | 94 | Very high | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.012 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 178.7 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | F174 E175 A176 L181 I182 L654 | F174-T178 WeakPolarHBondContact O-CB 3.45Å; F174-T178 PolarHBondContact O-N 3.24Å; F174-T178 PolarHBondContact O-OG1 3.49Å; E175-T178 PolarHBondContact O-N 3.09Å; A176-T178 VanDerWaalsContact C-N 3.31Å; A176-T178 PolarHBondContact O-N 3.33Å; T178-L181 WeakPolarHBondContact O-CB 3.44Å; T178-L181 PolarHBondContact O-N 2.99Å; T178-I182 WeakPolarHBondContact O-CG1 3.27Å; T178-I182 PolarHBondContact O-N 3.02Å; T178-L654 HydrophobicContact CG2-CD1 4.21Å; T178-L654 HydrophobicContact CG2-CD2 3.75Å; T178-L654 HydrophobicContact CG2-CG 4.12Å |
| 179 | T | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | L107 R111 L156 E175 A176 L181 I182 F183 | L107-T179 HydrophobicContact CD1-CG2 4.03Å; R111-T179 HydrophobicContact CB-CG2 4.31Å; L156-T179 HydrophobicContact CD1-CG2 3.8Å; L156-T179 HydrophobicContact CD2-CG2 4.45Å; E175-T179 WeakPolarHBondContact O-CB 3.27Å; E175-T179 PolarHBondContact O-N 3.17Å; E175-T179 PolarHBondContact O-OG1 3.11Å; A176-T179 PolarHBondContact O-N 2.85Å; T179-L181 VanDerWaalsContact C-N 3.31Å; T179-L181 PolarHBondContact O-N 3.49Å; T179-I182 WeakPolarHBondContact O-CB 3.39Å; T179-I182 PolarHBondContact O-N 2.95Å; T179-I182 VanDerWaalsContact O-N 3.17Å; T179-F183 HydrophobicContact CG2-CD2 4.11Å; T179-F183 HydrophobicContact CG2-CE2 3.77Å; T179-F183 VanDerWaalsContact O-CD2 3.27Å; T179-F183 WeakPolarHBondContact O-CD2 3.37Å; T179-F183 PolarHBondContact O-N 3.45Å; T179-F183 VanDerWaalsContact O-N 3.09Å |
| 180 | L | 97.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.016 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56.4 | -46.9 | 171.5 | -76.2 | 170.2 | 0 | 0 | 0 | 111.1 | L153 L156 V157 A176 V177 I182 F183 F184 I203 L288 | L153-L180 HydrophobicContact CD2-CD2 4.4Å; L156-L180 HydrophobicContact CB-CD1 4.17Å; L156-L180 HydrophobicContact CB-CD2 3.81Å; L156-L180 HydrophobicContact CB-CG 3.82Å; L156-L180 HydrophobicContact CD1-CD2 4.02Å; L156-L180 HydrophobicContact CD1-CG 4.17Å; V157-L180 HydrophobicContact CG2-CD1 4.46Å; V157-L180 HydrophobicContact CG2-CD2 4.39Å; A176-L180 PolarHBondContact O-N 3.32Å; V177-L180 PolarHBondContact O-N 3.09Å; L180-I182 VanDerWaalsContact C-N 3.28Å; L180-I182 PolarHBondContact O-N 3.08Å; L180-F183 PolarHBondContact O-N 3.49Å; L180-F183 VanDerWaalsContact O-N 3.13Å; L180-F184 WeakPolarHBondContact O-CD2 3.47Å; L180-F184 PolarHBondContact O-N 3.26Å; L180-I203 HydrophobicContact CD2-CD1 4.29Å; L180-L288 HydrophobicContact CB-CD1 4.07Å; L180-L288 HydrophobicContact CB-CD2 3.85Å; L180-L288 HydrophobicContact CD1-CD2 3.97Å |
| 181 | L | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 177.7 | -167.6 | 68 | 0 | 0 | 0 | 112.5 | V177 T178 T179 F184 S185 L287 L288 V291 W644 V647 L654 | V177-L181 PolarHBondContact O-N 2.89Å; V177-L181 VanDerWaalsContact O-N 3.09Å; T178-L181 WeakPolarHBondContact O-CB 3.44Å; T178-L181 PolarHBondContact O-N 2.99Å; T179-L181 VanDerWaalsContact C-N 3.31Å; T179-L181 PolarHBondContact O-N 3.49Å; L181-F184 PolarHBondContact O-N 2.83Å; L181-S185 PolarHBondContact O-N 3.41Å; L181-L287 HydrophobicContact CD2-CB 4.41Å; L181-L288 HydrophobicContact CB-CD1 4.43Å; L181-L288 HydrophobicContact CD1-CB 4.41Å; L181-L288 HydrophobicContact CD1-CD1 4.24Å; L181-V291 HydrophobicContact CD1-CB 4.3Å; L181-V291 HydrophobicContact CD1-CG2 3.76Å; L181-W644 HydrophobicContact CD1-CH2 4.44Å; L181-V647 HydrophobicContact CD1-CG1 4.46Å; L181-V647 HydrophobicContact CD1-CG2 4.1Å; L181-V647 HydrophobicContact CD2-CG1 3.7Å; L181-V647 HydrophobicContact CD2-CG2 4.32Å; L181-V647 HydrophobicContact CG-CG1 4.15Å; L181-L654 HydrophobicContact CD2-CD1 4.11Å |
| 182 | I | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.3 | -69.1 | -54.8 | 0 | 0 | 0 | 111.3 | R111 V114 K115 I118 T178 T179 L180 F184 S185 L654 W656 | R111-I182 HydrophobicContact CG-CB 4.49Å; R111-I182 HydrophobicContact CG-CG1 3.82Å; V114-I182 HydrophobicContact CG1-CG2 4.03Å; K115-I182 HydrophobicContact CB-CD1 4.37Å; K115-I182 HydrophobicContact CB-CG2 3.87Å; K115-I182 HydrophobicContact CD-CD1 3.82Å; K115-I182 HydrophobicContact CG-CD1 4.15Å; I118-I182 HydrophobicContact CD1-CG2 3.93Å; I118-I182 WeakPolarHBondContact CD1-O 3.49Å; T178-I182 WeakPolarHBondContact O-CG1 3.27Å; T178-I182 PolarHBondContact O-N 3.02Å; T179-I182 WeakPolarHBondContact O-CB 3.39Å; T179-I182 PolarHBondContact O-N 2.95Å; T179-I182 VanDerWaalsContact O-N 3.17Å; L180-I182 VanDerWaalsContact C-N 3.28Å; L180-I182 PolarHBondContact O-N 3.08Å; I182-F184 VanDerWaalsContact C-N 3.25Å; I182-F184 PolarHBondContact O-N 3.43Å; I182-S185 VanDerWaalsContact O-CB 3.24Å; I182-S185 WeakPolarHBondContact O-CB 3.44Å; I182-S185 PolarHBondContact O-N 2.95Å; I182-S185 PolarHBondContact O-OG 3.48Å; I182-L654 HydrophobicContact CD1-CD1 4.19Å; I182-L654 HydrophobicContact CD1-CD2 3.77Å; I182-L654 HydrophobicContact CG1-CD2 4.4Å; I182-W656 HydrophobicContact CD1-CH2 3.4Å; I182-W656 HydrophobicContact CD1-CZ2 3.66Å; I182-W656 HydrophobicContact CD1-CZ3 4.42Å |
| 183 | F | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.1 | -37.7 | 177.9 | -81.7 | -69.4 | 0 | 0 | 0 | 112.7 | V114 F130 L149 L152 L153 L156 T179 L180 S185 I199 | V114-F183 HydrophobicContact CG1-CD1 3.95Å; V114-F183 HydrophobicContact CG1-CE1 3.63Å; V114-F183 HydrophobicContact CG1-CZ 3.96Å; V114-F183 HydrophobicContact CG2-CE1 4.32Å; V114-F183 HydrophobicContact CG2-CZ 4.08Å; F130-F183 HydrophobicContact CZ-CZ 4.46Å; L149-F183 HydrophobicContact CD1-CD1 4.45Å; L149-F183 HydrophobicContact CD1-CE1 3.73Å; L149-F183 HydrophobicContact CD1-CZ 4.16Å; L152-F183 HydrophobicContact CD2-CE2 4.16Å; L152-F183 HydrophobicContact CD2-CZ 3.76Å; L153-F183 HydrophobicContact CD2-CB 4.22Å; L153-F183 HydrophobicContact CD2-CD1 4.25Å; L153-F183 HydrophobicContact CD2-CD2 3.6Å; L153-F183 HydrophobicContact CD2-CE2 3.92Å; L153-F183 HydrophobicContact CD2-CG 3.78Å; L153-F183 HydrophobicContact CD2-CZ 4.39Å; L156-F183 HydrophobicContact CD1-CD2 4.19Å; L156-F183 HydrophobicContact CD1-CE2 3.89Å; T179-F183 HydrophobicContact CG2-CD2 4.11Å; T179-F183 HydrophobicContact CG2-CE2 3.77Å; T179-F183 VanDerWaalsContact O-CD2 3.27Å; T179-F183 WeakPolarHBondContact O-CD2 3.37Å; T179-F183 PolarHBondContact O-N 3.45Å; T179-F183 VanDerWaalsContact O-N 3.09Å; L180-F183 PolarHBondContact O-N 3.49Å; L180-F183 VanDerWaalsContact O-N 3.13Å; F183-S185 PolarHBondContact O-N 2.97Å; F183-I199 HydrophobicContact CB-CD1 4.24Å; F183-I199 HydrophobicContact CB-CG2 3.95Å; F183-I199 HydrophobicContact CD1-CD1 3.91Å; F183-I199 VanDerWaalsContact O-CD1 3.25Å; F183-I199 WeakPolarHBondContact O-CD1 3.27Å |
| 184 | F | 95.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -73.5 | -12.1 | 177 | -70 | -74.6 | 0 | 0 | 0 | 114.3 | L180 L181 I182 Y186 Q187 I199 Y200 I203 L288 V291 L292 L295 W644 | L180-F184 WeakPolarHBondContact O-CD2 3.47Å; L180-F184 PolarHBondContact O-N 3.26Å; L181-F184 PolarHBondContact O-N 2.83Å; I182-F184 VanDerWaalsContact C-N 3.25Å; I182-F184 PolarHBondContact O-N 3.43Å; F184-Y186 PolarHBondContact O-N 2.69Å; F184-Y186 VanDerWaalsContact O-N 3.09Å; F184-Q187 PolarHBondContact O-N 3.48Å; F184-I199 HydrophobicContact CE1-CG2 4.33Å; F184-Y200 AromaticContact CD1-CD1 3.62Å; F184-Y200 HydrophobicContact CD1-CD1 3.62Å; F184-Y200 AromaticContact CD1-CE1 3.48Å; F184-Y200 HydrophobicContact CD1-CE1 3.48Å; F184-Y200 VanDerWaalsContact CD1-CE1 3.48Å; F184-Y200 AromaticContact CE1-CD1 3.67Å; F184-Y200 HydrophobicContact CE1-CD1 3.67Å; F184-Y200 HydrophobicContact CE1-CE1 4.04Å; F184-I203 HydrophobicContact CZ-CB 4.05Å; F184-I203 HydrophobicContact CZ-CG1 3.87Å; F184-I203 HydrophobicContact CZ-CG2 3.96Å; F184-L288 HydrophobicContact CD2-CD1 4.15Å; F184-L288 HydrophobicContact CE2-CD1 4.35Å; F184-V291 HydrophobicContact CB-CG1 3.76Å; F184-V291 HydrophobicContact CD1-CG1 4.44Å; F184-V291 HydrophobicContact CD2-CG1 4.47Å; F184-V291 HydrophobicContact CG-CG1 3.98Å; F184-L292 HydrophobicContact CD2-CD2 4.45Å; F184-L292 HydrophobicContact CE1-CD2 4.23Å; F184-L292 HydrophobicContact CE2-CD2 3.64Å; F184-L292 HydrophobicContact CZ-CD2 3.51Å; F184-L295 HydrophobicContact CD1-CD1 4.45Å; F184-L295 HydrophobicContact CD1-CD2 3.99Å; F184-L295 HydrophobicContact CE1-CD1 3.79Å; F184-L295 HydrophobicContact CE1-CD2 4.14Å; F184-L295 HydrophobicContact CZ-CD1 4.39Å; F184-W644 VanDerWaalsContact C-CH2 3.42Å; F184-W644 VanDerWaalsContact C-CZ2 3.42Å; F184-W644 HydrophobicContact CB-CH2 3.96Å; F184-W644 HydrophobicContact CB-CZ2 3.8Å; F184-W644 WeakPolarHBondContact O-CH2 3.49Å; F184-W644 WeakPolarHBondContact O-CZ2 3.45Å |
| 185 | S | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -70.3 | -4.3 | -172.3 | 73.4 | 0 | 0 | 0 | 0 | 115.9 | L181 I182 F183 Q187 L188 F189 W656 | L181-S185 PolarHBondContact O-N 3.41Å; I182-S185 VanDerWaalsContact O-CB 3.24Å; I182-S185 WeakPolarHBondContact O-CB 3.44Å; I182-S185 PolarHBondContact O-N 2.95Å; I182-S185 PolarHBondContact O-OG 3.48Å; F183-S185 PolarHBondContact O-N 2.97Å; S185-Q187 PolarHBondContact O-N 3.48Å; S185-Q187 VanDerWaalsContact O-N 3.1Å; S185-L188 VanDerWaalsContact O-CB 3.32Å; S185-L188 WeakPolarHBondContact O-CB 3.23Å; S185-L188 PolarHBondContact O-N 3.36Å; S185-F189 WeakPolarHBondContact O-CD2 3.39Å; S185-W656 WeakPolarHBondContact OG-CH2 3.49Å |
| 186 | Y | 93.3 | Very high | 93 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -49.7 | -34.5 | 168.3 | -90.2 | -73.7 | 0 | 0 | 0 | 112.8 | I118 M121 S122 E123 L126 F184 L188 F189 H190 I199 | I118-Y186 HydrophobicContact CB-CD2 4.44Å; I118-Y186 HydrophobicContact CB-CE1 4.34Å; I118-Y186 HydrophobicContact CB-CE2 4.08Å; I118-Y186 HydrophobicContact CD1-CD2 4.13Å; I118-Y186 HydrophobicContact CD1-CE2 3.97Å; I118-Y186 HydrophobicContact CG1-CD2 4.02Å; I118-Y186 HydrophobicContact CG1-CE2 3.47Å; I118-Y186 VanDerWaalsContact CG1-CE2 3.47Å; I118-Y186 HydrophobicContact CG2-CD1 3.82Å; I118-Y186 HydrophobicContact CG2-CD2 3.79Å; I118-Y186 HydrophobicContact CG2-CE1 3.91Å; I118-Y186 HydrophobicContact CG2-CE2 3.91Å; I118-Y186 HydrophobicContact CG2-CG 3.77Å; I118-Y186 WeakPolarHBondContact O-CE1 3.39Å; M121-Y186 WeakPolarHBondContact O-CE1 3.48Å; M121-Y186 PolarHBondContact O-OH 3.04Å; S122-Y186 PolarHBondContact O-OH 3.49Å; E123-Y186 HydrophobicContact CG-CD1 4.05Å; E123-Y186 HydrophobicContact CG-CD2 3.89Å; E123-Y186 HydrophobicContact CG-CE1 3.93Å; E123-Y186 HydrophobicContact CG-CE2 3.72Å; E123-Y186 HydrophobicContact CG-CG 4.02Å; L126-Y186 WeakPolarHBondContact CB-OH 3.32Å; L126-Y186 HydrophobicContact CD2-CE2 3.79Å; L126-Y186 WeakPolarHBondContact CD2-OH 3.44Å; F184-Y186 PolarHBondContact O-N 2.69Å; F184-Y186 VanDerWaalsContact O-N 3.09Å; Y186-L188 PolarHBondContact O-N 3.25Å; Y186-F189 PolarHBondContact O-N 3.11Å; Y186-F189 VanDerWaalsContact O-N 3.11Å; Y186-H190 PolarHBondContact O-ND1 3.07Å; Y186-I199 HydrophobicContact CD2-CD1 3.57Å; Y186-I199 HydrophobicContact CE2-CD1 3.56Å |
| 187 | Q | 93.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -60.1 | -27.8 | 178.4 | -174.3 | 57.8 | 80 | 0 | 0 | 113.3 | F184 S185 F189 H190 D192 L194 I640 W644 L663 | F184-Q187 PolarHBondContact O-N 3.48Å; S185-Q187 PolarHBondContact O-N 3.48Å; S185-Q187 VanDerWaalsContact O-N 3.1Å; Q187-F189 PolarHBondContact O-N 3.28Å; Q187-H190 PolarHBondContact NE2-O 2.82Å; Q187-H190 PolarHBondContact O-N 3.16Å; Q187-H190 VanDerWaalsContact O-O 3.12Å; Q187-D192 PolarHBondContact NE2-O 3.41Å; Q187-L194 HydrophobicContact CB-CD1 4.34Å; Q187-I640 HydrophobicContact CG-CG2 3.58Å; Q187-W644 HydrophobicContact CB-CZ2 4.45Å; Q187-L663 HydrophobicContact CG-CD1 4.19Å; Q187-L663 HydrophobicContact CG-CD2 3.9Å |
| 188 | L | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -63.4 | -31.7 | 177.5 | -71.6 | 173.9 | 0 | 0 | 0 | 112.6 | S185 Y186 H190 W644 W656 I661 E662 L663 F664 | S185-L188 VanDerWaalsContact O-CB 3.32Å; S185-L188 WeakPolarHBondContact O-CB 3.23Å; S185-L188 PolarHBondContact O-N 3.36Å; Y186-L188 PolarHBondContact O-N 3.25Å; L188-H190 VanDerWaalsContact C-N 3.35Å; L188-W644 HydrophobicContact CD1-CE3 3.84Å; L188-W644 HydrophobicContact CD1-CZ3 4.06Å; L188-W644 HydrophobicContact CD2-CB 3.72Å; L188-W644 HydrophobicContact CD2-CD2 4Å; L188-W644 HydrophobicContact CD2-CE3 3.74Å; L188-W644 HydrophobicContact CD2-CG 4.02Å; L188-W644 HydrophobicContact CG-CD2 4.02Å; L188-W644 HydrophobicContact CG-CE3 3.59Å; L188-W644 HydrophobicContact CG-CG 4.48Å; L188-W644 HydrophobicContact CG-CZ3 4.15Å; L188-W656 HydrophobicContact CD1-CD2 3.88Å; L188-W656 HydrophobicContact CD1-CE3 3.78Å; L188-W656 HydrophobicContact CD1-CH2 4.13Å; L188-W656 HydrophobicContact CD1-CZ2 4.2Å; L188-W656 HydrophobicContact CD1-CZ3 3.92Å; L188-I661 WeakPolarHBondContact O-CA 3.15Å; L188-E662 PolarHBondContact O-N 3.06Å; L188-L663 HydrophobicContact CD2-CD2 4.45Å; L188-L663 PolarHBondContact O-N 3.4Å; L188-F664 HydrophobicContact CD2-CE1 3.88Å; L188-F664 HydrophobicContact CD2-CZ 4.21Å |
| 189 | F | 92.6 | Very high | 91.7 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -95.7 | 8.9 | -173.8 | -52.8 | -71.4 | 0 | 0 | 0 | 112.7 | I118 R119 S185 Y186 Q187 W656 G660 | I118-F189 HydrophobicContact CG2-CD2 4.07Å; I118-F189 HydrophobicContact CG2-CE2 3.89Å; R119-F189 HydrophobicContact CB-CE1 4.41Å; R119-F189 HydrophobicContact CB-CZ 4.16Å; R119-F189 HydrophobicContact CG-CD1 4.45Å; R119-F189 HydrophobicContact CG-CE1 3.92Å; R119-F189 HydrophobicContact CG-CZ 4.16Å; S185-F189 WeakPolarHBondContact O-CD2 3.39Å; Y186-F189 PolarHBondContact O-N 3.11Å; Y186-F189 VanDerWaalsContact O-N 3.11Å; Q187-F189 PolarHBondContact O-N 3.28Å; F189-W656 HydrophobicContact CZ-CZ3 4.38Å; F189-G660 WeakPolarHBondContact CD1-O 3.29Å |
| 190 | H | 91.1 | Very high | 91.3 | Very high | 76 Ų | 76 | 35.8 Ų | 35.8 | 35% | 0.352 | 17% | 0.17 | S | C | . | . | trans | -125.8 | 130.1 | 176.3 | -64.2 | 96.3 | 0 | 0 | 0 | 109.7 | Y186 Q187 L188 L194 | Y186-H190 PolarHBondContact O-ND1 3.07Å; Q187-H190 PolarHBondContact NE2-O 2.82Å; Q187-H190 PolarHBondContact O-N 3.16Å; Q187-H190 VanDerWaalsContact O-O 3.12Å; L188-H190 VanDerWaalsContact C-N 3.35Å; H190-L194 HydrophobicContact CB-CD2 4.24Å; H190-L194 HydrophobicContact CB-CG 4.42Å | ||
| 191 | K | 90.4 | Very high | 90.8 | Very high | 156 Ų | 156 | 38.4 Ų | 38.4 | 68% | 0.678 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -66.5 | -39.8 | 172.9 | -173.9 | -179.3 | 176.7 | -174.1 | 0 | 112.2 | E662 | K191-E662 HydrophobicContact CB-CB 4.24Š|
| 192 | D | 91.4 | Very high | 90.5 | Very high | 128 Ų | 128 | 39.8 Ų | 39.8 | 68% | 0.684 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -86.3 | 151.7 | 179.9 | -60.7 | -40.5 | 0 | 0 | 0 | 111 | Q187 L194 | Q187-D192 PolarHBondContact NE2-O 3.41Å; D192-L194 PolarHBondContact O-N 3.43Å |
| 193 | I | 91.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 40 Ų | 40 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 125.4 | 178.8 | -64.6 | 173.2 | 0 | 0 | 0 | 110.1 | R195 T296 E636 D637 I640 | I193-R195 PolarHBondContact O-N 2.92Å; I193-T296 HydrophobicContact CG2-CG2 3.45Å; I193-T296 VanDerWaalsContact CG2-CG2 3.45Å; I193-E636 HydrophobicContact CD1-CB 3.8Å; I193-E636 HydrophobicContact CD1-CG 3.41Å; I193-E636 VanDerWaalsContact CD1-CG 3.41Å; I193-D637 WeakPolarHBondContact CD1-OD1 3.38Å; I193-I640 HydrophobicContact CD1-CD1 4.21Å; I193-I640 HydrophobicContact CG1-CD1 4.31Å; I193-I640 HydrophobicContact CG2-CD1 3.48Å; I193-I640 VanDerWaalsContact CG2-CD1 3.48Å |
| 194 | L | 89 | Confident | 89.9 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 116.7 | 176.1 | -61.8 | 176.9 | 0 | 0 | 0 | 109.5 | Q187 H190 D192 Y200 T296 | Q187-L194 HydrophobicContact CB-CD1 4.34Å; H190-L194 HydrophobicContact CB-CD2 4.24Å; H190-L194 HydrophobicContact CB-CG 4.42Å; D192-L194 PolarHBondContact O-N 3.43Å; L194-Y200 HydrophobicContact CB-CE2 3.75Å; L194-Y200 WeakPolarHBondContact O-CE2 3.5Å; L194-T296 PolarHBondContact O-OG1 2.71Å |
| 195 | R | 83.6 | Confident | 89.4 | Confident | 128 Ų | 128 | 43.3 Ų | 43.3 | 48% | 0.483 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -102.8 | -20.9 | -179.3 | -64.7 | -174.7 | -176.6 | -104.3 | -3.9 | 114.5 | I193 T296 E636 | I193-R195 PolarHBondContact O-N 2.92Å; R195-T296 WeakPolarHBondContact CA-OG1 3.35Å; R195-T296 HydrophobicContact CG-CG2 4.24Å; R195-E636 IonicContact CZ-OE1 2.72Å; R195-E636 IonicContact NH1-OE1 3.66Å; R195-E636 PolarHBondContact NH1-OE1 3.35Å; R195-E636 IonicContact NH2-OE1 3.37Å; R195-E636 PolarHBondContact NH2-OE1 3.47Å |
| 196 | D | 78.1 | Confident | 88.8 | Confident | 99 Ų | 99 | 45.9 Ų | 45.9 | 53% | 0.529 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -144.1 | 39.4 | -173.1 | -156 | 31.6 | 0 | 0 | 0 | 113 | Q201 | D196-Q201 PolarHBondContact OD1-NE2 3.04Å; D196-Q201 PolarHBondContact OD2-NE2 3.5Å |
| 197 | G | 84.6 | Confident | 88.5 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | trans | -63.9 | 143.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E123 I199 Y200 Q201 | E123-G197 WeakPolarHBondContact OE1-CA 3.41Å; G197-I199 VanDerWaalsContact C-N 3.3Å; G197-I199 PolarHBondContact O-N 3.29Å; G197-Y200 WeakPolarHBondContact O-CB 3.39Å; G197-Y200 PolarHBondContact O-N 3.43Å; G197-Y200 VanDerWaalsContact O-N 3.07Å; G197-Q201 WeakPolarHBondContact O-CG 3.44Å; G197-Q201 PolarHBondContact O-N 3.34Å | ||
| 198 | L | 88.3 | Confident | 88.4 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 179.3 | -66.9 | 174.8 | 0 | 0 | 0 | 110.8 | E123 E124 L127 Y200 Q201 H202 | E123-L198 HydrophobicContact CB-CB 4.46Å; E123-L198 HydrophobicContact CB-CD1 4.04Å; E123-L198 HydrophobicContact CB-CG 4.41Å; E123-L198 WeakPolarHBondContact OE2-CA 3.49Å; E123-L198 WeakPolarHBondContact OE2-CB 3.29Å; E123-L198 PolarHBondContact OE2-N 2.96Å; E124-L198 HydrophobicContact CG-CD1 4.34Å; L127-L198 HydrophobicContact CD2-CD1 4.46Å; L198-Y200 PolarHBondContact O-N 3.1Å; L198-Q201 PolarHBondContact O-N 2.89Å; L198-H202 PolarHBondContact O-N 3.31Å; L198-H202 VanDerWaalsContact O-N 3.1Å; L198-H202 PolarHBondContact O-ND1 2.88Å |
| 199 | I | 89.4 | Confident | 88.2 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 179 | -67.7 | 169.6 | 0 | 0 | 0 | 111.1 | E123 L126 L153 F183 F184 Y186 G197 H202 I203 | E123-I199 PolarHBondContact OE2-N 2.88Å; E123-I199 VanDerWaalsContact OE2-N 3.07Å; L126-I199 HydrophobicContact CD2-CD1 4.31Å; L153-I199 HydrophobicContact CD1-CG2 4.48Å; F183-I199 HydrophobicContact CB-CD1 4.24Å; F183-I199 HydrophobicContact CB-CG2 3.95Å; F183-I199 HydrophobicContact CD1-CD1 3.91Å; F183-I199 VanDerWaalsContact O-CD1 3.25Å; F183-I199 WeakPolarHBondContact O-CD1 3.27Å; F184-I199 HydrophobicContact CE1-CG2 4.33Å; Y186-I199 HydrophobicContact CD2-CD1 3.57Å; Y186-I199 HydrophobicContact CE2-CD1 3.56Å; G197-I199 VanDerWaalsContact C-N 3.3Å; G197-I199 PolarHBondContact O-N 3.29Å; I199-H202 PolarHBondContact O-N 3.48Å; I199-I203 PolarHBondContact O-N 3.44Å |
| 200 | Y | 88.4 | Confident | 88.1 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | -178.6 | -59 | 0.4 | 0 | 0 | 0 | 109.6 | F184 L194 G197 L198 H202 I203 M204 L295 | F184-Y200 AromaticContact CD1-CD1 3.62Å; F184-Y200 HydrophobicContact CD1-CD1 3.62Å; F184-Y200 AromaticContact CD1-CE1 3.48Å; F184-Y200 HydrophobicContact CD1-CE1 3.48Å; F184-Y200 VanDerWaalsContact CD1-CE1 3.48Å; F184-Y200 AromaticContact CE1-CD1 3.67Å; F184-Y200 HydrophobicContact CE1-CD1 3.67Å; F184-Y200 HydrophobicContact CE1-CE1 4.04Å; L194-Y200 HydrophobicContact CB-CE2 3.75Å; L194-Y200 WeakPolarHBondContact O-CE2 3.5Å; G197-Y200 WeakPolarHBondContact O-CB 3.39Å; G197-Y200 PolarHBondContact O-N 3.43Å; G197-Y200 VanDerWaalsContact O-N 3.07Å; L198-Y200 PolarHBondContact O-N 3.1Å; Y200-H202 PolarHBondContact O-N 2.96Å; Y200-I203 PolarHBondContact O-N 2.98Å; Y200-M204 VanDerWaalsContact O-CB 3.26Å; Y200-M204 WeakPolarHBondContact O-CB 3.33Å; Y200-M204 VanDerWaalsContact O-CG 3.3Å; Y200-M204 WeakPolarHBondContact O-CG 3.46Å; Y200-M204 PolarHBondContact O-N 3.09Å; Y200-L295 HydrophobicContact CD1-CD2 4.34Å; Y200-L295 HydrophobicContact CD2-CD2 4.23Å; Y200-L295 HydrophobicContact CE1-CD2 4.25Å; Y200-L295 HydrophobicContact CE2-CD2 4.06Å; Y200-L295 HydrophobicContact CG-CD2 4.36Å |
| 201 | Q | 88 | Confident | 88.3 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 27% | 0.271 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 175.6 | -66.4 | -174.2 | -3.2 | 0 | 0 | 112.4 | D196 G197 L198 I203 K205 | D196-Q201 PolarHBondContact OD1-NE2 3.04Å; D196-Q201 PolarHBondContact OD2-NE2 3.5Å; G197-Q201 WeakPolarHBondContact O-CG 3.44Å; G197-Q201 PolarHBondContact O-N 3.34Å; L198-Q201 PolarHBondContact O-N 2.89Å; Q201-I203 VanDerWaalsContact C-N 3.31Å; Q201-I203 PolarHBondContact O-N 2.66Å; Q201-K205 HydrophobicContact CB-CD 4.43Å; Q201-K205 WeakPolarHBondContact O-CB 3.32Å; Q201-K205 PolarHBondContact O-N 3.07Å |
| 202 | H | 89.1 | Confident | 88.6 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -32.1 | 179.4 | -71.9 | 98 | 0 | 0 | 0 | 113.6 | D147 L153 L198 I199 Y200 C208 | D147-H202 IonicContact OD2-NE2 3.72Å; D147-H202 PolarHBondContact OD2-NE2 3.07Å; L153-H202 HydrophobicContact CD1-CB 3.69Å; L198-H202 PolarHBondContact O-N 3.31Å; L198-H202 VanDerWaalsContact O-N 3.1Å; L198-H202 PolarHBondContact O-ND1 2.88Å; I199-H202 PolarHBondContact O-N 3.48Å; Y200-H202 PolarHBondContact O-N 2.96Å; H202-C208 PolarHBondContact O-SG 2.7Å; H202-C208 VanDerWaalsContact O-SG 3.42Å |
| 203 | I | 90.6 | Very high | 88.8 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -88.1 | -36.8 | -179.5 | -67.5 | -71.5 | 0 | 0 | 0 | 112.1 | L153 V157 L180 F184 I199 Y200 Q201 C208 L292 F305 | L153-I203 HydrophobicContact CB-CD1 3.94Å; L153-I203 HydrophobicContact CD1-CG1 4.37Å; L153-I203 HydrophobicContact CD2-CD1 4.38Å; V157-I203 HydrophobicContact CG2-CD1 4Å; L180-I203 HydrophobicContact CD2-CD1 4.29Å; F184-I203 HydrophobicContact CZ-CB 4.05Å; F184-I203 HydrophobicContact CZ-CG1 3.87Å; F184-I203 HydrophobicContact CZ-CG2 3.96Å; I199-I203 PolarHBondContact O-N 3.44Å; Y200-I203 PolarHBondContact O-N 2.98Å; Q201-I203 VanDerWaalsContact C-N 3.31Å; Q201-I203 PolarHBondContact O-N 2.66Å; I203-C208 VanDerWaalsContact O-CB 3.28Å; I203-C208 WeakPolarHBondContact O-CB 3.3Å; I203-L292 HydrophobicContact CG2-CD2 4.32Å; I203-F305 HydrophobicContact CG2-CE2 3.71Å; I203-F305 HydrophobicContact CG2-CZ 3.44Å; I203-F305 VanDerWaalsContact CG2-CZ 3.44Å |
| 204 | M | 89.9 | Confident | 89 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -87.8 | -10.3 | -176.8 | -63.5 | 174.5 | 75.8 | 0 | 0 | 113.6 | Y200 L295 N303 P304 F305 | Y200-M204 VanDerWaalsContact O-CB 3.26Å; Y200-M204 WeakPolarHBondContact O-CB 3.33Å; Y200-M204 VanDerWaalsContact O-CG 3.3Å; Y200-M204 WeakPolarHBondContact O-CG 3.46Å; Y200-M204 PolarHBondContact O-N 3.09Å; M204-L295 HydrophobicContact CE-CB 4.43Å; M204-L295 HydrophobicContact CG-CD1 4.17Å; M204-L295 HydrophobicContact SD-CB 4.13Å; M204-L295 HydrophobicContact SD-CD1 3.83Å; M204-N303 HydrophobicContact CE-CB 3.9Å; M204-P304 HydrophobicContact CB-CG 4.37Å; M204-F305 HydrophobicContact CG-CE2 4.02Å |
| 205 | K | 85.3 | Confident | 89.5 | Confident | 59 Ų | 59 | 48 Ų | 48 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -127.5 | 177.1 | 179.6 | -53.7 | 177 | -178.9 | 172.8 | 0 | 111.1 | Q201 R207 | Q201-K205 HydrophobicContact CB-CD 4.43Å; Q201-K205 WeakPolarHBondContact O-CB 3.32Å; Q201-K205 PolarHBondContact O-N 3.07Å; K205-R207 PolarHBondContact O-N 3.24Å |
| 206 | G | 82.9 | Confident | 90.2 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 55% | 0.546 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | 62 | -135.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C208 L209 | G206-C208 PolarHBondContact O-N 3.1Å; G206-L209 WeakPolarHBondContact O-CB 3.45Å; G206-L209 PolarHBondContact O-N 2.87Å |
| 207 | R | 87.9 | Confident | 91.1 | Very high | 137 Ų | 137 | 40.3 Ų | 40.3 | 52% | 0.517 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -69.9 | -30.1 | -170.7 | -62.2 | 170.2 | 67.9 | -166.1 | -0.3 | 113.2 | L154 K205 L209 | L154-R207 HydrophobicContact CD1-CB 4Å; L154-R207 HydrophobicContact CD2-CB 3.82Å; K205-R207 PolarHBondContact O-N 3.24Å; R207-L209 VanDerWaalsContact C-N 3.3Å; R207-L209 PolarHBondContact O-N 3.02Å |
| 208 | C | 89.9 | Confident | 91.8 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -71.7 | -25.5 | 180 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | H202 I203 G206 E210 L211 T212 | H202-C208 PolarHBondContact O-SG 2.7Å; H202-C208 VanDerWaalsContact O-SG 3.42Å; I203-C208 VanDerWaalsContact O-CB 3.28Å; I203-C208 WeakPolarHBondContact O-CB 3.3Å; G206-C208 PolarHBondContact O-N 3.1Å; C208-E210 VanDerWaalsContact C-N 3.27Å; C208-E210 PolarHBondContact O-N 3.24Å; C208-L211 PolarHBondContact O-N 2.92Å; C208-T212 PolarHBondContact O-N 3.38Å |
| 209 | L | 90.7 | Very high | 92.3 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -60.5 | -34.5 | -177.2 | -176 | 62.4 | 0 | 0 | 0 | 112.8 | G206 R207 L211 T212 P304 H327 | G206-L209 WeakPolarHBondContact O-CB 3.45Å; G206-L209 PolarHBondContact O-N 2.87Å; R207-L209 VanDerWaalsContact C-N 3.3Å; R207-L209 PolarHBondContact O-N 3.02Å; L209-L211 PolarHBondContact O-N 3.37Å; L209-T212 PolarHBondContact O-N 3.47Å; L209-T212 PolarHBondContact O-OG1 3.39Å; L209-T212 VanDerWaalsContact O-OG1 3.13Å; L209-P304 HydrophobicContact CD1-CB 3.71Å; L209-P304 HydrophobicContact CD1-CG 3.92Å; L209-H327 WeakPolarHBondContact CD1-CE1 3.39Å; L209-H327 PolarHBondContact O-CE1 2.81Å |
| 210 | E | 91.4 | Very high | 92.7 | Very high | 170 Ų | 170 | 39.5 Ų | 39.5 | 79% | 0.794 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -68 | -22.9 | 177.4 | -62.1 | -175.1 | 173.3 | 0 | 0 | 112.5 | C208 | C208-E210 VanDerWaalsContact C-N 3.27Å; C208-E210 PolarHBondContact O-N 3.24Å |
| 211 | L | 94.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -94.2 | -7 | -177.9 | -58.8 | 176.9 | 0 | 0 | 0 | 112.9 | L154 V157 V161 C208 L209 S213 R214 L215 | L154-L211 HydrophobicContact CD1-CD1 3.75Å; V157-L211 HydrophobicContact CB-CD1 4.3Å; V157-L211 HydrophobicContact CG1-CB 3.68Å; V157-L211 HydrophobicContact CG1-CD1 3.66Å; V157-L211 HydrophobicContact CG1-CG 4.34Å; V161-L211 HydrophobicContact CG2-CD2 4.34Å; C208-L211 PolarHBondContact O-N 2.92Å; L209-L211 PolarHBondContact O-N 3.37Å; L211-S213 PolarHBondContact O-N 3.21Å; L211-R214 WeakPolarHBondContact O-CB 3.39Å; L211-R214 PolarHBondContact O-N 3.16Å; L211-L215 PolarHBondContact O-N 3Å |
| 212 | T | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52 | -51.6 | -173.3 | -62 | 0 | 0 | 0 | 0 | 113.3 | C208 L209 R214 L215 V216 P304 F305 A308 H327 | C208-T212 PolarHBondContact O-N 3.38Å; L209-T212 PolarHBondContact O-N 3.47Å; L209-T212 PolarHBondContact O-OG1 3.39Å; L209-T212 VanDerWaalsContact O-OG1 3.13Å; T212-R214 VanDerWaalsContact C-N 3.28Å; T212-R214 PolarHBondContact O-N 3.27Å; T212-L215 PolarHBondContact O-N 3.16Å; T212-V216 WeakPolarHBondContact O-CG2 3Å; T212-V216 PolarHBondContact O-N 2.81Å; T212-P304 HydrophobicContact CG2-CB 3.96Å; T212-P304 HydrophobicContact CG2-CG 4.39Å; T212-P304 WeakPolarHBondContact CG2-O 3.28Å; T212-F305 HydrophobicContact CG2-CD1 3.57Å; T212-F305 HydrophobicContact CG2-CE1 3.71Å; T212-F305 HydrophobicContact CG2-CG 4.16Å; T212-F305 HydrophobicContact CG2-CZ 4.43Å; T212-A308 HydrophobicContact CG2-CB 4.34Å; T212-H327 HydrophobicContact CG2-CB 4.47Å |
| 213 | S | 95.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -38.8 | -179.8 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | L211 K217 H327 | L211-S213 PolarHBondContact O-N 3.21Å; S213-K217 WeakPolarHBondContact O-CB 3.32Å; S213-K217 PolarHBondContact O-N 3.41Å; S213-H327 WeakPolarHBondContact CB-O 3.33Å; S213-H327 WeakPolarHBondContact OG-CA 3.25Å; S213-H327 WeakPolarHBondContact OG-CB 3.38Å; S213-H327 PolarHBondContact OG-O 3.46Å |
| 214 | R | 96.8 | Very high | 94.2 | Very high | 96 Ų | 96 | 40.4 Ų | 40.4 | 36% | 0.362 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -70.3 | -40 | 179.8 | -63.5 | 178.6 | 61.1 | -170 | -0.9 | 110.5 | V161 E162 L211 T212 K217 T218 | V161-R214 HydrophobicContact CB-CB 4.09Å; V161-R214 HydrophobicContact CG1-CB 4.07Å; V161-R214 PolarHBondContact O-NH2 3.43Å; E162-R214 IonicContact OE1-CZ 3.12Å; E162-R214 IonicContact OE1-NH1 2.64Å; E162-R214 PolarHBondContact OE1-NH1 3.08Å; E162-R214 IonicContact OE1-NH2 2.86Å; E162-R214 PolarHBondContact OE1-NH2 2.75Å; E162-R214 IonicContact OE2-CZ 3.79Å; E162-R214 IonicContact OE2-NH1 3.89Å; E162-R214 IonicContact OE2-NH2 2.81Å; E162-R214 PolarHBondContact OE2-NH2 3.29Å; L211-R214 WeakPolarHBondContact O-CB 3.39Å; L211-R214 PolarHBondContact O-N 3.16Å; T212-R214 VanDerWaalsContact C-N 3.28Å; T212-R214 PolarHBondContact O-N 3.27Å; R214-K217 PolarHBondContact O-N 2.84Å; R214-T218 WeakPolarHBondContact O-CB 3.38Å; R214-T218 PolarHBondContact O-N 3.23Å; R214-T218 PolarHBondContact O-OG1 2.77Å |
| 215 | L | 98 | Very high | 94.4 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -53.1 | 176.5 | -175.6 | 60.2 | 0 | 0 | 0 | 111 | V157 T160 V161 L211 T212 K217 T218 L219 L292 F305 | V157-L215 HydrophobicContact CG1-CB 4.39Å; V157-L215 HydrophobicContact CG1-CD1 4.46Å; V157-L215 HydrophobicContact CG1-CD2 4.18Å; V157-L215 HydrophobicContact CG2-CD2 4.22Å; T160-L215 HydrophobicContact CG2-CD1 3.71Å; V161-L215 VanDerWaalsContact CG1-CA 3.49Å; V161-L215 HydrophobicContact CG1-CB 3.99Å; V161-L215 HydrophobicContact CG1-CD1 4.07Å; L211-L215 PolarHBondContact O-N 3Å; T212-L215 PolarHBondContact O-N 3.16Å; L215-K217 VanDerWaalsContact C-N 3.3Å; L215-K217 PolarHBondContact O-N 3.21Å; L215-T218 PolarHBondContact O-N 3.02Å; L215-T218 VanDerWaalsContact O-N 3.16Å; L215-L219 HydrophobicContact CD1-CD1 4.22Å; L215-L219 HydrophobicContact CD1-CG 4.19Å; L215-L219 HydrophobicContact CG-CD1 4.09Å; L215-L219 HydrophobicContact CG-CG 4.44Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.38Å; L215-L219 PolarHBondContact O-N 2.94Å; L215-L292 HydrophobicContact CD2-CD1 3.9Å; L215-F305 HydrophobicContact CD2-CE1 3.93Å |
| 216 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 177.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | T212 T218 L219 L220 L289 F305 A308 I309 F329 | T212-V216 WeakPolarHBondContact O-CG2 3Å; T212-V216 PolarHBondContact O-N 2.81Å; V216-T218 PolarHBondContact O-N 3.34Å; V216-L219 PolarHBondContact O-N 3.29Å; V216-L220 HydrophobicContact CG1-CD1 4.1Å; V216-L220 WeakPolarHBondContact O-CB 3.17Å; V216-L220 WeakPolarHBondContact O-CG 3.5Å; V216-L220 PolarHBondContact O-N 3.35Å; V216-L289 HydrophobicContact CB-CD1 4.45Å; V216-L289 HydrophobicContact CG1-CD1 3.96Å; V216-L289 HydrophobicContact CG2-CD1 4.28Å; V216-F305 HydrophobicContact CG2-CB 4.28Å; V216-F305 HydrophobicContact CG2-CD1 3.81Å; V216-A308 HydrophobicContact CB-CB 4.23Å; V216-A308 HydrophobicContact CG1-CB 4.34Å; V216-A308 HydrophobicContact CG2-CB 3.97Å; V216-I309 HydrophobicContact CG1-CG1 3.94Å; V216-F329 HydrophobicContact CB-CE1 4.12Å; V216-F329 HydrophobicContact CB-CZ 4.4Å; V216-F329 HydrophobicContact CG1-CE1 3.79Å; V216-F329 HydrophobicContact CG1-CZ 3.77Å |
| 217 | K | 98.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 29% | 0.287 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 176.9 | -177.3 | 171.9 | 179.8 | 165.4 | 0 | 112 | S213 R214 L215 L220 Y221 F329 Q330 | S213-K217 WeakPolarHBondContact O-CB 3.32Å; S213-K217 PolarHBondContact O-N 3.41Å; R214-K217 PolarHBondContact O-N 2.84Å; L215-K217 VanDerWaalsContact C-N 3.3Å; L215-K217 PolarHBondContact O-N 3.21Å; K217-L220 PolarHBondContact O-N 2.85Å; K217-Y221 HydrophobicContact CD-CE2 4.14Å; K217-Y221 VanDerWaalsContact CE-CE2 3.45Å; K217-Y221 HydrophobicContact CG-CD2 3.79Å; K217-Y221 HydrophobicContact CG-CE2 3.56Å; K217-Y221 WeakPolarHBondContact O-CD2 3.44Å; K217-Y221 PolarHBondContact O-N 2.94Å; K217-F329 HydrophobicContact CB-CD2 3.65Å; K217-F329 HydrophobicContact CB-CE2 3.69Å; K217-F329 HydrophobicContact CB-CG 4.08Å; K217-F329 HydrophobicContact CB-CZ 4.17Å; K217-F329 HydrophobicContact CD-CB 4.24Å; K217-F329 HydrophobicContact CD-CD2 3.7Å; K217-F329 HydrophobicContact CD-CE2 4.43Å; K217-F329 HydrophobicContact CD-CG 4.2Å; K217-F329 HydrophobicContact CG-CD2 3.72Å; K217-F329 HydrophobicContact CG-CE2 3.95Å; K217-F329 HydrophobicContact CG-CG 4.47Å; K217-Q330 VanDerWaalsContact CE-O 3.25Å; K217-Q330 WeakPolarHBondContact CE-O 3.4Å; K217-Q330 PolarHBondContact NZ-O 3.29Å |
| 218 | T | 98.3 | Very high | 94.9 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 20% | 0.202 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | -179.6 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | T160 R214 L215 V216 L220 Y221 N222 | T160-T218 HydrophobicContact CG2-CG2 4.41Å; T160-T218 WeakPolarHBondContact O-CG2 3.43Å; R214-T218 WeakPolarHBondContact O-CB 3.38Å; R214-T218 PolarHBondContact O-N 3.23Å; R214-T218 PolarHBondContact O-OG1 2.77Å; L215-T218 PolarHBondContact O-N 3.02Å; L215-T218 VanDerWaalsContact O-N 3.16Å; V216-T218 PolarHBondContact O-N 3.34Å; T218-L220 VanDerWaalsContact C-N 3.33Å; T218-L220 PolarHBondContact O-N 3.19Å; T218-Y221 PolarHBondContact O-N 3.1Å; T218-Y221 VanDerWaalsContact O-N 3.1Å; T218-N222 PolarHBondContact O-N 3.06Å |
| 219 | L | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.3 | -63.6 | 175.4 | 0 | 0 | 0 | 111.7 | T160 V177 L215 V216 N222 F223 L288 L289 L292 | T160-L219 HydrophobicContact CG2-CD2 4.31Å; V177-L219 HydrophobicContact CG2-CD2 4.25Å; L215-L219 HydrophobicContact CD1-CD1 4.22Å; L215-L219 HydrophobicContact CD1-CG 4.19Å; L215-L219 HydrophobicContact CG-CD1 4.09Å; L215-L219 HydrophobicContact CG-CG 4.44Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.38Å; L215-L219 PolarHBondContact O-N 2.94Å; V216-L219 PolarHBondContact O-N 3.29Å; L219-N222 PolarHBondContact O-N 3.13Å; L219-F223 PolarHBondContact O-N 3.2Å; L219-F223 VanDerWaalsContact O-N 3.09Å; L219-L288 HydrophobicContact CD1-CD2 4.21Å; L219-L288 HydrophobicContact CD1-CG 4.19Å; L219-L288 HydrophobicContact CD2-CD2 4.11Å; L219-L289 HydrophobicContact CB-CB 4.2Å; L219-L289 HydrophobicContact CD1-CB 4.08Å; L219-L289 HydrophobicContact CD1-CD1 4.45Å; L219-L292 HydrophobicContact CD1-CD1 4.01Å |
| 220 | L | 98.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 172.1 | -74.2 | 171.8 | 0 | 0 | 0 | 112.2 | V216 K217 T218 F223 I224 L289 F312 F329 I331 L336 L352 | V216-L220 HydrophobicContact CG1-CD1 4.1Å; V216-L220 WeakPolarHBondContact O-CB 3.17Å; V216-L220 WeakPolarHBondContact O-CG 3.5Å; V216-L220 PolarHBondContact O-N 3.35Å; K217-L220 PolarHBondContact O-N 2.85Å; T218-L220 VanDerWaalsContact C-N 3.33Å; T218-L220 PolarHBondContact O-N 3.19Å; L220-F223 WeakPolarHBondContact O-CB 3.48Å; L220-F223 PolarHBondContact O-N 3.42Å; L220-I224 VanDerWaalsContact O-CG1 3.23Å; L220-I224 WeakPolarHBondContact O-CG1 3.49Å; L220-I224 PolarHBondContact O-N 3.44Å; L220-L289 HydrophobicContact CD2-CD2 3.5Å; L220-L289 VanDerWaalsContact CD2-CD2 3.5Å; L220-L289 HydrophobicContact CG-CD2 3.83Å; L220-F312 HydrophobicContact CD1-CD1 4.47Å; L220-F312 HydrophobicContact CD1-CE1 4.17Å; L220-F329 HydrophobicContact CD1-CE2 4.33Å; L220-F329 HydrophobicContact CD1-CZ 3.95Å; L220-I331 HydrophobicContact CB-CD1 3.69Å; L220-I331 HydrophobicContact CD1-CD1 4.07Å; L220-L336 HydrophobicContact CD2-CD1 4.29Å; L220-L352 HydrophobicContact CD2-CD1 4.36Å; L220-L352 HydrophobicContact CD2-CD2 4.29Å |
| 221 | Y | 97.8 | Very high | 93 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 30% | 0.302 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.8 | -37.8 | 174.8 | -86.9 | -62 | 0 | 0 | 0 | 113 | K217 T218 F223 I224 R225 I331 | K217-Y221 HydrophobicContact CD-CE2 4.14Å; K217-Y221 VanDerWaalsContact CE-CE2 3.45Å; K217-Y221 HydrophobicContact CG-CD2 3.79Å; K217-Y221 HydrophobicContact CG-CE2 3.56Å; K217-Y221 WeakPolarHBondContact O-CD2 3.44Å; K217-Y221 PolarHBondContact O-N 2.94Å; T218-Y221 PolarHBondContact O-N 3.1Å; T218-Y221 VanDerWaalsContact O-N 3.1Å; Y221-F223 VanDerWaalsContact C-N 3.29Å; Y221-F223 PolarHBondContact O-N 3.38Å; Y221-I224 HydrophobicContact CD1-CD1 4.46Å; Y221-I224 PolarHBondContact O-N 3.09Å; Y221-R225 WeakPolarHBondContact O-CB 3.49Å; Y221-R225 VanDerWaalsContact O-CG 3.3Å; Y221-R225 WeakPolarHBondContact O-CG 3.42Å; Y221-R225 PolarHBondContact O-N 3.27Å; Y221-I331 HydrophobicContact CE1-CG1 4.4Å |
| 222 | N | 97 | Very high | 91.3 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -41 | 174.1 | -69.6 | -12.6 | 0 | 0 | 0 | 110.7 | T218 L219 Q226 L281 S282 S285 | T218-N222 PolarHBondContact O-N 3.06Å; L219-N222 PolarHBondContact O-N 3.13Å; N222-Q226 PolarHBondContact O-N 3.11Å; N222-L281 HydrophobicContact CB-CG 4.42Å; N222-S282 WeakPolarHBondContact O-CB 3.22Å; N222-S285 WeakPolarHBondContact CB-OG 3.44Å; N222-S285 PolarHBondContact ND2-OG 2.97Å |
| 223 | F | 96.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 172 | 173.8 | -105.8 | 0 | 0 | 0 | 112.4 | L219 L220 Y221 Q226 L286 L336 A339 L340 Q343 A349 L352 | L219-F223 PolarHBondContact O-N 3.2Å; L219-F223 VanDerWaalsContact O-N 3.09Å; L220-F223 WeakPolarHBondContact O-CB 3.48Å; L220-F223 PolarHBondContact O-N 3.42Å; Y221-F223 VanDerWaalsContact C-N 3.29Å; Y221-F223 PolarHBondContact O-N 3.38Å; F223-Q226 WeakPolarHBondContact O-CG 3.5Å; F223-L286 HydrophobicContact CD2-CB 4.34Å; F223-L286 HydrophobicContact CD2-CD1 4.39Å; F223-L286 HydrophobicContact CD2-CD2 3.77Å; F223-L286 HydrophobicContact CD2-CG 4.41Å; F223-L286 HydrophobicContact CE2-CD2 3.77Å; F223-L336 HydrophobicContact CD1-CD1 4.09Å; F223-L336 HydrophobicContact CE1-CD1 4.17Å; F223-A339 HydrophobicContact CD1-CB 4.2Å; F223-A339 HydrophobicContact CE1-CB 3.76Å; F223-A339 HydrophobicContact CZ-CB 4.28Å; F223-L340 HydrophobicContact CE1-CD2 4.03Å; F223-L340 HydrophobicContact CE1-CG 4.19Å; F223-L340 HydrophobicContact CZ-CD2 4.14Å; F223-Q343 HydrophobicContact CE2-CB 4.06Å; F223-Q343 HydrophobicContact CE2-CG 4.05Å; F223-Q343 HydrophobicContact CZ-CB 4.15Å; F223-Q343 HydrophobicContact CZ-CG 4.34Å; F223-A349 HydrophobicContact CE2-CB 4.4Å; F223-A349 HydrophobicContact CZ-CB 4.41Å; F223-L352 HydrophobicContact CD1-CD2 3.93Å; F223-L352 HydrophobicContact CE1-CD2 3.82Å; F223-L352 HydrophobicContact CG-CD2 4.44Å; F223-L352 HydrophobicContact CZ-CD2 4.23Å |
| 224 | I | 97.1 | Very high | 86.5 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.138 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 179.9 | -71.5 | 168.1 | 0 | 0 | 0 | 112.2 | L220 Y221 I331 L336 A339 | L220-I224 VanDerWaalsContact O-CG1 3.23Å; L220-I224 WeakPolarHBondContact O-CG1 3.49Å; L220-I224 PolarHBondContact O-N 3.44Å; Y221-I224 HydrophobicContact CD1-CD1 4.46Å; Y221-I224 PolarHBondContact O-N 3.09Å; I224-I331 HydrophobicContact CD1-CD1 3.57Å; I224-I331 HydrophobicContact CD1-CG1 4.03Å; I224-L336 HydrophobicContact CD1-CB 3.94Å; I224-L336 HydrophobicContact CD1-CD1 4.14Å; I224-L336 HydrophobicContact CG1-CB 4.34Å; I224-L336 HydrophobicContact CG1-CD1 4.05Å; I224-A339 HydrophobicContact CG1-CB 4.35Å |
| 225 | R | 93.6 | Very high | 83.7 | Confident | 138 Ų | 138 | 53.4 Ų | 53.4 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.9 | -29.5 | -172.1 | -74.1 | 179.2 | 133.1 | -160.2 | 4.5 | 113 | Y221 E227 | Y221-R225 WeakPolarHBondContact O-CB 3.49Å; Y221-R225 VanDerWaalsContact O-CG 3.3Å; Y221-R225 WeakPolarHBondContact O-CG 3.42Å; Y221-R225 PolarHBondContact O-N 3.27Å; R225-E227 HydrophobicContact CB-CG 4.07Å; R225-E227 IonicContact CZ-OE1 3.6Å; R225-E227 VanDerWaalsContact CZ-OE1 3.3Å; R225-E227 IonicContact NE-OE1 3.74Å; R225-E227 IonicContact NH1-OE1 3.3Å; R225-E227 PolarHBondContact NH1-OE1 3.31Å; R225-E227 PolarHBondContact O-N 3.34Å; R225-E227 VanDerWaalsContact O-N 3.16Å |
| 226 | Q | 89.3 | Confident | 81.4 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | trans | 49.4 | 43.4 | 178.7 | -63 | -175.7 | 39.9 | 0 | 0 | 112.3 | N222 F223 K228 L279 E342 | N222-Q226 PolarHBondContact O-N 3.11Å; F223-Q226 WeakPolarHBondContact O-CG 3.5Å; Q226-K228 PolarHBondContact O-N 3.22Å; Q226-L279 HydrophobicContact CB-CD1 3.72Å; Q226-L279 HydrophobicContact CG-CD1 4.06Å; Q226-L279 VanDerWaalsContact O-CD2 3.23Å; Q226-L279 WeakPolarHBondContact O-CD2 3.05Å; Q226-E342 PolarHBondContact NE2-OE2 3.46Å | ||
| 227 | E | 89.1 | Confident | 78.9 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 126.6 | -178 | -71.1 | -173.5 | -154.6 | 0 | 0 | 110.8 | L165 Y170 R225 | L165-E227 HydrophobicContact CD2-CB 4.31Å; L165-E227 HydrophobicContact CD2-CG 4.1Å; L165-E227 WeakPolarHBondContact CD2-OE1 3.49Å; L165-E227 VanDerWaalsContact CD2-OE2 3.32Å; L165-E227 WeakPolarHBondContact CD2-OE2 3.25Å; L165-E227 VanDerWaalsContact CG-OE2 3.24Å; L165-E227 WeakPolarHBondContact CG-OE2 3.37Å; Y170-E227 HydrophobicContact CE2-CB 4.4Å; Y170-E227 PolarHBondContact OH-O 3.22Å; R225-E227 HydrophobicContact CB-CG 4.07Å; R225-E227 IonicContact CZ-OE1 3.6Å; R225-E227 VanDerWaalsContact CZ-OE1 3.3Å; R225-E227 IonicContact NE-OE1 3.74Å; R225-E227 IonicContact NH1-OE1 3.3Å; R225-E227 PolarHBondContact NH1-OE1 3.31Å; R225-E227 PolarHBondContact O-N 3.34Å; R225-E227 VanDerWaalsContact O-N 3.16Å |
| 228 | K | 87.2 | Confident | 75.8 | Confident | 126 Ų | 126 | 64.4 Ų | 64.4 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.6 | 176.4 | -63.1 | -170.2 | 178.9 | -162.9 | 0 | 109.9 | Q226 P230 N277 L279 | Q226-K228 PolarHBondContact O-N 3.22Å; K228-P230 WeakPolarHBondContact O-CD 3.03Å; K228-N277 PolarHBondContact NZ-OD1 2.89Å; K228-L279 HydrophobicContact CG-CD2 3.88Å |
| 229 | C | 82.5 | Confident | 72.6 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 43% | 0.432 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 125.9 | 171.3 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | Y170 P280 | Y170-C229 HydrophobicContact CE1-CB 4.05Å; C229-P280 HydrophobicContact CB-CG 4.33Å |
| 230 | P | 81.4 | Confident | 69.3 | Low | 24 Ų | 24 | 78.4 Ų | 78.4 | 16% | 0.156 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 144.1 | 172.7 | -23.2 | 32.9 | 0 | 0 | 0 | 110.2 | D167 Y170 K228 | D167-P230 HydrophobicContact CB-CB 4.17Å; D167-P230 HydrophobicContact CB-CG 4.02Å; Y170-P230 HydrophobicContact CD1-CG 4.45Å; Y170-P230 HydrophobicContact CD2-CG 4.18Å; Y170-P230 HydrophobicContact CG-CG 3.9Å; K228-P230 WeakPolarHBondContact O-CD 3.03Å |
| 231 | P | 69.1 | Low | 66.1 | Low | 106 Ų | 106 | 82.8 Ų | 82.8 | 69% | 0.688 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 147.5 | 172.1 | 25.5 | -32.2 | 0 | 0 | 0 | 109.4 | A233 | P231-A233 PolarHBondContact O-N 3.03Š|
| 232 | P | 58.5 | Low | 62.9 | Low | 77 Ų | 77 | 88.3 Ų | 88.3 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 120.8 | 173.6 | -20.2 | 29.4 | 0 | 0 | 0 | 108.1 | A234 | P232-A234 PolarHBondContact O-N 2.93Š|
| 233 | A | 51.1 | Low | 59.8 | Low | 51 Ų | 51 | 92 Ų | 92 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | trans | -60.6 | 103.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | P231 H235 I236 | P231-A233 PolarHBondContact O-N 3.03Å; A233-H235 PolarHBondContact O-N 2.91Å; A233-I236 HydrophobicContact CB-CD1 4.15Å; A233-I236 HydrophobicContact CB-CG1 3.73Å | ||
| 234 | A | 39.2 | Very low | 56.6 | Low | 89 Ų | 89 | 94.6 Ų | 94.6 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -0.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P232 | P232-A234 PolarHBondContact O-N 2.93Š|
| 235 | H | 39.3 | Very low | 53.6 | Low | 133 Ų | 133 | 102 Ų | 102 | 62% | 0.616 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 3.1 | -168.6 | -63.1 | -66.9 | 0 | 0 | 0 | 115.1 | A233 F237 | A233-H235 PolarHBondContact O-N 2.91Å; H235-F237 PolarHBondContact O-N 3.19Å; H235-F237 VanDerWaalsContact O-N 3.07Å |
| 236 | I | 48.9 | Very low | 50.9 | Low | 72 Ų | 72 | 103.2 Ų | 103.2 | 37% | 0.369 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.1 | -23.7 | -177.5 | -55.4 | -180 | 0 | 0 | 0 | 111.4 | A233 | A233-I236 HydrophobicContact CB-CD1 4.15Å; A233-I236 HydrophobicContact CB-CG1 3.73Å |
| 237 | F | 45.5 | Very low | 48.4 | Very low | 85 Ų | 85 | 109.2 Ų | 109.2 | 37% | 0.373 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143.3 | 62.5 | 175.7 | -61.8 | -77.4 | 0 | 0 | 0 | 113 | H235 Y247 | H235-F237 PolarHBondContact O-N 3.19Å; H235-F237 VanDerWaalsContact O-N 3.07Å; F237-Y247 HydrophobicContact CE1-CD1 4.2Å |
| 238 | E | 32.7 | Very low | 45.6 | Very low | 143 Ų | 143 | 110 Ų | 110 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | trans | -82.8 | 123.4 | 151.4 | -89 | -171.7 | 165.3 | 0 | 0 | 108.5 | K240 | E238-K240 PolarHBondContact O-N 3.33Š| ||
| 239 | P | 31.4 | Very low | 43.2 | Very low | 120 Ų | 120 | 112 Ų | 112 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | trans | -68.7 | 109 | -179.5 | 26.6 | -30.6 | 0 | 0 | 0 | 109.3 | A241 | P239-A241 VanDerWaalsContact C-N 3.34Å; P239-A241 PolarHBondContact O-N 3.17Å | ||
| 240 | K | 30 | Very low | 41.1 | Very low | 208 Ų | 208 | 111.6 Ų | 111.6 | 90% | 0.904 | 66% | 0.663 | S | S | * | * | trans | -65.2 | 104.7 | 149.5 | -80.4 | -175.2 | 179.1 | 175.1 | 0 | 106.1 | E238 E242 | E238-K240 PolarHBondContact O-N 3.33Å; K240-E242 PolarHBondContact O-N 3.16Å | ||
| 241 | A | 31.5 | Very low | 38.8 | Very low | 93 Ų | 93 | 114.8 Ų | 114.8 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -61.8 | 94.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P239 | P239-A241 VanDerWaalsContact C-N 3.34Å; P239-A241 PolarHBondContact O-N 3.17Å |
| 242 | E | 29 | Very low | 37 | Very low | 193 Ų | 193 | 113 Ų | 113 | 90% | 0.902 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -174.6 | 105.4 | 149.2 | -104.7 | 167.6 | -163.5 | 0 | 0 | 110.9 | K240 | K240-E242 PolarHBondContact O-N 3.16Š|
| 243 | G | 32.8 | Very low | 36 | Very low | 91 Ų | 91 | 114.9 Ų | 114.9 | 94% | 0.938 | 70% | 0.696 | S | S | * | * | trans | 77.2 | 81.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 244 | G | 30.5 | Very low | 35.3 | Very low | 58 Ų | 58 | 117.2 Ų | 117.2 | 60% | 0.598 | 72% | 0.715 | S | S | * | * | trans | -176 | 101 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L246 | G244-L246 PolarHBondContact O-N 3.07Š| ||
| 245 | L | 33.4 | Very low | 35 | Very low | 183 Ų | 183 | 118.7 Ų | 118.7 | 96% | 0.958 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 19.2 | -166.3 | -167.1 | 60.3 | 0 | 0 | 0 | 116 | ||
| 246 | L | 35.7 | Very low | 34.5 | Very low | 163 Ų | 163 | 114.2 Ų | 114.2 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 0.1 | -175.4 | -73.2 | 169.4 | 0 | 0 | 0 | 116.1 | G244 | G244-L246 PolarHBondContact O-N 3.07Š|
| 247 | Y | 38.4 | Very low | 33.8 | Very low | 162 Ų | 162 | 118 Ų | 118 | 64% | 0.635 | 73% | 0.73 | S | S | * | * | trans | -104.4 | 18.8 | -169.8 | -75 | -83.8 | 0 | 0 | 0 | 115.9 | F237 | F237-Y247 HydrophobicContact CE1-CD1 4.2Š| ||
| 248 | G | 30.3 | Very low | 33.3 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -94.6 | 1.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 249 | L | 36.3 | Very low | 33.1 | Very low | 169 Ų | 169 | 121.5 Ų | 121.5 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -116 | -8.5 | -166.7 | -67.5 | 175.3 | 0 | 0 | 0 | 116.9 | ||
| 250 | A | 37.1 | Very low | 33 | Very low | 55 Ų | 55 | 120.6 Ų | 120.6 | 46% | 0.455 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -103 | -0.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G252 | A250-G252 PolarHBondContact O-N 2.98Š|
| 251 | S | 34.6 | Very low | 33 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -85.2 | 5.7 | -166.9 | -177.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 252 | G | 31.9 | Very low | 33.1 | Very low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -85.3 | -19.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | A250 | A250-G252 PolarHBondContact O-N 2.98Š|
| 253 | V | 37.3 | Very low | 33.3 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -143.9 | 4 | -160.5 | -138.9 | 0 | 0 | 0 | 0 | 116.9 | S255 | V253-S255 VanDerWaalsContact C-N 3.27Å; V253-S255 PolarHBondContact O-N 3.47Å |
| 254 | A | 35 | Very low | 32.8 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -9.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 255 | S | 33.2 | Very low | 32.6 | Very low | 120 Ų | 120 | 120.5 Ų | 120.5 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -4.6 | -174.3 | 179.5 | 0 | 0 | 0 | 0 | 115 | V253 | V253-S255 VanDerWaalsContact C-N 3.27Å; V253-S255 PolarHBondContact O-N 3.47Å |
| 256 | G | 28.5 | Very low | 32.4 | Very low | 39 Ų | 39 | 117.2 Ų | 117.2 | 40% | 0.402 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -97.1 | -8.9 | -158.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 257 | L | 35.6 | Very low | 32.1 | Very low | 151 Ų | 151 | 112.8 Ų | 112.8 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -111.4 | -4.9 | -162.9 | -67.3 | 175.2 | 0 | 0 | 0 | 116.5 | ||
| 258 | W | 33.6 | Very low | 31.5 | Very low | 211 Ų | 211 | 111 Ų | 111 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -89.1 | -18.3 | 171.6 | -104.9 | 95.7 | 0 | 0 | 0 | 114.1 | V260 | W258-V260 VanDerWaalsContact C-N 3.32Å; W258-V260 PolarHBondContact O-N 3.15Å |
| 259 | S | 28.3 | Very low | 31.3 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -2.6 | -179.3 | 62.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 260 | V | 30.9 | Very low | 30.9 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 62% | 0.618 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -6.6 | -176.3 | -179.5 | 0 | 0 | 0 | 0 | 113 | W258 | W258-V260 VanDerWaalsContact C-N 3.32Å; W258-V260 PolarHBondContact O-N 3.15Å |
| 261 | F | 30 | Very low | 30.4 | Very low | 191 Ų | 191 | 117.5 Ų | 117.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 2.4 | 178.6 | -100.2 | -81.5 | 0 | 0 | 0 | 115.9 | ||
| 262 | T | 32.3 | Very low | 30.3 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 4 | 175.1 | 47.1 | 0 | 0 | 0 | 0 | 115 | ||
| 263 | L | 33 | Very low | 30.2 | Very low | 166 Ų | 166 | 123.7 Ų | 123.7 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -157.7 | 108.2 | 176 | -134.2 | 100.5 | 0 | 0 | 0 | 113.3 | ||
| 264 | G | 24.2 | Very low | 30 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | 128.5 | 90.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 265 | G | 24.8 | Very low | 29.9 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -169.7 | 52.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G267 | G265-G267 PolarHBondContact O-N 2.93Š| ||
| 266 | A | 29.9 | Very low | 30.3 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 93% | 0.934 | 77% | 0.772 | S | S | * | * | trans | -61.3 | 120.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 267 | G | 28.5 | Very low | 31.3 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 127.8 | 53.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | G265 | G265-G267 PolarHBondContact O-N 2.93Š| ||
| 268 | S | 25.3 | Very low | 32.7 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -156.3 | 146 | 144.9 | -90.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 269 | R | 26.9 | Very low | 35.1 | Very low | 250 Ų | 250 | 119.1 Ų | 119.1 | 94% | 0.943 | 73% | 0.729 | S | S | * | * | trans | -59.3 | 141.3 | -156.1 | -67.6 | 171.6 | 170.3 | 170.9 | -4.4 | 113.4 | G271 | R269-G271 PolarHBondContact O-N 3.2Š| ||
| 270 | A | 28.7 | Very low | 38 | Very low | 110 Ų | 110 | 115 Ų | 115 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | trans | -54.5 | 125.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 271 | G | 26.1 | Very low | 40.9 | Very low | 69 Ų | 69 | 110.4 Ų | 110.4 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -126.2 | 129.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | R269 | R269-G271 PolarHBondContact O-N 3.2Š| ||
| 272 | I | 32 | Very low | 44 | Very low | 159 Ų | 159 | 101.8 Ų | 101.8 | 82% | 0.815 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -71.6 | 141.6 | -174.4 | -66.7 | 159.7 | 0 | 0 | 0 | 109 | ||
| 273 | D | 29.4 | Very low | 46.9 | Very low | 131 Ų | 131 | 97.7 Ų | 97.7 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | trans | 80.3 | 54.9 | 173.7 | -57.3 | -18.5 | 0 | 0 | 0 | 119.9 | ||||
| 274 | Q | 33.2 | Very low | 49.8 | Very low | 172 Ų | 172 | 89.8 Ų | 89.8 | 80% | 0.804 | 57% | 0.567 | S | S | * | * | trans | -108.1 | 55.5 | 157.6 | -90 | -175.5 | 11.7 | 0 | 0 | 111.9 | N276 | Q274-N276 PolarHBondContact O-N 3.05Š| ||
| 275 | D | 33.4 | Very low | 53.3 | Low | 153 Ų | 153 | 85.7 Ų | 85.7 | 82% | 0.818 | 53% | 0.525 | S | S | * | . | trans | -81.7 | 80.8 | 155.3 | -98.5 | -13 | 0 | 0 | 0 | 107.3 | N277 | D275-N277 PolarHBondContact O-N 2.89Š| ||
| 276 | N | 42.1 | Very low | 56.8 | Low | 113 Ų | 113 | 82.2 Ų | 82.2 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | trans | -67.6 | 71.3 | 175.4 | -98.6 | -10.4 | 0 | 0 | 0 | 110.4 | Q274 L278 | Q274-N276 PolarHBondContact O-N 3.05Å; N276-L278 HydrophobicContact CB-CD2 4.47Å; N276-L278 HydrophobicContact CB-CG 4.04Å; N276-L278 PolarHBondContact O-N 3.28Å | ||
| 277 | N | 48.7 | Very low | 60 | Low | 100 Ų | 100 | 76.8 Ų | 76.8 | 54% | 0.535 | 44% | 0.443 | S | S | . | . | trans | -67.8 | 72.9 | 150.4 | -79.4 | -63.9 | 0 | 0 | 0 | 106.6 | K228 D275 L279 | K228-N277 PolarHBondContact NZ-OD1 2.89Å; D275-N277 PolarHBondContact O-N 2.89Å; N277-L279 PolarHBondContact O-N 3.38Å | ||
| 278 | L | 66.1 | Low | 63.4 | Low | 73 Ų | 73 | 73.4 Ų | 73.4 | 38% | 0.382 | 41% | 0.409 | S | S | . | . | trans | -57.9 | 128.5 | 177.7 | -69.1 | 162.5 | 0 | 0 | 0 | 107 | N276 P280 | N276-L278 HydrophobicContact CB-CD2 4.47Å; N276-L278 HydrophobicContact CB-CG 4.04Å; N276-L278 PolarHBondContact O-N 3.28Å; L278-P280 HydrophobicContact CB-CG 4.4Å; L278-P280 WeakPolarHBondContact O-CD 3.29Å | ||
| 279 | L | 83.8 | Confident | 66.8 | Low | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | trans | -108 | 71 | 170.1 | -57.9 | 172.2 | 0 | 0 | 0 | 108.1 | Q226 K228 N277 L281 S282 N283 | Q226-L279 HydrophobicContact CB-CD1 3.72Å; Q226-L279 HydrophobicContact CG-CD1 4.06Å; Q226-L279 VanDerWaalsContact O-CD2 3.23Å; Q226-L279 WeakPolarHBondContact O-CD2 3.05Å; K228-L279 HydrophobicContact CG-CD2 3.88Å; N277-L279 PolarHBondContact O-N 3.38Å; L279-L281 PolarHBondContact O-N 3.36Å; L279-S282 WeakPolarHBondContact CB-OG 3.31Å; L279-S282 PolarHBondContact O-N 2.91Å; L279-S282 PolarHBondContact O-OG 2.99Å; L279-S282 VanDerWaalsContact O-OG 3.06Å; L279-N283 PolarHBondContact O-N 3.43Å; L279-N283 VanDerWaalsContact O-N 3.13Å | ||
| 280 | P | 88.1 | Confident | 70.2 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.032 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.1 | -50.8 | -170.2 | -25.7 | 30.4 | 0 | 0 | 0 | 113.1 | Y170 F174 C229 L278 S282 N283 Q284 V652 | Y170-P280 WeakPolarHBondContact OH-CD 3.32Å; F174-P280 HydrophobicContact CD2-CB 3.84Å; F174-P280 HydrophobicContact CE1-CB 4.45Å; F174-P280 HydrophobicContact CE2-CB 3.45Å; F174-P280 VanDerWaalsContact CE2-CB 3.45Å; F174-P280 HydrophobicContact CG-CB 4.49Å; F174-P280 HydrophobicContact CZ-CB 3.8Å; C229-P280 HydrophobicContact CB-CG 4.33Å; L278-P280 HydrophobicContact CB-CG 4.4Å; L278-P280 WeakPolarHBondContact O-CD 3.29Å; P280-S282 PolarHBondContact O-N 2.91Å; P280-N283 PolarHBondContact O-N 3.31Å; P280-Q284 VanDerWaalsContact O-CB 3.24Å; P280-Q284 WeakPolarHBondContact O-CB 3.43Å; P280-Q284 PolarHBondContact O-N 2.92Å; P280-V652 HydrophobicContact CB-CB 4.31Å; P280-V652 HydrophobicContact CB-CG1 3.86Å; P280-V652 HydrophobicContact CG-CG1 4.16Å |
| 281 | L | 92.7 | Very high | 73.5 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | -174.7 | -179.2 | 63.4 | 0 | 0 | 0 | 112.5 | L165 Y170 F174 V177 N222 L279 S285 | L165-L281 HydrophobicContact CD1-CD2 3.43Å; L165-L281 VanDerWaalsContact CD1-CD2 3.43Å; L165-L281 HydrophobicContact CD2-CD2 3.87Å; L165-L281 HydrophobicContact CG-CD2 4.31Å; Y170-L281 HydrophobicContact CD2-CD2 4.37Å; Y170-L281 HydrophobicContact CE1-CB 4.41Å; Y170-L281 HydrophobicContact CE2-CB 3.99Å; Y170-L281 HydrophobicContact CE2-CD2 4.16Å; Y170-L281 PolarHBondContact OH-N 2.87Å; F174-L281 HydrophobicContact CB-CD1 4.29Å; F174-L281 HydrophobicContact CD2-CB 4.44Å; V177-L281 HydrophobicContact CG2-CD1 4.13Å; N222-L281 HydrophobicContact CB-CG 4.42Å; L279-L281 PolarHBondContact O-N 3.36Å; L281-S285 WeakPolarHBondContact O-CB 3.5Å; L281-S285 PolarHBondContact O-N 3.5Å; L281-S285 PolarHBondContact O-OG 2.99Å |
| 282 | S | 94.1 | Very high | 76.9 | Confident | 10 Ų | 10 | 47.5 Ų | 47.5 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.7 | -45.3 | -179.5 | 67.4 | 0 | 0 | 0 | 0 | 111.1 | N222 L279 P280 S285 L286 | N222-S282 WeakPolarHBondContact O-CB 3.22Å; L279-S282 WeakPolarHBondContact CB-OG 3.31Å; L279-S282 PolarHBondContact O-N 2.91Å; L279-S282 PolarHBondContact O-OG 2.99Å; L279-S282 VanDerWaalsContact O-OG 3.06Å; P280-S282 PolarHBondContact O-N 2.91Å; S282-S285 PolarHBondContact O-N 3.27Å; S282-L286 WeakPolarHBondContact O-CB 3.27Å; S282-L286 PolarHBondContact O-N 3.24Å |
| 283 | N | 93.8 | Very high | 79.9 | Confident | 35 Ų | 35 | 40 Ų | 40 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -46 | 178.3 | -179.4 | 60.4 | 0 | 0 | 0 | 111.8 | L279 P280 S285 L286 L287 S650 | L279-N283 PolarHBondContact O-N 3.43Å; L279-N283 VanDerWaalsContact O-N 3.13Å; P280-N283 PolarHBondContact O-N 3.31Å; N283-S285 VanDerWaalsContact C-N 3.32Å; N283-S285 PolarHBondContact O-N 2.61Å; N283-L286 PolarHBondContact O-N 3.06Å; N283-L287 WeakPolarHBondContact O-CG 3.45Å; N283-L287 PolarHBondContact O-N 2.93Å; N283-S650 PolarHBondContact ND2-O 2.94Å |
| 284 | Q | 94.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.5 | -36.7 | 178.5 | -150.1 | 74 | 11.7 | 0 | 0 | 112 | F174 V177 P280 L286 L287 L288 | F174-Q284 HydrophobicContact CD2-CB 4.31Å; F174-Q284 HydrophobicContact CE2-CB 3.89Å; F174-Q284 HydrophobicContact CE2-CG 4.12Å; V177-Q284 HydrophobicContact CG1-CB 4.03Å; V177-Q284 HydrophobicContact CG1-CG 3.97Å; P280-Q284 VanDerWaalsContact O-CB 3.24Å; P280-Q284 WeakPolarHBondContact O-CB 3.43Å; P280-Q284 PolarHBondContact O-N 2.92Å; Q284-L286 VanDerWaalsContact C-N 3.35Å; Q284-L287 PolarHBondContact O-N 2.89Å; Q284-L288 WeakPolarHBondContact O-CB 3.24Å; Q284-L288 PolarHBondContact O-N 3.44Å |
| 285 | S | 97.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 175.5 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | N222 L281 S282 N283 L289 | N222-S285 WeakPolarHBondContact CB-OG 3.44Å; N222-S285 PolarHBondContact ND2-OG 2.97Å; L281-S285 WeakPolarHBondContact O-CB 3.5Å; L281-S285 PolarHBondContact O-N 3.5Å; L281-S285 PolarHBondContact O-OG 2.99Å; S282-S285 PolarHBondContact O-N 3.27Å; N283-S285 VanDerWaalsContact C-N 3.32Å; N283-S285 PolarHBondContact O-N 2.61Å; S285-L289 VanDerWaalsContact O-CB 3.3Å; S285-L289 WeakPolarHBondContact O-CB 3.4Å; S285-L289 PolarHBondContact O-N 2.96Å |
| 286 | L | 98.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 175.2 | 179.4 | 58.3 | 0 | 0 | 0 | 111.5 | F223 S282 N283 Q284 L288 L289 L290 Q348 L352 | F223-L286 HydrophobicContact CD2-CB 4.34Å; F223-L286 HydrophobicContact CD2-CD1 4.39Å; F223-L286 HydrophobicContact CD2-CD2 3.77Å; F223-L286 HydrophobicContact CD2-CG 4.41Å; F223-L286 HydrophobicContact CE2-CD2 3.77Å; S282-L286 WeakPolarHBondContact O-CB 3.27Å; S282-L286 PolarHBondContact O-N 3.24Å; N283-L286 PolarHBondContact O-N 3.06Å; Q284-L286 VanDerWaalsContact C-N 3.35Å; L286-L288 PolarHBondContact O-N 3.36Å; L286-L289 WeakPolarHBondContact O-CB 3.31Å; L286-L289 PolarHBondContact O-N 3.39Å; L286-L290 HydrophobicContact CD1-CD1 4.31Å; L286-L290 HydrophobicContact CD1-CG 4.3Å; L286-L290 HydrophobicContact CG-CD1 4.18Å; L286-L290 VanDerWaalsContact O-CG 3.28Å; L286-L290 WeakPolarHBondContact O-CG 3.5Å; L286-L290 PolarHBondContact O-N 3.42Å; L286-Q348 HydrophobicContact CD2-CB 3.45Å; L286-Q348 VanDerWaalsContact CD2-CB 3.45Å; L286-Q348 HydrophobicContact CG-CB 3.94Å; L286-L352 HydrophobicContact CD1-CB 3.95Å; L286-L352 HydrophobicContact CD1-CD2 3.65Å; L286-L352 HydrophobicContact CD1-CG 4.23Å |
| 287 | L | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 175.5 | -73.1 | 173.7 | 0 | 0 | 0 | 111.8 | L181 N283 Q284 L289 L290 V291 Q348 L646 V647 | L181-L287 HydrophobicContact CD2-CB 4.41Å; N283-L287 WeakPolarHBondContact O-CG 3.45Å; N283-L287 PolarHBondContact O-N 2.93Å; Q284-L287 PolarHBondContact O-N 2.89Å; L287-L289 PolarHBondContact O-N 3.12Å; L287-L290 PolarHBondContact O-N 2.91Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 3.4Å; L287-Q348 HydrophobicContact CD2-CG 3.51Å; L287-Q348 HydrophobicContact CG-CG 4.25Å; L287-L646 HydrophobicContact CD2-CB 3.89Å; L287-V647 HydrophobicContact CB-CG2 4.2Å; L287-V647 HydrophobicContact CD2-CG2 4.03Å |
| 288 | L | 98.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 175.7 | 179.6 | 61.4 | 0 | 0 | 0 | 111.7 | V177 L180 L181 F184 L219 Q284 L286 L290 V291 L292 | V177-L288 HydrophobicContact CB-CD2 4.48Å; V177-L288 HydrophobicContact CG1-CB 4.18Å; V177-L288 HydrophobicContact CG1-CD2 3.91Å; L180-L288 HydrophobicContact CB-CD1 4.07Å; L180-L288 HydrophobicContact CB-CD2 3.85Å; L180-L288 HydrophobicContact CD1-CD2 3.97Å; L181-L288 HydrophobicContact CB-CD1 4.43Å; L181-L288 HydrophobicContact CD1-CB 4.41Å; L181-L288 HydrophobicContact CD1-CD1 4.24Å; F184-L288 HydrophobicContact CD2-CD1 4.15Å; F184-L288 HydrophobicContact CE2-CD1 4.35Å; L219-L288 HydrophobicContact CD1-CD2 4.21Å; L219-L288 HydrophobicContact CD1-CG 4.19Å; L219-L288 HydrophobicContact CD2-CD2 4.11Å; Q284-L288 WeakPolarHBondContact O-CB 3.24Å; Q284-L288 PolarHBondContact O-N 3.44Å; L286-L288 PolarHBondContact O-N 3.36Å; L288-L290 VanDerWaalsContact C-N 3.32Å; L288-L290 PolarHBondContact O-N 3.15Å; L288-V291 PolarHBondContact O-N 3.2Å; L288-L292 HydrophobicContact CD1-CD1 4.19Å; L288-L292 HydrophobicContact CD1-CG 4.13Å; L288-L292 HydrophobicContact CG-CD1 3.96Å; L288-L292 HydrophobicContact CG-CG 4.35Å; L288-L292 WeakPolarHBondContact O-CB 3.5Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.48Å; L288-L292 PolarHBondContact O-N 2.98Å |
| 289 | L | 98.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 176.7 | 176.9 | 64 | 0 | 0 | 0 | 111.5 | V216 L219 L220 S285 L286 L287 L292 A293 I309 L352 | V216-L289 HydrophobicContact CB-CD1 4.45Å; V216-L289 HydrophobicContact CG1-CD1 3.96Å; V216-L289 HydrophobicContact CG2-CD1 4.28Å; L219-L289 HydrophobicContact CB-CB 4.2Å; L219-L289 HydrophobicContact CD1-CB 4.08Å; L219-L289 HydrophobicContact CD1-CD1 4.45Å; L220-L289 HydrophobicContact CD2-CD2 3.5Å; L220-L289 VanDerWaalsContact CD2-CD2 3.5Å; L220-L289 HydrophobicContact CG-CD2 3.83Å; S285-L289 VanDerWaalsContact O-CB 3.3Å; S285-L289 WeakPolarHBondContact O-CB 3.4Å; S285-L289 PolarHBondContact O-N 2.96Å; L286-L289 WeakPolarHBondContact O-CB 3.31Å; L286-L289 PolarHBondContact O-N 3.39Å; L287-L289 PolarHBondContact O-N 3.12Å; L289-L292 PolarHBondContact O-N 3.29Å; L289-A293 VanDerWaalsContact O-CB 3.26Å; L289-A293 WeakPolarHBondContact O-CB 3.43Å; L289-A293 PolarHBondContact O-N 2.89Å; L289-I309 HydrophobicContact CD1-CD1 3.97Å; L289-I309 HydrophobicContact CD1-CG1 4.42Å; L289-I309 HydrophobicContact CG-CD1 4.48Å; L289-L352 HydrophobicContact CD2-CD1 4.21Å |
| 290 | L | 98.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 178.2 | -70 | 170.4 | 0 | 0 | 0 | 111.8 | L286 L287 L288 N294 Q348 L351 V643 | L286-L290 HydrophobicContact CD1-CD1 4.31Å; L286-L290 HydrophobicContact CD1-CG 4.3Å; L286-L290 HydrophobicContact CG-CD1 4.18Å; L286-L290 VanDerWaalsContact O-CG 3.28Å; L286-L290 WeakPolarHBondContact O-CG 3.5Å; L286-L290 PolarHBondContact O-N 3.42Å; L287-L290 PolarHBondContact O-N 2.91Å; L288-L290 VanDerWaalsContact C-N 3.32Å; L288-L290 PolarHBondContact O-N 3.15Å; L290-N294 WeakPolarHBondContact O-CB 3.48Å; L290-N294 PolarHBondContact O-N 2.92Å; L290-N294 PolarHBondContact O-ND2 3.5Å; L290-Q348 HydrophobicContact CD1-CB 4.02Å; L290-L351 HydrophobicContact CD1-CD2 4.28Å; L290-L351 HydrophobicContact CD2-CB 4.39Å; L290-L351 HydrophobicContact CD2-CD2 4.09Å; L290-L351 HydrophobicContact CD2-CG 3.97Å; L290-V643 HydrophobicContact CB-CG1 3.93Å; L290-V643 HydrophobicContact CB-CG2 4.22Å |
| 291 | V | 97.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -50.3 | 173.4 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | L181 F184 L287 L288 A293 N294 L295 V643 W644 V647 | L181-V291 HydrophobicContact CD1-CB 4.3Å; L181-V291 HydrophobicContact CD1-CG2 3.76Å; F184-V291 HydrophobicContact CB-CG1 3.76Å; F184-V291 HydrophobicContact CD1-CG1 4.44Å; F184-V291 HydrophobicContact CD2-CG1 4.47Å; F184-V291 HydrophobicContact CG-CG1 3.98Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 3.4Å; L288-V291 PolarHBondContact O-N 3.2Å; V291-A293 PolarHBondContact O-N 3.47Å; V291-N294 CarbonylContact O-C 3.45Å; V291-N294 PolarHBondContact O-N 3.42Å; V291-L295 PolarHBondContact O-N 2.92Å; V291-L295 VanDerWaalsContact O-N 3.13Å; V291-V643 HydrophobicContact CB-CG1 4.39Å; V291-V643 HydrophobicContact CG2-CG1 3.56Å; V291-W644 HydrophobicContact CG1-CZ2 3.87Å; V291-W644 HydrophobicContact CG2-CH2 4.34Å; V291-W644 HydrophobicContact CG2-CZ2 4.05Å; V291-V647 HydrophobicContact CG2-CG2 3.99Å |
| 292 | L | 96.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | -179.7 | -69.5 | 173.7 | 0 | 0 | 0 | 112.5 | F184 I203 L215 L219 L288 L289 N294 L295 N303 F305 | F184-L292 HydrophobicContact CD2-CD2 4.45Å; F184-L292 HydrophobicContact CE1-CD2 4.23Å; F184-L292 HydrophobicContact CE2-CD2 3.64Å; F184-L292 HydrophobicContact CZ-CD2 3.51Å; I203-L292 HydrophobicContact CG2-CD2 4.32Å; L215-L292 HydrophobicContact CD2-CD1 3.9Å; L219-L292 HydrophobicContact CD1-CD1 4.01Å; L288-L292 HydrophobicContact CD1-CD1 4.19Å; L288-L292 HydrophobicContact CD1-CG 4.13Å; L288-L292 HydrophobicContact CG-CD1 3.96Å; L288-L292 HydrophobicContact CG-CG 4.35Å; L288-L292 WeakPolarHBondContact O-CB 3.5Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.48Å; L288-L292 PolarHBondContact O-N 2.98Å; L289-L292 PolarHBondContact O-N 3.29Å; L292-N294 VanDerWaalsContact C-N 3.26Å; L292-N294 PolarHBondContact O-N 2.87Å; L292-L295 HydrophobicContact CD2-CD1 4.07Å; L292-L295 PolarHBondContact O-N 3.27Å; L292-N303 PolarHBondContact O-ND2 2.97Å; L292-F305 HydrophobicContact CB-CB 4.06Å; L292-F305 HydrophobicContact CB-CD1 4.18Å; L292-F305 HydrophobicContact CB-CD2 4.05Å; L292-F305 HydrophobicContact CB-CG 3.81Å; L292-F305 HydrophobicContact CD1-CD1 4.15Å; L292-F305 HydrophobicContact CD1-CE1 4.19Å; L292-F305 HydrophobicContact CD2-CD2 4.15Å; L292-F305 HydrophobicContact CD2-CE1 4.46Å; L292-F305 HydrophobicContact CD2-CE2 3.93Å; L292-F305 HydrophobicContact CD2-CZ 4.12Å |
| 293 | A | 95.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -31 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L289 V291 N303 R306 I309 | L289-A293 VanDerWaalsContact O-CB 3.26Å; L289-A293 WeakPolarHBondContact O-CB 3.43Å; L289-A293 PolarHBondContact O-N 2.89Å; V291-A293 PolarHBondContact O-N 3.47Å; A293-N303 PolarHBondContact O-ND2 3.37Å; A293-R306 PolarHBondContact O-NE 2.89Å; A293-R306 PolarHBondContact O-NH2 3.48Å; A293-I309 HydrophobicContact CB-CD1 3.37Å |
| 294 | N | 94.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 5.5 | -176.7 | -71.2 | -75.8 | 0 | 0 | 0 | 113.8 | L290 V291 L292 F639 I640 V643 | L290-N294 WeakPolarHBondContact O-CB 3.48Å; L290-N294 PolarHBondContact O-N 2.92Å; L290-N294 PolarHBondContact O-ND2 3.5Å; V291-N294 CarbonylContact O-C 3.45Å; V291-N294 PolarHBondContact O-N 3.42Å; L292-N294 VanDerWaalsContact C-N 3.26Å; L292-N294 PolarHBondContact O-N 2.87Å; N294-F639 WeakPolarHBondContact OD1-CB 3.34Å; N294-I640 HydrophobicContact CB-CG1 4.42Å; N294-I640 WeakPolarHBondContact O-CD1 3.45Å; N294-I640 WeakPolarHBondContact O-CG1 3.34Å; N294-V643 HydrophobicContact CB-CG2 4.5Å |
| 295 | L | 92.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -55.8 | 144.2 | 164.4 | -62 | 177 | 0 | 0 | 0 | 109.7 | F184 Y200 M204 V291 L292 N303 F305 | F184-L295 HydrophobicContact CD1-CD1 4.45Å; F184-L295 HydrophobicContact CD1-CD2 3.99Å; F184-L295 HydrophobicContact CE1-CD1 3.79Å; F184-L295 HydrophobicContact CE1-CD2 4.14Å; F184-L295 HydrophobicContact CZ-CD1 4.39Å; Y200-L295 HydrophobicContact CD1-CD2 4.34Å; Y200-L295 HydrophobicContact CD2-CD2 4.23Å; Y200-L295 HydrophobicContact CE1-CD2 4.25Å; Y200-L295 HydrophobicContact CE2-CD2 4.06Å; Y200-L295 HydrophobicContact CG-CD2 4.36Å; M204-L295 HydrophobicContact CE-CB 4.43Å; M204-L295 HydrophobicContact CG-CD1 4.17Å; M204-L295 HydrophobicContact SD-CB 4.13Å; M204-L295 HydrophobicContact SD-CD1 3.83Å; V291-L295 PolarHBondContact O-N 2.92Å; V291-L295 VanDerWaalsContact O-N 3.13Å; L292-L295 HydrophobicContact CD2-CD1 4.07Å; L292-L295 PolarHBondContact O-N 3.27Å; L295-N303 PolarHBondContact O-ND2 2.65Å; L295-F305 HydrophobicContact CD1-CD2 4.44Å |
| 296 | T | 90 | Very high | 92.1 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 152.6 | -179.4 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | I193 L194 R195 E636 I640 | I193-T296 HydrophobicContact CG2-CG2 3.45Å; I193-T296 VanDerWaalsContact CG2-CG2 3.45Å; L194-T296 PolarHBondContact O-OG1 2.71Å; R195-T296 WeakPolarHBondContact CA-OG1 3.35Å; R195-T296 HydrophobicContact CG-CG2 4.24Å; T296-E636 HydrophobicContact CG2-CB 4.41Å; T296-E636 HydrophobicContact CG2-CG 4.5Å; T296-I640 HydrophobicContact CG2-CD1 3.95Å |
| 297 | D | 87.8 | Confident | 91.9 | Very high | 85 Ų | 85 | 31 Ų | 31 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -71 | 142 | 170.3 | -66 | -37.3 | 0 | 0 | 0 | 109.8 | P302 N303 | D297-P302 WeakPolarHBondContact OD1-CA 3.46Å; D297-N303 WeakPolarHBondContact OD1-CB 3.3Å; D297-N303 PolarHBondContact OD1-N 3.16Å |
| 298 | G | 79.7 | Confident | 91.8 | Very high | 13 Ų | 13 | 31 Ų | 31 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 166.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D300 W301 | G298-D300 VanDerWaalsContact C-N 3.26Å; G298-D300 PolarHBondContact O-N 3.48Å; G298-W301 WeakPolarHBondContact CA-O 3.39Å; G298-W301 PolarHBondContact N-O 2.68Å |
| 299 | P | 75 | Confident | 91.8 | Very high | 115 Ų | 115 | 31.1 Ų | 31.1 | 75% | 0.747 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -56.3 | -37.9 | -177.8 | -25.2 | 34.1 | 0 | 0 | 0 | 113.9 | ||
| 300 | D | 80.7 | Confident | 91.6 | Very high | 145 Ų | 145 | 33.8 Ų | 33.8 | 78% | 0.775 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -121.4 | -0 | -176.4 | -60.5 | -53.8 | 0 | 0 | 0 | 113.5 | G298 | G298-D300 VanDerWaalsContact C-N 3.26Å; G298-D300 PolarHBondContact O-N 3.48Å |
| 301 | W | 82.1 | Confident | 91.4 | Very high | 83 Ų | 83 | 35 Ų | 35 | 31% | 0.314 | 19% | 0.193 | S | C | . | . | trans | -138 | 118 | -177.9 | 51.1 | 84.5 | 0 | 0 | 0 | 111.1 | G298 | G298-W301 WeakPolarHBondContact CA-O 3.39Å; G298-W301 PolarHBondContact N-O 2.68Å | ||
| 302 | P | 89.9 | Confident | 91.3 | Very high | 63 Ų | 63 | 34.8 Ų | 34.8 | 41% | 0.409 | 19% | 0.192 | S | C | . | . | trans | -70.7 | 161 | 175 | 30.6 | -36 | 0 | 0 | 0 | 111.3 | D297 P304 | D297-P302 WeakPolarHBondContact OD1-CA 3.46Å; P302-P304 VanDerWaalsContact O-CD 3.27Å; P302-P304 WeakPolarHBondContact O-CD 3.33Å; P302-P304 VanDerWaalsContact O-N 3.16Å | ||
| 303 | N | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -63 | 112.9 | 177.1 | 177.1 | -14.3 | 0 | 0 | 0 | 111.4 | M204 L292 A293 L295 D297 F305 R306 Q307 | M204-N303 HydrophobicContact CE-CB 3.9Å; L292-N303 PolarHBondContact O-ND2 2.97Å; A293-N303 PolarHBondContact O-ND2 3.37Å; L295-N303 PolarHBondContact O-ND2 2.65Å; D297-N303 WeakPolarHBondContact OD1-CB 3.3Å; D297-N303 PolarHBondContact OD1-N 3.16Å; N303-F305 VanDerWaalsContact C-N 3.3Å; N303-F305 PolarHBondContact O-N 3.13Å; N303-F305 WeakPolarHBondContact OD1-CB 3.49Å; N303-F305 WeakPolarHBondContact OD1-CD2 3.3Å; N303-F305 PolarHBondContact OD1-N 3.49Å; N303-R306 HydrophobicContact CB-CB 3.95Å; N303-R306 PolarHBondContact O-N 3.43Å; N303-R306 PolarHBondContact OD1-N 3.47Å; N303-Q307 WeakPolarHBondContact O-CG 3.45Å; N303-Q307 PolarHBondContact O-N 3.29Å | ||
| 304 | P | 94.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.1 | -25.6 | -174.3 | 31.6 | -36.8 | 0 | 0 | 0 | 112.4 | M204 L209 T212 P302 Q307 A308 | M204-P304 HydrophobicContact CB-CG 4.37Å; L209-P304 HydrophobicContact CD1-CB 3.71Å; L209-P304 HydrophobicContact CD1-CG 3.92Å; T212-P304 HydrophobicContact CG2-CB 3.96Å; T212-P304 HydrophobicContact CG2-CG 4.39Å; T212-P304 WeakPolarHBondContact CG2-O 3.28Å; P302-P304 VanDerWaalsContact O-CD 3.27Å; P302-P304 WeakPolarHBondContact O-CD 3.33Å; P302-P304 VanDerWaalsContact O-N 3.16Å; P304-Q307 PolarHBondContact O-N 2.98Å; P304-A308 WeakPolarHBondContact O-CB 3.44Å; P304-A308 PolarHBondContact O-N 3.24Å |
| 305 | F | 96 | Very high | 91.1 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.3 | -41.9 | 175.4 | -55.9 | -75.6 | 0 | 0 | 0 | 111.2 | I203 M204 T212 L215 V216 L292 L295 N303 Q307 A308 I309 | I203-F305 HydrophobicContact CG2-CE2 3.71Å; I203-F305 HydrophobicContact CG2-CZ 3.44Å; I203-F305 VanDerWaalsContact CG2-CZ 3.44Å; M204-F305 HydrophobicContact CG-CE2 4.02Å; T212-F305 HydrophobicContact CG2-CD1 3.57Å; T212-F305 HydrophobicContact CG2-CE1 3.71Å; T212-F305 HydrophobicContact CG2-CG 4.16Å; T212-F305 HydrophobicContact CG2-CZ 4.43Å; L215-F305 HydrophobicContact CD2-CE1 3.93Å; V216-F305 HydrophobicContact CG2-CB 4.28Å; V216-F305 HydrophobicContact CG2-CD1 3.81Å; L292-F305 HydrophobicContact CB-CB 4.06Å; L292-F305 HydrophobicContact CB-CD1 4.18Å; L292-F305 HydrophobicContact CB-CD2 4.05Å; L292-F305 HydrophobicContact CB-CG 3.81Å; L292-F305 HydrophobicContact CD1-CD1 4.15Å; L292-F305 HydrophobicContact CD1-CE1 4.19Å; L292-F305 HydrophobicContact CD2-CD2 4.15Å; L292-F305 HydrophobicContact CD2-CE1 4.46Å; L292-F305 HydrophobicContact CD2-CE2 3.93Å; L292-F305 HydrophobicContact CD2-CZ 4.12Å; L295-F305 HydrophobicContact CD1-CD2 4.44Å; N303-F305 VanDerWaalsContact C-N 3.3Å; N303-F305 PolarHBondContact O-N 3.13Å; N303-F305 WeakPolarHBondContact OD1-CB 3.49Å; N303-F305 WeakPolarHBondContact OD1-CD2 3.3Å; N303-F305 PolarHBondContact OD1-N 3.49Å; F305-Q307 VanDerWaalsContact C-N 3.33Å; F305-A308 PolarHBondContact O-N 3.48Å; F305-I309 WeakPolarHBondContact O-CG1 3.14Å; F305-I309 PolarHBondContact O-N 2.85Å |
| 306 | R | 95.1 | Very high | 91 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 18% | 0.177 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 173.2 | -168.2 | -179.1 | -61.9 | -144.4 | 8.3 | 111.3 | A293 N303 I309 T310 | A293-R306 PolarHBondContact O-NE 2.89Å; A293-R306 PolarHBondContact O-NH2 3.48Å; N303-R306 HydrophobicContact CB-CB 3.95Å; N303-R306 PolarHBondContact O-N 3.43Å; N303-R306 PolarHBondContact OD1-N 3.47Å; R306-I309 PolarHBondContact O-N 2.9Å; R306-T310 WeakPolarHBondContact O-CB 3.25Å; R306-T310 PolarHBondContact O-N 3.42Å; R306-T310 PolarHBondContact O-OG1 2.82Å |
| 307 | Q | 94.9 | Very high | 90.9 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 24% | 0.243 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 173.2 | -71.1 | -175 | -29.5 | 0 | 0 | 112.2 | N303 P304 F305 I309 T310 C311 | N303-Q307 WeakPolarHBondContact O-CG 3.45Å; N303-Q307 PolarHBondContact O-N 3.29Å; P304-Q307 PolarHBondContact O-N 2.98Å; F305-Q307 VanDerWaalsContact C-N 3.33Å; Q307-I309 VanDerWaalsContact C-N 3.34Å; Q307-I309 PolarHBondContact O-N 3.37Å; Q307-T310 WeakPolarHBondContact O-CB 3.49Å; Q307-T310 PolarHBondContact O-N 3.29Å; Q307-C311 VanDerWaalsContact O-CB 3.29Å; Q307-C311 WeakPolarHBondContact O-CB 2.9Å; Q307-C311 PolarHBondContact O-N 3.37Å; Q307-C311 PolarHBondContact O-SG 2.92Å |
| 308 | A | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T212 V216 P304 F305 C311 F312 H327 F329 | T212-A308 HydrophobicContact CG2-CB 4.34Å; V216-A308 HydrophobicContact CB-CB 4.23Å; V216-A308 HydrophobicContact CG1-CB 4.34Å; V216-A308 HydrophobicContact CG2-CB 3.97Å; P304-A308 WeakPolarHBondContact O-CB 3.44Å; P304-A308 PolarHBondContact O-N 3.24Å; F305-A308 PolarHBondContact O-N 3.48Å; A308-C311 PolarHBondContact O-N 3.01Å; A308-F312 PolarHBondContact O-N 3.3Å; A308-H327 HydrophobicContact CB-CB 3.97Å; A308-F329 HydrophobicContact CB-CE1 4.2Å |
| 309 | I | 96.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.7 | -69.3 | 168.5 | 0 | 0 | 0 | 111.4 | V216 L289 A293 F305 R306 Q307 C311 F312 T355 L356 N360 | V216-I309 HydrophobicContact CG1-CG1 3.94Å; L289-I309 HydrophobicContact CD1-CD1 3.97Å; L289-I309 HydrophobicContact CD1-CG1 4.42Å; L289-I309 HydrophobicContact CG-CD1 4.48Å; A293-I309 HydrophobicContact CB-CD1 3.37Å; F305-I309 WeakPolarHBondContact O-CG1 3.14Å; F305-I309 PolarHBondContact O-N 2.85Å; R306-I309 PolarHBondContact O-N 2.9Å; Q307-I309 VanDerWaalsContact C-N 3.34Å; Q307-I309 PolarHBondContact O-N 3.37Å; I309-C311 VanDerWaalsContact C-N 3.33Å; I309-C311 PolarHBondContact O-N 3.36Å; I309-F312 HydrophobicContact CG2-CE1 4.48Å; I309-F312 WeakPolarHBondContact O-CD1 3.42Å; I309-F312 WeakPolarHBondContact O-CE1 3.35Å; I309-T355 HydrophobicContact CG2-CG2 3.98Å; I309-L356 HydrophobicContact CG2-CD2 4.05Å; I309-N360 PolarHBondContact O-ND2 3.05Å |
| 310 | T | 95.7 | Very high | 90.5 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 179.4 | -59.5 | 0 | 0 | 0 | 0 | 112 | R306 Q307 Q359 N360 | R306-T310 WeakPolarHBondContact O-CB 3.25Å; R306-T310 PolarHBondContact O-N 3.42Å; R306-T310 PolarHBondContact O-OG1 2.82Å; Q307-T310 WeakPolarHBondContact O-CB 3.49Å; Q307-T310 PolarHBondContact O-N 3.29Å; T310-Q359 WeakPolarHBondContact CG2-O 3.49Å; T310-N360 PolarHBondContact O-ND2 3.04Å |
| 311 | C | 93.6 | Very high | 90.2 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -102 | -13.8 | -165 | -62.8 | 0 | 0 | 0 | 0 | 115.6 | Q307 A308 I309 P325 T328 | Q307-C311 VanDerWaalsContact O-CB 3.29Å; Q307-C311 WeakPolarHBondContact O-CB 2.9Å; Q307-C311 PolarHBondContact O-N 3.37Å; Q307-C311 PolarHBondContact O-SG 2.92Å; A308-C311 PolarHBondContact O-N 3.01Å; I309-C311 VanDerWaalsContact C-N 3.33Å; I309-C311 PolarHBondContact O-N 3.36Å; C311-P325 HydrophobicContact CB-CB 4.06Å; C311-P325 HydrophobicContact CB-CG 3.88Å; C311-T328 PolarHBondContact O-OG1 3.32Å |
| 312 | F | 95.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -63.8 | 153.9 | -176.7 | 75.6 | -107.4 | 0 | 0 | 0 | 112.8 | L220 A308 I309 F329 I331 F333 L336 L356 N360 | L220-F312 HydrophobicContact CD1-CD1 4.47Å; L220-F312 HydrophobicContact CD1-CE1 4.17Å; A308-F312 PolarHBondContact O-N 3.3Å; I309-F312 HydrophobicContact CG2-CE1 4.48Å; I309-F312 WeakPolarHBondContact O-CD1 3.42Å; I309-F312 WeakPolarHBondContact O-CE1 3.35Å; F312-F329 CarbonylContact C-O 3.6Å; F312-F329 VanDerWaalsContact CA-O 3.27Å; F312-F329 WeakPolarHBondContact CA-O 3.18Å; F312-F329 HydrophobicContact CB-CD1 3.95Å; F312-F329 HydrophobicContact CB-CD2 3.99Å; F312-F329 HydrophobicContact CB-CE1 3.64Å; F312-F329 HydrophobicContact CB-CE2 3.69Å; F312-F329 HydrophobicContact CB-CG 4.11Å; F312-F329 HydrophobicContact CB-CZ 3.49Å; F312-F329 VanDerWaalsContact CB-CZ 3.49Å; F312-F329 WeakPolarHBondContact CB-O 3.1Å; F312-F329 HydrophobicContact CD1-CE1 4.28Å; F312-F329 HydrophobicContact CD1-CE2 4.42Å; F312-F329 AromaticContact CD1-CZ 3.77Å; F312-F329 HydrophobicContact CD1-CZ 3.77Å; F312-F329 HydrophobicContact CG-CE1 4.32Å; F312-F329 HydrophobicContact CG-CE2 4.05Å; F312-F329 AromaticContact CG-CZ 3.79Å; F312-F329 HydrophobicContact CG-CZ 3.79Å; F312-I331 HydrophobicContact CD2-CG2 3.53Å; F312-I331 HydrophobicContact CE2-CG2 3.63Å; F312-I331 HydrophobicContact CG-CG2 4.44Å; F312-F333 AromaticContact CD2-CE1 3.72Å; F312-F333 HydrophobicContact CD2-CE1 3.72Å; F312-F333 HydrophobicContact CD2-CZ 4.31Å; F312-F333 HydrophobicContact CE2-CD1 4.36Å; F312-F333 AromaticContact CE2-CE1 3.55Å; F312-F333 HydrophobicContact CE2-CE1 3.55Å; F312-F333 HydrophobicContact CE2-CZ 4.15Å; F312-L336 HydrophobicContact CE2-CD2 4.24Å; F312-L336 HydrophobicContact CZ-CD2 4.02Å; F312-L356 HydrophobicContact CE1-CD2 3.64Å; F312-L356 HydrophobicContact CZ-CD2 3.53Å; F312-N360 WeakPolarHBondContact CE1-ND2 3.2Å; F312-N360 PolarHBondContact O-ND2 2.87Å; F312-N360 VanDerWaalsContact O-ND2 3.08Å | ||
| 313 | R | 94.6 | Very high | 89.1 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 166.4 | -171.5 | -64.4 | 174 | 173.3 | -134.3 | -27.6 | 112.9 | D317 S319 F329 Q330 I331 F333 | R313-D317 HydrophobicContact CB-CB 4.48Å; R313-D317 IonicContact NH1-OD2 3.3Å; R313-S319 PolarHBondContact NH1-O 3.32Å; R313-S319 PolarHBondContact NH1-OG 3.33Å; R313-S319 VanDerWaalsContact NH1-OG 3.15Å; R313-F329 PolarHBondContact N-O 2.74Å; R313-Q330 HydrophobicContact CB-CG 4.41Å; R313-Q330 CarbonylContact O-C 3.52Å; R313-Q330 VanDerWaalsContact O-CA 3.31Å; R313-Q330 WeakPolarHBondContact O-CA 3.14Å; R313-I331 PolarHBondContact O-N 3.09Å; R313-F333 WeakPolarHBondContact O-CE1 3.32Å |
| 314 | N | 95.4 | Very high | 88.2 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 142.6 | 173.4 | -166.2 | 0.9 | 0 | 0 | 0 | 109.9 | Q316 D317 I331 F333 | N314-Q316 PolarHBondContact O-N 3.47Å; N314-Q316 VanDerWaalsContact O-N 3.09Å; N314-D317 HydrophobicContact CB-CB 4.39Å; N314-D317 WeakPolarHBondContact O-CB 3.42Å; N314-D317 PolarHBondContact O-N 3.1Å; N314-I331 CarbonylContact C-O 3.6Å; N314-I331 WeakPolarHBondContact CA-O 3.42Å; N314-I331 PolarHBondContact OD1-O 3.01Å; N314-F333 HydrophobicContact CB-CB 4.43Å; N314-F333 HydrophobicContact CB-CD1 3.86Å; N314-F333 HydrophobicContact CB-CD2 3.62Å; N314-F333 HydrophobicContact CB-CE1 3.99Å; N314-F333 HydrophobicContact CB-CE2 3.77Å; N314-F333 HydrophobicContact CB-CG 3.69Å; N314-F333 HydrophobicContact CB-CZ 3.97Å; N314-F333 VanDerWaalsContact N-CZ 3.27Å; N314-F333 PolarHBondContact OD1-N 3.46Å |
| 315 | T | 94.1 | Very high | 87.5 | Confident | 58 Ų | 58 | 62 Ų | 62 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.2 | 171.1 | 44.6 | 0 | 0 | 0 | 0 | 114 | Q330 I331 | T315-Q330 HydrophobicContact CG2-CB 4.12Å; T315-I331 PolarHBondContact N-O 3.21Å |
| 316 | Q | 89.6 | Confident | 86.9 | Confident | 147 Ų | 147 | 65.4 Ų | 65.4 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.8 | 176.5 | -63.2 | 177.2 | -10.8 | 0 | 0 | 113.1 | N314 T318 | N314-Q316 PolarHBondContact O-N 3.47Å; N314-Q316 VanDerWaalsContact O-N 3.09Å; Q316-T318 PolarHBondContact O-N 3.24Å |
| 317 | D | 87.1 | Confident | 86.6 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | trans | -78.4 | 107.2 | 177.7 | -174.2 | 5.3 | 0 | 0 | 0 | 109.7 | R313 N314 S319 Q330 | R313-D317 HydrophobicContact CB-CB 4.48Å; R313-D317 IonicContact NH1-OD2 3.3Å; N314-D317 HydrophobicContact CB-CB 4.39Å; N314-D317 WeakPolarHBondContact O-CB 3.42Å; N314-D317 PolarHBondContact O-N 3.1Å; D317-S319 VanDerWaalsContact CG-OG 3.27Å; D317-S319 WeakPolarHBondContact OD1-CB 3.24Å; D317-S319 PolarHBondContact OD1-N 3.35Å; D317-S319 PolarHBondContact OD1-OG 3.39Å; D317-S319 PolarHBondContact OD2-OG 3.39Å; D317-Q330 PolarHBondContact O-NE2 3.06Å | ||
| 318 | T | 80.7 | Confident | 86.4 | Confident | 137 Ų | 137 | 64.2 Ų | 64.2 | 84% | 0.84 | 37% | 0.373 | S | S | * | . | trans | -97 | 7.4 | 177.3 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | Q316 S320 | Q316-T318 PolarHBondContact O-N 3.24Å; T318-S320 PolarHBondContact O-N 3.4Å | ||
| 319 | S | 81.2 | Confident | 86.3 | Confident | 61 Ų | 61 | 65 Ų | 65 | 43% | 0.427 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 122.2 | 177.9 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | R313 D317 | R313-S319 PolarHBondContact NH1-O 3.32Å; R313-S319 PolarHBondContact NH1-OG 3.33Å; R313-S319 VanDerWaalsContact NH1-OG 3.15Å; D317-S319 VanDerWaalsContact CG-OG 3.27Å; D317-S319 WeakPolarHBondContact OD1-CB 3.24Å; D317-S319 PolarHBondContact OD1-N 3.35Å; D317-S319 PolarHBondContact OD1-OG 3.39Å; D317-S319 PolarHBondContact OD2-OG 3.39Å |
| 320 | S | 73.4 | Confident | 86.2 | Confident | 115 Ų | 115 | 68.9 Ų | 68.9 | 80% | 0.804 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 124.9 | 168 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | T318 | T318-S320 PolarHBondContact O-N 3.4Š|
| 321 | L | 74.6 | Confident | 86.2 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 36% | 0.356 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -85 | 146.5 | 168.1 | -75.2 | -178.1 | 0 | 0 | 0 | 110.3 | V323 P325 | L321-V323 WeakPolarHBondContact CB-O 3.19Å; L321-V323 PolarHBondContact O-N 3.16Å; L321-P325 HydrophobicContact CD1-CG 4.45Å |
| 322 | P | 70.8 | Confident | 86.4 | Confident | 131 Ų | 131 | 67.2 Ų | 67.2 | 85% | 0.851 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -61 | -31.9 | 171.6 | -20 | 30.8 | 0 | 0 | 0 | 113.1 | ||
| 323 | V | 77.3 | Confident | 86.5 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -137.4 | 118.5 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 107 | L321 | L321-V323 WeakPolarHBondContact CB-O 3.19Å; L321-V323 PolarHBondContact O-N 3.16Å |
| 324 | E | 75.8 | Confident | 86.6 | Confident | 145 Ų | 145 | 68.9 Ų | 68.9 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 131.7 | 174.4 | -75.3 | -169.4 | 163.4 | 0 | 0 | 110 | T328 | E324-T328 HydrophobicContact CB-CG2 4.18Š|
| 325 | P | 79.8 | Confident | 86.8 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 149.4 | 174.4 | 23.1 | -28.7 | 0 | 0 | 0 | 110.2 | C311 L321 T328 | C311-P325 HydrophobicContact CB-CB 4.06Å; C311-P325 HydrophobicContact CB-CG 3.88Å; L321-P325 HydrophobicContact CD1-CG 4.45Å; P325-T328 WeakPolarHBondContact O-CB 3.27Å; P325-T328 WeakPolarHBondContact O-CG2 3.26Å; P325-T328 PolarHBondContact O-N 3.24Å |
| 326 | P | 82.8 | Confident | 87 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 47% | 0.474 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 146.5 | 178.2 | 28.3 | -35.1 | 0 | 0 | 0 | 110 | T328 | P326-T328 PolarHBondContact O-N 3.31Å; P326-T328 VanDerWaalsContact O-N 3.17Å |
| 327 | H | 88 | Confident | 87.4 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 23 | 177.3 | -49.4 | -65.9 | 0 | 0 | 0 | 116.3 | L209 T212 S213 A308 | L209-H327 WeakPolarHBondContact CD1-CE1 3.39Å; L209-H327 PolarHBondContact O-CE1 2.81Å; T212-H327 HydrophobicContact CG2-CB 4.47Å; S213-H327 WeakPolarHBondContact CB-O 3.33Å; S213-H327 WeakPolarHBondContact OG-CA 3.25Å; S213-H327 WeakPolarHBondContact OG-CB 3.38Å; S213-H327 PolarHBondContact OG-O 3.46Å; A308-H327 HydrophobicContact CB-CB 3.97Å |
| 328 | T | 91.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 61 Ų | 61 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | trans | -69.8 | 150 | 177.3 | -167.4 | 0 | 0 | 0 | 0 | 113.9 | C311 E324 P325 P326 | C311-T328 PolarHBondContact O-OG1 3.32Å; E324-T328 HydrophobicContact CB-CG2 4.18Å; P325-T328 WeakPolarHBondContact O-CB 3.27Å; P325-T328 WeakPolarHBondContact O-CG2 3.26Å; P325-T328 PolarHBondContact O-N 3.24Å; P326-T328 PolarHBondContact O-N 3.31Å; P326-T328 VanDerWaalsContact O-N 3.17Å | ||
| 329 | F | 94.6 | Very high | 88.6 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | trans | -155.1 | 173 | 171.2 | 65.6 | -87.2 | 0 | 0 | 0 | 110.9 | V216 K217 L220 A308 F312 R313 I331 | V216-F329 HydrophobicContact CB-CE1 4.12Å; V216-F329 HydrophobicContact CB-CZ 4.4Å; V216-F329 HydrophobicContact CG1-CE1 3.79Å; V216-F329 HydrophobicContact CG1-CZ 3.77Å; K217-F329 HydrophobicContact CB-CD2 3.65Å; K217-F329 HydrophobicContact CB-CE2 3.69Å; K217-F329 HydrophobicContact CB-CG 4.08Å; K217-F329 HydrophobicContact CB-CZ 4.17Å; K217-F329 HydrophobicContact CD-CB 4.24Å; K217-F329 HydrophobicContact CD-CD2 3.7Å; K217-F329 HydrophobicContact CD-CE2 4.43Å; K217-F329 HydrophobicContact CD-CG 4.2Å; K217-F329 HydrophobicContact CG-CD2 3.72Å; K217-F329 HydrophobicContact CG-CE2 3.95Å; K217-F329 HydrophobicContact CG-CG 4.47Å; L220-F329 HydrophobicContact CD1-CE2 4.33Å; L220-F329 HydrophobicContact CD1-CZ 3.95Å; A308-F329 HydrophobicContact CB-CE1 4.2Å; F312-F329 CarbonylContact C-O 3.6Å; F312-F329 VanDerWaalsContact CA-O 3.27Å; F312-F329 WeakPolarHBondContact CA-O 3.18Å; F312-F329 HydrophobicContact CB-CD1 3.95Å; F312-F329 HydrophobicContact CB-CD2 3.99Å; F312-F329 HydrophobicContact CB-CE1 3.64Å; F312-F329 HydrophobicContact CB-CE2 3.69Å; F312-F329 HydrophobicContact CB-CG 4.11Å; F312-F329 HydrophobicContact CB-CZ 3.49Å; F312-F329 VanDerWaalsContact CB-CZ 3.49Å; F312-F329 WeakPolarHBondContact CB-O 3.1Å; F312-F329 HydrophobicContact CD1-CE1 4.28Å; F312-F329 HydrophobicContact CD1-CE2 4.42Å; F312-F329 AromaticContact CD1-CZ 3.77Å; F312-F329 HydrophobicContact CD1-CZ 3.77Å; F312-F329 HydrophobicContact CG-CE1 4.32Å; F312-F329 HydrophobicContact CG-CE2 4.05Å; F312-F329 AromaticContact CG-CZ 3.79Å; F312-F329 HydrophobicContact CG-CZ 3.79Å; R313-F329 PolarHBondContact N-O 2.74Å; F329-I331 HydrophobicContact CE2-CB 4.22Å | ||
| 330 | Q | 95 | Very high | 89.4 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.1 | 175.8 | -66.2 | -178.2 | -11.7 | 0 | 0 | 112.6 | K217 R313 T315 D317 | K217-Q330 VanDerWaalsContact CE-O 3.25Å; K217-Q330 WeakPolarHBondContact CE-O 3.4Å; K217-Q330 PolarHBondContact NZ-O 3.29Å; R313-Q330 HydrophobicContact CB-CG 4.41Å; R313-Q330 CarbonylContact O-C 3.52Å; R313-Q330 VanDerWaalsContact O-CA 3.31Å; R313-Q330 WeakPolarHBondContact O-CA 3.14Å; T315-Q330 HydrophobicContact CG2-CB 4.12Å; D317-Q330 PolarHBondContact O-NE2 3.06Å |
| 331 | I | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.2 | 175 | -160.9 | 167.1 | 0 | 0 | 0 | 111 | L220 Y221 I224 F312 R313 N314 T315 F329 F333 | L220-I331 HydrophobicContact CB-CD1 3.69Å; L220-I331 HydrophobicContact CD1-CD1 4.07Å; Y221-I331 HydrophobicContact CE1-CG1 4.4Å; I224-I331 HydrophobicContact CD1-CD1 3.57Å; I224-I331 HydrophobicContact CD1-CG1 4.03Å; F312-I331 HydrophobicContact CD2-CG2 3.53Å; F312-I331 HydrophobicContact CE2-CG2 3.63Å; F312-I331 HydrophobicContact CG-CG2 4.44Å; R313-I331 PolarHBondContact O-N 3.09Å; N314-I331 CarbonylContact C-O 3.6Å; N314-I331 WeakPolarHBondContact CA-O 3.42Å; N314-I331 PolarHBondContact OD1-O 3.01Å; T315-I331 PolarHBondContact N-O 3.21Å; F329-I331 HydrophobicContact CE2-CB 4.22Å; I331-F333 HydrophobicContact CG2-CD1 3.92Å; I331-F333 HydrophobicContact CG2-CE1 3.94Å; I331-F333 PolarHBondContact O-N 3.11Å |
| 332 | N | 97.1 | Very high | 91.5 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | trans | -75.7 | 111 | 176.8 | -173.5 | -67.8 | 0 | 0 | 0 | 109.9 | N334 S335 L336 | N332-N334 VanDerWaalsContact C-N 3.3Å; N332-N334 PolarHBondContact O-N 3.03Å; N332-N334 WeakPolarHBondContact OD1-CA 3.47Å; N332-N334 WeakPolarHBondContact OD1-CB 3.23Å; N332-N334 PolarHBondContact OD1-N 3.3Å; N332-S335 PolarHBondContact O-N 3.35Å; N332-S335 PolarHBondContact OD1-N 3.11Å; N332-S335 PolarHBondContact OD1-OG 3.25Å; N332-L336 PolarHBondContact O-N 2.93Å; N332-L336 VanDerWaalsContact O-N 3.16Å | ||
| 333 | F | 97.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -31.4 | -177.2 | -78 | 10.1 | 0 | 0 | 0 | 113.2 | F312 R313 N314 I331 L336 Y337 N362 M363 Y366 | F312-F333 AromaticContact CD2-CE1 3.72Å; F312-F333 HydrophobicContact CD2-CE1 3.72Å; F312-F333 HydrophobicContact CD2-CZ 4.31Å; F312-F333 HydrophobicContact CE2-CD1 4.36Å; F312-F333 AromaticContact CE2-CE1 3.55Å; F312-F333 HydrophobicContact CE2-CE1 3.55Å; F312-F333 HydrophobicContact CE2-CZ 4.15Å; R313-F333 WeakPolarHBondContact O-CE1 3.32Å; N314-F333 HydrophobicContact CB-CB 4.43Å; N314-F333 HydrophobicContact CB-CD1 3.86Å; N314-F333 HydrophobicContact CB-CD2 3.62Å; N314-F333 HydrophobicContact CB-CE1 3.99Å; N314-F333 HydrophobicContact CB-CE2 3.77Å; N314-F333 HydrophobicContact CB-CG 3.69Å; N314-F333 HydrophobicContact CB-CZ 3.97Å; N314-F333 VanDerWaalsContact N-CZ 3.27Å; N314-F333 PolarHBondContact OD1-N 3.46Å; I331-F333 HydrophobicContact CG2-CD1 3.92Å; I331-F333 HydrophobicContact CG2-CE1 3.94Å; I331-F333 PolarHBondContact O-N 3.11Å; F333-L336 PolarHBondContact O-N 3.26Å; F333-Y337 VanDerWaalsContact O-CB 3.26Å; F333-Y337 WeakPolarHBondContact O-CB 3.18Å; F333-Y337 PolarHBondContact O-N 2.62Å; F333-N362 HydrophobicContact CE2-CB 3.9Å; F333-N362 HydrophobicContact CZ-CB 3.89Å; F333-M363 HydrophobicContact CB-SD 4.23Å; F333-M363 HydrophobicContact CD1-SD 4.15Å; F333-M363 HydrophobicContact CD2-SD 4.01Å; F333-M363 HydrophobicContact CE1-SD 4.48Å; F333-M363 HydrophobicContact CE2-SD 4.35Å; F333-M363 HydrophobicContact CG-SD 3.88Å; F333-M363 HydrophobicContact CZ-CB 4.48Å; F333-Y366 HydrophobicContact CB-CD1 3.79Å; F333-Y366 HydrophobicContact CB-CD2 3.94Å; F333-Y366 HydrophobicContact CB-CE1 3.79Å; F333-Y366 HydrophobicContact CB-CE2 3.93Å; F333-Y366 HydrophobicContact CB-CG 3.88Å; F333-Y366 HydrophobicContact CD2-CD1 4.2Å; F333-Y366 AromaticContact CD2-CD2 3.87Å; F333-Y366 HydrophobicContact CD2-CD2 3.87Å; F333-Y366 AromaticContact CD2-CG 3.61Å; F333-Y366 HydrophobicContact CD2-CG 3.61Å; F333-Y366 HydrophobicContact CG-CD1 4.45Å; F333-Y366 HydrophobicContact CG-CD2 4.44Å; F333-Y366 HydrophobicContact CG-CG 4.23Å |
| 334 | N | 97.4 | Very high | 93.3 | Very high | 67 Ų | 67 | 40.2 Ų | 40.2 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.4 | -46 | 177.6 | -171.1 | 77.6 | 0 | 0 | 0 | 111.3 | N332 L336 Y337 T338 Y366 R370 | N332-N334 VanDerWaalsContact C-N 3.3Å; N332-N334 PolarHBondContact O-N 3.03Å; N332-N334 WeakPolarHBondContact OD1-CA 3.47Å; N332-N334 WeakPolarHBondContact OD1-CB 3.23Å; N332-N334 PolarHBondContact OD1-N 3.3Å; N334-L336 VanDerWaalsContact C-N 3.33Å; N334-L336 PolarHBondContact O-N 2.82Å; N334-Y337 PolarHBondContact O-N 3.16Å; N334-T338 PolarHBondContact O-N 3.09Å; N334-T338 PolarHBondContact O-OG1 3.39Å; N334-T338 VanDerWaalsContact O-OG1 3.09Å; N334-Y366 VanDerWaalsContact CA-OH 3.27Å; N334-Y366 WeakPolarHBondContact CA-OH 3.49Å; N334-Y366 WeakPolarHBondContact CB-OH 3.44Å; N334-Y366 PolarHBondContact N-OH 3.48Å; N334-Y366 PolarHBondContact OD1-OH 3.35Å; N334-R370 PolarHBondContact OD1-NH1 2.92Å |
| 335 | S | 97.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 39.6 Ų | 39.6 | 33% | 0.329 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | N332 A339 | N332-S335 PolarHBondContact O-N 3.35Å; N332-S335 PolarHBondContact OD1-N 3.11Å; N332-S335 PolarHBondContact OD1-OG 3.25Å; S335-A339 PolarHBondContact O-N 3.39Å; S335-A339 VanDerWaalsContact O-N 3.1Å |
| 336 | L | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.2 | -176.7 | 57.3 | 0 | 0 | 0 | 112.2 | L220 F223 I224 F312 N332 F333 N334 A339 L340 L356 M363 | L220-L336 HydrophobicContact CD2-CD1 4.29Å; F223-L336 HydrophobicContact CD1-CD1 4.09Å; F223-L336 HydrophobicContact CE1-CD1 4.17Å; I224-L336 HydrophobicContact CD1-CB 3.94Å; I224-L336 HydrophobicContact CD1-CD1 4.14Å; I224-L336 HydrophobicContact CG1-CB 4.34Å; I224-L336 HydrophobicContact CG1-CD1 4.05Å; F312-L336 HydrophobicContact CE2-CD2 4.24Å; F312-L336 HydrophobicContact CZ-CD2 4.02Å; N332-L336 PolarHBondContact O-N 2.93Å; N332-L336 VanDerWaalsContact O-N 3.16Å; F333-L336 PolarHBondContact O-N 3.26Å; N334-L336 VanDerWaalsContact C-N 3.33Å; N334-L336 PolarHBondContact O-N 2.82Å; L336-A339 PolarHBondContact O-N 3.2Å; L336-L340 HydrophobicContact CD1-CD1 4.47Å; L336-L340 HydrophobicContact CD1-CG 4.47Å; L336-L340 HydrophobicContact CG-CD1 4.18Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.32Å; L336-L340 PolarHBondContact O-N 3.32Å; L336-L356 HydrophobicContact CD2-CD1 3.93Å; L336-L356 HydrophobicContact CG-CD1 4.39Å; L336-M363 HydrophobicContact CB-CE 4.41Å; L336-M363 HydrophobicContact CD2-CE 4.21Å; L336-M363 HydrophobicContact CD2-SD 4.26Å; L336-M363 HydrophobicContact CG-CE 4.16Å |
| 337 | Y | 98.1 | Very high | 95 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.8 | 175.5 | -102 | 0 | 0 | 0 | 112.4 | F333 N334 L340 C341 Y366 I367 R370 D372 L376 | F333-Y337 VanDerWaalsContact O-CB 3.26Å; F333-Y337 WeakPolarHBondContact O-CB 3.18Å; F333-Y337 PolarHBondContact O-N 2.62Å; N334-Y337 PolarHBondContact O-N 3.16Å; Y337-L340 PolarHBondContact O-N 2.81Å; Y337-C341 VanDerWaalsContact CZ-SG 3.56Å; Y337-C341 PolarHBondContact O-N 3.38Å; Y337-C341 PolarHBondContact O-SG 2.92Å; Y337-Y366 HydrophobicContact CG-CE1 4.37Å; Y337-I367 HydrophobicContact CD2-CG1 4.09Å; Y337-I367 HydrophobicContact CE2-CG2 4.39Å; Y337-R370 HydrophobicContact CD1-CG 4.44Å; Y337-R370 HydrophobicContact CD2-CG 4.33Å; Y337-R370 HydrophobicContact CE1-CG 4.11Å; Y337-R370 HydrophobicContact CE2-CB 4.48Å; Y337-R370 HydrophobicContact CE2-CG 3.97Å; Y337-D372 PolarHBondContact OH-O 3.44Å; Y337-L376 HydrophobicContact CE2-CD2 4.24Å |
| 338 | T | 97.5 | Very high | 95.3 | Very high | 53 Ų | 53 | 35.8 Ų | 35.8 | 33% | 0.325 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 177 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | N334 L340 C341 E342 | N334-T338 PolarHBondContact O-N 3.09Å; N334-T338 PolarHBondContact O-OG1 3.39Å; N334-T338 VanDerWaalsContact O-OG1 3.09Å; T338-L340 VanDerWaalsContact C-N 3.34Å; T338-L340 PolarHBondContact O-N 2.95Å; T338-C341 PolarHBondContact O-N 2.89Å; T338-E342 HydrophobicContact CG2-CG 4.47Å; T338-E342 WeakPolarHBondContact CG2-OE1 3.44Å; T338-E342 WeakPolarHBondContact O-CG 3.46Å; T338-E342 PolarHBondContact O-N 3.23Å |
| 339 | A | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F223 I224 S335 L336 E342 Q343 | F223-A339 HydrophobicContact CD1-CB 4.2Å; F223-A339 HydrophobicContact CE1-CB 3.76Å; F223-A339 HydrophobicContact CZ-CB 4.28Å; I224-A339 HydrophobicContact CG1-CB 4.35Å; S335-A339 PolarHBondContact O-N 3.39Å; S335-A339 VanDerWaalsContact O-N 3.1Å; L336-A339 PolarHBondContact O-N 3.2Å; A339-E342 PolarHBondContact O-N 2.79Å; A339-Q343 WeakPolarHBondContact O-CB 3.33Å; A339-Q343 WeakPolarHBondContact O-CG 3.5Å; A339-Q343 PolarHBondContact O-N 2.84Å |
| 340 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 173.6 | -72.6 | 165.8 | 0 | 0 | 0 | 111.4 | F223 L336 Y337 T338 Q343 Q344 L352 L353 L356 M363 | F223-L340 HydrophobicContact CE1-CD2 4.03Å; F223-L340 HydrophobicContact CE1-CG 4.19Å; F223-L340 HydrophobicContact CZ-CD2 4.14Å; L336-L340 HydrophobicContact CD1-CD1 4.47Å; L336-L340 HydrophobicContact CD1-CG 4.47Å; L336-L340 HydrophobicContact CG-CD1 4.18Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.32Å; L336-L340 PolarHBondContact O-N 3.32Å; Y337-L340 PolarHBondContact O-N 2.81Å; T338-L340 VanDerWaalsContact C-N 3.34Å; T338-L340 PolarHBondContact O-N 2.95Å; L340-Q343 PolarHBondContact O-N 2.73Å; L340-Q344 WeakPolarHBondContact O-CA 3.4Å; L340-Q344 WeakPolarHBondContact O-CB 3.31Å; L340-Q344 PolarHBondContact O-N 3.28Å; L340-L352 HydrophobicContact CD2-CB 4.44Å; L340-L352 HydrophobicContact CD2-CD2 3.92Å; L340-L352 HydrophobicContact CD2-CG 4.1Å; L340-L353 HydrophobicContact CD1-CD1 4.21Å; L340-L353 HydrophobicContact CD2-CB 4.25Å; L340-L356 HydrophobicContact CD1-CD1 3.91Å; L340-M363 HydrophobicContact CD1-CE 4.12Å |
| 341 | C | 96.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 12% | 0.115 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 178.2 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | Y337 T338 Q343 Q344 N375 | Y337-C341 VanDerWaalsContact CZ-SG 3.56Å; Y337-C341 PolarHBondContact O-N 3.38Å; Y337-C341 PolarHBondContact O-SG 2.92Å; T338-C341 PolarHBondContact O-N 2.89Å; C341-Q343 VanDerWaalsContact C-N 3.32Å; C341-Q343 PolarHBondContact O-N 2.95Å; C341-Q344 PolarHBondContact O-N 3.18Å; C341-N375 HydrophobicContact CB-CB 4.04Å |
| 342 | E | 94.3 | Very high | 95.9 | Very high | 120 Ų | 120 | 29.5 Ų | 29.5 | 56% | 0.561 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -63.8 | -36.7 | -179.5 | -71.9 | 172.2 | 175.9 | 0 | 0 | 112.6 | Q226 T338 A339 | Q226-E342 PolarHBondContact NE2-OE2 3.46Å; T338-E342 HydrophobicContact CG2-CG 4.47Å; T338-E342 WeakPolarHBondContact CG2-OE1 3.44Å; T338-E342 WeakPolarHBondContact O-CG 3.46Å; T338-E342 PolarHBondContact O-N 3.23Å; A339-E342 PolarHBondContact O-N 2.79Å |
| 343 | Q | 93.5 | Very high | 96 | Very high | 58 Ų | 58 | 27.2 Ų | 27.2 | 27% | 0.271 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -97.4 | 2.9 | -174.9 | -61.7 | -60.6 | -37.8 | 0 | 0 | 113.6 | F223 A339 L340 C341 R345 S346 A349 | F223-Q343 HydrophobicContact CE2-CB 4.06Å; F223-Q343 HydrophobicContact CE2-CG 4.05Å; F223-Q343 HydrophobicContact CZ-CB 4.15Å; F223-Q343 HydrophobicContact CZ-CG 4.34Å; A339-Q343 WeakPolarHBondContact O-CB 3.33Å; A339-Q343 WeakPolarHBondContact O-CG 3.5Å; A339-Q343 PolarHBondContact O-N 2.84Å; L340-Q343 PolarHBondContact O-N 2.73Å; C341-Q343 VanDerWaalsContact C-N 3.32Å; C341-Q343 PolarHBondContact O-N 2.95Å; Q343-R345 PolarHBondContact O-N 3.43Å; Q343-S346 WeakPolarHBondContact O-CB 3.35Å; Q343-S346 PolarHBondContact O-N 3Å; Q343-A349 HydrophobicContact CB-CB 3.75Å; Q343-A349 WeakPolarHBondContact O-CB 3.39Å |
| 344 | Q | 92.9 | Very high | 96 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12.2 | -169.7 | -165.6 | 53.7 | 26.9 | 0 | 0 | 115.1 | L340 C341 S346 T350 L376 P379 I380 I383 | L340-Q344 WeakPolarHBondContact O-CA 3.4Å; L340-Q344 WeakPolarHBondContact O-CB 3.31Å; L340-Q344 PolarHBondContact O-N 3.28Å; C341-Q344 PolarHBondContact O-N 3.18Å; Q344-S346 VanDerWaalsContact C-N 3.3Å; Q344-T350 PolarHBondContact O-OG1 2.98Å; Q344-L376 HydrophobicContact CG-CD1 4.46Å; Q344-P379 HydrophobicContact CB-CB 3.88Å; Q344-P379 HydrophobicContact CB-CG 4.24Å; Q344-P379 HydrophobicContact CG-CB 3.97Å; Q344-I380 HydrophobicContact CG-CD1 4.4Å; Q344-I380 HydrophobicContact CG-CG1 3.82Å; Q344-I383 WeakPolarHBondContact O-CD1 3.48Å |
| 345 | R | 88.6 | Confident | 96 | Very high | 132 Ų | 132 | 24.2 Ų | 24.2 | 50% | 0.498 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.8 | 172.7 | -69.2 | 177.7 | 168.7 | -172.6 | -8.5 | 113.5 | Q343 P379 E382 | Q343-R345 PolarHBondContact O-N 3.43Å; R345-P379 HydrophobicContact CG-CB 4.45Å; R345-E382 IonicContact CZ-OE2 3.49Å; R345-E382 IonicContact NE-OE2 3.34Å; R345-E382 IonicContact NH2-OE1 2.81Å; R345-E382 IonicContact NH2-OE2 3.76Å; R345-E382 PolarHBondContact NH2-OE2 3.32Å |
| 346 | S | 91.6 | Very high | 96 | Very high | 27 Ų | 27 | 22 Ų | 22 | 19% | 0.189 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -83.9 | 140.2 | 177.3 | 142.4 | 0 | 0 | 0 | 0 | 111.1 | Q343 Q344 Q348 A349 T350 | Q343-S346 WeakPolarHBondContact O-CB 3.35Å; Q343-S346 PolarHBondContact O-N 3Å; Q344-S346 VanDerWaalsContact C-N 3.3Å; S346-Q348 VanDerWaalsContact C-N 3.33Å; S346-Q348 PolarHBondContact O-N 3.08Å; S346-Q348 PolarHBondContact OG-N 3.45Å; S346-Q348 PolarHBondContact OG-OE1 2.82Å; S346-A349 PolarHBondContact O-N 2.68Å; S346-A349 PolarHBondContact OG-N 2.97Å; S346-T350 WeakPolarHBondContact O-CB 3.21Å; S346-T350 PolarHBondContact O-N 2.88Å; S346-T350 PolarHBondContact O-OG1 3.25Å |
| 347 | D | 94 | Very high | 96 | Very high | 32 Ų | 32 | 22 Ų | 22 | 17% | 0.171 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 173.8 | -66 | 46.6 | 0 | 0 | 0 | 111.9 | A349 T350 L351 H394 L646 | D347-A349 PolarHBondContact O-N 2.8Å; D347-T350 WeakPolarHBondContact O-CB 3.37Å; D347-T350 PolarHBondContact O-N 3.44Å; D347-L351 PolarHBondContact O-N 3.32Å; D347-H394 IonicContact OD1-CE1 2.87Å; D347-H394 PolarHBondContact OD1-CE1 3.43Å; D347-H394 IonicContact OD1-CG 2.69Å; D347-H394 IonicContact OD1-ND1 2.82Å; D347-H394 PolarHBondContact OD1-ND1 2.98Å; D347-H394 WeakPolarHBondContact OD2-CB 3.34Å; D347-H394 IonicContact OD2-CG 3.07Å; D347-L646 HydrophobicContact CB-CD1 4.39Å; D347-L646 HydrophobicContact CB-CD2 3.45Å; D347-L646 VanDerWaalsContact CB-CD2 3.45Å |
| 348 | Q | 94.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | -179.7 | -58.1 | 78.1 | 6.9 | 0 | 0 | 111.4 | L286 L287 L290 S346 T350 L351 L352 L646 S650 | L286-Q348 HydrophobicContact CD2-CB 3.45Å; L286-Q348 VanDerWaalsContact CD2-CB 3.45Å; L286-Q348 HydrophobicContact CG-CB 3.94Å; L287-Q348 HydrophobicContact CD2-CG 3.51Å; L287-Q348 HydrophobicContact CG-CG 4.25Å; L290-Q348 HydrophobicContact CD1-CB 4.02Å; S346-Q348 VanDerWaalsContact C-N 3.33Å; S346-Q348 PolarHBondContact O-N 3.08Å; S346-Q348 PolarHBondContact OG-N 3.45Å; S346-Q348 PolarHBondContact OG-OE1 2.82Å; Q348-T350 VanDerWaalsContact C-N 3.33Å; Q348-L351 PolarHBondContact O-N 3.05Å; Q348-L352 PolarHBondContact O-N 3.47Å; Q348-L646 HydrophobicContact CG-CB 4.22Å; Q348-L646 HydrophobicContact CG-CD1 4.13Å; Q348-S650 PolarHBondContact NE2-OG 2.87Å |
| 349 | A | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F223 Q343 S346 D347 L352 L353 | F223-A349 HydrophobicContact CE2-CB 4.4Å; F223-A349 HydrophobicContact CZ-CB 4.41Å; Q343-A349 HydrophobicContact CB-CB 3.75Å; Q343-A349 WeakPolarHBondContact O-CB 3.39Å; S346-A349 PolarHBondContact O-N 2.68Å; S346-A349 PolarHBondContact OG-N 2.97Å; D347-A349 PolarHBondContact O-N 2.8Å; A349-L352 PolarHBondContact O-N 3.41Å; A349-L353 PolarHBondContact O-N 3.24Å |
| 350 | T | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 174.7 | -56.1 | 0 | 0 | 0 | 0 | 111 | Q344 S346 D347 Q348 L353 Y354 H394 M397 I401 | Q344-T350 PolarHBondContact O-OG1 2.98Å; S346-T350 WeakPolarHBondContact O-CB 3.21Å; S346-T350 PolarHBondContact O-N 2.88Å; S346-T350 PolarHBondContact O-OG1 3.25Å; D347-T350 WeakPolarHBondContact O-CB 3.37Å; D347-T350 PolarHBondContact O-N 3.44Å; Q348-T350 VanDerWaalsContact C-N 3.33Å; T350-L353 WeakPolarHBondContact O-CB 3.32Å; T350-L353 PolarHBondContact O-N 3.37Å; T350-Y354 PolarHBondContact O-N 2.98Å; T350-H394 PolarHBondContact OG1-NE2 2.9Å; T350-M397 HydrophobicContact CG2-CB 3.86Å; T350-I401 HydrophobicContact CG2-CD1 3.58Å; T350-I401 WeakPolarHBondContact O-CD1 3.4Å |
| 351 | L | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.4 | -35.9 | 177.6 | -176.3 | 59.3 | 0 | 0 | 0 | 112.5 | L290 D347 Q348 Y354 T355 M397 F639 Y642 V643 L646 | L290-L351 HydrophobicContact CD1-CD2 4.28Å; L290-L351 HydrophobicContact CD2-CB 4.39Å; L290-L351 HydrophobicContact CD2-CD2 4.09Å; L290-L351 HydrophobicContact CD2-CG 3.97Å; D347-L351 PolarHBondContact O-N 3.32Å; Q348-L351 PolarHBondContact O-N 3.05Å; L351-Y354 HydrophobicContact CD1-CD1 3.93Å; L351-Y354 WeakPolarHBondContact O-CB 3.48Å; L351-Y354 PolarHBondContact O-N 2.98Å; L351-T355 PolarHBondContact O-N 2.97Å; L351-T355 PolarHBondContact O-OG1 2.94Å; L351-M397 HydrophobicContact CD1-CG 4.31Å; L351-M397 HydrophobicContact CD1-SD 3.85Å; L351-F639 HydrophobicContact CD1-CD1 3.79Å; L351-F639 HydrophobicContact CD1-CE1 3.67Å; L351-Y642 HydrophobicContact CB-CE1 4.35Å; L351-Y642 HydrophobicContact CD1-CD1 4.29Å; L351-Y642 HydrophobicContact CD1-CE1 4.11Å; L351-Y642 HydrophobicContact CD2-CD1 3.93Å; L351-Y642 HydrophobicContact CD2-CE1 3.92Å; L351-Y642 HydrophobicContact CG-CE1 4.35Å; L351-V643 HydrophobicContact CD2-CG2 3.55Å; L351-L646 HydrophobicContact CD2-CD1 4.05Å |
| 352 | L | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 171.4 | 177.7 | 64.6 | 0 | 0 | 0 | 111.3 | L220 F223 L286 L289 L340 Q348 A349 Y354 T355 L356 | L220-L352 HydrophobicContact CD2-CD1 4.36Å; L220-L352 HydrophobicContact CD2-CD2 4.29Å; F223-L352 HydrophobicContact CD1-CD2 3.93Å; F223-L352 HydrophobicContact CE1-CD2 3.82Å; F223-L352 HydrophobicContact CG-CD2 4.44Å; F223-L352 HydrophobicContact CZ-CD2 4.23Å; L286-L352 HydrophobicContact CD1-CB 3.95Å; L286-L352 HydrophobicContact CD1-CD2 3.65Å; L286-L352 HydrophobicContact CD1-CG 4.23Å; L289-L352 HydrophobicContact CD2-CD1 4.21Å; L340-L352 HydrophobicContact CD2-CB 4.44Å; L340-L352 HydrophobicContact CD2-CD2 3.92Å; L340-L352 HydrophobicContact CD2-CG 4.1Å; Q348-L352 PolarHBondContact O-N 3.47Å; A349-L352 PolarHBondContact O-N 3.41Å; L352-Y354 VanDerWaalsContact C-N 3.33Å; L352-Y354 PolarHBondContact O-N 3.3Å; L352-T355 WeakPolarHBondContact O-CB 3.39Å; L352-T355 PolarHBondContact O-N 3.17Å; L352-L356 HydrophobicContact CD1-CD1 4.09Å; L352-L356 HydrophobicContact CD1-CG 4.04Å; L352-L356 HydrophobicContact CG-CD1 3.97Å; L352-L356 HydrophobicContact CG-CG 4.31Å; L352-L356 VanDerWaalsContact O-CG 3.3Å; L352-L356 WeakPolarHBondContact O-CG 3.3Å; L352-L356 PolarHBondContact O-N 3.29Å |
| 353 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 176.4 | 178.6 | 61.5 | 0 | 0 | 0 | 111.3 | L340 A349 T350 L356 L357 I367 L376 I380 I401 | L340-L353 HydrophobicContact CD1-CD1 4.21Å; L340-L353 HydrophobicContact CD2-CB 4.25Å; A349-L353 PolarHBondContact O-N 3.24Å; T350-L353 WeakPolarHBondContact O-CB 3.32Å; T350-L353 PolarHBondContact O-N 3.37Å; L353-L356 PolarHBondContact O-N 3.24Å; L353-L357 HydrophobicContact CD1-CD1 3.87Å; L353-L357 HydrophobicContact CD1-CG 3.97Å; L353-L357 HydrophobicContact CG-CD1 3.85Å; L353-L357 HydrophobicContact CG-CG 4.36Å; L353-L357 WeakPolarHBondContact O-CB 3.39Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.17Å; L353-I367 HydrophobicContact CD1-CD1 3.92Å; L353-L376 HydrophobicContact CD1-CD1 4.3Å; L353-L376 HydrophobicContact CD1-CD2 4.3Å; L353-L376 HydrophobicContact CD2-CD1 3.63Å; L353-L376 HydrophobicContact CD2-CD2 4.2Å; L353-L376 HydrophobicContact CD2-CG 4.07Å; L353-I380 HydrophobicContact CD2-CD1 4Å; L353-I401 HydrophobicContact CB-CD1 4.24Å; L353-I401 HydrophobicContact CD2-CD1 4.09Å; L353-I401 HydrophobicContact CD2-CG2 3.91Å; L353-I401 HydrophobicContact CG-CD1 4.18Å; L353-I401 HydrophobicContact CG-CG2 4.37Å |
| 354 | Y | 98 | Very high | 95.8 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -53.7 | -53.9 | 172.3 | 162.7 | -99.7 | 0 | 0 | 0 | 111.3 | T350 L351 L352 L356 L357 H358 M397 I400 I404 Y629 E631 F639 | T350-Y354 PolarHBondContact O-N 2.98Å; L351-Y354 HydrophobicContact CD1-CD1 3.93Å; L351-Y354 WeakPolarHBondContact O-CB 3.48Å; L351-Y354 PolarHBondContact O-N 2.98Å; L352-Y354 VanDerWaalsContact C-N 3.33Å; L352-Y354 PolarHBondContact O-N 3.3Å; Y354-L356 VanDerWaalsContact C-N 3.28Å; Y354-L356 PolarHBondContact O-N 3.14Å; Y354-L357 PolarHBondContact O-N 3.05Å; Y354-H358 HydrophobicContact CE2-CB 4.33Å; Y354-H358 AromaticContact CZ-CD2 3.83Å; Y354-H358 WeakPolarHBondContact O-CB 3.49Å; Y354-H358 PolarHBondContact O-N 3.13Å; Y354-H358 PolarHBondContact OH-CD2 3.03Å; Y354-M397 HydrophobicContact CD1-SD 4.36Å; Y354-M397 HydrophobicContact CG-SD 4.2Å; Y354-I400 HydrophobicContact CD2-CG2 3.69Å; Y354-I400 HydrophobicContact CE2-CG2 3.63Å; Y354-I404 HydrophobicContact CD2-CD1 4.22Å; Y354-I404 HydrophobicContact CE2-CD1 4.33Å; Y354-Y629 HydrophobicContact CE2-CD1 4.49Å; Y354-Y629 AromaticContact CE2-CE1 3.78Å; Y354-Y629 HydrophobicContact CE2-CE1 3.78Å; Y354-Y629 WeakPolarHBondContact OH-CE1 3.11Å; Y354-Y629 PolarHBondContact OH-OH 3.46Å; Y354-E631 PolarHBondContact OH-OE2 3.38Å; Y354-F639 AromaticContact CD1-CE1 3.91Å; Y354-F639 HydrophobicContact CD1-CE1 3.91Å; Y354-F639 HydrophobicContact CD1-CZ 4.07Å; Y354-F639 AromaticContact CE1-CE1 3.45Å; Y354-F639 HydrophobicContact CE1-CE1 3.45Å; Y354-F639 VanDerWaalsContact CE1-CE1 3.45Å; Y354-F639 HydrophobicContact CE1-CE2 4.04Å; Y354-F639 AromaticContact CE1-CZ 3.18Å; Y354-F639 HydrophobicContact CE1-CZ 3.18Å; Y354-F639 HydrophobicContact CE2-CZ 4.5Å; Y354-F639 AromaticContact CZ-CZ 3.43Å; Y354-F639 VanDerWaalsContact CZ-CZ 3.43Å; Y354-F639 WeakPolarHBondContact OH-CZ 3.26Å |
| 355 | T | 97.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.5 | -44.6 | -177.3 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | I309 L351 L352 Q359 | I309-T355 HydrophobicContact CG2-CG2 3.98Å; L351-T355 PolarHBondContact O-N 2.97Å; L351-T355 PolarHBondContact O-OG1 2.94Å; L352-T355 WeakPolarHBondContact O-CB 3.39Å; L352-T355 PolarHBondContact O-N 3.17Å; T355-Q359 VanDerWaalsContact O-CB 3.27Å; T355-Q359 WeakPolarHBondContact O-CB 3.31Å; T355-Q359 WeakPolarHBondContact O-CG 3.09Å; T355-Q359 PolarHBondContact O-N 3.44Å |
| 356 | L | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70 | -42 | -179.5 | -67.7 | 178.3 | 0 | 0 | 0 | 113.1 | I309 F312 L336 L340 L352 L353 Y354 N360 M363 | I309-L356 HydrophobicContact CG2-CD2 4.05Å; F312-L356 HydrophobicContact CE1-CD2 3.64Å; F312-L356 HydrophobicContact CZ-CD2 3.53Å; L336-L356 HydrophobicContact CD2-CD1 3.93Å; L336-L356 HydrophobicContact CG-CD1 4.39Å; L340-L356 HydrophobicContact CD1-CD1 3.91Å; L352-L356 HydrophobicContact CD1-CD1 4.09Å; L352-L356 HydrophobicContact CD1-CG 4.04Å; L352-L356 HydrophobicContact CG-CD1 3.97Å; L352-L356 HydrophobicContact CG-CG 4.31Å; L352-L356 VanDerWaalsContact O-CG 3.3Å; L352-L356 WeakPolarHBondContact O-CG 3.3Å; L352-L356 PolarHBondContact O-N 3.29Å; L353-L356 PolarHBondContact O-N 3.24Å; Y354-L356 VanDerWaalsContact C-N 3.28Å; Y354-L356 PolarHBondContact O-N 3.14Å; L356-N360 HydrophobicContact CD2-CB 4.48Å; L356-N360 PolarHBondContact O-N 2.79Å; L356-M363 HydrophobicContact CB-CG 4.25Å; L356-M363 HydrophobicContact CD1-CG 4.47Å |
| 357 | L | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 177.3 | -75.7 | 173.8 | 0 | 0 | 0 | 111.7 | L353 Y354 R364 I367 I401 I404 L405 | L353-L357 HydrophobicContact CD1-CD1 3.87Å; L353-L357 HydrophobicContact CD1-CG 3.97Å; L353-L357 HydrophobicContact CG-CD1 3.85Å; L353-L357 HydrophobicContact CG-CG 4.36Å; L353-L357 WeakPolarHBondContact O-CB 3.39Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.17Å; Y354-L357 PolarHBondContact O-N 3.05Å; L357-R364 HydrophobicContact CD2-CB 4.36Å; L357-R364 HydrophobicContact CD2-CG 4.16Å; L357-R364 VanDerWaalsContact O-CD 3.3Å; L357-R364 WeakPolarHBondContact O-CD 3.37Å; L357-I367 HydrophobicContact CD2-CB 4.28Å; L357-I367 HydrophobicContact CD2-CD1 3.7Å; L357-I367 HydrophobicContact CD2-CG2 4.21Å; L357-I367 HydrophobicContact CG-CD1 4.26Å; L357-I401 HydrophobicContact CD1-CG1 4.43Å; L357-I401 HydrophobicContact CD1-CG2 3.74Å; L357-I404 HydrophobicContact CB-CG2 4.18Å; L357-L405 HydrophobicContact CD1-CD2 4.25Å; L357-L405 HydrophobicContact CD1-CG 4.43Å; L357-L405 HydrophobicContact CD2-CD2 4.26Å |
| 358 | H | 95.6 | Very high | 96.6 | Very high | 60 Ų | 60 | 23.1 Ų | 23.1 | 28% | 0.278 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -74.5 | -51.2 | 179.6 | -174.2 | -27.1 | 0 | 0 | 0 | 111.8 | Y354 Y629 E631 | Y354-H358 HydrophobicContact CE2-CB 4.33Å; Y354-H358 AromaticContact CZ-CD2 3.83Å; Y354-H358 WeakPolarHBondContact O-CB 3.49Å; Y354-H358 PolarHBondContact O-N 3.13Å; Y354-H358 PolarHBondContact OH-CD2 3.03Å; H358-Y629 AromaticContact CD2-CE1 3.6Å; H358-Y629 AromaticContact NE2-CE1 3.89Å; H358-E631 IonicContact CD2-OE2 3.01Å |
| 359 | Q | 94.3 | Very high | 96.6 | Very high | 32 Ų | 32 | 26.5 Ų | 26.5 | 15% | 0.15 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -95.9 | -35.9 | -164.3 | -58.7 | -178.9 | 0.7 | 0 | 0 | 112.7 | T310 T355 A361 | T310-Q359 WeakPolarHBondContact CG2-O 3.49Å; T355-Q359 VanDerWaalsContact O-CB 3.27Å; T355-Q359 WeakPolarHBondContact O-CB 3.31Å; T355-Q359 WeakPolarHBondContact O-CG 3.09Å; T355-Q359 PolarHBondContact O-N 3.44Å; Q359-A361 PolarHBondContact O-N 3.21Å |
| 360 | N | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -98.2 | 96.2 | -177.4 | -168 | -51.7 | 0 | 0 | 0 | 111.5 | I309 T310 F312 L356 N362 M363 R364 | I309-N360 PolarHBondContact O-ND2 3.05Å; T310-N360 PolarHBondContact O-ND2 3.04Å; F312-N360 WeakPolarHBondContact CE1-ND2 3.2Å; F312-N360 PolarHBondContact O-ND2 2.87Å; F312-N360 VanDerWaalsContact O-ND2 3.08Å; L356-N360 HydrophobicContact CD2-CB 4.48Å; L356-N360 PolarHBondContact O-N 2.79Å; N360-N362 VanDerWaalsContact C-N 3.26Å; N360-N362 PolarHBondContact O-N 3.17Å; N360-N362 WeakPolarHBondContact OD1-CB 3.27Å; N360-N362 PolarHBondContact OD1-N 2.89Å; N360-N362 VanDerWaalsContact OD1-N 3.1Å; N360-M363 HydrophobicContact CB-CB 4.05Å; N360-M363 PolarHBondContact O-N 3.28Å; N360-M363 PolarHBondContact OD1-N 3.31Å; N360-R364 PolarHBondContact O-N 3.47Å | ||
| 361 | A | 94.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 41% | 0.413 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58 | -35.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q359 R364 T365 | Q359-A361 PolarHBondContact O-N 3.21Å; A361-R364 PolarHBondContact O-N 2.69Å; A361-T365 PolarHBondContact O-N 3.01Å; A361-T365 PolarHBondContact O-OG1 3.22Å |
| 362 | N | 94.5 | Very high | 95.9 | Very high | 64 Ų | 64 | 37.2 Ų | 37.2 | 34% | 0.342 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.8 | -45.7 | 179.4 | -58.3 | -49.1 | 0 | 0 | 0 | 110.9 | F333 N360 T365 Y366 | F333-N362 HydrophobicContact CE2-CB 3.9Å; F333-N362 HydrophobicContact CZ-CB 3.89Å; N360-N362 VanDerWaalsContact C-N 3.26Å; N360-N362 PolarHBondContact O-N 3.17Å; N360-N362 WeakPolarHBondContact OD1-CB 3.27Å; N360-N362 PolarHBondContact OD1-N 2.89Å; N360-N362 VanDerWaalsContact OD1-N 3.1Å; N362-T365 PolarHBondContact O-N 3.2Å; N362-Y366 WeakPolarHBondContact O-CB 3.24Å; N362-Y366 PolarHBondContact O-N 3Å |
| 363 | M | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 178 | -171.1 | 61.3 | -171.1 | 0 | 0 | 111.1 | F333 L336 L340 L356 N360 T365 Y366 I367 | F333-M363 HydrophobicContact CB-SD 4.23Å; F333-M363 HydrophobicContact CD1-SD 4.15Å; F333-M363 HydrophobicContact CD2-SD 4.01Å; F333-M363 HydrophobicContact CE1-SD 4.48Å; F333-M363 HydrophobicContact CE2-SD 4.35Å; F333-M363 HydrophobicContact CG-SD 3.88Å; F333-M363 HydrophobicContact CZ-CB 4.48Å; L336-M363 HydrophobicContact CB-CE 4.41Å; L336-M363 HydrophobicContact CD2-CE 4.21Å; L336-M363 HydrophobicContact CD2-SD 4.26Å; L336-M363 HydrophobicContact CG-CE 4.16Å; L340-M363 HydrophobicContact CD1-CE 4.12Å; L356-M363 HydrophobicContact CB-CG 4.25Å; L356-M363 HydrophobicContact CD1-CG 4.47Å; N360-M363 HydrophobicContact CB-CB 4.05Å; N360-M363 PolarHBondContact O-N 3.28Å; N360-M363 PolarHBondContact OD1-N 3.31Å; M363-T365 PolarHBondContact O-N 3.43Å; M363-Y366 HydrophobicContact CE-CD1 4.29Å; M363-Y366 WeakPolarHBondContact O-CB 3.31Å; M363-Y366 PolarHBondContact O-N 3.43Å; M363-Y366 HydrophobicContact SD-CD1 4.25Å; M363-I367 HydrophobicContact CE-CD1 3.83Å; M363-I367 HydrophobicContact CE-CG1 3.78Å; M363-I367 HydrophobicContact CG-CD1 3.97Å; M363-I367 HydrophobicContact CG-CG1 4.4Å; M363-I367 WeakPolarHBondContact O-CG1 3.33Å; M363-I367 PolarHBondContact O-N 3.47Å |
| 364 | R | 96.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 39.5 Ų | 39.5 | 34% | 0.34 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.5 | -50.6 | 173.9 | 180 | 178.3 | 58.4 | -162 | 1.8 | 111.8 | L357 N360 A361 Y366 I367 L368 | L357-R364 HydrophobicContact CD2-CB 4.36Å; L357-R364 HydrophobicContact CD2-CG 4.16Å; L357-R364 VanDerWaalsContact O-CD 3.3Å; L357-R364 WeakPolarHBondContact O-CD 3.37Å; N360-R364 PolarHBondContact O-N 3.47Å; A361-R364 PolarHBondContact O-N 2.69Å; R364-Y366 VanDerWaalsContact C-N 3.29Å; R364-Y366 PolarHBondContact O-N 3.01Å; R364-I367 PolarHBondContact O-N 2.99Å; R364-L368 HydrophobicContact CG-CD1 3.91Å; R364-L368 HydrophobicContact CG-CG 4.47Å; R364-L368 WeakPolarHBondContact O-CG 3.47Å; R364-L368 PolarHBondContact O-N 3.19Å |
| 365 | T | 95.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 43.3 Ų | 43.3 | 58% | 0.577 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.2 | -39.4 | 177.8 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | A361 N362 M363 S369 | A361-T365 PolarHBondContact O-N 3.01Å; A361-T365 PolarHBondContact O-OG1 3.22Å; N362-T365 PolarHBondContact O-N 3.2Å; M363-T365 PolarHBondContact O-N 3.43Å; T365-S369 WeakPolarHBondContact O-CB 3.37Å; T365-S369 PolarHBondContact O-N 3.06Å; T365-S369 VanDerWaalsContact O-N 3.15Å |
| 366 | Y | 96.4 | Very high | 95.2 | Very high | 37 Ų | 37 | 43 Ų | 43 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 175.4 | 179.8 | -93 | 0 | 0 | 0 | 112.1 | F333 N334 Y337 N362 M363 R364 L368 S369 R370 | F333-Y366 HydrophobicContact CB-CD1 3.79Å; F333-Y366 HydrophobicContact CB-CD2 3.94Å; F333-Y366 HydrophobicContact CB-CE1 3.79Å; F333-Y366 HydrophobicContact CB-CE2 3.93Å; F333-Y366 HydrophobicContact CB-CG 3.88Å; F333-Y366 HydrophobicContact CD2-CD1 4.2Å; F333-Y366 AromaticContact CD2-CD2 3.87Å; F333-Y366 HydrophobicContact CD2-CD2 3.87Å; F333-Y366 AromaticContact CD2-CG 3.61Å; F333-Y366 HydrophobicContact CD2-CG 3.61Å; F333-Y366 HydrophobicContact CG-CD1 4.45Å; F333-Y366 HydrophobicContact CG-CD2 4.44Å; F333-Y366 HydrophobicContact CG-CG 4.23Å; N334-Y366 VanDerWaalsContact CA-OH 3.27Å; N334-Y366 WeakPolarHBondContact CA-OH 3.49Å; N334-Y366 WeakPolarHBondContact CB-OH 3.44Å; N334-Y366 PolarHBondContact N-OH 3.48Å; N334-Y366 PolarHBondContact OD1-OH 3.35Å; Y337-Y366 HydrophobicContact CG-CE1 4.37Å; N362-Y366 WeakPolarHBondContact O-CB 3.24Å; N362-Y366 PolarHBondContact O-N 3Å; M363-Y366 HydrophobicContact CE-CD1 4.29Å; M363-Y366 WeakPolarHBondContact O-CB 3.31Å; M363-Y366 PolarHBondContact O-N 3.43Å; M363-Y366 HydrophobicContact SD-CD1 4.25Å; R364-Y366 VanDerWaalsContact C-N 3.29Å; R364-Y366 PolarHBondContact O-N 3.01Å; Y366-L368 PolarHBondContact O-N 3.19Å; Y366-S369 PolarHBondContact O-N 3.23Å; Y366-S369 VanDerWaalsContact O-N 3.16Å; Y366-S369 PolarHBondContact O-OG 2.92Å; Y366-R370 HydrophobicContact CE1-CG 4.44Å; Y366-R370 PolarHBondContact OH-NH1 3.47Å |
| 367 | I | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 178.2 | -68.3 | 168.7 | 0 | 0 | 0 | 110.4 | Y337 L353 L357 M363 R364 S369 R370 M373 L376 L405 | Y337-I367 HydrophobicContact CD2-CG1 4.09Å; Y337-I367 HydrophobicContact CE2-CG2 4.39Å; L353-I367 HydrophobicContact CD1-CD1 3.92Å; L357-I367 HydrophobicContact CD2-CB 4.28Å; L357-I367 HydrophobicContact CD2-CD1 3.7Å; L357-I367 HydrophobicContact CD2-CG2 4.21Å; L357-I367 HydrophobicContact CG-CD1 4.26Å; M363-I367 HydrophobicContact CE-CD1 3.83Å; M363-I367 HydrophobicContact CE-CG1 3.78Å; M363-I367 HydrophobicContact CG-CD1 3.97Å; M363-I367 HydrophobicContact CG-CG1 4.4Å; M363-I367 WeakPolarHBondContact O-CG1 3.33Å; M363-I367 PolarHBondContact O-N 3.47Å; R364-I367 PolarHBondContact O-N 2.99Å; I367-S369 PolarHBondContact O-N 2.9Å; I367-S369 VanDerWaalsContact O-N 3.13Å; I367-R370 VanDerWaalsContact O-CB 3.31Å; I367-R370 WeakPolarHBondContact O-CB 3.44Å; I367-R370 WeakPolarHBondContact O-CG 3.31Å; I367-R370 PolarHBondContact O-N 3.49Å; I367-M373 HydrophobicContact CG2-CE 3.95Å; I367-M373 HydrophobicContact CG2-SD 4.12Å; I367-L376 HydrophobicContact CG2-CD2 3.81Å; I367-L405 HydrophobicContact CG2-CD2 4.41Å |
| 368 | L | 95.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.194 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -20.4 | -179.6 | -69.3 | 172.2 | 0 | 0 | 0 | 113.6 | R364 Y366 L405 D408 F411 | R364-L368 HydrophobicContact CG-CD1 3.91Å; R364-L368 HydrophobicContact CG-CG 4.47Å; R364-L368 WeakPolarHBondContact O-CG 3.47Å; R364-L368 PolarHBondContact O-N 3.19Å; Y366-L368 PolarHBondContact O-N 3.19Å; L368-L405 HydrophobicContact CD2-CD2 3.89Å; L368-D408 HydrophobicContact CD1-CB 4Å; L368-D408 HydrophobicContact CD2-CB 4.02Å; L368-F411 HydrophobicContact CD2-CB 4.05Å; L368-F411 HydrophobicContact CD2-CG 4.45Å |
| 369 | S | 94 | Very high | 95.2 | Very high | 80 Ų | 80 | 43.1 Ų | 43.1 | 56% | 0.559 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6.9 | 176.6 | 75.9 | 0 | 0 | 0 | 0 | 114.5 | T365 Y366 I367 | T365-S369 WeakPolarHBondContact O-CB 3.37Å; T365-S369 PolarHBondContact O-N 3.06Å; T365-S369 VanDerWaalsContact O-N 3.15Å; Y366-S369 PolarHBondContact O-N 3.23Å; Y366-S369 VanDerWaalsContact O-N 3.16Å; Y366-S369 PolarHBondContact O-OG 2.92Å; I367-S369 PolarHBondContact O-N 2.9Å; I367-S369 VanDerWaalsContact O-N 3.13Å |
| 370 | R | 93.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | trans | -73.9 | 146.7 | -177.6 | -66 | -58.3 | -59.2 | -158.3 | -8.7 | 112 | N334 Y337 Y366 I367 D372 M373 | N334-R370 PolarHBondContact OD1-NH1 2.92Å; Y337-R370 HydrophobicContact CD1-CG 4.44Å; Y337-R370 HydrophobicContact CD2-CG 4.33Å; Y337-R370 HydrophobicContact CE1-CG 4.11Å; Y337-R370 HydrophobicContact CE2-CB 4.48Å; Y337-R370 HydrophobicContact CE2-CG 3.97Å; Y366-R370 HydrophobicContact CE1-CG 4.44Å; Y366-R370 PolarHBondContact OH-NH1 3.47Å; I367-R370 VanDerWaalsContact O-CB 3.31Å; I367-R370 WeakPolarHBondContact O-CB 3.44Å; I367-R370 WeakPolarHBondContact O-CG 3.31Å; I367-R370 PolarHBondContact O-N 3.49Å; R370-D372 WeakPolarHBondContact CB-OD1 3.33Å; R370-D372 IonicContact CZ-OD1 3.44Å; R370-D372 IonicContact CZ-OD2 3.29Å; R370-D372 IonicContact NE-OD1 3.33Å; R370-D372 PolarHBondContact NE-OD1 3.37Å; R370-D372 IonicContact NE-OD2 3.84Å; R370-D372 VanDerWaalsContact NH2-CG 3.3Å; R370-D372 IonicContact NH2-OD1 2.65Å; R370-D372 PolarHBondContact NH2-OD1 3.25Å; R370-D372 IonicContact NH2-OD2 2.71Å; R370-D372 PolarHBondContact NH2-OD2 2.89Å; R370-M373 HydrophobicContact CB-CG 4.21Å; R370-M373 HydrophobicContact CB-SD 3.85Å; R370-M373 WeakPolarHBondContact O-CG 3.49Å | ||
| 371 | T | 90.6 | Very high | 95.4 | Very high | 127 Ų | 127 | 41.6 Ų | 41.6 | 78% | 0.779 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -95.9 | -21.3 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | M373 | T371-M373 VanDerWaalsContact C-N 3.31Å; T371-M373 PolarHBondContact O-N 2.82Å |
| 372 | D | 93.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | trans | -96.4 | 43.1 | -178.7 | 57.9 | -29.9 | 0 | 0 | 0 | 111.7 | Y337 R370 D374 N375 | Y337-D372 PolarHBondContact OH-O 3.44Å; R370-D372 WeakPolarHBondContact CB-OD1 3.33Å; R370-D372 IonicContact CZ-OD1 3.44Å; R370-D372 IonicContact CZ-OD2 3.29Å; R370-D372 IonicContact NE-OD1 3.33Å; R370-D372 PolarHBondContact NE-OD1 3.37Å; R370-D372 IonicContact NE-OD2 3.84Å; R370-D372 VanDerWaalsContact NH2-CG 3.3Å; R370-D372 IonicContact NH2-OD1 2.65Å; R370-D372 PolarHBondContact NH2-OD1 3.25Å; R370-D372 IonicContact NH2-OD2 2.71Å; R370-D372 PolarHBondContact NH2-OD2 2.89Å; D372-D374 VanDerWaalsContact C-OD1 3.29Å; D372-D374 PolarHBondContact O-N 3.38Å; D372-N375 PolarHBondContact O-N 3.09Å | ||
| 373 | M | 91.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.8 | -175.9 | -72.4 | -66.6 | -75.3 | 0 | 0 | 113.2 | I367 R370 T371 N375 L376 V377 L405 F411 | I367-M373 HydrophobicContact CG2-CE 3.95Å; I367-M373 HydrophobicContact CG2-SD 4.12Å; R370-M373 HydrophobicContact CB-CG 4.21Å; R370-M373 HydrophobicContact CB-SD 3.85Å; R370-M373 WeakPolarHBondContact O-CG 3.49Å; T371-M373 VanDerWaalsContact C-N 3.31Å; T371-M373 PolarHBondContact O-N 2.82Å; M373-N375 VanDerWaalsContact C-N 3.27Å; M373-N375 PolarHBondContact O-N 2.89Å; M373-L376 HydrophobicContact CE-CD2 4.36Å; M373-L376 PolarHBondContact O-N 3.42Å; M373-L376 VanDerWaalsContact O-N 3.13Å; M373-V377 WeakPolarHBondContact O-CB 3.4Å; M373-V377 WeakPolarHBondContact O-CG2 3.39Å; M373-V377 PolarHBondContact O-N 2.69Å; M373-L405 HydrophobicContact CE-CD2 4.07Å; M373-F411 HydrophobicContact CE-CD2 3.74Å; M373-F411 HydrophobicContact CE-CE2 3.63Å |
| 374 | D | 94.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 38 Ų | 38 | 25% | 0.246 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -36.3 | 173.3 | 53.9 | -43 | 0 | 0 | 0 | 112.5 | D372 L376 L378 V418 L420 L436 | D372-D374 VanDerWaalsContact C-OD1 3.29Å; D372-D374 PolarHBondContact O-N 3.38Å; D374-L376 PolarHBondContact O-N 3.07Å; D374-L378 WeakPolarHBondContact O-CB 3.1Å; D374-L378 PolarHBondContact O-N 3.23Å; D374-V418 HydrophobicContact CB-CG1 3.91Å; D374-L420 HydrophobicContact CB-CD2 3.98Å; D374-L436 HydrophobicContact CB-CD2 4.15Å |
| 375 | N | 95.6 | Very high | 95.4 | Very high | 83 Ų | 83 | 34 Ų | 34 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.1 | -28.5 | 175.6 | -67.3 | -39.5 | 0 | 0 | 0 | 112.8 | C341 D372 M373 P379 | C341-N375 HydrophobicContact CB-CB 4.04Å; D372-N375 PolarHBondContact O-N 3.09Å; M373-N375 VanDerWaalsContact C-N 3.27Å; M373-N375 PolarHBondContact O-N 2.89Å; N375-P379 WeakPolarHBondContact O-CD 3.01Å; N375-P379 WeakPolarHBondContact O-CG 3.19Å |
| 376 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -93.4 | -47.7 | 179.3 | -170.2 | 68.5 | 0 | 0 | 0 | 112.2 | Y337 Q344 L353 I367 M373 D374 P379 I380 | Y337-L376 HydrophobicContact CE2-CD2 4.24Å; Q344-L376 HydrophobicContact CG-CD1 4.46Å; L353-L376 HydrophobicContact CD1-CD1 4.3Å; L353-L376 HydrophobicContact CD1-CD2 4.3Å; L353-L376 HydrophobicContact CD2-CD1 3.63Å; L353-L376 HydrophobicContact CD2-CD2 4.2Å; L353-L376 HydrophobicContact CD2-CG 4.07Å; I367-L376 HydrophobicContact CG2-CD2 3.81Å; M373-L376 HydrophobicContact CE-CD2 4.36Å; M373-L376 PolarHBondContact O-N 3.42Å; M373-L376 VanDerWaalsContact O-N 3.13Å; D374-L376 PolarHBondContact O-N 3.07Å; L376-P379 WeakPolarHBondContact O-CD 3.39Å; L376-I380 HydrophobicContact CG-CD1 4.39Å; L376-I380 WeakPolarHBondContact O-CD1 3.37Å; L376-I380 WeakPolarHBondContact O-CG1 3.5Å |
| 377 | V | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76 | -36.3 | -172.5 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | M373 I380 L381 L402 L405 F411 L436 | M373-V377 WeakPolarHBondContact O-CB 3.4Å; M373-V377 WeakPolarHBondContact O-CG2 3.39Å; M373-V377 PolarHBondContact O-N 2.69Å; V377-I380 WeakPolarHBondContact O-CB 3.44Å; V377-I380 PolarHBondContact O-N 3.09Å; V377-I380 VanDerWaalsContact O-N 3.13Å; V377-L381 HydrophobicContact CG1-CD1 4.12Å; V377-L381 HydrophobicContact CG1-CD2 4.49Å; V377-L381 HydrophobicContact CG1-CG 4.03Å; V377-L381 WeakPolarHBondContact O-CG 3.37Å; V377-L381 PolarHBondContact O-N 3.45Å; V377-L402 HydrophobicContact CG1-CD2 4.27Å; V377-L405 HydrophobicContact CG2-CD1 4.25Å; V377-F411 HydrophobicContact CG2-CE2 3.97Å; V377-F411 HydrophobicContact CG2-CZ 4.07Å; V377-L436 HydrophobicContact CB-CD1 4.23Å; V377-L436 HydrophobicContact CB-CD2 4.06Å; V377-L436 HydrophobicContact CG1-CD1 3.92Å; V377-L436 HydrophobicContact CG1-CD2 4.26Å; V377-L436 HydrophobicContact CG1-CG 4.27Å; V377-L436 HydrophobicContact CG2-CD2 4.5Å |
| 378 | L | 96.7 | Very high | 94.4 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | -175.8 | -170.9 | 71.8 | 0 | 0 | 0 | 112.9 | D374 I380 L381 E382 L420 I423 W425 L439 | D374-L378 WeakPolarHBondContact O-CB 3.1Å; D374-L378 PolarHBondContact O-N 3.23Å; L378-I380 VanDerWaalsContact C-N 3.31Å; L378-I380 PolarHBondContact O-N 3.32Å; L378-L381 PolarHBondContact O-N 2.77Å; L378-E382 PolarHBondContact O-N 3.18Å; L378-L420 HydrophobicContact CD1-CD1 3.93Å; L378-I423 HydrophobicContact CD1-CD1 4.4Å; L378-W425 HydrophobicContact CD1-CZ2 3.83Å; L378-L439 HydrophobicContact CD1-CD2 3.59Å |
| 379 | P | 96.4 | Very high | 94 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 13% | 0.13 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -36.2 | 172.4 | -24.4 | 35 | 0 | 0 | 0 | 113.7 | Q344 R345 N375 L376 L381 E382 I383 | Q344-P379 HydrophobicContact CB-CB 3.88Å; Q344-P379 HydrophobicContact CB-CG 4.24Å; Q344-P379 HydrophobicContact CG-CB 3.97Å; R345-P379 HydrophobicContact CG-CB 4.45Å; N375-P379 WeakPolarHBondContact O-CD 3.01Å; N375-P379 WeakPolarHBondContact O-CG 3.19Å; L376-P379 WeakPolarHBondContact O-CD 3.39Å; P379-L381 VanDerWaalsContact C-N 3.34Å; P379-E382 WeakPolarHBondContact O-CB 3.11Å; P379-E382 PolarHBondContact O-N 3.29Å; P379-I383 WeakPolarHBondContact O-CG1 3.47Å; P379-I383 PolarHBondContact O-N 3.26Å |
| 380 | I | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 176.4 | -63.7 | 168.6 | 0 | 0 | 0 | 110.7 | Q344 L353 L376 V377 L378 E382 I383 L384 A398 I401 L402 | Q344-I380 HydrophobicContact CG-CD1 4.4Å; Q344-I380 HydrophobicContact CG-CG1 3.82Å; L353-I380 HydrophobicContact CD2-CD1 4Å; L376-I380 HydrophobicContact CG-CD1 4.39Å; L376-I380 WeakPolarHBondContact O-CD1 3.37Å; L376-I380 WeakPolarHBondContact O-CG1 3.5Å; V377-I380 WeakPolarHBondContact O-CB 3.44Å; V377-I380 PolarHBondContact O-N 3.09Å; V377-I380 VanDerWaalsContact O-N 3.13Å; L378-I380 VanDerWaalsContact C-N 3.31Å; L378-I380 PolarHBondContact O-N 3.32Å; I380-E382 VanDerWaalsContact C-N 3.33Å; I380-I383 PolarHBondContact O-N 3.2Å; I380-L384 PolarHBondContact O-N 2.88Å; I380-L384 VanDerWaalsContact O-N 3.17Å; I380-A398 HydrophobicContact CG2-CB 3.97Å; I380-I401 HydrophobicContact CD1-CG2 3.66Å; I380-L402 HydrophobicContact CG2-CD1 4.33Å; I380-L402 HydrophobicContact CG2-CD2 3.81Å; I380-L402 HydrophobicContact CG2-CG 3.77Å |
| 381 | L | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.3 | -37.4 | 174.6 | -64.4 | -176.1 | 0 | 0 | 0 | 112.2 | V377 L378 P379 L384 Y385 L402 W425 L436 L439 L440 V443 | V377-L381 HydrophobicContact CG1-CD1 4.12Å; V377-L381 HydrophobicContact CG1-CD2 4.49Å; V377-L381 HydrophobicContact CG1-CG 4.03Å; V377-L381 WeakPolarHBondContact O-CG 3.37Å; V377-L381 PolarHBondContact O-N 3.45Å; L378-L381 PolarHBondContact O-N 2.77Å; P379-L381 VanDerWaalsContact C-N 3.34Å; L381-L384 PolarHBondContact O-N 2.83Å; L381-Y385 VanDerWaalsContact O-CB 3.28Å; L381-Y385 WeakPolarHBondContact O-CB 3.4Å; L381-Y385 PolarHBondContact O-N 2.94Å; L381-L402 HydrophobicContact CD2-CD1 3.94Å; L381-L402 HydrophobicContact CD2-CD2 4.49Å; L381-W425 HydrophobicContact CB-CH2 4.22Å; L381-W425 HydrophobicContact CB-CZ2 4.49Å; L381-L436 HydrophobicContact CD1-CD1 3.98Å; L381-L439 HydrophobicContact CD1-CB 4.45Å; L381-L439 HydrophobicContact CD1-CD2 4.19Å; L381-L439 HydrophobicContact CD1-CG 4.03Å; L381-L440 HydrophobicContact CD1-CB 4.06Å; L381-L440 HydrophobicContact CD2-CB 4.05Å; L381-L440 HydrophobicContact CD2-CG 3.92Å; L381-V443 HydrophobicContact CB-CG1 4.47Å; L381-V443 HydrophobicContact CB-CG2 4.25Å; L381-V443 HydrophobicContact CD2-CB 4.26Å; L381-V443 HydrophobicContact CD2-CG1 4.28Å; L381-V443 WeakPolarHBondContact O-CG1 3.48Å |
| 382 | E | 96.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 16% | 0.164 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.7 | -167.1 | 172.3 | -161.7 | 0 | 0 | 111.1 | R345 L378 P379 I380 Y385 H386 W425 | R345-E382 IonicContact CZ-OE2 3.49Å; R345-E382 IonicContact NE-OE2 3.34Å; R345-E382 IonicContact NH2-OE1 2.81Å; R345-E382 IonicContact NH2-OE2 3.76Å; R345-E382 PolarHBondContact NH2-OE2 3.32Å; L378-E382 PolarHBondContact O-N 3.18Å; P379-E382 WeakPolarHBondContact O-CB 3.11Å; P379-E382 PolarHBondContact O-N 3.29Å; I380-E382 VanDerWaalsContact C-N 3.33Å; E382-Y385 PolarHBondContact O-N 3.46Å; E382-H386 PolarHBondContact O-CD2 3.39Å; E382-H386 VanDerWaalsContact O-CD2 3.29Å; E382-H386 PolarHBondContact O-N 2.9Å; E382-H386 VanDerWaalsContact O-N 3.13Å; E382-W425 HydrophobicContact CG-CD2 4.37Å; E382-W425 HydrophobicContact CG-CG 4.27Å |
| 383 | I | 95.5 | Very high | 93 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 172.8 | -67.3 | 159.2 | 0 | 0 | 0 | 110.9 | Q344 P379 I380 Y385 H386 V387 R390 H394 A398 | Q344-I383 WeakPolarHBondContact O-CD1 3.48Å; P379-I383 WeakPolarHBondContact O-CG1 3.47Å; P379-I383 PolarHBondContact O-N 3.26Å; I380-I383 PolarHBondContact O-N 3.2Å; I383-Y385 VanDerWaalsContact C-N 3.32Å; I383-Y385 PolarHBondContact O-N 3.35Å; I383-H386 CarbonylContact O-C 3.49Å; I383-H386 PolarHBondContact O-N 2.94Å; I383-V387 PolarHBondContact O-N 3.36Å; I383-R390 HydrophobicContact CG2-CG 4.45Å; I383-H394 VanDerWaalsContact CD1-CE1 3.46Å; I383-H394 WeakPolarHBondContact CD1-CE1 3.5Å; I383-H394 WeakPolarHBondContact CD1-NE2 3.42Å; I383-A398 HydrophobicContact CB-CB 4.32Å; I383-A398 HydrophobicContact CG2-CB 3.86Å |
| 384 | L | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -30.3 | -179 | -67.1 | -179.5 | 0 | 0 | 0 | 113.4 | I380 L381 H386 V395 A398 L399 L402 V443 T447 | I380-L384 PolarHBondContact O-N 2.88Å; I380-L384 VanDerWaalsContact O-N 3.17Å; L381-L384 PolarHBondContact O-N 2.83Å; L384-H386 VanDerWaalsContact C-N 3.33Å; L384-V395 HydrophobicContact CD2-CG1 3.95Å; L384-A398 HydrophobicContact CD2-CB 3.91Å; L384-A398 HydrophobicContact CG-CB 4.12Å; L384-L399 HydrophobicContact CD1-CD1 4.45Å; L384-L399 HydrophobicContact CD2-CB 4.21Å; L384-L402 HydrophobicContact CD1-CD1 3.34Å; L384-L402 HydrophobicContact CD1-CG 4.33Å; L384-V443 HydrophobicContact CB-CG1 3.74Å; L384-T447 PolarHBondContact O-OG1 3.24Å |
| 385 | Y | 95.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 34 Ų | 34 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -37.5 | 176.3 | -179.7 | -92.9 | 0 | 0 | 0 | 111.8 | L381 E382 I383 V387 W425 Y426 T427 E428 R446 | L381-Y385 VanDerWaalsContact O-CB 3.28Å; L381-Y385 WeakPolarHBondContact O-CB 3.4Å; L381-Y385 PolarHBondContact O-N 2.94Å; E382-Y385 PolarHBondContact O-N 3.46Å; I383-Y385 VanDerWaalsContact C-N 3.32Å; I383-Y385 PolarHBondContact O-N 3.35Å; Y385-V387 VanDerWaalsContact C-N 3.35Å; Y385-V387 PolarHBondContact O-N 3.13Å; Y385-W425 AromaticContact CD1-CE3 3.77Å; Y385-W425 HydrophobicContact CD1-CE3 3.77Å; Y385-W425 HydrophobicContact CD1-CZ3 4.17Å; Y385-W425 HydrophobicContact CD2-CE3 4.06Å; Y385-W425 AromaticContact CD2-CZ3 3.71Å; Y385-W425 HydrophobicContact CD2-CZ3 3.71Å; Y385-W425 HydrophobicContact CE1-CE3 4.21Å; Y385-W425 WeakPolarHBondContact CE1-O 3.34Å; Y385-W425 HydrophobicContact CE2-CE3 4.46Å; Y385-W425 HydrophobicContact CE2-CZ3 4.38Å; Y385-W425 AromaticContact CG-CE3 3.69Å; Y385-W425 HydrophobicContact CG-CE3 3.69Å; Y385-W425 AromaticContact CG-CZ3 3.58Å; Y385-W425 HydrophobicContact CG-CZ3 3.58Å; Y385-W425 PolarHBondContact OH-O 3Å; Y385-Y426 AromaticContact CD2-CD2 3.99Å; Y385-Y426 HydrophobicContact CD2-CD2 3.99Å; Y385-Y426 HydrophobicContact CD2-CE2 4.38Å; Y385-Y426 AromaticContact CE2-CD2 3.62Å; Y385-Y426 HydrophobicContact CE2-CD2 3.62Å; Y385-Y426 AromaticContact CE2-CE2 3.98Å; Y385-Y426 HydrophobicContact CE2-CE2 3.98Å; Y385-Y426 HydrophobicContact CE2-CG 4.26Å; Y385-T427 PolarHBondContact OH-N 3.26Å; Y385-T427 PolarHBondContact OH-OG1 3.38Å; Y385-E428 WeakPolarHBondContact CE2-OE2 3.24Å; Y385-E428 PolarHBondContact OH-OE2 3.33Å; Y385-R446 VanDerWaalsContact CD2-CD 3.46Å; Y385-R446 VanDerWaalsContact CE2-CD 3.48Å; Y385-R446 PolarHBondContact OH-NH1 3.44Å |
| 386 | H | 93.5 | Very high | 93 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 25% | 0.25 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 32.2 | 177.6 | -70.3 | -71.2 | 0 | 0 | 0 | 113.4 | E382 I383 L384 E388 D389 R390 | E382-H386 PolarHBondContact O-CD2 3.39Å; E382-H386 VanDerWaalsContact O-CD2 3.29Å; E382-H386 PolarHBondContact O-N 2.9Å; E382-H386 VanDerWaalsContact O-N 3.13Å; I383-H386 CarbonylContact O-C 3.49Å; I383-H386 PolarHBondContact O-N 2.94Å; L384-H386 VanDerWaalsContact C-N 3.33Å; H386-E388 PolarHBondContact O-N 3.34Å; H386-D389 IonicContact ND1-OD2 3.49Å; H386-D389 PolarHBondContact O-N 3.32Å; H386-R390 HydrophobicContact CB-CG 4.5Å; H386-R390 VanDerWaalsContact O-CG 3.28Å; H386-R390 WeakPolarHBondContact O-CG 3.26Å |
| 387 | V | 89.4 | Confident | 93 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 13% | 0.127 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -50.7 | -27.3 | -179.4 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | I383 Y385 D389 V395 F450 | I383-V387 PolarHBondContact O-N 3.36Å; Y385-V387 VanDerWaalsContact C-N 3.35Å; Y385-V387 PolarHBondContact O-N 3.13Å; V387-D389 VanDerWaalsContact C-N 3.34Å; V387-V395 HydrophobicContact CB-CG2 4.41Å; V387-V395 HydrophobicContact CG2-CB 4.48Å; V387-V395 HydrophobicContact CG2-CG1 3.8Å; V387-V395 HydrophobicContact CG2-CG2 3.92Å; V387-F450 HydrophobicContact CG1-CD1 3.55Å; V387-F450 HydrophobicContact CG1-CD2 4.41Å; V387-F450 HydrophobicContact CG1-CE1 3.74Å; V387-F450 HydrophobicContact CG1-CG 3.91Å; V387-F450 HydrophobicContact CG1-CZ 4.26Å; V387-F450 HydrophobicContact CG2-CD1 4.33Å; V387-F450 HydrophobicContact CG2-CE1 4.16Å |
| 388 | E | 85.9 | Confident | 92.9 | Very high | 123 Ų | 123 | 32.5 Ų | 32.5 | 58% | 0.575 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -71.8 | -26.2 | 178.2 | -66.3 | 178.9 | -155.5 | 0 | 0 | 113.5 | H386 F450 | H386-E388 PolarHBondContact O-N 3.34Å; E388-F450 VanDerWaalsContact CD-CE2 3.49Å; E388-F450 HydrophobicContact CG-CD2 4.13Å; E388-F450 HydrophobicContact CG-CE1 4.47Å; E388-F450 HydrophobicContact CG-CE2 3.26Å; E388-F450 HydrophobicContact CG-CZ 3.47Å; E388-F450 VanDerWaalsContact CG-CZ 3.47Å; E388-F450 WeakPolarHBondContact OE1-CD2 3.47Å; E388-F450 WeakPolarHBondContact OE1-CE2 3.44Å |
| 389 | D | 87.2 | Confident | 92.9 | Very high | 125 Ų | 125 | 30.4 Ų | 30.4 | 67% | 0.668 | 15% | 0.15 | S | C | * | . | G | 310 helix | trans | -104.9 | 6.6 | -173.4 | -54.5 | -50.1 | 0 | 0 | 0 | 112.1 | H386 V387 | H386-D389 IonicContact ND1-OD2 3.49Å; H386-D389 PolarHBondContact O-N 3.32Å; V387-D389 VanDerWaalsContact C-N 3.34Å |
| 390 | R | 86.2 | Confident | 92.9 | Very high | 93 Ų | 93 | 29.6 Ų | 29.6 | 35% | 0.351 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -122.1 | 150.7 | -170.7 | -63.2 | -66.7 | 178.1 | 174.8 | -2 | 111.6 | I383 H386 S392 V395 | I383-R390 HydrophobicContact CG2-CG 4.45Å; H386-R390 HydrophobicContact CB-CG 4.5Å; H386-R390 VanDerWaalsContact O-CG 3.28Å; H386-R390 WeakPolarHBondContact O-CG 3.26Å; R390-S392 PolarHBondContact O-N 2.62Å; R390-V395 HydrophobicContact CB-CG2 3.82Å |
| 391 | N | 85.4 | Confident | 92.9 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 9% | 0.086 | 14% | 0.144 | C | C | . | . | trans | -58.6 | 134.4 | 169.8 | -177.3 | -24.5 | 0 | 0 | 0 | 109.9 | H393 H394 V395 G669 | N391-H393 PolarHBondContact O-N 3.06Å; N391-H393 WeakPolarHBondContact OD1-CB 3.49Å; N391-H393 PolarHBondContact OD1-N 3.27Å; N391-H394 HydrophobicContact CB-CB 4.28Å; N391-H394 WeakPolarHBondContact O-CB 3.48Å; N391-H394 PolarHBondContact O-N 3.44Å; N391-V395 WeakPolarHBondContact O-CG2 3.42Å; N391-V395 PolarHBondContact O-N 2.84Å; N391-V395 VanDerWaalsContact O-N 3.09Å; N391-G669 WeakPolarHBondContact CA-OXT 3.39Å; N391-G669 WeakPolarHBondContact CB-OXT 3.49Å; N391-G669 PolarHBondContact ND2-OXT 3.07Å | ||
| 392 | S | 88.6 | Confident | 92.9 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 36% | 0.357 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -50.8 | -41.6 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | R390 H394 V395 Y396 | R390-S392 PolarHBondContact O-N 2.62Å; S392-H394 PolarHBondContact O-N 2.96Å; S392-V395 WeakPolarHBondContact O-CB 3.37Å; S392-V395 PolarHBondContact O-N 3.45Å; S392-Y396 VanDerWaalsContact O-CD2 3.29Å; S392-Y396 WeakPolarHBondContact O-CD2 3.42Å; S392-Y396 PolarHBondContact O-N 3.08Å |
| 393 | H | 90.7 | Very high | 93 | Very high | 37 Ų | 37 | 28 Ų | 28 | 17% | 0.171 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 177.4 | -60.7 | 163.4 | 0 | 0 | 0 | 111.8 | N391 V395 Y396 M397 F638 Y642 | N391-H393 PolarHBondContact O-N 3.06Å; N391-H393 WeakPolarHBondContact OD1-CB 3.49Å; N391-H393 PolarHBondContact OD1-N 3.27Å; H393-V395 VanDerWaalsContact C-N 3.35Å; H393-V395 PolarHBondContact O-N 3.46Å; H393-Y396 PolarHBondContact O-N 3.49Å; H393-M397 WeakPolarHBondContact O-CG 3.4Å; H393-M397 PolarHBondContact O-N 2.89Å; H393-F638 HydrophobicContact CB-CZ 4.19Å; H393-F638 AromaticContact CD2-CE2 3.61Å; H393-Y642 HydrophobicContact CB-CD1 4.34Å; H393-Y642 HydrophobicContact CB-CD2 3.43Å; H393-Y642 VanDerWaalsContact CB-CD2 3.43Å; H393-Y642 HydrophobicContact CB-CE1 4.24Å; H393-Y642 HydrophobicContact CB-CE2 3.3Å; H393-Y642 HydrophobicContact CB-CG 3.96Å; H393-Y642 AromaticContact CG-CD2 3.73Å; H393-Y642 AromaticContact ND1-CD2 3.35Å; H393-Y642 VanDerWaalsContact ND1-CD2 3.35Å; H393-Y642 WeakPolarHBondContact ND1-CD2 3.41Å; H393-Y642 AromaticContact ND1-CG 3.91Å |
| 394 | H | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 177.5 | -169.5 | -158 | 0 | 0 | 0 | 111.6 | D347 T350 I383 N391 S392 M397 A398 | D347-H394 IonicContact OD1-CE1 2.87Å; D347-H394 PolarHBondContact OD1-CE1 3.43Å; D347-H394 IonicContact OD1-CG 2.69Å; D347-H394 IonicContact OD1-ND1 2.82Å; D347-H394 PolarHBondContact OD1-ND1 2.98Å; D347-H394 WeakPolarHBondContact OD2-CB 3.34Å; D347-H394 IonicContact OD2-CG 3.07Å; T350-H394 PolarHBondContact OG1-NE2 2.9Å; I383-H394 VanDerWaalsContact CD1-CE1 3.46Å; I383-H394 WeakPolarHBondContact CD1-CE1 3.5Å; I383-H394 WeakPolarHBondContact CD1-NE2 3.42Å; N391-H394 HydrophobicContact CB-CB 4.28Å; N391-H394 WeakPolarHBondContact O-CB 3.48Å; N391-H394 PolarHBondContact O-N 3.44Å; S392-H394 PolarHBondContact O-N 2.96Å; H394-M397 PolarHBondContact O-N 2.96Å; H394-A398 WeakPolarHBondContact O-CB 3.46Å; H394-A398 PolarHBondContact O-N 3.22Å |
| 395 | V | 93.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | L384 V387 R390 N391 S392 H393 A398 L399 L460 | L384-V395 HydrophobicContact CD2-CG1 3.95Å; V387-V395 HydrophobicContact CB-CG2 4.41Å; V387-V395 HydrophobicContact CG2-CB 4.48Å; V387-V395 HydrophobicContact CG2-CG1 3.8Å; V387-V395 HydrophobicContact CG2-CG2 3.92Å; R390-V395 HydrophobicContact CB-CG2 3.82Å; N391-V395 WeakPolarHBondContact O-CG2 3.42Å; N391-V395 PolarHBondContact O-N 2.84Å; N391-V395 VanDerWaalsContact O-N 3.09Å; S392-V395 WeakPolarHBondContact O-CB 3.37Å; S392-V395 PolarHBondContact O-N 3.45Å; H393-V395 VanDerWaalsContact C-N 3.35Å; H393-V395 PolarHBondContact O-N 3.46Å; V395-A398 PolarHBondContact O-N 3.17Å; V395-L399 WeakPolarHBondContact O-CB 3.41Å; V395-L399 PolarHBondContact O-N 3Å; V395-L460 HydrophobicContact CG1-CD1 3.7Å |
| 396 | Y | 94 | Very high | 93.3 | Very high | 50 Ų | 50 | 28.2 Ų | 28.2 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 175.5 | -64.6 | -35.8 | 0 | 0 | 0 | 111.9 | S392 H393 A398 L399 I400 D457 Y459 L460 F638 | S392-Y396 VanDerWaalsContact O-CD2 3.29Å; S392-Y396 WeakPolarHBondContact O-CD2 3.42Å; S392-Y396 PolarHBondContact O-N 3.08Å; H393-Y396 PolarHBondContact O-N 3.49Å; Y396-A398 PolarHBondContact O-N 3.16Å; Y396-L399 PolarHBondContact O-N 2.9Å; Y396-I400 VanDerWaalsContact O-CG1 3.28Å; Y396-I400 WeakPolarHBondContact O-CG1 3.36Å; Y396-I400 PolarHBondContact O-N 3.48Å; Y396-D457 VanDerWaalsContact CE1-OD2 3.22Å; Y396-D457 WeakPolarHBondContact CE1-OD2 3.46Å; Y396-D457 VanDerWaalsContact CZ-OD2 3.27Å; Y396-D457 PolarHBondContact OH-OD2 3.46Å; Y396-Y459 AromaticContact CD1-CD1 3.78Å; Y396-Y459 HydrophobicContact CD1-CD1 3.78Å; Y396-Y459 HydrophobicContact CD1-CE1 4.08Å; Y396-Y459 AromaticContact CE1-CD1 3.93Å; Y396-Y459 HydrophobicContact CE1-CD1 3.93Å; Y396-Y459 HydrophobicContact CG-CD1 4.32Å; Y396-Y459 HydrophobicContact CG-CE1 4.26Å; Y396-L460 HydrophobicContact CE1-CB 4.27Å; Y396-L460 HydrophobicContact CE1-CD1 4.36Å; Y396-F638 HydrophobicContact CD2-CE2 4.48Å |
| 397 | M | 95.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.6 | -67.9 | -52.7 | 93.6 | 0 | 0 | 112.1 | T350 L351 Y354 H393 H394 L399 I400 I401 F638 F639 Y642 | T350-M397 HydrophobicContact CG2-CB 3.86Å; L351-M397 HydrophobicContact CD1-CG 4.31Å; L351-M397 HydrophobicContact CD1-SD 3.85Å; Y354-M397 HydrophobicContact CD1-SD 4.36Å; Y354-M397 HydrophobicContact CG-SD 4.2Å; H393-M397 WeakPolarHBondContact O-CG 3.4Å; H393-M397 PolarHBondContact O-N 2.89Å; H394-M397 PolarHBondContact O-N 2.96Å; M397-L399 VanDerWaalsContact C-N 3.27Å; M397-L399 PolarHBondContact O-N 2.81Å; M397-I400 HydrophobicContact CE-CD1 3.46Å; M397-I400 VanDerWaalsContact CE-CD1 3.46Å; M397-I400 PolarHBondContact O-N 3.28Å; M397-I401 WeakPolarHBondContact O-CB 3.35Å; M397-I401 WeakPolarHBondContact O-CD1 3.49Å; M397-I401 VanDerWaalsContact O-CG1 3.24Å; M397-I401 WeakPolarHBondContact O-CG1 3.24Å; M397-I401 PolarHBondContact O-N 2.81Å; M397-F638 HydrophobicContact CE-CE1 3.43Å; M397-F638 VanDerWaalsContact CE-CE1 3.43Å; M397-F638 HydrophobicContact CE-CZ 3.67Å; M397-F638 HydrophobicContact SD-CE1 4.22Å; M397-F639 HydrophobicContact CE-CE1 4.39Å; M397-F639 HydrophobicContact SD-CE1 3.88Å; M397-Y642 HydrophobicContact CG-CE1 3.69Å; M397-Y642 HydrophobicContact SD-CE1 4.49Å |
| 398 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.9 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I380 I383 L384 H394 V395 Y396 L402 | I380-A398 HydrophobicContact CG2-CB 3.97Å; I383-A398 HydrophobicContact CB-CB 4.32Å; I383-A398 HydrophobicContact CG2-CB 3.86Å; L384-A398 HydrophobicContact CD2-CB 3.91Å; L384-A398 HydrophobicContact CG-CB 4.12Å; H394-A398 WeakPolarHBondContact O-CB 3.46Å; H394-A398 PolarHBondContact O-N 3.22Å; V395-A398 PolarHBondContact O-N 3.17Å; Y396-A398 PolarHBondContact O-N 3.16Å; A398-L402 PolarHBondContact O-N 2.95Å; A398-L402 VanDerWaalsContact O-N 3.09Å |
| 399 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71 | -40.5 | 179.7 | -175 | 59.1 | 0 | 0 | 0 | 113 | L384 V395 Y396 M397 I401 L402 L403 L460 N463 | L384-L399 HydrophobicContact CD1-CD1 4.45Å; L384-L399 HydrophobicContact CD2-CB 4.21Å; V395-L399 WeakPolarHBondContact O-CB 3.41Å; V395-L399 PolarHBondContact O-N 3Å; Y396-L399 PolarHBondContact O-N 2.9Å; M397-L399 VanDerWaalsContact C-N 3.27Å; M397-L399 PolarHBondContact O-N 2.81Å; L399-I401 VanDerWaalsContact C-N 3.32Å; L399-L402 PolarHBondContact O-N 3.22Å; L399-L403 PolarHBondContact O-N 3.45Å; L399-L460 HydrophobicContact CD2-CG 4.03Å; L399-N463 HydrophobicContact CD1-CB 4.44Å; L399-N463 HydrophobicContact CD2-CB 3.5Å; L399-N463 HydrophobicContact CG-CB 3.71Å |
| 400 | I | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 175 | -68.7 | 169.9 | 0 | 0 | 0 | 110.3 | Y354 Y396 M397 L402 L403 I404 Y459 Y629 | Y354-I400 HydrophobicContact CD2-CG2 3.69Å; Y354-I400 HydrophobicContact CE2-CG2 3.63Å; Y396-I400 VanDerWaalsContact O-CG1 3.28Å; Y396-I400 WeakPolarHBondContact O-CG1 3.36Å; Y396-I400 PolarHBondContact O-N 3.48Å; M397-I400 HydrophobicContact CE-CD1 3.46Å; M397-I400 VanDerWaalsContact CE-CD1 3.46Å; M397-I400 PolarHBondContact O-N 3.28Å; I400-L402 VanDerWaalsContact C-N 3.35Å; I400-L402 PolarHBondContact O-N 2.89Å; I400-L403 WeakPolarHBondContact O-CB 3.38Å; I400-L403 PolarHBondContact O-N 3.47Å; I400-L403 VanDerWaalsContact O-N 3.13Å; I400-I404 HydrophobicContact CG2-CD1 3.84Å; I400-I404 HydrophobicContact CG2-CG1 4.34Å; I400-I404 WeakPolarHBondContact O-CG1 3.13Å; I400-I404 PolarHBondContact O-N 3.09Å; I400-Y459 VanDerWaalsContact CD1-OH 3.24Å; I400-Y459 WeakPolarHBondContact CD1-OH 3.44Å; I400-Y629 HydrophobicContact CB-CD2 4.45Å; I400-Y629 HydrophobicContact CB-CE2 4.38Å; I400-Y629 HydrophobicContact CD1-CE2 3.75Å; I400-Y629 HydrophobicContact CG1-CD2 4.17Å; I400-Y629 HydrophobicContact CG1-CE2 3.84Å; I400-Y629 HydrophobicContact CG2-CD1 4.08Å; I400-Y629 HydrophobicContact CG2-CD2 3.6Å; I400-Y629 HydrophobicContact CG2-CE1 4.09Å; I400-Y629 HydrophobicContact CG2-CE2 3.62Å; I400-Y629 HydrophobicContact CG2-CG 3.83Å |
| 401 | I | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 175.8 | -69.8 | 160.1 | 0 | 0 | 0 | 110.6 | T350 L353 L357 I380 M397 L399 L403 I404 L405 | T350-I401 HydrophobicContact CG2-CD1 3.58Å; T350-I401 WeakPolarHBondContact O-CD1 3.4Å; L353-I401 HydrophobicContact CB-CD1 4.24Å; L353-I401 HydrophobicContact CD2-CD1 4.09Å; L353-I401 HydrophobicContact CD2-CG2 3.91Å; L353-I401 HydrophobicContact CG-CD1 4.18Å; L353-I401 HydrophobicContact CG-CG2 4.37Å; L357-I401 HydrophobicContact CD1-CG1 4.43Å; L357-I401 HydrophobicContact CD1-CG2 3.74Å; I380-I401 HydrophobicContact CD1-CG2 3.66Å; M397-I401 WeakPolarHBondContact O-CB 3.35Å; M397-I401 WeakPolarHBondContact O-CD1 3.49Å; M397-I401 VanDerWaalsContact O-CG1 3.24Å; M397-I401 WeakPolarHBondContact O-CG1 3.24Å; M397-I401 PolarHBondContact O-N 2.81Å; L399-I401 VanDerWaalsContact C-N 3.32Å; I401-L403 VanDerWaalsContact C-N 3.31Å; I401-L403 PolarHBondContact O-N 3.41Å; I401-I404 PolarHBondContact O-N 3.31Å; I401-L405 HydrophobicContact CG2-CD1 3.98Å; I401-L405 HydrophobicContact CG2-CG 4.36Å; I401-L405 WeakPolarHBondContact O-CB 3.26Å; I401-L405 VanDerWaalsContact O-CG 3.26Å; I401-L405 WeakPolarHBondContact O-CG 3.48Å; I401-L405 PolarHBondContact O-N 3.31Å |
| 402 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 173.7 | -71.1 | -171.9 | 0 | 0 | 0 | 111.9 | V377 I380 L381 L384 A398 L399 I400 L405 T406 L440 V444 | V377-L402 HydrophobicContact CG1-CD2 4.27Å; I380-L402 HydrophobicContact CG2-CD1 4.33Å; I380-L402 HydrophobicContact CG2-CD2 3.81Å; I380-L402 HydrophobicContact CG2-CG 3.77Å; L381-L402 HydrophobicContact CD2-CD1 3.94Å; L381-L402 HydrophobicContact CD2-CD2 4.49Å; L384-L402 HydrophobicContact CD1-CD1 3.34Å; L384-L402 HydrophobicContact CD1-CG 4.33Å; A398-L402 PolarHBondContact O-N 2.95Å; A398-L402 VanDerWaalsContact O-N 3.09Å; L399-L402 PolarHBondContact O-N 3.22Å; I400-L402 VanDerWaalsContact C-N 3.35Å; I400-L402 PolarHBondContact O-N 2.89Å; L402-L405 PolarHBondContact O-N 3.08Å; L402-T406 WeakPolarHBondContact O-CB 3.43Å; L402-T406 WeakPolarHBondContact O-CG2 3.47Å; L402-T406 PolarHBondContact O-N 3.15Å; L402-T406 PolarHBondContact O-OG1 2.89Å; L402-T406 VanDerWaalsContact O-OG1 3.07Å; L402-L440 HydrophobicContact CD2-CD1 4.29Å; L402-V444 HydrophobicContact CD1-CG2 4.39Å |
| 403 | L | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.4 | -51.9 | 177.2 | -179.5 | 58.7 | 0 | 0 | 0 | 110.7 | L399 I400 I401 L405 T406 E407 A466 F627 Y629 | L399-L403 PolarHBondContact O-N 3.45Å; I400-L403 WeakPolarHBondContact O-CB 3.38Å; I400-L403 PolarHBondContact O-N 3.47Å; I400-L403 VanDerWaalsContact O-N 3.13Å; I401-L403 VanDerWaalsContact C-N 3.31Å; I401-L403 PolarHBondContact O-N 3.41Å; L403-L405 VanDerWaalsContact C-N 3.34Å; L403-L405 PolarHBondContact O-N 3.08Å; L403-T406 PolarHBondContact O-N 2.86Å; L403-T406 PolarHBondContact O-OG1 2.91Å; L403-E407 WeakPolarHBondContact O-CG 3.4Å; L403-E407 PolarHBondContact O-N 2.63Å; L403-A466 HydrophobicContact CD1-CB 3.63Å; L403-F627 HydrophobicContact CD1-CB 4.47Å; L403-Y629 HydrophobicContact CD2-CD2 4.37Å |
| 404 | I | 97.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 6% | 0.056 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 178.1 | -66.3 | 167.5 | 0 | 0 | 0 | 111.4 | Y354 L357 I400 I401 E407 Y629 | Y354-I404 HydrophobicContact CD2-CD1 4.22Å; Y354-I404 HydrophobicContact CE2-CD1 4.33Å; L357-I404 HydrophobicContact CB-CG2 4.18Å; I400-I404 HydrophobicContact CG2-CD1 3.84Å; I400-I404 HydrophobicContact CG2-CG1 4.34Å; I400-I404 WeakPolarHBondContact O-CG1 3.13Å; I400-I404 PolarHBondContact O-N 3.09Å; I401-I404 PolarHBondContact O-N 3.31Å; I404-E407 WeakPolarHBondContact O-CB 3.39Å; I404-E407 WeakPolarHBondContact O-CG 3.44Å; I404-E407 PolarHBondContact O-N 3.44Å; I404-Y629 HydrophobicContact CD1-CD1 4.12Å; I404-Y629 HydrophobicContact CD1-CG 4.42Å; I404-Y629 HydrophobicContact CG1-CD1 4.3Å; I404-Y629 HydrophobicContact CG1-CG 4.2Å |
| 405 | L | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 178.7 | -69.6 | 174.7 | 0 | 0 | 0 | 111.6 | L357 I367 L368 M373 V377 I401 L402 L403 E407 D408 F411 | L357-L405 HydrophobicContact CD1-CD2 4.25Å; L357-L405 HydrophobicContact CD1-CG 4.43Å; L357-L405 HydrophobicContact CD2-CD2 4.26Å; I367-L405 HydrophobicContact CG2-CD2 4.41Å; L368-L405 HydrophobicContact CD2-CD2 3.89Å; M373-L405 HydrophobicContact CE-CD2 4.07Å; V377-L405 HydrophobicContact CG2-CD1 4.25Å; I401-L405 HydrophobicContact CG2-CD1 3.98Å; I401-L405 HydrophobicContact CG2-CG 4.36Å; I401-L405 WeakPolarHBondContact O-CB 3.26Å; I401-L405 VanDerWaalsContact O-CG 3.26Å; I401-L405 WeakPolarHBondContact O-CG 3.48Å; I401-L405 PolarHBondContact O-N 3.31Å; L402-L405 PolarHBondContact O-N 3.08Å; L403-L405 VanDerWaalsContact C-N 3.34Å; L403-L405 PolarHBondContact O-N 3.08Å; L405-E407 PolarHBondContact O-N 3.17Å; L405-D408 PolarHBondContact O-N 2.89Å; L405-F411 HydrophobicContact CB-CD1 4.13Å; L405-F411 HydrophobicContact CB-CD2 4.48Å; L405-F411 HydrophobicContact CB-CE1 3.77Å; L405-F411 HydrophobicContact CB-CE2 4.15Å; L405-F411 HydrophobicContact CB-CG 4.46Å; L405-F411 HydrophobicContact CB-CZ 3.77Å; L405-F411 HydrophobicContact CD1-CE2 4.31Å; L405-F411 HydrophobicContact CD1-CZ 4.2Å; L405-F411 WeakPolarHBondContact O-CD1 3.32Å |
| 406 | T | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.5 | -12.1 | -179.7 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | L402 L403 D408 F411 N412 A467 N470 M471 | L402-T406 WeakPolarHBondContact O-CB 3.43Å; L402-T406 WeakPolarHBondContact O-CG2 3.47Å; L402-T406 PolarHBondContact O-N 3.15Å; L402-T406 PolarHBondContact O-OG1 2.89Å; L402-T406 VanDerWaalsContact O-OG1 3.07Å; L403-T406 PolarHBondContact O-N 2.86Å; L403-T406 PolarHBondContact O-OG1 2.91Å; T406-D408 PolarHBondContact O-N 3.39Å; T406-F411 HydrophobicContact CG2-CE1 4.02Å; T406-N412 WeakPolarHBondContact CA-OD1 3.35Å; T406-N412 PolarHBondContact O-ND2 3.49Å; T406-N412 PolarHBondContact O-OD1 2.9Å; T406-A467 HydrophobicContact CG2-CB 4.42Å; T406-N470 WeakPolarHBondContact O-CB 3.49Å; T406-N470 PolarHBondContact OG1-ND2 3.22Å; T406-M471 HydrophobicContact CG2-CG 3.61Å; T406-M471 HydrophobicContact CG2-SD 3.76Å |
| 407 | E | 96.3 | Very high | 96.5 | Very high | 49 Ų | 49 | 23.4 Ų | 23.4 | 23% | 0.229 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.5 | 172.2 | -59.8 | -173.9 | -160.4 | 0 | 0 | 112 | L403 I404 L405 K628 Y629 | L403-E407 WeakPolarHBondContact O-CG 3.4Å; L403-E407 PolarHBondContact O-N 2.63Å; I404-E407 WeakPolarHBondContact O-CB 3.39Å; I404-E407 WeakPolarHBondContact O-CG 3.44Å; I404-E407 PolarHBondContact O-N 3.44Å; L405-E407 PolarHBondContact O-N 3.17Å; E407-K628 HydrophobicContact CG-CG 4.5Å; E407-K628 WeakPolarHBondContact OE1-CA 3.45Å; E407-K628 WeakPolarHBondContact OE2-CG 3.45Å; E407-Y629 PolarHBondContact OE1-N 2.84Å |
| 408 | D | 96.6 | Very high | 96.5 | Very high | 53 Ų | 53 | 24.7 Ų | 24.7 | 28% | 0.283 | 13% | 0.129 | S | C | . | . | trans | -88.4 | 125.6 | -177.1 | -175.4 | -95.1 | 0 | 0 | 0 | 113.1 | L368 L405 T406 A410 F411 N412 | L368-D408 HydrophobicContact CD1-CB 4Å; L368-D408 HydrophobicContact CD2-CB 4.02Å; L405-D408 PolarHBondContact O-N 2.89Å; T406-D408 PolarHBondContact O-N 3.39Å; D408-A410 PolarHBondContact O-N 3.48Å; D408-A410 VanDerWaalsContact OD1-CA 3.31Å; D408-A410 WeakPolarHBondContact OD1-CA 3.45Å; D408-A410 VanDerWaalsContact OD1-CB 3.24Å; D408-A410 WeakPolarHBondContact OD1-CB 3.47Å; D408-A410 PolarHBondContact OD1-N 3.36Å; D408-F411 HydrophobicContact CB-CB 4.1Å; D408-F411 PolarHBondContact O-N 3.38Å; D408-F411 PolarHBondContact OD1-N 3.19Å; D408-N412 VanDerWaalsContact O-CG 3.26Å; D408-N412 PolarHBondContact O-N 3.42Å; D408-N412 VanDerWaalsContact O-N 3.08Å; D408-N412 PolarHBondContact O-ND2 3.14Å; D408-N412 VanDerWaalsContact O-ND2 3.16Å | ||
| 409 | D | 95.2 | Very high | 96.4 | Very high | 45 Ų | 45 | 28.5 Ų | 28.5 | 24% | 0.241 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.9 | -29.3 | -179.6 | -84.2 | -43.5 | 0 | 0 | 0 | 114 | R413 Q474 K626 | D409-R413 WeakPolarHBondContact O-CG 3.33Å; D409-R413 VanDerWaalsContact O-CZ 3.28Å; D409-R413 PolarHBondContact O-N 3.49Å; D409-R413 PolarHBondContact O-NH1 3.2Å; D409-Q474 WeakPolarHBondContact OD1-CG 3.42Å; D409-Q474 PolarHBondContact OD1-NE2 3.28Å; D409-Q474 VanDerWaalsContact OD1-NE2 3.09Å; D409-K626 IonicContact OD1-NZ 3.98Å; D409-K626 PolarHBondContact OD1-NZ 3.25Å; D409-K626 IonicContact OD2-NZ 2.74Å; D409-K626 PolarHBondContact OD2-NZ 3.25Å |
| 410 | A | 95.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 41% | 0.413 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -71.7 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | D408 R413 S414 | D408-A410 PolarHBondContact O-N 3.48Å; D408-A410 VanDerWaalsContact OD1-CA 3.31Å; D408-A410 WeakPolarHBondContact OD1-CA 3.45Å; D408-A410 VanDerWaalsContact OD1-CB 3.24Å; D408-A410 WeakPolarHBondContact OD1-CB 3.47Å; D408-A410 PolarHBondContact OD1-N 3.36Å; A410-R413 PolarHBondContact O-N 2.92Å; A410-S414 WeakPolarHBondContact O-CB 3.35Å; A410-S414 PolarHBondContact O-N 3.43Å; A410-S414 PolarHBondContact O-OG 3.42Å |
| 411 | F | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.4 | -52.6 | 169.3 | 172.6 | -97.6 | 0 | 0 | 0 | 111.3 | L368 M373 V377 L405 T406 D408 R413 S414 I415 | L368-F411 HydrophobicContact CD2-CB 4.05Å; L368-F411 HydrophobicContact CD2-CG 4.45Å; M373-F411 HydrophobicContact CE-CD2 3.74Å; M373-F411 HydrophobicContact CE-CE2 3.63Å; V377-F411 HydrophobicContact CG2-CE2 3.97Å; V377-F411 HydrophobicContact CG2-CZ 4.07Å; L405-F411 HydrophobicContact CB-CD1 4.13Å; L405-F411 HydrophobicContact CB-CD2 4.48Å; L405-F411 HydrophobicContact CB-CE1 3.77Å; L405-F411 HydrophobicContact CB-CE2 4.15Å; L405-F411 HydrophobicContact CB-CG 4.46Å; L405-F411 HydrophobicContact CB-CZ 3.77Å; L405-F411 HydrophobicContact CD1-CE2 4.31Å; L405-F411 HydrophobicContact CD1-CZ 4.2Å; L405-F411 WeakPolarHBondContact O-CD1 3.32Å; T406-F411 HydrophobicContact CG2-CE1 4.02Å; D408-F411 HydrophobicContact CB-CB 4.1Å; D408-F411 PolarHBondContact O-N 3.38Å; D408-F411 PolarHBondContact OD1-N 3.19Å; F411-R413 PolarHBondContact O-N 3.13Å; F411-R413 VanDerWaalsContact O-N 3.15Å; F411-S414 PolarHBondContact O-N 3.1Å; F411-S414 VanDerWaalsContact O-N 3.09Å; F411-S414 PolarHBondContact O-OG 2.77Å; F411-S414 VanDerWaalsContact O-OG 3.08Å; F411-I415 HydrophobicContact CD1-CD1 4.47Å; F411-I415 HydrophobicContact CD1-CG2 4.46Å; F411-I415 HydrophobicContact CD2-CG2 3.84Å; F411-I415 HydrophobicContact CE1-CD1 3.92Å; F411-I415 HydrophobicContact CE1-CG2 4.11Å; F411-I415 HydrophobicContact CE2-CG2 3.43Å; F411-I415 VanDerWaalsContact CE2-CG2 3.43Å; F411-I415 HydrophobicContact CG-CG2 4.35Å; F411-I415 HydrophobicContact CZ-CD1 4.23Å; F411-I415 HydrophobicContact CZ-CG2 3.59Å; F411-I415 WeakPolarHBondContact O-CG1 3.49Å; F411-I415 WeakPolarHBondContact O-CG2 3.35Å; F411-I415 PolarHBondContact O-N 3.42Å; F411-I415 VanDerWaalsContact O-N 3.08Å |
| 412 | N | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.3 | -32.4 | -178.1 | -67.8 | -32.3 | 0 | 0 | 0 | 112.9 | T406 D408 H416 N470 M471 Q474 | T406-N412 WeakPolarHBondContact CA-OD1 3.35Å; T406-N412 PolarHBondContact O-ND2 3.49Å; T406-N412 PolarHBondContact O-OD1 2.9Å; D408-N412 VanDerWaalsContact O-CG 3.26Å; D408-N412 PolarHBondContact O-N 3.42Å; D408-N412 VanDerWaalsContact O-N 3.08Å; D408-N412 PolarHBondContact O-ND2 3.14Å; D408-N412 VanDerWaalsContact O-ND2 3.16Å; N412-H416 PolarHBondContact O-CD2 3.2Å; N412-N470 PolarHBondContact ND2-O 3.24Å; N412-M471 VanDerWaalsContact OD1-CG 3.26Å; N412-M471 WeakPolarHBondContact OD1-CG 3.41Å; N412-Q474 HydrophobicContact CB-CB 3.73Å; N412-Q474 HydrophobicContact CB-CG 3.88Å |
| 413 | R | 94.6 | Very high | 95.9 | Very high | 104 Ų | 104 | 42.9 Ų | 42.9 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -74.9 | -47.2 | 173.1 | -73.7 | -173.5 | -66.8 | -87.5 | -4.4 | 112.4 | D409 A410 F411 I415 H416 Q474 | D409-R413 WeakPolarHBondContact O-CG 3.33Å; D409-R413 VanDerWaalsContact O-CZ 3.28Å; D409-R413 PolarHBondContact O-N 3.49Å; D409-R413 PolarHBondContact O-NH1 3.2Å; A410-R413 PolarHBondContact O-N 2.92Å; F411-R413 PolarHBondContact O-N 3.13Å; F411-R413 VanDerWaalsContact O-N 3.15Å; R413-I415 PolarHBondContact O-N 2.74Å; R413-H416 PolarHBondContact O-N 2.75Å; R413-Q474 HydrophobicContact CG-CB 3.88Å; R413-Q474 HydrophobicContact CG-CG 4.08Å |
| 414 | S | 95.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | -171.4 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | A410 F411 H416 E417 V418 | A410-S414 WeakPolarHBondContact O-CB 3.35Å; A410-S414 PolarHBondContact O-N 3.43Å; A410-S414 PolarHBondContact O-OG 3.42Å; F411-S414 PolarHBondContact O-N 3.1Å; F411-S414 VanDerWaalsContact O-N 3.09Å; F411-S414 PolarHBondContact O-OG 2.77Å; F411-S414 VanDerWaalsContact O-OG 3.08Å; S414-H416 PolarHBondContact O-N 2.89Å; S414-H416 VanDerWaalsContact O-N 3.15Å; S414-E417 WeakPolarHBondContact O-CB 3.42Å; S414-E417 PolarHBondContact O-N 3.33Å; S414-V418 PolarHBondContact O-N 3.16Å |
| 415 | I | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.9 | 179.6 | 63.6 | 177.2 | 0 | 0 | 0 | 113.5 | F411 R413 E417 L436 G437 L440 M471 | F411-I415 HydrophobicContact CD1-CD1 4.47Å; F411-I415 HydrophobicContact CD1-CG2 4.46Å; F411-I415 HydrophobicContact CD2-CG2 3.84Å; F411-I415 HydrophobicContact CE1-CD1 3.92Å; F411-I415 HydrophobicContact CE1-CG2 4.11Å; F411-I415 HydrophobicContact CE2-CG2 3.43Å; F411-I415 VanDerWaalsContact CE2-CG2 3.43Å; F411-I415 HydrophobicContact CG-CG2 4.35Å; F411-I415 HydrophobicContact CZ-CD1 4.23Å; F411-I415 HydrophobicContact CZ-CG2 3.59Å; F411-I415 WeakPolarHBondContact O-CG1 3.49Å; F411-I415 WeakPolarHBondContact O-CG2 3.35Å; F411-I415 PolarHBondContact O-N 3.42Å; F411-I415 VanDerWaalsContact O-N 3.08Å; R413-I415 PolarHBondContact O-N 2.74Å; I415-E417 VanDerWaalsContact C-N 3.29Å; I415-L436 HydrophobicContact CB-CD2 4.26Å; I415-L436 HydrophobicContact CB-CG 4.42Å; I415-L436 HydrophobicContact CG2-CD2 4.11Å; I415-L436 WeakPolarHBondContact O-CB 3.47Å; I415-L436 PolarHBondContact O-N 3.3Å; I415-G437 PolarHBondContact O-N 3.29Å; I415-L440 HydrophobicContact CD1-CD1 4.06Å; I415-M471 HydrophobicContact CD1-CE 3.56Å; I415-M471 HydrophobicContact CD1-SD 4.33Å |
| 416 | H | 96.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -15.3 | 174.4 | -75.8 | -66.1 | 0 | 0 | 0 | 113.1 | N412 R413 S414 S435 F475 R476 | N412-H416 PolarHBondContact O-CD2 3.2Å; R413-H416 PolarHBondContact O-N 2.75Å; S414-H416 PolarHBondContact O-N 2.89Å; S414-H416 VanDerWaalsContact O-N 3.15Å; H416-S435 WeakPolarHBondContact O-CB 3.47Å; H416-F475 AromaticContact NE2-CD1 3.72Å; H416-R476 HydrophobicContact CB-CB 3.87Å; H416-R476 PolarHBondContact ND1-O 3.3Å |
| 417 | E | 95.1 | Very high | 95.2 | Very high | 120 Ų | 120 | 54.5 Ų | 54.5 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -19 | 178.8 | -58.8 | -179.2 | 168.2 | 0 | 0 | 112 | S414 I415 V419 R476 | S414-E417 WeakPolarHBondContact O-CB 3.42Å; S414-E417 PolarHBondContact O-N 3.33Å; I415-E417 VanDerWaalsContact C-N 3.29Å; E417-V419 PolarHBondContact O-N 2.71Å; E417-R476 IonicContact OE1-NH1 3.79Å; E417-R476 PolarHBondContact OE1-NH1 3.44Å |
| 418 | V | 95.9 | Very high | 95 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | trans | -78.9 | 109.4 | 176 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | D374 S414 L420 S435 L436 | D374-V418 HydrophobicContact CB-CG1 3.91Å; S414-V418 PolarHBondContact O-N 3.16Å; V418-L420 HydrophobicContact CG1-CD2 4.31Å; V418-S435 CarbonylContact O-C 3.58Å; V418-S435 WeakPolarHBondContact O-CA 3.37Å; V418-L436 HydrophobicContact CB-CB 4.13Å; V418-L436 HydrophobicContact CG1-CB 4.36Å; V418-L436 PolarHBondContact O-N 3.21Å | ||
| 419 | V | 96.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.3 | -179.1 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | E417 E433 | E417-V419 PolarHBondContact O-N 2.71Å; V419-E433 HydrophobicContact CG1-CG 3.44Å; V419-E433 VanDerWaalsContact CG1-CG 3.44Å; V419-E433 WeakPolarHBondContact CG1-OE1 3.47Å |
| 420 | L | 96.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 146.9 | 176.9 | -52.8 | 172.6 | 0 | 0 | 0 | 110.5 | D374 L378 V418 I423 E433 I434 L436 L439 | D374-L420 HydrophobicContact CB-CD2 3.98Å; L378-L420 HydrophobicContact CD1-CD1 3.93Å; V418-L420 HydrophobicContact CG1-CD2 4.31Å; L420-I423 HydrophobicContact CB-CD1 3.81Å; L420-I423 HydrophobicContact CD1-CD1 3.97Å; L420-E433 WeakPolarHBondContact O-CA 3.47Å; L420-I434 HydrophobicContact CB-CG2 4.46Å; L420-I434 WeakPolarHBondContact CB-O 3.16Å; L420-I434 PolarHBondContact N-O 2.88Å; L420-I434 PolarHBondContact O-N 3.25Å; L420-L436 HydrophobicContact CD1-CB 4.04Å; L420-L436 HydrophobicContact CD1-CD1 3.86Å; L420-L436 HydrophobicContact CG-CB 4.31Å; L420-L439 HydrophobicContact CD1-CD2 3.64Å |
| 421 | K | 94.8 | Very high | 94.6 | Very high | 152 Ų | 152 | 58 Ų | 58 | 66% | 0.661 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.1 | 179.1 | -63 | -178.3 | -178.7 | 179 | 0 | 110.4 | T432 | K421-T432 WeakPolarHBondContact CA-O 2.98Å |
| 422 | N | 90.3 | Very high | 94.4 | Very high | 122 Ų | 122 | 62.3 Ų | 62.3 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 69.9 | 172.1 | -57.5 | -40 | 0 | 0 | 0 | 114.3 | S424 L431 T432 | N422-S424 PolarHBondContact O-N 3.19Å; N422-L431 WeakPolarHBondContact CA-O 3.34Å; N422-T432 PolarHBondContact N-O 2.9Å |
| 423 | I | 94.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 109.4 | 173.1 | -50.8 | -57.1 | 0 | 0 | 0 | 109.1 | L378 L420 W425 L431 I434 L439 | L378-I423 HydrophobicContact CD1-CD1 4.4Å; L420-I423 HydrophobicContact CB-CD1 3.81Å; L420-I423 HydrophobicContact CD1-CD1 3.97Å; I423-W425 HydrophobicContact CG2-CD2 3.83Å; I423-W425 HydrophobicContact CG2-CE3 4.32Å; I423-W425 HydrophobicContact CG2-CG 4.26Å; I423-W425 HydrophobicContact CG2-CH2 4.32Å; I423-W425 HydrophobicContact CG2-CZ2 3.84Å; I423-L431 HydrophobicContact CB-CB 4.25Å; I423-L431 HydrophobicContact CG1-CB 4.34Å; I423-L431 PolarHBondContact N-O 3.44Å; I423-L431 VanDerWaalsContact N-O 3.14Å; I423-I434 HydrophobicContact CG1-CG2 4Å; I423-L439 HydrophobicContact CD1-CD2 4Å; I423-L439 HydrophobicContact CG1-CD2 4.11Å; I423-L439 HydrophobicContact CG2-CD2 4.48Å |
| 424 | S | 93.3 | Very high | 94.4 | Very high | 112 Ų | 112 | 63 Ų | 63 | 78% | 0.783 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -83.9 | -29.3 | -173.7 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | N422 | N422-S424 PolarHBondContact O-N 3.19Š|
| 425 | W | 94.5 | Very high | 94.5 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 11% | 0.106 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -83.7 | -17.7 | -176.1 | 52.3 | -107.4 | 0 | 0 | 0 | 113.8 | L378 L381 E382 Y385 I423 T427 L439 V443 | L378-W425 HydrophobicContact CD1-CZ2 3.83Å; L381-W425 HydrophobicContact CB-CH2 4.22Å; L381-W425 HydrophobicContact CB-CZ2 4.49Å; E382-W425 HydrophobicContact CG-CD2 4.37Å; E382-W425 HydrophobicContact CG-CG 4.27Å; Y385-W425 AromaticContact CD1-CE3 3.77Å; Y385-W425 HydrophobicContact CD1-CE3 3.77Å; Y385-W425 HydrophobicContact CD1-CZ3 4.17Å; Y385-W425 HydrophobicContact CD2-CE3 4.06Å; Y385-W425 AromaticContact CD2-CZ3 3.71Å; Y385-W425 HydrophobicContact CD2-CZ3 3.71Å; Y385-W425 HydrophobicContact CE1-CE3 4.21Å; Y385-W425 WeakPolarHBondContact CE1-O 3.34Å; Y385-W425 HydrophobicContact CE2-CE3 4.46Å; Y385-W425 HydrophobicContact CE2-CZ3 4.38Å; Y385-W425 AromaticContact CG-CE3 3.69Å; Y385-W425 HydrophobicContact CG-CE3 3.69Å; Y385-W425 AromaticContact CG-CZ3 3.58Å; Y385-W425 HydrophobicContact CG-CZ3 3.58Å; Y385-W425 PolarHBondContact OH-O 3Å; I423-W425 HydrophobicContact CG2-CD2 3.83Å; I423-W425 HydrophobicContact CG2-CE3 4.32Å; I423-W425 HydrophobicContact CG2-CG 4.26Å; I423-W425 HydrophobicContact CG2-CH2 4.32Å; I423-W425 HydrophobicContact CG2-CZ2 3.84Å; W425-T427 PolarHBondContact O-N 2.85Å; W425-L439 HydrophobicContact CH2-CD1 4.03Å; W425-L439 HydrophobicContact CH2-CD2 4.07Å; W425-L439 HydrophobicContact CH2-CG 4.23Å; W425-L439 HydrophobicContact CZ2-CD2 3.93Å; W425-V443 HydrophobicContact CH2-CG2 3.85Å; W425-V443 HydrophobicContact CZ3-CG2 4.02Å |
| 426 | Y | 95.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -81.6 | 114.3 | 176.8 | -170.5 | -83.5 | 0 | 0 | 0 | 110.3 | Y385 E428 R429 L431 L439 L442 Y481 | Y385-Y426 AromaticContact CD2-CD2 3.99Å; Y385-Y426 HydrophobicContact CD2-CD2 3.99Å; Y385-Y426 HydrophobicContact CD2-CE2 4.38Å; Y385-Y426 AromaticContact CE2-CD2 3.62Å; Y385-Y426 HydrophobicContact CE2-CD2 3.62Å; Y385-Y426 AromaticContact CE2-CE2 3.98Å; Y385-Y426 HydrophobicContact CE2-CE2 3.98Å; Y385-Y426 HydrophobicContact CE2-CG 4.26Å; Y426-E428 HydrophobicContact CE1-CB 3.86Å; Y426-E428 WeakPolarHBondContact CE1-OE2 3.47Å; Y426-E428 VanDerWaalsContact CZ-OE2 3.31Å; Y426-R429 WeakPolarHBondContact CD1-O 3.39Å; Y426-R429 HydrophobicContact CE1-CB 4.35Å; Y426-L431 HydrophobicContact CD1-CD1 3.63Å; Y426-L431 HydrophobicContact CD1-CG 3.97Å; Y426-L431 HydrophobicContact CD2-CD1 4.33Å; Y426-L431 HydrophobicContact CE1-CD1 4.16Å; Y426-L431 HydrophobicContact CE1-CG 4.5Å; Y426-L431 HydrophobicContact CG-CD1 3.74Å; Y426-L431 HydrophobicContact CG-CG 4.48Å; Y426-L439 HydrophobicContact CD2-CD1 4.41Å; Y426-L442 HydrophobicContact CE2-CB 4.2Å; Y426-Y481 AromaticContact CE1-CE1 3.83Å; Y426-Y481 HydrophobicContact CE1-CE1 3.83Å; Y426-Y481 AromaticContact CZ-CE1 3.97Å; Y426-Y481 WeakPolarHBondContact OH-CE1 3.3Å; Y426-Y481 PolarHBondContact OH-OH 3.23Å | ||
| 427 | T | 93.4 | Very high | 94.7 | Very high | 109 Ų | 109 | 61.2 Ų | 61.2 | 67% | 0.669 | 33% | 0.329 | S | S | * | . | trans | -102.4 | -19.4 | -164.9 | 65 | 0 | 0 | 0 | 0 | 114.6 | Y385 W425 R429 | Y385-T427 PolarHBondContact OH-N 3.26Å; Y385-T427 PolarHBondContact OH-OG1 3.38Å; W425-T427 PolarHBondContact O-N 2.85Å; T427-R429 PolarHBondContact O-N 3.5Å | ||
| 428 | E | 93.1 | Very high | 94.8 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -70.5 | -21.2 | -177.2 | -58.9 | 97.6 | 128.1 | 0 | 0 | 113.4 | Y385 Y426 R446 | Y385-E428 WeakPolarHBondContact CE2-OE2 3.24Å; Y385-E428 PolarHBondContact OH-OE2 3.33Å; Y426-E428 HydrophobicContact CE1-CB 3.86Å; Y426-E428 WeakPolarHBondContact CE1-OE2 3.47Å; Y426-E428 VanDerWaalsContact CZ-OE2 3.31Å; E428-R446 WeakPolarHBondContact OE1-CD 3.37Å; E428-R446 IonicContact OE1-CZ 3.48Å; E428-R446 IonicContact OE1-NE 3.92Å; E428-R446 IonicContact OE1-NH1 2.93Å; E428-R446 PolarHBondContact OE1-NH1 3.25Å; E428-R446 IonicContact OE2-NH1 3.61Å; E428-R446 PolarHBondContact OE2-NH1 3.32Å |
| 429 | R | 92.9 | Very high | 94.9 | Very high | 102 Ų | 102 | 54.1 Ų | 54.1 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -159.5 | 140.5 | 176.7 | -173.5 | 173.7 | 179.7 | 162.2 | 0.2 | 110 | Y426 T427 L431 Y481 | Y426-R429 WeakPolarHBondContact CD1-O 3.39Å; Y426-R429 HydrophobicContact CE1-CB 4.35Å; T427-R429 PolarHBondContact O-N 3.5Å; R429-L431 PolarHBondContact O-N 3.07Å; R429-Y481 HydrophobicContact CB-CD1 4.42Å; R429-Y481 HydrophobicContact CB-CE1 3.92Å |
| 430 | S | 92.1 | Very high | 95 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 70% | 0.699 | 27% | 0.271 | S | S | * | . | trans | -64.3 | 119.9 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 431 | L | 93.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 90.1 | 179.4 | -59 | -179.3 | 0 | 0 | 0 | 109.4 | N422 I423 Y426 R429 I434 L439 L442 Y481 | N422-L431 WeakPolarHBondContact CA-O 3.34Å; I423-L431 HydrophobicContact CB-CB 4.25Å; I423-L431 HydrophobicContact CG1-CB 4.34Å; I423-L431 PolarHBondContact N-O 3.44Å; I423-L431 VanDerWaalsContact N-O 3.14Å; Y426-L431 HydrophobicContact CD1-CD1 3.63Å; Y426-L431 HydrophobicContact CD1-CG 3.97Å; Y426-L431 HydrophobicContact CD2-CD1 4.33Å; Y426-L431 HydrophobicContact CE1-CD1 4.16Å; Y426-L431 HydrophobicContact CE1-CG 4.5Å; Y426-L431 HydrophobicContact CG-CD1 3.74Å; Y426-L431 HydrophobicContact CG-CG 4.48Å; R429-L431 PolarHBondContact O-N 3.07Å; L431-I434 HydrophobicContact CB-CG2 4.33Å; L431-I434 HydrophobicContact CD1-CD1 4.09Å; L431-I434 HydrophobicContact CD1-CG2 4.48Å; L431-I434 HydrophobicContact CD2-CD1 4.37Å; L431-L439 HydrophobicContact CD1-CD1 3.9Å; L431-L442 HydrophobicContact CD1-CD1 4.07Å; L431-L442 HydrophobicContact CD2-CD1 4.49Å; L431-Y481 HydrophobicContact CD2-CD1 4.07Å |
| 432 | T | 91.3 | Very high | 95.3 | Very high | 92 Ų | 92 | 42.5 Ų | 42.5 | 56% | 0.564 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -42.3 | -179.5 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | K421 N422 | K421-T432 WeakPolarHBondContact CA-O 2.98Å; N422-T432 PolarHBondContact N-O 2.9Å |
| 433 | E | 95.4 | Very high | 95.6 | Very high | 114 Ų | 114 | 36.7 Ų | 36.7 | 53% | 0.533 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 122.3 | 179.1 | -171.3 | 171.6 | -145.7 | 0 | 0 | 109.5 | V419 L420 H479 | V419-E433 HydrophobicContact CG1-CG 3.44Å; V419-E433 VanDerWaalsContact CG1-CG 3.44Å; V419-E433 WeakPolarHBondContact CG1-OE1 3.47Å; L420-E433 WeakPolarHBondContact O-CA 3.47Å; E433-H479 PolarHBondContact O-CD2 3.43Å |
| 434 | I | 97.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 140.1 | -178.6 | -170.3 | 168 | 0 | 0 | 0 | 110.2 | L420 I423 L431 L439 L442 H479 | L420-I434 HydrophobicContact CB-CG2 4.46Å; L420-I434 WeakPolarHBondContact CB-O 3.16Å; L420-I434 PolarHBondContact N-O 2.88Å; L420-I434 PolarHBondContact O-N 3.25Å; I423-I434 HydrophobicContact CG1-CG2 4Å; L431-I434 HydrophobicContact CB-CG2 4.33Å; L431-I434 HydrophobicContact CD1-CD1 4.09Å; L431-I434 HydrophobicContact CD1-CG2 4.48Å; L431-I434 HydrophobicContact CD2-CD1 4.37Å; I434-L439 HydrophobicContact CD1-CB 4.3Å; I434-L439 HydrophobicContact CG2-CB 4.41Å; I434-L442 HydrophobicContact CD1-CD1 3.55Å; I434-H479 HydrophobicContact CD1-CB 4.2Å; I434-H479 HydrophobicContact CG1-CB 3.98Å |
| 435 | S | 97.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 145 | 170.6 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | H416 V418 G437 S438 L439 | H416-S435 WeakPolarHBondContact O-CB 3.47Å; V418-S435 CarbonylContact O-C 3.58Å; V418-S435 WeakPolarHBondContact O-CA 3.37Å; S435-G437 VanDerWaalsContact C-N 3.25Å; S435-G437 PolarHBondContact O-N 3.22Å; S435-S438 PolarHBondContact O-N 2.97Å; S435-S438 WeakPolarHBondContact OG-CB 3.29Å; S435-S438 PolarHBondContact OG-N 3.49Å; S435-S438 PolarHBondContact OG-OG 3.44Å; S435-L439 PolarHBondContact O-N 3.29Å |
| 436 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -52.8 | -42 | 173.8 | 177 | 66 | 0 | 0 | 0 | 112.1 | D374 V377 L381 I415 V418 L420 S438 L439 L440 | D374-L436 HydrophobicContact CB-CD2 4.15Å; V377-L436 HydrophobicContact CB-CD1 4.23Å; V377-L436 HydrophobicContact CB-CD2 4.06Å; V377-L436 HydrophobicContact CG1-CD1 3.92Å; V377-L436 HydrophobicContact CG1-CD2 4.26Å; V377-L436 HydrophobicContact CG1-CG 4.27Å; V377-L436 HydrophobicContact CG2-CD2 4.5Å; L381-L436 HydrophobicContact CD1-CD1 3.98Å; I415-L436 HydrophobicContact CB-CD2 4.26Å; I415-L436 HydrophobicContact CB-CG 4.42Å; I415-L436 HydrophobicContact CG2-CD2 4.11Å; I415-L436 WeakPolarHBondContact O-CB 3.47Å; I415-L436 PolarHBondContact O-N 3.3Å; V418-L436 HydrophobicContact CB-CB 4.13Å; V418-L436 HydrophobicContact CG1-CB 4.36Å; V418-L436 PolarHBondContact O-N 3.21Å; L420-L436 HydrophobicContact CD1-CB 4.04Å; L420-L436 HydrophobicContact CD1-CD1 3.86Å; L420-L436 HydrophobicContact CG-CB 4.31Å; L436-S438 PolarHBondContact O-N 2.95Å; L436-L439 WeakPolarHBondContact O-CB 3.28Å; L436-L439 PolarHBondContact O-N 3.09Å; L436-L439 VanDerWaalsContact O-N 3.15Å; L436-L440 PolarHBondContact O-N 3.45Å |
| 437 | G | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I415 S435 L440 I441 | I415-G437 PolarHBondContact O-N 3.29Å; S435-G437 VanDerWaalsContact C-N 3.25Å; S435-G437 PolarHBondContact O-N 3.22Å; G437-L440 PolarHBondContact O-N 3.03Å; G437-I441 WeakPolarHBondContact O-CD1 3.37Å; G437-I441 VanDerWaalsContact O-CG1 3.3Å; G437-I441 WeakPolarHBondContact O-CG1 3.45Å; G437-I441 PolarHBondContact O-N 3.3Å; G437-I441 VanDerWaalsContact O-N 3.14Å |
| 438 | S | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.9 | -35.2 | 173.3 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | S435 L436 L442 H479 | S435-S438 PolarHBondContact O-N 2.97Å; S435-S438 WeakPolarHBondContact OG-CB 3.29Å; S435-S438 PolarHBondContact OG-N 3.49Å; S435-S438 PolarHBondContact OG-OG 3.44Å; L436-S438 PolarHBondContact O-N 2.95Å; S438-L442 WeakPolarHBondContact O-CG 3.35Å; S438-L442 PolarHBondContact O-N 3.3Å; S438-L442 VanDerWaalsContact O-N 3.12Å; S438-H479 PolarHBondContact OG-N 3.49Å |
| 439 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 175.4 | -178.7 | 62.9 | 0 | 0 | 0 | 111.3 | L378 L381 L420 I423 W425 Y426 L431 I434 S435 L436 I441 L442 V443 | L378-L439 HydrophobicContact CD1-CD2 3.59Å; L381-L439 HydrophobicContact CD1-CB 4.45Å; L381-L439 HydrophobicContact CD1-CD2 4.19Å; L381-L439 HydrophobicContact CD1-CG 4.03Å; L420-L439 HydrophobicContact CD1-CD2 3.64Å; I423-L439 HydrophobicContact CD1-CD2 4Å; I423-L439 HydrophobicContact CG1-CD2 4.11Å; I423-L439 HydrophobicContact CG2-CD2 4.48Å; W425-L439 HydrophobicContact CH2-CD1 4.03Å; W425-L439 HydrophobicContact CH2-CD2 4.07Å; W425-L439 HydrophobicContact CH2-CG 4.23Å; W425-L439 HydrophobicContact CZ2-CD2 3.93Å; Y426-L439 HydrophobicContact CD2-CD1 4.41Å; L431-L439 HydrophobicContact CD1-CD1 3.9Å; I434-L439 HydrophobicContact CD1-CB 4.3Å; I434-L439 HydrophobicContact CG2-CB 4.41Å; S435-L439 PolarHBondContact O-N 3.29Å; L436-L439 WeakPolarHBondContact O-CB 3.28Å; L436-L439 PolarHBondContact O-N 3.09Å; L436-L439 VanDerWaalsContact O-N 3.15Å; L439-I441 VanDerWaalsContact C-N 3.31Å; L439-I441 PolarHBondContact O-N 3.42Å; L439-L442 WeakPolarHBondContact O-CB 3.21Å; L439-L442 PolarHBondContact O-N 3.26Å; L439-L442 VanDerWaalsContact O-N 3.11Å; L439-V443 HydrophobicContact CD1-CG2 4.44Å; L439-V443 WeakPolarHBondContact O-CG2 3.41Å; L439-V443 PolarHBondContact O-N 3.09Å |
| 440 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.4 | -49.5 | 173.9 | -176 | 165.5 | 0 | 0 | 0 | 110.5 | L381 L402 I415 L436 G437 L442 V443 V444 M471 | L381-L440 HydrophobicContact CD1-CB 4.06Å; L381-L440 HydrophobicContact CD2-CB 4.05Å; L381-L440 HydrophobicContact CD2-CG 3.92Å; L402-L440 HydrophobicContact CD2-CD1 4.29Å; I415-L440 HydrophobicContact CD1-CD1 4.06Å; L436-L440 PolarHBondContact O-N 3.45Å; G437-L440 PolarHBondContact O-N 3.03Å; L440-L442 VanDerWaalsContact C-N 3.31Å; L440-L442 PolarHBondContact O-N 3.02Å; L440-V443 PolarHBondContact O-N 3.25Å; L440-V444 HydrophobicContact CD2-CG2 3.76Å; L440-V444 WeakPolarHBondContact O-CG2 3.26Å; L440-V444 PolarHBondContact O-N 2.84Å; L440-M471 HydrophobicContact CD1-CE 4.28Å; L440-M471 HydrophobicContact CD1-SD 3.9Å; L440-M471 HydrophobicContact CD2-CE 3.93Å; L440-M471 HydrophobicContact CD2-SD 3.33Å; L440-M471 WeakPolarHBondContact CD2-SD 3.21Å; L440-M471 HydrophobicContact CG-SD 4.21Å |
| 441 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 177.3 | -67.4 | 163.1 | 0 | 0 | 0 | 111.4 | G437 L439 I445 L468 M471 F475 L478 I486 | G437-I441 WeakPolarHBondContact O-CD1 3.37Å; G437-I441 VanDerWaalsContact O-CG1 3.3Å; G437-I441 WeakPolarHBondContact O-CG1 3.45Å; G437-I441 PolarHBondContact O-N 3.3Å; G437-I441 VanDerWaalsContact O-N 3.14Å; L439-I441 VanDerWaalsContact C-N 3.31Å; L439-I441 PolarHBondContact O-N 3.42Å; I441-I445 HydrophobicContact CG2-CD1 3.65Å; I441-I445 HydrophobicContact CG2-CG1 4.34Å; I441-I445 WeakPolarHBondContact O-CB 3.39Å; I441-I445 WeakPolarHBondContact O-CG1 3.46Å; I441-I445 PolarHBondContact O-N 3.37Å; I441-L468 HydrophobicContact CB-CD2 4.26Å; I441-L468 HydrophobicContact CG1-CD2 3.96Å; I441-L468 HydrophobicContact CG2-CD2 4.17Å; I441-M471 HydrophobicContact CD1-CE 4.34Å; I441-M471 HydrophobicContact CG1-CE 4.06Å; I441-F475 HydrophobicContact CD1-CD1 3.84Å; I441-F475 HydrophobicContact CD1-CE1 3.42Å; I441-F475 VanDerWaalsContact CD1-CE1 3.42Å; I441-F475 HydrophobicContact CD1-CE2 4.4Å; I441-F475 HydrophobicContact CD1-CG 4.48Å; I441-F475 HydrophobicContact CD1-CZ 3.75Å; I441-F475 HydrophobicContact CG1-CE1 3.97Å; I441-F475 HydrophobicContact CG1-CZ 4.18Å; I441-L478 HydrophobicContact CD1-CD2 3.39Å; I441-I486 HydrophobicContact CG2-CD1 4.05Å; I441-I486 HydrophobicContact CG2-CG1 3.89Å |
| 442 | L | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 178.4 | -73.9 | 174.9 | 0 | 0 | 0 | 112.1 | Y426 L431 I434 S438 L439 L440 R446 Y481 A482 R485 | Y426-L442 HydrophobicContact CE2-CB 4.2Å; L431-L442 HydrophobicContact CD1-CD1 4.07Å; L431-L442 HydrophobicContact CD2-CD1 4.49Å; I434-L442 HydrophobicContact CD1-CD1 3.55Å; S438-L442 WeakPolarHBondContact O-CG 3.35Å; S438-L442 PolarHBondContact O-N 3.3Å; S438-L442 VanDerWaalsContact O-N 3.12Å; L439-L442 WeakPolarHBondContact O-CB 3.21Å; L439-L442 PolarHBondContact O-N 3.26Å; L439-L442 VanDerWaalsContact O-N 3.11Å; L440-L442 VanDerWaalsContact C-N 3.31Å; L440-L442 PolarHBondContact O-N 3.02Å; L442-R446 WeakPolarHBondContact O-CB 3.43Å; L442-R446 PolarHBondContact O-N 2.87Å; L442-Y481 HydrophobicContact CD1-CD1 3.72Å; L442-Y481 HydrophobicContact CD1-CE1 4.03Å; L442-Y481 HydrophobicContact CD2-CD1 3.73Å; L442-Y481 HydrophobicContact CD2-CE1 3.79Å; L442-Y481 HydrophobicContact CD2-CG 4.49Å; L442-Y481 HydrophobicContact CG-CD1 4.41Å; L442-A482 HydrophobicContact CD2-CB 4.11Å; L442-A482 HydrophobicContact CG-CB 4.04Å; L442-R485 HydrophobicContact CD2-CB 3.84Å; L442-R485 HydrophobicContact CD2-CG 3.61Å |
| 443 | V | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.7 | -48.9 | 179.2 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | L381 L384 W425 L439 L440 I445 R446 T447 | L381-V443 HydrophobicContact CB-CG1 4.47Å; L381-V443 HydrophobicContact CB-CG2 4.25Å; L381-V443 HydrophobicContact CD2-CB 4.26Å; L381-V443 HydrophobicContact CD2-CG1 4.28Å; L381-V443 WeakPolarHBondContact O-CG1 3.48Å; L384-V443 HydrophobicContact CB-CG1 3.74Å; W425-V443 HydrophobicContact CH2-CG2 3.85Å; W425-V443 HydrophobicContact CZ3-CG2 4.02Å; L439-V443 HydrophobicContact CD1-CG2 4.44Å; L439-V443 WeakPolarHBondContact O-CG2 3.41Å; L439-V443 PolarHBondContact O-N 3.09Å; L440-V443 PolarHBondContact O-N 3.25Å; V443-I445 VanDerWaalsContact C-N 3.33Å; V443-I445 PolarHBondContact O-N 3.29Å; V443-R446 WeakPolarHBondContact O-CA 3.48Å; V443-R446 WeakPolarHBondContact O-CB 3.07Å; V443-R446 PolarHBondContact O-N 2.95Å; V443-T447 PolarHBondContact O-N 3.19Å; V443-T447 PolarHBondContact O-OG1 3.13Å |
| 444 | V | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | L402 L440 R446 T447 I448 C464 L468 | L402-V444 HydrophobicContact CD1-CG2 4.39Å; L440-V444 HydrophobicContact CD2-CG2 3.76Å; L440-V444 WeakPolarHBondContact O-CG2 3.26Å; L440-V444 PolarHBondContact O-N 2.84Å; V444-R446 PolarHBondContact O-N 3.49Å; V444-T447 PolarHBondContact O-N 3.34Å; V444-I448 HydrophobicContact CG1-CD1 4.18Å; V444-I448 WeakPolarHBondContact O-CG1 3.44Å; V444-I448 PolarHBondContact O-N 3.34Å; V444-C464 HydrophobicContact CG1-CB 3.65Å; V444-C464 WeakPolarHBondContact CG1-O 3.38Å; V444-L468 HydrophobicContact CB-CD2 4.23Å; V444-L468 HydrophobicContact CB-CG 4.29Å; V444-L468 HydrophobicContact CG1-CD1 3.85Å; V444-L468 HydrophobicContact CG1-CD2 4.17Å; V444-L468 HydrophobicContact CG1-CG 3.68Å |
| 445 | I | 95.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 173.3 | -73.2 | 171.8 | 0 | 0 | 0 | 111.4 | I441 V443 T447 I448 Q449 L468 R485 I486 L489 | I441-I445 HydrophobicContact CG2-CD1 3.65Å; I441-I445 HydrophobicContact CG2-CG1 4.34Å; I441-I445 WeakPolarHBondContact O-CB 3.39Å; I441-I445 WeakPolarHBondContact O-CG1 3.46Å; I441-I445 PolarHBondContact O-N 3.37Å; V443-I445 VanDerWaalsContact C-N 3.33Å; V443-I445 PolarHBondContact O-N 3.29Å; I445-T447 VanDerWaalsContact C-N 3.32Å; I445-I448 PolarHBondContact O-N 3.41Å; I445-Q449 HydrophobicContact CG2-CG 4.47Å; I445-Q449 VanDerWaalsContact O-CG 3.29Å; I445-Q449 WeakPolarHBondContact O-CG 3.42Å; I445-Q449 PolarHBondContact O-N 2.91Å; I445-L468 HydrophobicContact CG1-CD1 4.29Å; I445-R485 HydrophobicContact CD1-CB 4.18Å; I445-R485 HydrophobicContact CG2-CB 4.47Å; I445-I486 HydrophobicContact CD1-CB 4.33Å; I445-I486 HydrophobicContact CD1-CG1 3.69Å; I445-L489 HydrophobicContact CB-CD2 4.42Å; I445-L489 HydrophobicContact CG1-CD2 3.99Å; I445-L489 HydrophobicContact CG2-CB 4.1Å; I445-L489 HydrophobicContact CG2-CD2 4.12Å |
| 446 | R | 94.3 | Very high | 91.4 | Very high | 59 Ų | 59 | 33 Ų | 33 | 22% | 0.223 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.8 | 179.3 | -169.9 | 164.8 | 107.5 | -3.8 | 110.6 | Y385 E428 L442 V443 V444 I448 Q449 F450 | Y385-R446 VanDerWaalsContact CD2-CD 3.46Å; Y385-R446 VanDerWaalsContact CE2-CD 3.48Å; Y385-R446 PolarHBondContact OH-NH1 3.44Å; E428-R446 WeakPolarHBondContact OE1-CD 3.37Å; E428-R446 IonicContact OE1-CZ 3.48Å; E428-R446 IonicContact OE1-NE 3.92Å; E428-R446 IonicContact OE1-NH1 2.93Å; E428-R446 PolarHBondContact OE1-NH1 3.25Å; E428-R446 IonicContact OE2-NH1 3.61Å; E428-R446 PolarHBondContact OE2-NH1 3.32Å; L442-R446 WeakPolarHBondContact O-CB 3.43Å; L442-R446 PolarHBondContact O-N 2.87Å; V443-R446 WeakPolarHBondContact O-CA 3.48Å; V443-R446 WeakPolarHBondContact O-CB 3.07Å; V443-R446 PolarHBondContact O-N 2.95Å; V444-R446 PolarHBondContact O-N 3.49Å; R446-I448 PolarHBondContact O-N 3Å; R446-Q449 WeakPolarHBondContact O-CB 3.07Å; R446-Q449 PolarHBondContact O-N 2.92Å; R446-Q449 VanDerWaalsContact O-N 3.15Å; R446-F450 WeakPolarHBondContact O-CB 3.36Å; R446-F450 PolarHBondContact O-N 3.41Å |
| 447 | T | 93.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | L384 V443 V444 I445 F450 N451 L460 | L384-T447 PolarHBondContact O-OG1 3.24Å; V443-T447 PolarHBondContact O-N 3.19Å; V443-T447 PolarHBondContact O-OG1 3.13Å; V444-T447 PolarHBondContact O-N 3.34Å; I445-T447 VanDerWaalsContact C-N 3.32Å; T447-F450 PolarHBondContact O-N 3.15Å; T447-N451 VanDerWaalsContact O-CB 3.31Å; T447-N451 WeakPolarHBondContact O-CB 3.46Å; T447-N451 PolarHBondContact O-N 2.94Å; T447-L460 HydrophobicContact CG2-CD1 4.48Å; T447-L460 HydrophobicContact CG2-CD2 3.74Å; T447-L460 HydrophobicContact CG2-CG 4.38Å |
| 448 | I | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 171 | -66 | 165.7 | 0 | 0 | 0 | 110.8 | V444 I445 R446 F450 N451 M452 H461 C464 L465 L468 L489 | V444-I448 HydrophobicContact CG1-CD1 4.18Å; V444-I448 WeakPolarHBondContact O-CG1 3.44Å; V444-I448 PolarHBondContact O-N 3.34Å; I445-I448 PolarHBondContact O-N 3.41Å; R446-I448 PolarHBondContact O-N 3Å; I448-F450 PolarHBondContact O-N 3.47Å; I448-N451 PolarHBondContact O-N 3.23Å; I448-M452 HydrophobicContact CG2-CG 4.27Å; I448-M452 HydrophobicContact CG2-SD 4.22Å; I448-M452 WeakPolarHBondContact O-CB 3.21Å; I448-M452 VanDerWaalsContact O-CG 3.3Å; I448-M452 WeakPolarHBondContact O-CG 3.46Å; I448-M452 PolarHBondContact O-N 3.5Å; I448-H461 PolarHBondContact O-CE1 2.9Å; I448-C464 HydrophobicContact CD1-CB 3.85Å; I448-C464 HydrophobicContact CG1-CB 3.47Å; I448-C464 VanDerWaalsContact CG1-CB 3.47Å; I448-L465 HydrophobicContact CD1-CD2 4Å; I448-L465 HydrophobicContact CD1-CG 4.33Å; I448-L468 HydrophobicContact CD1-CD1 3.82Å; I448-L489 HydrophobicContact CB-CD2 4.49Å; I448-L489 HydrophobicContact CD1-CD2 4.13Å; I448-L489 HydrophobicContact CG2-CD1 4.05Å; I448-L489 HydrophobicContact CG2-CD2 4.21Å |
| 449 | Q | 90.3 | Very high | 89.9 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | -179.4 | -72.2 | 175.7 | -4 | 0 | 0 | 112.4 | I445 R446 M452 T453 L489 L492 | I445-Q449 HydrophobicContact CG2-CG 4.47Å; I445-Q449 VanDerWaalsContact O-CG 3.29Å; I445-Q449 WeakPolarHBondContact O-CG 3.42Å; I445-Q449 PolarHBondContact O-N 2.91Å; R446-Q449 WeakPolarHBondContact O-CB 3.07Å; R446-Q449 PolarHBondContact O-N 2.92Å; R446-Q449 VanDerWaalsContact O-N 3.15Å; Q449-M452 PolarHBondContact O-N 3.03Å; Q449-T453 WeakPolarHBondContact O-CG2 3.48Å; Q449-T453 PolarHBondContact O-N 2.83Å; Q449-T453 PolarHBondContact O-OG1 2.83Å; Q449-L489 HydrophobicContact CG-CD1 3.83Å; Q449-L492 HydrophobicContact CG-CD2 3.96Å |
| 450 | F | 88.5 | Confident | 89.4 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -51.4 | 174.9 | 177 | -97.2 | 0 | 0 | 0 | 110.3 | V387 E388 R446 T447 I448 M452 T453 R454 T455 | V387-F450 HydrophobicContact CG1-CD1 3.55Å; V387-F450 HydrophobicContact CG1-CD2 4.41Å; V387-F450 HydrophobicContact CG1-CE1 3.74Å; V387-F450 HydrophobicContact CG1-CG 3.91Å; V387-F450 HydrophobicContact CG1-CZ 4.26Å; V387-F450 HydrophobicContact CG2-CD1 4.33Å; V387-F450 HydrophobicContact CG2-CE1 4.16Å; E388-F450 VanDerWaalsContact CD-CE2 3.49Å; E388-F450 HydrophobicContact CG-CD2 4.13Å; E388-F450 HydrophobicContact CG-CE1 4.47Å; E388-F450 HydrophobicContact CG-CE2 3.26Å; E388-F450 HydrophobicContact CG-CZ 3.47Å; E388-F450 VanDerWaalsContact CG-CZ 3.47Å; E388-F450 WeakPolarHBondContact OE1-CD2 3.47Å; E388-F450 WeakPolarHBondContact OE1-CE2 3.44Å; R446-F450 WeakPolarHBondContact O-CB 3.36Å; R446-F450 PolarHBondContact O-N 3.41Å; T447-F450 PolarHBondContact O-N 3.15Å; I448-F450 PolarHBondContact O-N 3.47Å; F450-M452 VanDerWaalsContact C-N 3.31Å; F450-M452 PolarHBondContact O-N 2.79Å; F450-T453 PolarHBondContact O-N 3.29Å; F450-T453 VanDerWaalsContact O-N 3.11Å; F450-T453 PolarHBondContact O-OG1 2.95Å; F450-T453 VanDerWaalsContact O-OG1 3.04Å; F450-R454 HydrophobicContact CD2-CB 4.45Å; F450-R454 HydrophobicContact CD2-CG 3.96Å; F450-R454 HydrophobicContact CE1-CB 4.31Å; F450-R454 HydrophobicContact CE2-CB 4.02Å; F450-R454 HydrophobicContact CE2-CG 3.62Å; F450-R454 HydrophobicContact CZ-CB 3.95Å; F450-R454 HydrophobicContact CZ-CG 4.07Å; F450-R454 WeakPolarHBondContact O-CB 3.41Å; F450-R454 PolarHBondContact O-N 3.45Å; F450-T455 HydrophobicContact CE1-CG2 3.92Å; F450-T455 HydrophobicContact CZ-CG2 4.49Å |
| 451 | N | 86.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -36 | -178.2 | -173.1 | 21.7 | 0 | 0 | 0 | 113.2 | T447 I448 T453 T455 R456 D457 L460 H461 | T447-N451 VanDerWaalsContact O-CB 3.31Å; T447-N451 WeakPolarHBondContact O-CB 3.46Å; T447-N451 PolarHBondContact O-N 2.94Å; I448-N451 PolarHBondContact O-N 3.23Å; N451-T453 PolarHBondContact O-N 2.95Å; N451-T455 VanDerWaalsContact CA-OG1 3.29Å; N451-T455 WeakPolarHBondContact CA-OG1 3.07Å; N451-T455 PolarHBondContact O-N 3.34Å; N451-T455 PolarHBondContact OD1-OG1 2.92Å; N451-R456 WeakPolarHBondContact O-CA 3.44Å; N451-R456 PolarHBondContact O-N 3.46Å; N451-R456 PolarHBondContact OD1-N 2.75Å; N451-D457 PolarHBondContact ND2-O 3.14Å; N451-D457 WeakPolarHBondContact OD1-CB 3.37Å; N451-D457 PolarHBondContact OD1-N 3.35Å; N451-L460 HydrophobicContact CB-CD2 3.42Å; N451-L460 VanDerWaalsContact CB-CD2 3.42Å; N451-L460 VanDerWaalsContact CG-CD2 3.44Å; N451-L460 WeakPolarHBondContact ND2-CD2 3.34Å; N451-H461 WeakPolarHBondContact CB-CE1 3.48Å; N451-H461 PolarHBondContact ND2-CD2 3.24Å; N451-H461 PolarHBondContact ND2-CE1 3.49Å; N451-H461 PolarHBondContact ND2-N 3.37Å; N451-H461 PolarHBondContact ND2-ND1 3.04Å; N451-H461 PolarHBondContact ND2-NE2 3.47Å |
| 452 | M | 80.9 | Confident | 88.6 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.9 | -26.2 | 178 | -80.3 | -169.7 | 78.2 | 0 | 0 | 113.6 | I448 Q449 F450 H461 L493 K496 | I448-M452 HydrophobicContact CG2-CG 4.27Å; I448-M452 HydrophobicContact CG2-SD 4.22Å; I448-M452 WeakPolarHBondContact O-CB 3.21Å; I448-M452 VanDerWaalsContact O-CG 3.3Å; I448-M452 WeakPolarHBondContact O-CG 3.46Å; I448-M452 PolarHBondContact O-N 3.5Å; Q449-M452 PolarHBondContact O-N 3.03Å; F450-M452 VanDerWaalsContact C-N 3.31Å; F450-M452 PolarHBondContact O-N 2.79Å; M452-H461 WeakPolarHBondContact CG-CE1 3.35Å; M452-H461 PolarHBondContact N-CE1 3.45Å; M452-H461 VanDerWaalsContact N-CE1 3.26Å; M452-L493 HydrophobicContact CE-CD2 3.27Å; M452-L493 HydrophobicContact CE-CG 4.18Å; M452-L493 HydrophobicContact SD-CD2 3.55Å; M452-L493 VanDerWaalsContact SD-CD2 3.55Å; M452-L493 HydrophobicContact SD-CG 4.14Å; M452-K496 HydrophobicContact CE-CD 3.48Å; M452-K496 VanDerWaalsContact CE-CD 3.48Å; M452-K496 PolarHBondContact O-NZ 2.94Å; M452-K496 VanDerWaalsContact O-NZ 3.11Å |
| 453 | T | 80.2 | Confident | 88.4 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 58% | 0.577 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -103.4 | -29.6 | -173 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | Q449 F450 N451 | Q449-T453 WeakPolarHBondContact O-CG2 3.48Å; Q449-T453 PolarHBondContact O-N 2.83Å; Q449-T453 PolarHBondContact O-OG1 2.83Å; F450-T453 PolarHBondContact O-N 3.29Å; F450-T453 VanDerWaalsContact O-N 3.11Å; F450-T453 PolarHBondContact O-OG1 2.95Å; F450-T453 VanDerWaalsContact O-OG1 3.04Å; N451-T453 PolarHBondContact O-N 2.95Å |
| 454 | R | 79.9 | Confident | 88.2 | Confident | 181 Ų | 181 | 51.7 Ų | 51.7 | 68% | 0.683 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -68 | -174.1 | -61.7 | -65.8 | -168 | 157.1 | 5.5 | 112.9 | F450 | F450-R454 HydrophobicContact CD2-CB 4.45Å; F450-R454 HydrophobicContact CD2-CG 3.96Å; F450-R454 HydrophobicContact CE1-CB 4.31Å; F450-R454 HydrophobicContact CE2-CB 4.02Å; F450-R454 HydrophobicContact CE2-CG 3.62Å; F450-R454 HydrophobicContact CZ-CB 3.95Å; F450-R454 HydrophobicContact CZ-CG 4.07Å; F450-R454 WeakPolarHBondContact O-CB 3.41Å; F450-R454 PolarHBondContact O-N 3.45Å |
| 455 | T | 75.4 | Confident | 88.1 | Confident | 80 Ų | 80 | 52.3 Ų | 52.3 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -31.8 | -163.6 | 45.4 | 0 | 0 | 0 | 0 | 114.3 | F450 N451 D457 | F450-T455 HydrophobicContact CE1-CG2 3.92Å; F450-T455 HydrophobicContact CZ-CG2 4.49Å; N451-T455 VanDerWaalsContact CA-OG1 3.29Å; N451-T455 WeakPolarHBondContact CA-OG1 3.07Å; N451-T455 PolarHBondContact O-N 3.34Å; N451-T455 PolarHBondContact OD1-OG1 2.92Å; T455-D457 PolarHBondContact O-N 3.12Å |
| 456 | R | 82.5 | Confident | 88.2 | Confident | 183 Ų | 183 | 52.6 Ų | 52.6 | 69% | 0.691 | 24% | 0.243 | S | C | * | . | trans | 54.4 | 34.7 | -177.8 | -53.8 | -175.7 | -176.7 | -173.2 | 2.9 | 114 | N451 | N451-R456 WeakPolarHBondContact O-CA 3.44Å; N451-R456 PolarHBondContact O-N 3.46Å; N451-R456 PolarHBondContact OD1-N 2.75Å | ||
| 457 | D | 86.8 | Confident | 88.3 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | trans | -78.9 | 118.2 | 179 | 179.5 | -21.8 | 0 | 0 | 0 | 110.9 | Y396 N451 T455 Y459 L460 H461 | Y396-D457 VanDerWaalsContact CE1-OD2 3.22Å; Y396-D457 WeakPolarHBondContact CE1-OD2 3.46Å; Y396-D457 VanDerWaalsContact CZ-OD2 3.27Å; Y396-D457 PolarHBondContact OH-OD2 3.46Å; N451-D457 PolarHBondContact ND2-O 3.14Å; N451-D457 WeakPolarHBondContact OD1-CB 3.37Å; N451-D457 PolarHBondContact OD1-N 3.35Å; T455-D457 PolarHBondContact O-N 3.12Å; D457-Y459 WeakPolarHBondContact OD1-CA 3.46Å; D457-Y459 WeakPolarHBondContact OD1-CB 3.16Å; D457-Y459 PolarHBondContact OD1-N 3.26Å; D457-L460 HydrophobicContact CB-CB 4.12Å; D457-L460 PolarHBondContact OD1-N 3.14Å; D457-L460 VanDerWaalsContact OD1-N 3.14Å; D457-H461 PolarHBondContact O-CD2 3.45Å; D457-H461 PolarHBondContact O-N 3.29Å | ||
| 458 | K | 87.3 | Confident | 88.5 | Confident | 160 Ų | 160 | 49.9 Ų | 49.9 | 70% | 0.696 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.8 | -38 | -179.6 | -174.3 | 179.6 | 178.2 | -177.6 | 0 | 112.9 | H461 T462 | K458-H461 PolarHBondContact O-N 3.04Å; K458-T462 WeakPolarHBondContact O-CB 3.44Å; K458-T462 PolarHBondContact O-N 3.23Å; K458-T462 PolarHBondContact O-OG1 3.19Å |
| 459 | Y | 87.3 | Confident | 88.8 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 30% | 0.298 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.7 | -48.6 | -177.1 | -176.5 | -104.9 | 0 | 0 | 0 | 110.5 | Y396 I400 D457 H461 T462 N463 | Y396-Y459 AromaticContact CD1-CD1 3.78Å; Y396-Y459 HydrophobicContact CD1-CD1 3.78Å; Y396-Y459 HydrophobicContact CD1-CE1 4.08Å; Y396-Y459 AromaticContact CE1-CD1 3.93Å; Y396-Y459 HydrophobicContact CE1-CD1 3.93Å; Y396-Y459 HydrophobicContact CG-CD1 4.32Å; Y396-Y459 HydrophobicContact CG-CE1 4.26Å; I400-Y459 VanDerWaalsContact CD1-OH 3.24Å; I400-Y459 WeakPolarHBondContact CD1-OH 3.44Å; D457-Y459 WeakPolarHBondContact OD1-CA 3.46Å; D457-Y459 WeakPolarHBondContact OD1-CB 3.16Å; D457-Y459 PolarHBondContact OD1-N 3.26Å; Y459-H461 VanDerWaalsContact C-N 3.35Å; Y459-H461 PolarHBondContact O-N 3.41Å; Y459-T462 PolarHBondContact O-N 3.23Å; Y459-N463 WeakPolarHBondContact CE1-ND2 3.12Å; Y459-N463 WeakPolarHBondContact CE2-ND2 3.42Å; Y459-N463 PolarHBondContact O-N 3.43Å; Y459-N463 PolarHBondContact OH-ND2 3.3Å |
| 460 | L | 88.9 | Confident | 89.2 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 178.2 | -171.2 | 141.9 | 0 | 0 | 0 | 112.1 | V395 Y396 L399 T447 N451 D457 C464 | V395-L460 HydrophobicContact CG1-CD1 3.7Å; Y396-L460 HydrophobicContact CE1-CB 4.27Å; Y396-L460 HydrophobicContact CE1-CD1 4.36Å; L399-L460 HydrophobicContact CD2-CG 4.03Å; T447-L460 HydrophobicContact CG2-CD1 4.48Å; T447-L460 HydrophobicContact CG2-CD2 3.74Å; T447-L460 HydrophobicContact CG2-CG 4.38Å; N451-L460 HydrophobicContact CB-CD2 3.42Å; N451-L460 VanDerWaalsContact CB-CD2 3.42Å; N451-L460 VanDerWaalsContact CG-CD2 3.44Å; N451-L460 WeakPolarHBondContact ND2-CD2 3.34Å; D457-L460 HydrophobicContact CB-CB 4.12Å; D457-L460 PolarHBondContact OD1-N 3.14Å; D457-L460 VanDerWaalsContact OD1-N 3.14Å; L460-C464 WeakPolarHBondContact O-CB 3.22Å; L460-C464 PolarHBondContact O-N 2.78Å; L460-C464 VanDerWaalsContact O-N 3.14Å; L460-C464 PolarHBondContact O-SG 2.51Å |
| 461 | H | 87.8 | Confident | 89.6 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 12% | 0.12 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 173.7 | -83.3 | -46.7 | 0 | 0 | 0 | 112.4 | I448 N451 M452 D457 K458 Y459 C464 L465 | I448-H461 PolarHBondContact O-CE1 2.9Å; N451-H461 WeakPolarHBondContact CB-CE1 3.48Å; N451-H461 PolarHBondContact ND2-CD2 3.24Å; N451-H461 PolarHBondContact ND2-CE1 3.49Å; N451-H461 PolarHBondContact ND2-N 3.37Å; N451-H461 PolarHBondContact ND2-ND1 3.04Å; N451-H461 PolarHBondContact ND2-NE2 3.47Å; M452-H461 WeakPolarHBondContact CG-CE1 3.35Å; M452-H461 PolarHBondContact N-CE1 3.45Å; M452-H461 VanDerWaalsContact N-CE1 3.26Å; D457-H461 PolarHBondContact O-CD2 3.45Å; D457-H461 PolarHBondContact O-N 3.29Å; K458-H461 PolarHBondContact O-N 3.04Å; Y459-H461 VanDerWaalsContact C-N 3.35Å; Y459-H461 PolarHBondContact O-N 3.41Å; H461-C464 PolarHBondContact O-N 3.11Å; H461-L465 WeakPolarHBondContact O-CG 3.35Å; H461-L465 PolarHBondContact O-N 2.62Å; H461-L465 VanDerWaalsContact O-N 3.12Å |
| 462 | T | 90.8 | Very high | 90.1 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 47% | 0.466 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63 | -46.8 | -175.4 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | K458 Y459 L465 A466 | K458-T462 WeakPolarHBondContact O-CB 3.44Å; K458-T462 PolarHBondContact O-N 3.23Å; K458-T462 PolarHBondContact O-OG1 3.19Å; Y459-T462 PolarHBondContact O-N 3.23Å; T462-L465 PolarHBondContact O-N 3.43Å; T462-A466 WeakPolarHBondContact O-CB 3.37Å; T462-A466 PolarHBondContact O-N 3.14Å |
| 463 | N | 93.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.5 | -35.8 | -178.6 | -73.2 | -17.5 | 0 | 0 | 0 | 112.9 | L399 Y459 A466 A467 | L399-N463 HydrophobicContact CD1-CB 4.44Å; L399-N463 HydrophobicContact CD2-CB 3.5Å; L399-N463 HydrophobicContact CG-CB 3.71Å; Y459-N463 WeakPolarHBondContact CE1-ND2 3.12Å; Y459-N463 WeakPolarHBondContact CE2-ND2 3.42Å; Y459-N463 PolarHBondContact O-N 3.43Å; Y459-N463 PolarHBondContact OH-ND2 3.3Å; N463-A466 PolarHBondContact O-N 3.49Å; N463-A467 WeakPolarHBondContact O-CB 3.42Å; N463-A467 PolarHBondContact O-N 2.96Å |
| 464 | C | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 173.1 | -75.3 | 0 | 0 | 0 | 0 | 112.4 | V444 I448 L460 H461 A467 L468 | V444-C464 HydrophobicContact CG1-CB 3.65Å; V444-C464 WeakPolarHBondContact CG1-O 3.38Å; I448-C464 HydrophobicContact CD1-CB 3.85Å; I448-C464 HydrophobicContact CG1-CB 3.47Å; I448-C464 VanDerWaalsContact CG1-CB 3.47Å; L460-C464 WeakPolarHBondContact O-CB 3.22Å; L460-C464 PolarHBondContact O-N 2.78Å; L460-C464 VanDerWaalsContact O-N 3.14Å; L460-C464 PolarHBondContact O-SG 2.51Å; H461-C464 PolarHBondContact O-N 3.11Å; C464-A467 PolarHBondContact O-N 3.21Å; C464-L468 PolarHBondContact O-N 2.93Å; C464-L468 VanDerWaalsContact O-N 3.14Å |
| 465 | L | 94.8 | Very high | 92.3 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 178 | -72.2 | 169.2 | 0 | 0 | 0 | 111.6 | I448 H461 T462 A467 L468 A469 V531 M534 M535 I538 | I448-L465 HydrophobicContact CD1-CD2 4Å; I448-L465 HydrophobicContact CD1-CG 4.33Å; H461-L465 WeakPolarHBondContact O-CG 3.35Å; H461-L465 PolarHBondContact O-N 2.62Å; H461-L465 VanDerWaalsContact O-N 3.12Å; T462-L465 PolarHBondContact O-N 3.43Å; L465-A467 VanDerWaalsContact C-N 3.34Å; L465-A467 PolarHBondContact O-N 3.17Å; L465-L468 PolarHBondContact O-N 3.05Å; L465-A469 WeakPolarHBondContact O-CB 3.46Å; L465-A469 PolarHBondContact O-N 3.46Å; L465-V531 HydrophobicContact CD1-CB 4.3Å; L465-V531 HydrophobicContact CD1-CG1 3.92Å; L465-V531 HydrophobicContact CD1-CG2 3.93Å; L465-V531 HydrophobicContact CD2-CG1 4.43Å; L465-M534 HydrophobicContact CB-CG 4Å; L465-M534 HydrophobicContact CD1-CB 4.47Å; L465-M534 HydrophobicContact CD1-CG 4.36Å; L465-M534 HydrophobicContact CD2-CG 4.22Å; L465-M534 HydrophobicContact CG-CG 4.43Å; L465-M535 HydrophobicContact CD2-CG 4.4Å; L465-M535 HydrophobicContact CD2-SD 4.11Å; L465-I538 HydrophobicContact CD2-CD1 4.41Å |
| 466 | A | 96.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L403 T462 N463 A469 N470 F627 | L403-A466 HydrophobicContact CD1-CB 3.63Å; T462-A466 WeakPolarHBondContact O-CB 3.37Å; T462-A466 PolarHBondContact O-N 3.14Å; N463-A466 PolarHBondContact O-N 3.49Å; A466-A469 PolarHBondContact O-N 3.01Å; A466-N470 WeakPolarHBondContact O-CB 3.48Å; A466-N470 PolarHBondContact O-N 3.45Å; A466-F627 HydrophobicContact CB-CB 3.68Å; A466-F627 HydrophobicContact CB-CD1 4.25Å; A466-F627 HydrophobicContact CB-CD2 4.24Å; A466-F627 HydrophobicContact CB-CG 3.79Å |
| 467 | A | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T406 N463 C464 L465 A469 N470 M471 | T406-A467 HydrophobicContact CG2-CB 4.42Å; N463-A467 WeakPolarHBondContact O-CB 3.42Å; N463-A467 PolarHBondContact O-N 2.96Å; C464-A467 PolarHBondContact O-N 3.21Å; L465-A467 VanDerWaalsContact C-N 3.34Å; L465-A467 PolarHBondContact O-N 3.17Å; A467-A469 VanDerWaalsContact C-N 3.33Å; A467-A469 PolarHBondContact O-N 2.76Å; A467-N470 PolarHBondContact O-N 3.48Å; A467-M471 WeakPolarHBondContact O-CG 3.49Å; A467-M471 PolarHBondContact O-N 3.4Å |
| 468 | L | 97.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 175.2 | -73.5 | 176.2 | 0 | 0 | 0 | 112.4 | I441 V444 I445 I448 C464 L465 M471 S472 I538 | I441-L468 HydrophobicContact CB-CD2 4.26Å; I441-L468 HydrophobicContact CG1-CD2 3.96Å; I441-L468 HydrophobicContact CG2-CD2 4.17Å; V444-L468 HydrophobicContact CB-CD2 4.23Å; V444-L468 HydrophobicContact CB-CG 4.29Å; V444-L468 HydrophobicContact CG1-CD1 3.85Å; V444-L468 HydrophobicContact CG1-CD2 4.17Å; V444-L468 HydrophobicContact CG1-CG 3.68Å; I445-L468 HydrophobicContact CG1-CD1 4.29Å; I448-L468 HydrophobicContact CD1-CD1 3.82Å; C464-L468 PolarHBondContact O-N 2.93Å; C464-L468 VanDerWaalsContact O-N 3.14Å; L465-L468 PolarHBondContact O-N 3.05Å; L468-M471 PolarHBondContact O-N 3.45Å; L468-S472 PolarHBondContact O-N 2.87Å; L468-I538 HydrophobicContact CB-CD1 3.91Å |
| 469 | A | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.4 | -44.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | L465 A466 A467 M471 S472 M534 I538 L625 F627 | L465-A469 WeakPolarHBondContact O-CB 3.46Å; L465-A469 PolarHBondContact O-N 3.46Å; A466-A469 PolarHBondContact O-N 3.01Å; A467-A469 VanDerWaalsContact C-N 3.33Å; A467-A469 PolarHBondContact O-N 2.76Å; A469-M471 VanDerWaalsContact C-N 3.29Å; A469-M471 PolarHBondContact O-N 3.13Å; A469-S472 WeakPolarHBondContact O-CB 3.44Å; A469-S472 PolarHBondContact O-N 2.88Å; A469-S472 VanDerWaalsContact O-N 3.17Å; A469-S472 PolarHBondContact O-OG 3.22Å; A469-M534 HydrophobicContact CB-SD 4.12Å; A469-I538 HydrophobicContact CB-CD1 4.23Å; A469-I538 HydrophobicContact CB-CG1 3.93Å; A469-L625 HydrophobicContact CB-CB 4.02Å; A469-L625 HydrophobicContact CB-CD1 4.08Å; A469-F627 HydrophobicContact CB-CD2 3.8Å; A469-F627 HydrophobicContact CB-CE2 3.5Å |
| 470 | N | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.9 | -42.8 | 172.5 | -85 | -8.5 | 0 | 0 | 0 | 113.1 | T406 N412 A466 A467 K626 F627 | T406-N470 WeakPolarHBondContact O-CB 3.49Å; T406-N470 PolarHBondContact OG1-ND2 3.22Å; N412-N470 PolarHBondContact ND2-O 3.24Å; A466-N470 WeakPolarHBondContact O-CB 3.48Å; A466-N470 PolarHBondContact O-N 3.45Å; A467-N470 PolarHBondContact O-N 3.48Å; N470-K626 WeakPolarHBondContact OD1-CA 3.5Å; N470-F627 PolarHBondContact ND2-O 3.01Å; N470-F627 PolarHBondContact OD1-N 3.09Å; N470-F627 PolarHBondContact OD1-O 3.14Å |
| 471 | M | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -75.7 | -24.9 | -179.7 | -67.7 | 176.2 | 59.2 | 0 | 0 | 114 | T406 N412 I415 L440 I441 A467 L468 A469 A473 Q474 F475 | T406-M471 HydrophobicContact CG2-CG 3.61Å; T406-M471 HydrophobicContact CG2-SD 3.76Å; N412-M471 VanDerWaalsContact OD1-CG 3.26Å; N412-M471 WeakPolarHBondContact OD1-CG 3.41Å; I415-M471 HydrophobicContact CD1-CE 3.56Å; I415-M471 HydrophobicContact CD1-SD 4.33Å; L440-M471 HydrophobicContact CD1-CE 4.28Å; L440-M471 HydrophobicContact CD1-SD 3.9Å; L440-M471 HydrophobicContact CD2-CE 3.93Å; L440-M471 HydrophobicContact CD2-SD 3.33Å; L440-M471 WeakPolarHBondContact CD2-SD 3.21Å; L440-M471 HydrophobicContact CG-SD 4.21Å; I441-M471 HydrophobicContact CD1-CE 4.34Å; I441-M471 HydrophobicContact CG1-CE 4.06Å; A467-M471 WeakPolarHBondContact O-CG 3.49Å; A467-M471 PolarHBondContact O-N 3.4Å; L468-M471 PolarHBondContact O-N 3.45Å; A469-M471 VanDerWaalsContact C-N 3.29Å; A469-M471 PolarHBondContact O-N 3.13Å; M471-A473 VanDerWaalsContact C-N 3.28Å; M471-A473 PolarHBondContact O-N 3.35Å; M471-A473 VanDerWaalsContact O-N 3.11Å; M471-Q474 CarbonylContact O-C 3.38Å; M471-Q474 WeakPolarHBondContact O-CA 3.19Å; M471-Q474 PolarHBondContact O-N 2.88Å; M471-F475 HydrophobicContact CB-CD1 4.05Å; M471-F475 HydrophobicContact CB-CE1 3.5Å; M471-F475 VanDerWaalsContact CB-CE1 3.5Å; M471-F475 HydrophobicContact CB-CZ 4.45Å; M471-F475 HydrophobicContact CE-CE1 4.19Å; M471-F475 WeakPolarHBondContact O-CD1 3.49Å; M471-F475 PolarHBondContact O-N 3.17Å; M471-F475 VanDerWaalsContact O-N 3.16Å |
| 472 | S | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.2 | -37.1 | -163.7 | 65.6 | 0 | 0 | 0 | 0 | 114.8 | L468 A469 Q474 S541 C542 | L468-S472 PolarHBondContact O-N 2.87Å; A469-S472 WeakPolarHBondContact O-CB 3.44Å; A469-S472 PolarHBondContact O-N 2.88Å; A469-S472 VanDerWaalsContact O-N 3.17Å; A469-S472 PolarHBondContact O-OG 3.22Å; S472-Q474 VanDerWaalsContact C-N 3.27Å; S472-Q474 PolarHBondContact O-N 3.16Å; S472-S541 WeakPolarHBondContact OG-CB 3.11Å; S472-S541 PolarHBondContact OG-OG 2.95Å; S472-C542 WeakPolarHBondContact O-CA 3.49Å |
| 473 | A | 95.2 | Very high | 96.4 | Very high | 11 Ų | 11 | 19 Ų | 19 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M471 S541 N545 | M471-A473 VanDerWaalsContact C-N 3.28Å; M471-A473 PolarHBondContact O-N 3.35Å; M471-A473 VanDerWaalsContact O-N 3.11Å; A473-S541 PolarHBondContact N-OG 3.22Å; A473-N545 HydrophobicContact CB-CB 4.09Å; A473-N545 WeakPolarHBondContact O-CB 3.4Å |
| 474 | Q | 96.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 21.2 Ų | 21.2 | 19% | 0.192 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 4.9 | -175.7 | -52.2 | -55.6 | -18.7 | 0 | 0 | 113.6 | D409 N412 R413 M471 S472 R476 | D409-Q474 WeakPolarHBondContact OD1-CG 3.42Å; D409-Q474 PolarHBondContact OD1-NE2 3.28Å; D409-Q474 VanDerWaalsContact OD1-NE2 3.09Å; N412-Q474 HydrophobicContact CB-CB 3.73Å; N412-Q474 HydrophobicContact CB-CG 3.88Å; R413-Q474 HydrophobicContact CG-CB 3.88Å; R413-Q474 HydrophobicContact CG-CG 4.08Å; M471-Q474 CarbonylContact O-C 3.38Å; M471-Q474 WeakPolarHBondContact O-CA 3.19Å; M471-Q474 PolarHBondContact O-N 2.88Å; S472-Q474 VanDerWaalsContact C-N 3.27Å; S472-Q474 PolarHBondContact O-N 3.16Å; Q474-R476 PolarHBondContact O-N 3.36Å |
| 475 | F | 96.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | trans | -49.1 | 131.7 | 173 | -73.9 | -11 | 0 | 0 | 0 | 110.7 | H416 I441 M471 L478 I486 I538 C542 S546 N550 | H416-F475 AromaticContact NE2-CD1 3.72Å; I441-F475 HydrophobicContact CD1-CD1 3.84Å; I441-F475 HydrophobicContact CD1-CE1 3.42Å; I441-F475 VanDerWaalsContact CD1-CE1 3.42Å; I441-F475 HydrophobicContact CD1-CE2 4.4Å; I441-F475 HydrophobicContact CD1-CG 4.48Å; I441-F475 HydrophobicContact CD1-CZ 3.75Å; I441-F475 HydrophobicContact CG1-CE1 3.97Å; I441-F475 HydrophobicContact CG1-CZ 4.18Å; M471-F475 HydrophobicContact CB-CD1 4.05Å; M471-F475 HydrophobicContact CB-CE1 3.5Å; M471-F475 VanDerWaalsContact CB-CE1 3.5Å; M471-F475 HydrophobicContact CB-CZ 4.45Å; M471-F475 HydrophobicContact CE-CE1 4.19Å; M471-F475 WeakPolarHBondContact O-CD1 3.49Å; M471-F475 PolarHBondContact O-N 3.17Å; M471-F475 VanDerWaalsContact O-N 3.16Å; F475-L478 HydrophobicContact CB-CD1 4.2Å; F475-L478 HydrophobicContact CB-CD2 4.34Å; F475-L478 HydrophobicContact CB-CG 4.26Å; F475-L478 HydrophobicContact CD2-CD1 3.88Å; F475-L478 HydrophobicContact CG-CD1 4.2Å; F475-L478 HydrophobicContact CG-CD2 4.28Å; F475-I486 HydrophobicContact CE2-CD1 4.18Å; F475-I538 HydrophobicContact CE2-CG2 4.23Å; F475-I538 HydrophobicContact CZ-CG2 4.49Å; F475-C542 HydrophobicContact CD2-CB 3.97Å; F475-S546 WeakPolarHBondContact O-CB 3.46Å; F475-S546 PolarHBondContact O-OG 3.28Å; F475-N550 PolarHBondContact O-ND2 2.88Å | ||
| 476 | R | 95.3 | Very high | 96.7 | Very high | 87 Ų | 87 | 24 Ų | 24 | 33% | 0.328 | 12% | 0.117 | S | C | . | . | trans | -142.6 | 134.5 | -178.3 | -157.3 | 178.9 | -166 | -177.6 | 3.1 | 110.4 | H416 E417 Q474 L478 H549 | H416-R476 HydrophobicContact CB-CB 3.87Å; H416-R476 PolarHBondContact ND1-O 3.3Å; E417-R476 IonicContact OE1-NH1 3.79Å; E417-R476 PolarHBondContact OE1-NH1 3.44Å; Q474-R476 PolarHBondContact O-N 3.36Å; R476-L478 PolarHBondContact O-N 3.43Å; R476-L478 VanDerWaalsContact O-N 3.09Å; R476-H549 HydrophobicContact CG-CB 3.78Å; R476-H549 PolarHBondContact NH2-NE2 3.15Å | ||
| 477 | S | 94.8 | Very high | 96.7 | Very high | 82 Ų | 82 | 23.9 Ų | 23.9 | 57% | 0.573 | 12% | 0.116 | S | C | * | . | S | Bend | trans | 48.7 | 41.9 | 173.9 | -59 | 0 | 0 | 0 | 0 | 113.1 | H479 H549 N550 | S477-H479 PolarHBondContact O-N 3.31Å; S477-H549 WeakPolarHBondContact CA-O 3.28Å; S477-H549 PolarHBondContact N-O 3.16Å; S477-N550 PolarHBondContact N-OD1 3.23Å |
| 478 | L | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -52.5 | 131.3 | -176.7 | -71.7 | 178.2 | 0 | 0 | 0 | 111.4 | I441 F475 R476 I486 N550 N552 L553 | I441-L478 HydrophobicContact CD1-CD2 3.39Å; F475-L478 HydrophobicContact CB-CD1 4.2Å; F475-L478 HydrophobicContact CB-CD2 4.34Å; F475-L478 HydrophobicContact CB-CG 4.26Å; F475-L478 HydrophobicContact CD2-CD1 3.88Å; F475-L478 HydrophobicContact CG-CD1 4.2Å; F475-L478 HydrophobicContact CG-CD2 4.28Å; R476-L478 PolarHBondContact O-N 3.43Å; R476-L478 VanDerWaalsContact O-N 3.09Å; L478-I486 HydrophobicContact CD1-CD1 3.99Å; L478-N550 WeakPolarHBondContact CG-OD1 3.27Å; L478-N550 PolarHBondContact N-OD1 3.3Å; L478-N552 WeakPolarHBondContact O-CB 3.42Å; L478-N552 PolarHBondContact O-ND2 2.94Å; L478-L553 HydrophobicContact CD1-CB 4.48Å | ||
| 479 | H | 96.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 26.2 Ų | 26.2 | 24% | 0.241 | 13% | 0.132 | C | C | . | . | trans | -58.6 | 140.2 | 173.9 | -175.1 | -87.7 | 0 | 0 | 0 | 110 | E433 I434 S438 S477 Y481 A482 A483 | E433-H479 PolarHBondContact O-CD2 3.43Å; I434-H479 HydrophobicContact CD1-CB 4.2Å; I434-H479 HydrophobicContact CG1-CB 3.98Å; S438-H479 PolarHBondContact OG-N 3.49Å; S477-H479 PolarHBondContact O-N 3.31Å; H479-Y481 WeakPolarHBondContact ND1-CB 3.33Å; H479-Y481 PolarHBondContact ND1-N 3.49Å; H479-Y481 VanDerWaalsContact ND1-N 3.19Å; H479-Y481 PolarHBondContact O-N 3.09Å; H479-Y481 VanDerWaalsContact O-N 3.12Å; H479-A482 HydrophobicContact CB-CB 4.37Å; H479-A482 WeakPolarHBondContact O-CB 3.39Å; H479-A482 PolarHBondContact O-N 3.07Å; H479-A483 PolarHBondContact O-N 3.03Å | ||
| 480 | Q | 95.4 | Very high | 96.2 | Very high | 67 Ų | 67 | 26.2 Ų | 26.2 | 31% | 0.313 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -52.2 | -42.2 | -174.7 | -174.4 | -173.3 | 8.3 | 0 | 0 | 112.4 | Q484 | Q480-Q484 VanDerWaalsContact O-CG 3.3Å; Q480-Q484 WeakPolarHBondContact O-CG 3.33Å; Q480-Q484 PolarHBondContact O-N 3.14Å |
| 481 | Y | 97.1 | Very high | 96 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 7% | 0.067 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 177.7 | -176.6 | -125.5 | 0 | 0 | 0 | 113.1 | Y426 R429 L431 L442 H479 Q484 R485 | Y426-Y481 AromaticContact CE1-CE1 3.83Å; Y426-Y481 HydrophobicContact CE1-CE1 3.83Å; Y426-Y481 AromaticContact CZ-CE1 3.97Å; Y426-Y481 WeakPolarHBondContact OH-CE1 3.3Å; Y426-Y481 PolarHBondContact OH-OH 3.23Å; R429-Y481 HydrophobicContact CB-CD1 4.42Å; R429-Y481 HydrophobicContact CB-CE1 3.92Å; L431-Y481 HydrophobicContact CD2-CD1 4.07Å; L442-Y481 HydrophobicContact CD1-CD1 3.72Å; L442-Y481 HydrophobicContact CD1-CE1 4.03Å; L442-Y481 HydrophobicContact CD2-CD1 3.73Å; L442-Y481 HydrophobicContact CD2-CE1 3.79Å; L442-Y481 HydrophobicContact CD2-CG 4.49Å; L442-Y481 HydrophobicContact CG-CD1 4.41Å; H479-Y481 WeakPolarHBondContact ND1-CB 3.33Å; H479-Y481 PolarHBondContact ND1-N 3.49Å; H479-Y481 VanDerWaalsContact ND1-N 3.19Å; H479-Y481 PolarHBondContact O-N 3.09Å; H479-Y481 VanDerWaalsContact O-N 3.12Å; Y481-Q484 PolarHBondContact O-N 3.03Å; Y481-R485 HydrophobicContact CD2-CG 4.25Å; Y481-R485 HydrophobicContact CE1-CG 4.35Å; Y481-R485 HydrophobicContact CE2-CG 3.93Å; Y481-R485 WeakPolarHBondContact O-CB 3.49Å; Y481-R485 WeakPolarHBondContact O-CG 3.47Å; Y481-R485 PolarHBondContact O-N 2.89Å; Y481-R485 VanDerWaalsContact OH-CZ 3.31Å; Y481-R485 PolarHBondContact OH-NE 2.87Å; Y481-R485 PolarHBondContact OH-NH2 3.4Å |
| 482 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | L442 H479 Q484 R485 I486 | L442-A482 HydrophobicContact CD2-CB 4.11Å; L442-A482 HydrophobicContact CG-CB 4.04Å; H479-A482 HydrophobicContact CB-CB 4.37Å; H479-A482 WeakPolarHBondContact O-CB 3.39Å; H479-A482 PolarHBondContact O-N 3.07Å; A482-Q484 VanDerWaalsContact C-N 3.32Å; A482-Q484 PolarHBondContact O-N 3.37Å; A482-R485 PolarHBondContact O-N 3.13Å; A482-R485 VanDerWaalsContact O-N 3.09Å; A482-I486 WeakPolarHBondContact O-CG1 3.28Å; A482-I486 PolarHBondContact O-N 3.02Å |
| 483 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.2 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H479 I486 I487 N552 L553 A556 | H479-A483 PolarHBondContact O-N 3.03Å; A483-I486 PolarHBondContact O-N 2.86Å; A483-I487 PolarHBondContact O-N 3.15Å; A483-N552 HydrophobicContact CB-CB 4.02Å; A483-L553 HydrophobicContact CB-CB 4.37Å; A483-L553 HydrophobicContact CB-CD1 4.45Å; A483-A556 HydrophobicContact CB-CB 4.44Å |
| 484 | Q | 96.6 | Very high | 95.4 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 29% | 0.285 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 174.9 | -74.6 | 172.6 | -14.3 | 0 | 0 | 112.7 | Q480 Y481 A482 I487 S488 A556 | Q480-Q484 VanDerWaalsContact O-CG 3.3Å; Q480-Q484 WeakPolarHBondContact O-CG 3.33Å; Q480-Q484 PolarHBondContact O-N 3.14Å; Y481-Q484 PolarHBondContact O-N 3.03Å; A482-Q484 VanDerWaalsContact C-N 3.32Å; A482-Q484 PolarHBondContact O-N 3.37Å; Q484-I487 PolarHBondContact O-N 2.88Å; Q484-S488 WeakPolarHBondContact O-CB 3.49Å; Q484-S488 PolarHBondContact O-N 3.14Å; Q484-S488 PolarHBondContact O-OG 3.08Å; Q484-A556 HydrophobicContact CG-CB 4.37Å |
| 485 | R | 96.9 | Very high | 95.1 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68 | -34.7 | 179.6 | -75.9 | -59.2 | -158.4 | 168 | 9.5 | 112.7 | L442 I445 Y481 A482 S488 L489 | L442-R485 HydrophobicContact CD2-CB 3.84Å; L442-R485 HydrophobicContact CD2-CG 3.61Å; I445-R485 HydrophobicContact CD1-CB 4.18Å; I445-R485 HydrophobicContact CG2-CB 4.47Å; Y481-R485 HydrophobicContact CD2-CG 4.25Å; Y481-R485 HydrophobicContact CE1-CG 4.35Å; Y481-R485 HydrophobicContact CE2-CG 3.93Å; Y481-R485 WeakPolarHBondContact O-CB 3.49Å; Y481-R485 WeakPolarHBondContact O-CG 3.47Å; Y481-R485 PolarHBondContact O-N 2.89Å; Y481-R485 VanDerWaalsContact OH-CZ 3.31Å; Y481-R485 PolarHBondContact OH-NE 2.87Å; Y481-R485 PolarHBondContact OH-NH2 3.4Å; A482-R485 PolarHBondContact O-N 3.13Å; A482-R485 VanDerWaalsContact O-N 3.09Å; R485-S488 PolarHBondContact O-N 3.29Å; R485-L489 PolarHBondContact O-N 2.87Å |
| 486 | I | 96.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.4 | -53.1 | 171.3 | -66.7 | 167 | 0 | 0 | 0 | 110.1 | I441 I445 F475 L478 A482 A483 S488 L489 F490 M535 I539 L553 | I441-I486 HydrophobicContact CG2-CD1 4.05Å; I441-I486 HydrophobicContact CG2-CG1 3.89Å; I445-I486 HydrophobicContact CD1-CB 4.33Å; I445-I486 HydrophobicContact CD1-CG1 3.69Å; F475-I486 HydrophobicContact CE2-CD1 4.18Å; L478-I486 HydrophobicContact CD1-CD1 3.99Å; A482-I486 WeakPolarHBondContact O-CG1 3.28Å; A482-I486 PolarHBondContact O-N 3.02Å; A483-I486 PolarHBondContact O-N 2.86Å; I486-S488 VanDerWaalsContact C-N 3.31Å; I486-S488 PolarHBondContact O-N 2.82Å; I486-L489 PolarHBondContact O-N 3.04Å; I486-F490 PolarHBondContact O-N 3.1Å; I486-M535 HydrophobicContact CG2-CE 4.09Å; I486-I539 HydrophobicContact CG2-CD1 4.41Å; I486-I539 HydrophobicContact CG2-CG1 4.06Å; I486-L553 HydrophobicContact CD1-CD1 4.42Å; I486-L553 HydrophobicContact CG2-CD1 4.47Å |
| 487 | I | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | 179.9 | -55.4 | -58.4 | 0 | 0 | 0 | 111.5 | A483 Q484 F490 A491 I539 L553 A556 L557 K560 L563 F564 | A483-I487 PolarHBondContact O-N 3.15Å; Q484-I487 PolarHBondContact O-N 2.88Å; I487-F490 WeakPolarHBondContact O-CB 3.41Å; I487-F490 PolarHBondContact O-N 3.36Å; I487-A491 PolarHBondContact O-N 3.33Å; I487-I539 HydrophobicContact CD1-CD1 4.04Å; I487-L553 HydrophobicContact CD1-CD1 4.18Å; I487-L553 HydrophobicContact CG1-CD1 4.41Å; I487-A556 HydrophobicContact CG1-CB 3.88Å; I487-L557 HydrophobicContact CD1-CB 4.47Å; I487-K560 HydrophobicContact CG2-CB 3.8Å; I487-K560 HydrophobicContact CG2-CG 4.09Å; I487-L563 HydrophobicContact CG2-CD1 4.26Å; I487-F564 HydrophobicContact CD1-CZ 4.28Å |
| 488 | S | 94.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 34.7 Ų | 34.7 | 37% | 0.371 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.9 | -35.3 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | Q484 R485 I486 A491 L492 | Q484-S488 WeakPolarHBondContact O-CB 3.49Å; Q484-S488 PolarHBondContact O-N 3.14Å; Q484-S488 PolarHBondContact O-OG 3.08Å; R485-S488 PolarHBondContact O-N 3.29Å; I486-S488 VanDerWaalsContact C-N 3.31Å; I486-S488 PolarHBondContact O-N 2.82Å; S488-A491 WeakPolarHBondContact O-CB 3.28Å; S488-A491 PolarHBondContact O-N 3.18Å; S488-L492 PolarHBondContact O-N 3.29Å |
| 489 | L | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 173.3 | 176.1 | 58.8 | 0 | 0 | 0 | 110.6 | I445 I448 Q449 R485 I486 A491 L492 L493 M535 | I445-L489 HydrophobicContact CB-CD2 4.42Å; I445-L489 HydrophobicContact CG1-CD2 3.99Å; I445-L489 HydrophobicContact CG2-CB 4.1Å; I445-L489 HydrophobicContact CG2-CD2 4.12Å; I448-L489 HydrophobicContact CB-CD2 4.49Å; I448-L489 HydrophobicContact CD1-CD2 4.13Å; I448-L489 HydrophobicContact CG2-CD1 4.05Å; I448-L489 HydrophobicContact CG2-CD2 4.21Å; Q449-L489 HydrophobicContact CG-CD1 3.83Å; R485-L489 PolarHBondContact O-N 2.87Å; I486-L489 PolarHBondContact O-N 3.04Å; L489-A491 VanDerWaalsContact C-N 3.32Å; L489-A491 PolarHBondContact O-N 3.19Å; L489-L492 WeakPolarHBondContact O-CB 3.4Å; L489-L492 PolarHBondContact O-N 2.81Å; L489-L493 HydrophobicContact CD1-CD1 4.23Å; L489-L493 HydrophobicContact CD1-CG 4.46Å; L489-L493 HydrophobicContact CG-CD1 4.05Å; L489-L493 WeakPolarHBondContact O-CG 3.32Å; L489-L493 PolarHBondContact O-N 3.15Å; L489-M535 HydrophobicContact CB-CE 4.2Å; L489-M535 HydrophobicContact CD2-CE 3.79Å; L489-M535 HydrophobicContact CD2-SD 3.73Å; L489-M535 HydrophobicContact CG-CE 4.08Å; L489-M535 HydrophobicContact CG-SD 4.36Å |
| 490 | F | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 173.3 | 175.1 | -99.7 | 0 | 0 | 0 | 112.3 | I486 I487 L492 L493 S494 I532 L536 L563 F564 F567 | I486-F490 PolarHBondContact O-N 3.1Å; I487-F490 WeakPolarHBondContact O-CB 3.41Å; I487-F490 PolarHBondContact O-N 3.36Å; F490-L492 VanDerWaalsContact C-N 3.33Å; F490-L492 PolarHBondContact O-N 2.91Å; F490-L493 PolarHBondContact O-N 3.42Å; F490-S494 WeakPolarHBondContact O-CB 3.47Å; F490-S494 PolarHBondContact O-N 3.49Å; F490-S494 PolarHBondContact O-OG 3.28Å; F490-I532 HydrophobicContact CD2-CG2 4.45Å; F490-I532 HydrophobicContact CE2-CG2 3.84Å; F490-L536 HydrophobicContact CD2-CD2 4.15Å; F490-L536 HydrophobicContact CD2-CG 4.3Å; F490-L536 HydrophobicContact CE2-CD1 4.08Å; F490-L536 HydrophobicContact CE2-CD2 3.46Å; F490-L536 VanDerWaalsContact CE2-CD2 3.46Å; F490-L536 HydrophobicContact CE2-CG 3.66Å; F490-L536 HydrophobicContact CZ-CD2 3.81Å; F490-L536 HydrophobicContact CZ-CG 4.41Å; F490-L563 HydrophobicContact CE1-CB 4.23Å; F490-F564 HydrophobicContact CD1-CD1 4.49Å; F490-F564 AromaticContact CD1-CE1 3.95Å; F490-F564 HydrophobicContact CD1-CE1 3.95Å; F490-F564 HydrophobicContact CD1-CZ 4.22Å; F490-F564 AromaticContact CE1-CD1 3.7Å; F490-F564 HydrophobicContact CE1-CD1 3.7Å; F490-F564 AromaticContact CE1-CE1 3.59Å; F490-F564 HydrophobicContact CE1-CE1 3.59Å; F490-F564 HydrophobicContact CE1-CG 4.39Å; F490-F564 HydrophobicContact CE1-CZ 4.19Å; F490-F564 AromaticContact CZ-CD1 3.86Å; F490-F564 HydrophobicContact CZ-CD1 3.86Å; F490-F564 AromaticContact CZ-CE1 3.92Å; F490-F564 HydrophobicContact CZ-CE1 3.92Å; F490-F567 HydrophobicContact CE1-CD2 4.28Å; F490-F567 AromaticContact CE1-CE2 3.92Å; F490-F567 HydrophobicContact CE1-CE2 3.92Å; F490-F567 HydrophobicContact CE2-CD2 4.4Å; F490-F567 HydrophobicContact CE2-CE2 4.06Å; F490-F567 AromaticContact CZ-CD2 3.52Å; F490-F567 HydrophobicContact CZ-CD2 3.52Å; F490-F567 AromaticContact CZ-CE2 3.3Å; F490-F567 HydrophobicContact CZ-CE2 3.3Å; F490-F567 HydrophobicContact CZ-CZ 4.21Å |
| 491 | A | 93.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I487 S488 L489 S494 K495 L563 | I487-A491 PolarHBondContact O-N 3.33Å; S488-A491 WeakPolarHBondContact O-CB 3.28Å; S488-A491 PolarHBondContact O-N 3.18Å; L489-A491 VanDerWaalsContact C-N 3.32Å; L489-A491 PolarHBondContact O-N 3.19Å; A491-S494 PolarHBondContact O-N 2.8Å; A491-K495 WeakPolarHBondContact O-CB 3.39Å; A491-K495 PolarHBondContact O-N 3.48Å; A491-L563 HydrophobicContact CB-CD1 3.57Å; A491-L563 HydrophobicContact CB-CD2 4.35Å |
| 492 | L | 92.6 | Very high | 92.9 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 177.5 | -179.9 | 68.2 | 0 | 0 | 0 | 111.4 | Q449 S488 L489 F490 K495 K496 | Q449-L492 HydrophobicContact CG-CD2 3.96Å; S488-L492 PolarHBondContact O-N 3.29Å; L489-L492 WeakPolarHBondContact O-CB 3.4Å; L489-L492 PolarHBondContact O-N 2.81Å; F490-L492 VanDerWaalsContact C-N 3.33Å; F490-L492 PolarHBondContact O-N 2.91Å; L492-K495 PolarHBondContact O-N 2.75Å; L492-K496 PolarHBondContact O-N 3.22Å |
| 493 | L | 90.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 176.3 | -77.8 | 159.7 | 0 | 0 | 0 | 111.5 | M452 L489 F490 K495 K496 H497 V531 I532 M535 | M452-L493 HydrophobicContact CE-CD2 3.27Å; M452-L493 HydrophobicContact CE-CG 4.18Å; M452-L493 HydrophobicContact SD-CD2 3.55Å; M452-L493 VanDerWaalsContact SD-CD2 3.55Å; M452-L493 HydrophobicContact SD-CG 4.14Å; L489-L493 HydrophobicContact CD1-CD1 4.23Å; L489-L493 HydrophobicContact CD1-CG 4.46Å; L489-L493 HydrophobicContact CG-CD1 4.05Å; L489-L493 WeakPolarHBondContact O-CG 3.32Å; L489-L493 PolarHBondContact O-N 3.15Å; F490-L493 PolarHBondContact O-N 3.42Å; L493-K495 VanDerWaalsContact C-N 3.35Å; L493-K495 PolarHBondContact O-N 3.47Å; L493-K496 WeakPolarHBondContact O-CB 3.42Å; L493-K496 PolarHBondContact O-N 2.86Å; L493-K496 VanDerWaalsContact O-N 3.14Å; L493-H497 PolarHBondContact O-N 3.29Å; L493-V531 HydrophobicContact CD1-CG1 3.74Å; L493-V531 HydrophobicContact CD2-CB 4.1Å; L493-V531 HydrophobicContact CD2-CG1 3.5Å; L493-V531 HydrophobicContact CG-CG1 4.29Å; L493-I532 HydrophobicContact CB-CD1 4.27Å; L493-I532 HydrophobicContact CB-CG1 3.69Å; L493-M535 HydrophobicContact CD1-CG 3.75Å |
| 494 | S | 91.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 112 | F490 A491 K496 H497 N498 F567 | F490-S494 WeakPolarHBondContact O-CB 3.47Å; F490-S494 PolarHBondContact O-N 3.49Å; F490-S494 PolarHBondContact O-OG 3.28Å; A491-S494 PolarHBondContact O-N 2.8Å; S494-K496 VanDerWaalsContact C-N 3.33Å; S494-K496 PolarHBondContact O-N 3.23Å; S494-H497 PolarHBondContact O-N 2.98Å; S494-N498 PolarHBondContact O-N 3.22Å; S494-F567 VanDerWaalsContact OG-CE2 3.26Å; S494-F567 WeakPolarHBondContact OG-CE2 3.28Å; S494-F567 VanDerWaalsContact OG-CZ 3.3Å; S494-F567 WeakPolarHBondContact OG-CZ 3.29Å |
| 495 | K | 92.2 | Very high | 91.4 | Very high | 162 Ų | 162 | 47.7 Ų | 47.7 | 70% | 0.704 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.7 | -38.3 | 176.3 | -173.3 | 177.4 | -178.9 | 179.1 | 0 | 111.7 | A491 L492 L493 K499 | A491-K495 WeakPolarHBondContact O-CB 3.39Å; A491-K495 PolarHBondContact O-N 3.48Å; L492-K495 PolarHBondContact O-N 2.75Å; L493-K495 VanDerWaalsContact C-N 3.35Å; L493-K495 PolarHBondContact O-N 3.47Å; K495-K499 WeakPolarHBondContact O-CB 3.5Å; K495-K499 PolarHBondContact O-N 2.96Å; K495-K499 VanDerWaalsContact O-N 3.09Å |
| 496 | K | 89.3 | Confident | 90.7 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 176.3 | -166.9 | -179.5 | 178.7 | 178.4 | 0 | 110.7 | M452 L492 L493 S494 K499 V500 I528 | M452-K496 HydrophobicContact CE-CD 3.48Å; M452-K496 VanDerWaalsContact CE-CD 3.48Å; M452-K496 PolarHBondContact O-NZ 2.94Å; M452-K496 VanDerWaalsContact O-NZ 3.11Å; L492-K496 PolarHBondContact O-N 3.22Å; L493-K496 WeakPolarHBondContact O-CB 3.42Å; L493-K496 PolarHBondContact O-N 2.86Å; L493-K496 VanDerWaalsContact O-N 3.14Å; S494-K496 VanDerWaalsContact C-N 3.33Å; S494-K496 PolarHBondContact O-N 3.23Å; K496-K499 PolarHBondContact O-N 3.23Å; K496-V500 WeakPolarHBondContact O-CG2 3.46Å; K496-V500 PolarHBondContact O-N 3.03Å; K496-I528 HydrophobicContact CD-CD1 4.04Å; K496-I528 HydrophobicContact CD-CG1 4.47Å; K496-I528 HydrophobicContact CG-CD1 3.93Å |
| 497 | H | 90.7 | Very high | 89.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.8 | -55.2 | 174.4 | 178.7 | -90.7 | 0 | 0 | 0 | 111.3 | L493 S494 K499 V500 L501 I528 E529 I532 | L493-H497 PolarHBondContact O-N 3.29Å; S494-H497 PolarHBondContact O-N 2.98Å; H497-K499 VanDerWaalsContact C-N 3.28Å; H497-K499 PolarHBondContact O-N 3.22Å; H497-V500 PolarHBondContact O-N 3.46Å; H497-V500 VanDerWaalsContact O-N 3.14Å; H497-L501 WeakPolarHBondContact O-CB 3.38Å; H497-L501 PolarHBondContact O-N 2.61Å; H497-I528 HydrophobicContact CB-CG2 3.71Å; H497-E529 IonicContact CD2-OE1 2.91Å; H497-E529 IonicContact CE1-OE1 3.35Å; H497-E529 WeakPolarHBondContact NE2-CG 3.31Å; H497-E529 IonicContact NE2-OE1 3.55Å; H497-E529 PolarHBondContact NE2-OE1 3.43Å; H497-I532 HydrophobicContact CB-CD1 3.76Å |
| 498 | N | 90.9 | Very high | 88.9 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.6 | -40.4 | 179.2 | -72.4 | -18.3 | 0 | 0 | 0 | 112.6 | S494 L501 E502 Q566 | S494-N498 PolarHBondContact O-N 3.22Å; N498-L501 PolarHBondContact O-N 3.18Å; N498-E502 WeakPolarHBondContact O-CB 3.47Å; N498-E502 PolarHBondContact O-N 3.14Å; N498-Q566 PolarHBondContact ND2-OE1 3.05Å |
| 499 | K | 90.7 | Very high | 87.9 | Confident | 128 Ų | 128 | 64.9 Ų | 64.9 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 177.8 | -175.3 | -179.6 | 178.7 | -177.2 | 0 | 112.1 | K495 K496 H497 E502 Q503 | K495-K499 WeakPolarHBondContact O-CB 3.5Å; K495-K499 PolarHBondContact O-N 2.96Å; K495-K499 VanDerWaalsContact O-N 3.09Å; K496-K499 PolarHBondContact O-N 3.23Å; H497-K499 VanDerWaalsContact C-N 3.28Å; H497-K499 PolarHBondContact O-N 3.22Å; K499-E502 PolarHBondContact O-N 3.34Å; K499-Q503 VanDerWaalsContact O-CG 3.26Å; K499-Q503 WeakPolarHBondContact O-CG 3.49Å; K499-Q503 PolarHBondContact O-N 2.88Å |
| 500 | V | 88.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | K496 H497 E502 Q503 A504 Y521 D524 L525 I528 | K496-V500 WeakPolarHBondContact O-CG2 3.46Å; K496-V500 PolarHBondContact O-N 3.03Å; H497-V500 PolarHBondContact O-N 3.46Å; H497-V500 VanDerWaalsContact O-N 3.14Å; V500-E502 PolarHBondContact O-N 2.75Å; V500-Q503 PolarHBondContact O-N 2.79Å; V500-A504 WeakPolarHBondContact O-CB 3.35Å; V500-A504 PolarHBondContact O-N 3.29Å; V500-Y521 HydrophobicContact CG1-CD1 4.24Å; V500-D524 HydrophobicContact CG1-CB 4.36Å; V500-L525 HydrophobicContact CB-CD2 3.95Å; V500-L525 HydrophobicContact CB-CG 4.36Å; V500-L525 HydrophobicContact CG1-CD1 4.46Å; V500-L525 HydrophobicContact CG1-CD2 3.89Å; V500-L525 HydrophobicContact CG1-CG 3.73Å; V500-I528 HydrophobicContact CB-CD1 4.46Å; V500-I528 HydrophobicContact CG2-CD1 3.92Å |
| 501 | L | 88.1 | Confident | 84.8 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 38% | 0.377 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.5 | -179 | 62.9 | 0 | 0 | 0 | 111.9 | H497 N498 A504 T505 L525 | H497-L501 WeakPolarHBondContact O-CB 3.38Å; H497-L501 PolarHBondContact O-N 2.61Å; N498-L501 PolarHBondContact O-N 3.18Å; L501-A504 PolarHBondContact O-N 3Å; L501-T505 WeakPolarHBondContact O-CB 3.01Å; L501-T505 PolarHBondContact O-N 2.96Å; L501-T505 PolarHBondContact O-OG1 3.37Å; L501-L525 HydrophobicContact CB-CD2 4.08Å; L501-L525 HydrophobicContact CD1-CD1 4.21Å |
| 502 | E | 89.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 82 Ų | 82 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 174.5 | -173.1 | -179.7 | -175 | 0 | 0 | 111.1 | N498 K499 V500 A504 T505 Q506 | N498-E502 WeakPolarHBondContact O-CB 3.47Å; N498-E502 PolarHBondContact O-N 3.14Å; K499-E502 PolarHBondContact O-N 3.34Å; V500-E502 PolarHBondContact O-N 2.75Å; E502-A504 PolarHBondContact O-N 3.18Å; E502-T505 PolarHBondContact O-N 3.43Å; E502-Q506 HydrophobicContact CG-CG 4.38Å; E502-Q506 WeakPolarHBondContact O-CB 3.48Å; E502-Q506 VanDerWaalsContact O-CG 3.29Å; E502-Q506 WeakPolarHBondContact O-CG 3.46Å; E502-Q506 PolarHBondContact O-N 3.48Å; E502-Q506 PolarHBondContact OE1-NE2 3.48Å |
| 503 | Q | 87.1 | Confident | 80.9 | Confident | 76 Ų | 76 | 82 Ų | 82 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 176.5 | -73.3 | 175.5 | -16.5 | 0 | 0 | 112.2 | K499 V500 Q506 S507 Y521 | K499-Q503 VanDerWaalsContact O-CG 3.26Å; K499-Q503 WeakPolarHBondContact O-CG 3.49Å; K499-Q503 PolarHBondContact O-N 2.88Å; V500-Q503 PolarHBondContact O-N 2.79Å; Q503-Q506 PolarHBondContact O-N 2.92Å; Q503-S507 WeakPolarHBondContact O-CB 3.36Å; Q503-S507 PolarHBondContact O-N 3.38Å; Q503-Y521 HydrophobicContact CB-CE1 4.37Å |
| 504 | A | 85.3 | Confident | 79 | Confident | 15 Ų | 15 | 88.5 Ų | 88.5 | 12% | 0.124 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V500 L501 E502 S507 L508 Y521 L525 | V500-A504 WeakPolarHBondContact O-CB 3.35Å; V500-A504 PolarHBondContact O-N 3.29Å; L501-A504 PolarHBondContact O-N 3Å; E502-A504 PolarHBondContact O-N 3.18Å; A504-S507 PolarHBondContact O-N 3.47Å; A504-L508 WeakPolarHBondContact O-CG 3.4Å; A504-L508 PolarHBondContact O-N 3.48Å; A504-L508 VanDerWaalsContact O-N 3.08Å; A504-Y521 HydrophobicContact CB-CG 4.37Å; A504-L525 HydrophobicContact CB-CD1 4.28Å |
| 505 | T | 85.5 | Confident | 77 | Confident | 54 Ų | 54 | 96.9 Ų | 96.9 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 179.6 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | L501 E502 L508 R509 | L501-T505 WeakPolarHBondContact O-CB 3.01Å; L501-T505 PolarHBondContact O-N 2.96Å; L501-T505 PolarHBondContact O-OG1 3.37Å; E502-T505 PolarHBondContact O-N 3.43Å; T505-L508 PolarHBondContact O-N 3.26Å; T505-R509 WeakPolarHBondContact O-CG 3.22Å; T505-R509 PolarHBondContact O-N 2.93Å; T505-R509 VanDerWaalsContact O-N 3.11Å |
| 506 | Q | 84.1 | Confident | 75.3 | Confident | 111 Ų | 111 | 94.2 Ų | 94.2 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 176.8 | -73.1 | 177.6 | 6.2 | 0 | 0 | 111.7 | E502 Q503 L508 R509 G510 | E502-Q506 HydrophobicContact CG-CG 4.38Å; E502-Q506 WeakPolarHBondContact O-CB 3.48Å; E502-Q506 VanDerWaalsContact O-CG 3.29Å; E502-Q506 WeakPolarHBondContact O-CG 3.46Å; E502-Q506 PolarHBondContact O-N 3.48Å; E502-Q506 PolarHBondContact OE1-NE2 3.48Å; Q503-Q506 PolarHBondContact O-N 2.92Å; Q506-L508 VanDerWaalsContact C-N 3.33Å; Q506-L508 PolarHBondContact O-N 2.9Å; Q506-R509 PolarHBondContact O-N 3.35Å; Q506-G510 PolarHBondContact O-N 2.99Å |
| 507 | S | 78.2 | Confident | 73.6 | Confident | 41 Ų | 41 | 95.6 Ų | 95.6 | 29% | 0.287 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | Q503 A504 R509 | Q503-S507 WeakPolarHBondContact O-CB 3.36Å; Q503-S507 PolarHBondContact O-N 3.38Å; A504-S507 PolarHBondContact O-N 3.47Å; S507-R509 VanDerWaalsContact C-N 3.35Å; S507-R509 PolarHBondContact O-N 2.96Å |
| 508 | L | 75.8 | Confident | 71.9 | Confident | 125 Ų | 125 | 100.3 Ų | 100.3 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.5 | -34 | 174.9 | -72.4 | 164.7 | 0 | 0 | 0 | 112.8 | A504 T505 Q506 | A504-L508 WeakPolarHBondContact O-CG 3.4Å; A504-L508 PolarHBondContact O-N 3.48Å; A504-L508 VanDerWaalsContact O-N 3.08Å; T505-L508 PolarHBondContact O-N 3.26Å; Q506-L508 VanDerWaalsContact C-N 3.33Å; Q506-L508 PolarHBondContact O-N 2.9Å |
| 509 | R | 73.3 | Confident | 70.5 | Confident | 212 Ų | 212 | 100.5 Ų | 100.5 | 80% | 0.8 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -79.7 | -26.7 | 178.8 | -73.7 | -179.9 | -179.1 | -176.8 | 2.1 | 114.1 | T505 Q506 S507 R511 | T505-R509 WeakPolarHBondContact O-CG 3.22Å; T505-R509 PolarHBondContact O-N 2.93Å; T505-R509 VanDerWaalsContact O-N 3.11Å; Q506-R509 PolarHBondContact O-N 3.35Å; S507-R509 VanDerWaalsContact C-N 3.35Å; S507-R509 PolarHBondContact O-N 2.96Å; R509-R511 VanDerWaalsContact C-N 3.29Å; R509-R511 PolarHBondContact O-N 2.98Å |
| 510 | G | 66.8 | Low | 69.6 | Low | 67 Ų | 67 | 98 Ų | 98 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q506 Q512 | Q506-G510 PolarHBondContact O-N 2.99Å; G510-Q512 PolarHBondContact O-N 3.42Å |
| 511 | R | 58.1 | Low | 69.1 | Low | 115 Ų | 115 | 100.3 Ų | 100.3 | 43% | 0.434 | 55% | 0.552 | S | S | . | * | trans | -91.9 | 93.4 | -172.2 | -84.3 | 178.2 | 163.4 | -165.1 | -9.6 | 113.4 | R509 L518 | R509-R511 VanDerWaalsContact C-N 3.29Å; R509-R511 PolarHBondContact O-N 2.98Å; R511-L518 VanDerWaalsContact NH2-CG 3.28Å | ||
| 512 | Q | 51.8 | Low | 68.6 | Low | 205 Ų | 205 | 99.7 Ų | 99.7 | 96% | 0.958 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -125 | 84.6 | 145.7 | -79.2 | -178.3 | -15.9 | 0 | 0 | 107.7 | G510 | G510-Q512 PolarHBondContact O-N 3.42Š|
| 513 | G | 51.4 | Low | 68.1 | Low | 73 Ų | 73 | 100.1 Ų | 100.1 | 75% | 0.753 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 132.7 | -7.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||
| 514 | D | 50.4 | Low | 67.8 | Low | 135 Ų | 135 | 100.4 Ų | 100.4 | 72% | 0.722 | 56% | 0.563 | S | S | * | * | trans | -118.2 | 125 | -176.1 | -89.3 | -26.3 | 0 | 0 | 0 | 115.6 | T516 | D514-T516 VanDerWaalsContact C-N 3.32Å; D514-T516 PolarHBondContact O-N 2.85Å | ||
| 515 | N | 50.6 | Low | 67.7 | Low | 179 Ų | 179 | 100.5 Ų | 100.5 | 96% | 0.957 | 56% | 0.562 | S | S | * | * | trans | -85.1 | 56.1 | 176.1 | -84.8 | -17.6 | 0 | 0 | 0 | 111.9 | ||||
| 516 | T | 55.8 | Low | 67.7 | Low | 106 Ų | 106 | 102.3 Ų | 102.3 | 65% | 0.65 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 140.3 | 165 | 43.5 | 0 | 0 | 0 | 0 | 110.2 | D514 L518 | D514-T516 VanDerWaalsContact C-N 3.32Å; D514-T516 PolarHBondContact O-N 2.85Å; T516-L518 PolarHBondContact O-N 3.06Å |
| 517 | A | 54.4 | Low | 67.6 | Low | 100 Ų | 100 | 100.6 Ų | 100.6 | 83% | 0.826 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 128 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 518 | L | 55.1 | Low | 68 | Low | 101 Ų | 101 | 99.1 Ų | 99.1 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 131.7 | 179.2 | -82.1 | 141.6 | 0 | 0 | 0 | 109.8 | R511 T516 D520 | R511-L518 VanDerWaalsContact NH2-CG 3.28Å; T516-L518 PolarHBondContact O-N 3.06Å; L518-D520 PolarHBondContact O-N 2.9Å |
| 519 | P | 61.3 | Low | 68.7 | Low | 69 Ų | 69 | 94.9 Ų | 94.9 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 135.6 | 156.6 | -14.5 | 28.6 | 0 | 0 | 0 | 108 | Y521 | P519-Y521 HydrophobicContact CB-CD2 3.96Å; P519-Y521 HydrophobicContact CB-CE1 4.22Å; P519-Y521 HydrophobicContact CB-CE2 3.5Å; P519-Y521 HydrophobicContact CB-CG 4.5Å; P519-Y521 HydrophobicContact CG-CD2 4.36Å; P519-Y521 HydrophobicContact CG-CE2 3.52Å; P519-Y521 VanDerWaalsContact O-CD2 3.23Å; P519-Y521 WeakPolarHBondContact O-CD2 3.47Å; P519-Y521 PolarHBondContact O-N 3.49Å |
| 520 | D | 70.4 | Confident | 69.4 | Low | 76 Ų | 76 | 90.9 Ų | 90.9 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | trans | -77.9 | 64.4 | -177.2 | -157.5 | -23.3 | 0 | 0 | 0 | 111.9 | L518 A522 Q523 D524 | L518-D520 PolarHBondContact O-N 2.9Å; D520-A522 PolarHBondContact O-N 3.31Å; D520-A522 PolarHBondContact OD1-N 3.48Å; D520-Q523 HydrophobicContact CB-CB 4.24Å; D520-Q523 HydrophobicContact CB-CG 4.43Å; D520-Q523 VanDerWaalsContact CG-CD 3.48Å; D520-Q523 PolarHBondContact O-N 2.8Å; D520-Q523 WeakPolarHBondContact OD1-CB 3.29Å; D520-Q523 WeakPolarHBondContact OD1-CG 3.17Å; D520-Q523 PolarHBondContact OD1-N 2.94Å; D520-Q523 WeakPolarHBondContact OD2-CG 2.99Å; D520-Q523 PolarHBondContact OD2-NE2 3.25Å; D520-D524 PolarHBondContact O-N 2.96Å; D520-D524 VanDerWaalsContact O-N 3.13Å | ||
| 521 | Y | 78.4 | Confident | 70.4 | Confident | 61 Ų | 61 | 88.5 Ų | 88.5 | 24% | 0.239 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -59.9 | -24.9 | 176.6 | -63.9 | -69.6 | 0 | 0 | 0 | 112.3 | V500 Q503 A504 P519 L525 | V500-Y521 HydrophobicContact CG1-CD1 4.24Å; Q503-Y521 HydrophobicContact CB-CE1 4.37Å; A504-Y521 HydrophobicContact CB-CG 4.37Å; P519-Y521 HydrophobicContact CB-CD2 3.96Å; P519-Y521 HydrophobicContact CB-CE1 4.22Å; P519-Y521 HydrophobicContact CB-CE2 3.5Å; P519-Y521 HydrophobicContact CB-CG 4.5Å; P519-Y521 HydrophobicContact CG-CD2 4.36Å; P519-Y521 HydrophobicContact CG-CE2 3.52Å; P519-Y521 VanDerWaalsContact O-CD2 3.23Å; P519-Y521 WeakPolarHBondContact O-CD2 3.47Å; P519-Y521 PolarHBondContact O-N 3.49Å; Y521-L525 VanDerWaalsContact O-CB 3.29Å; Y521-L525 WeakPolarHBondContact O-CB 3.26Å; Y521-L525 WeakPolarHBondContact O-CD1 3.48Å; Y521-L525 WeakPolarHBondContact O-CG 3.31Å; Y521-L525 PolarHBondContact O-N 3.04Å |
| 522 | A | 77.3 | Confident | 72.1 | Confident | 59 Ų | 59 | 83 Ų | 83 | 49% | 0.488 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.8 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D520 L525 N526 | D520-A522 PolarHBondContact O-N 3.31Å; D520-A522 PolarHBondContact OD1-N 3.48Å; A522-L525 PolarHBondContact O-N 3.49Å; A522-N526 WeakPolarHBondContact O-CB 3.4Å; A522-N526 PolarHBondContact O-N 3.44Å; A522-N526 PolarHBondContact O-ND2 3.45Å |
| 523 | Q | 78.6 | Confident | 74.1 | Confident | 123 Ų | 123 | 77.1 Ų | 77.1 | 58% | 0.575 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 172.5 | -75 | -177.3 | 20.6 | 0 | 0 | 112 | D520 L525 N526 V527 | D520-Q523 HydrophobicContact CB-CB 4.24Å; D520-Q523 HydrophobicContact CB-CG 4.43Å; D520-Q523 VanDerWaalsContact CG-CD 3.48Å; D520-Q523 PolarHBondContact O-N 2.8Å; D520-Q523 WeakPolarHBondContact OD1-CB 3.29Å; D520-Q523 WeakPolarHBondContact OD1-CG 3.17Å; D520-Q523 PolarHBondContact OD1-N 2.94Å; D520-Q523 WeakPolarHBondContact OD2-CG 2.99Å; D520-Q523 PolarHBondContact OD2-NE2 3.25Å; Q523-L525 VanDerWaalsContact C-N 3.29Å; Q523-L525 PolarHBondContact O-N 3.3Å; Q523-N526 PolarHBondContact O-N 3.11Å; Q523-V527 WeakPolarHBondContact O-CG2 3.49Å; Q523-V527 PolarHBondContact O-N 3.39Å |
| 524 | D | 80.4 | Confident | 76.1 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 177.7 | -83.8 | -14.4 | 0 | 0 | 0 | 112 | V500 D520 I528 | V500-D524 HydrophobicContact CG1-CB 4.36Å; D520-D524 PolarHBondContact O-N 2.96Å; D520-D524 VanDerWaalsContact O-N 3.13Å; D524-I528 WeakPolarHBondContact O-CD1 3.43Å; D524-I528 VanDerWaalsContact O-CG1 3.22Å; D524-I528 WeakPolarHBondContact O-CG1 3.25Å; D524-I528 PolarHBondContact O-N 2.84Å; D524-I528 VanDerWaalsContact O-N 3.14Å |
| 525 | L | 84.7 | Confident | 78.1 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.9 | -47.8 | 174.5 | -80.5 | 168 | 0 | 0 | 0 | 111.7 | V500 L501 A504 Y521 A522 Q523 V527 I528 E529 | V500-L525 HydrophobicContact CB-CD2 3.95Å; V500-L525 HydrophobicContact CB-CG 4.36Å; V500-L525 HydrophobicContact CG1-CD1 4.46Å; V500-L525 HydrophobicContact CG1-CD2 3.89Å; V500-L525 HydrophobicContact CG1-CG 3.73Å; L501-L525 HydrophobicContact CB-CD2 4.08Å; L501-L525 HydrophobicContact CD1-CD1 4.21Å; A504-L525 HydrophobicContact CB-CD1 4.28Å; Y521-L525 VanDerWaalsContact O-CB 3.29Å; Y521-L525 WeakPolarHBondContact O-CB 3.26Å; Y521-L525 WeakPolarHBondContact O-CD1 3.48Å; Y521-L525 WeakPolarHBondContact O-CG 3.31Å; Y521-L525 PolarHBondContact O-N 3.04Å; A522-L525 PolarHBondContact O-N 3.49Å; Q523-L525 VanDerWaalsContact C-N 3.29Å; Q523-L525 PolarHBondContact O-N 3.3Å; L525-V527 VanDerWaalsContact C-N 3.33Å; L525-V527 PolarHBondContact O-N 3.45Å; L525-I528 PolarHBondContact O-N 3.12Å; L525-I528 VanDerWaalsContact O-N 3.14Å; L525-E529 WeakPolarHBondContact O-CG 3.39Å; L525-E529 PolarHBondContact O-N 2.95Å |
| 526 | N | 84.3 | Confident | 80.2 | Confident | 91 Ų | 91 | 60.6 Ų | 60.6 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 179.2 | -72.7 | -18.6 | 0 | 0 | 0 | 111.6 | A522 Q523 I528 E529 E530 | A522-N526 WeakPolarHBondContact O-CB 3.4Å; A522-N526 PolarHBondContact O-N 3.44Å; A522-N526 PolarHBondContact O-ND2 3.45Å; Q523-N526 PolarHBondContact O-N 3.11Å; N526-I528 PolarHBondContact O-N 3.11Å; N526-E529 PolarHBondContact O-N 3.28Å; N526-E530 WeakPolarHBondContact O-CG 3.21Å; N526-E530 PolarHBondContact O-N 2.82Å |
| 527 | V | 83 | Confident | 82.1 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 111 | Q523 L525 E529 E530 V531 | Q523-V527 WeakPolarHBondContact O-CG2 3.49Å; Q523-V527 PolarHBondContact O-N 3.39Å; L525-V527 VanDerWaalsContact C-N 3.33Å; L525-V527 PolarHBondContact O-N 3.45Å; V527-E529 VanDerWaalsContact C-N 3.32Å; V527-E529 PolarHBondContact O-N 3.14Å; V527-E530 PolarHBondContact O-N 3.29Å; V527-V531 VanDerWaalsContact O-CG2 3.28Å; V527-V531 WeakPolarHBondContact O-CG2 3.47Å; V527-V531 PolarHBondContact O-N 3.37Å; V527-V531 VanDerWaalsContact O-N 3.09Å |
| 528 | I | 87 | Confident | 84.1 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 177.2 | -66 | 164.4 | 0 | 0 | 0 | 110.7 | K496 H497 V500 D524 L525 N526 V531 I532 | K496-I528 HydrophobicContact CD-CD1 4.04Å; K496-I528 HydrophobicContact CD-CG1 4.47Å; K496-I528 HydrophobicContact CG-CD1 3.93Å; H497-I528 HydrophobicContact CB-CG2 3.71Å; V500-I528 HydrophobicContact CB-CD1 4.46Å; V500-I528 HydrophobicContact CG2-CD1 3.92Å; D524-I528 WeakPolarHBondContact O-CD1 3.43Å; D524-I528 VanDerWaalsContact O-CG1 3.22Å; D524-I528 WeakPolarHBondContact O-CG1 3.25Å; D524-I528 PolarHBondContact O-N 2.84Å; D524-I528 VanDerWaalsContact O-N 3.14Å; L525-I528 PolarHBondContact O-N 3.12Å; L525-I528 VanDerWaalsContact O-N 3.14Å; N526-I528 PolarHBondContact O-N 3.11Å; I528-V531 PolarHBondContact O-N 2.72Å; I528-I532 HydrophobicContact CG2-CD1 3.8Å; I528-I532 HydrophobicContact CG2-CG1 4.29Å; I528-I532 WeakPolarHBondContact O-CB 3.34Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.34Å; I528-I532 PolarHBondContact O-N 3.37Å |
| 529 | E | 89.6 | Confident | 86 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 177.2 | -73 | -169.3 | -169.9 | 0 | 0 | 112.4 | H497 L525 N526 V527 V531 I532 R533 H570 S572 F573 | H497-E529 IonicContact CD2-OE1 2.91Å; H497-E529 IonicContact CE1-OE1 3.35Å; H497-E529 WeakPolarHBondContact NE2-CG 3.31Å; H497-E529 IonicContact NE2-OE1 3.55Å; H497-E529 PolarHBondContact NE2-OE1 3.43Å; L525-E529 WeakPolarHBondContact O-CG 3.39Å; L525-E529 PolarHBondContact O-N 2.95Å; N526-E529 PolarHBondContact O-N 3.28Å; V527-E529 VanDerWaalsContact C-N 3.32Å; V527-E529 PolarHBondContact O-N 3.14Å; E529-V531 VanDerWaalsContact C-N 3.32Å; E529-V531 PolarHBondContact O-N 3.19Å; E529-I532 PolarHBondContact O-N 3.02Å; E529-R533 WeakPolarHBondContact O-CB 3.37Å; E529-R533 PolarHBondContact O-N 3.4Å; E529-H570 IonicContact OE1-CE1 3.73Å; E529-H570 PolarHBondContact OE1-CE1 3.36Å; E529-H570 IonicContact OE1-NE2 3.68Å; E529-H570 IonicContact OE2-CE1 3.59Å; E529-S572 PolarHBondContact OE2-OG 3.46Å; E529-F573 HydrophobicContact CB-CZ 3.91Å; E529-F573 HydrophobicContact CG-CE2 4.39Å; E529-F573 HydrophobicContact CG-CZ 3.9Å; E529-F573 WeakPolarHBondContact O-CE1 3.42Å |
| 530 | E | 88.4 | Confident | 87.6 | Confident | 128 Ų | 128 | 45.1 Ų | 45.1 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.4 | -44.5 | 174.1 | -74.6 | 176.2 | 172.8 | 0 | 0 | 111.4 | N526 V527 R533 M534 | N526-E530 WeakPolarHBondContact O-CG 3.21Å; N526-E530 PolarHBondContact O-N 2.82Å; V527-E530 PolarHBondContact O-N 3.29Å; E530-R533 PolarHBondContact O-N 2.94Å; E530-M534 WeakPolarHBondContact O-CB 3.45Å; E530-M534 PolarHBondContact O-N 3.45Å |
| 531 | V | 88.3 | Confident | 88.8 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 11% | 0.109 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 178.2 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | L465 L493 V527 I528 E529 R533 M534 M535 | L465-V531 HydrophobicContact CD1-CB 4.3Å; L465-V531 HydrophobicContact CD1-CG1 3.92Å; L465-V531 HydrophobicContact CD1-CG2 3.93Å; L465-V531 HydrophobicContact CD2-CG1 4.43Å; L493-V531 HydrophobicContact CD1-CG1 3.74Å; L493-V531 HydrophobicContact CD2-CB 4.1Å; L493-V531 HydrophobicContact CD2-CG1 3.5Å; L493-V531 HydrophobicContact CG-CG1 4.29Å; V527-V531 VanDerWaalsContact O-CG2 3.28Å; V527-V531 WeakPolarHBondContact O-CG2 3.47Å; V527-V531 PolarHBondContact O-N 3.37Å; V527-V531 VanDerWaalsContact O-N 3.09Å; I528-V531 PolarHBondContact O-N 2.72Å; E529-V531 VanDerWaalsContact C-N 3.32Å; E529-V531 PolarHBondContact O-N 3.19Å; V531-R533 VanDerWaalsContact C-N 3.32Å; V531-R533 PolarHBondContact O-N 3.01Å; V531-M534 PolarHBondContact O-N 2.88Å; V531-M535 WeakPolarHBondContact O-CG 3.39Å; V531-M535 PolarHBondContact O-N 3.2Å |
| 532 | I | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 173.9 | -74.1 | 172.8 | 0 | 0 | 0 | 110.2 | F490 L493 H497 I528 E529 M535 L536 F567 F573 | F490-I532 HydrophobicContact CD2-CG2 4.45Å; F490-I532 HydrophobicContact CE2-CG2 3.84Å; L493-I532 HydrophobicContact CB-CD1 4.27Å; L493-I532 HydrophobicContact CB-CG1 3.69Å; H497-I532 HydrophobicContact CB-CD1 3.76Å; I528-I532 HydrophobicContact CG2-CD1 3.8Å; I528-I532 HydrophobicContact CG2-CG1 4.29Å; I528-I532 WeakPolarHBondContact O-CB 3.34Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.34Å; I528-I532 PolarHBondContact O-N 3.37Å; E529-I532 PolarHBondContact O-N 3.02Å; I532-M535 PolarHBondContact O-N 3.41Å; I532-L536 HydrophobicContact CG2-CD1 4.06Å; I532-L536 WeakPolarHBondContact O-CG 3.35Å; I532-L536 PolarHBondContact O-N 3.43Å; I532-F567 HydrophobicContact CD1-CE1 4.37Å; I532-F567 HydrophobicContact CD1-CZ 4.29Å; I532-F567 HydrophobicContact CG2-CE1 4.23Å; I532-F567 HydrophobicContact CG2-CZ 4.33Å; I532-F573 HydrophobicContact CB-CE1 4.02Å; I532-F573 HydrophobicContact CB-CZ 4.02Å; I532-F573 HydrophobicContact CG2-CD1 4.19Å; I532-F573 HydrophobicContact CG2-CE1 3.56Å; I532-F573 HydrophobicContact CG2-CE2 4.31Å; I532-F573 HydrophobicContact CG2-CZ 3.64Å |
| 533 | R | 93.5 | Very high | 90.4 | Very high | 81 Ų | 81 | 36.7 Ų | 36.7 | 31% | 0.306 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.8 | -49.6 | 178.5 | -171.1 | 170.9 | 176.9 | 113.9 | 3.2 | 110.6 | E529 E530 V531 M535 L536 E537 S572 F573 D575 I576 | E529-R533 WeakPolarHBondContact O-CB 3.37Å; E529-R533 PolarHBondContact O-N 3.4Å; E530-R533 PolarHBondContact O-N 2.94Å; V531-R533 VanDerWaalsContact C-N 3.32Å; V531-R533 PolarHBondContact O-N 3.01Å; R533-M535 VanDerWaalsContact C-N 3.31Å; R533-M535 PolarHBondContact O-N 2.73Å; R533-L536 WeakPolarHBondContact O-CB 3.49Å; R533-L536 PolarHBondContact O-N 3.38Å; R533-L536 VanDerWaalsContact O-N 3.08Å; R533-E537 HydrophobicContact CG-CG 4.49Å; R533-E537 IonicContact CZ-OE1 3.67Å; R533-E537 IonicContact NE-OE1 2.95Å; R533-E537 PolarHBondContact NE-OE1 3.2Å; R533-E537 VanDerWaalsContact NE-OE1 3.14Å; R533-E537 IonicContact NH2-OE1 3.71Å; R533-E537 WeakPolarHBondContact O-CG 3.37Å; R533-E537 PolarHBondContact O-N 2.97Å; R533-S572 PolarHBondContact NH1-O 2.84Å; R533-F573 HydrophobicContact CB-CD1 4.28Å; R533-F573 HydrophobicContact CB-CE1 3.94Å; R533-D575 IonicContact CZ-OD2 3.85Å; R533-D575 IonicContact NH1-OD1 3.64Å; R533-D575 PolarHBondContact NH1-OD1 2.92Å; R533-D575 IonicContact NH1-OD2 2.66Å; R533-D575 IonicContact NH2-OD1 2.91Å; R533-D575 IonicContact NH2-OD2 2.69Å; R533-D575 PolarHBondContact NH2-OD2 2.87Å; R533-I576 HydrophobicContact CG-CD1 3.55Å; R533-I576 VanDerWaalsContact CZ-CD1 3.41Å |
| 534 | M | 93.4 | Very high | 91 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 19% | 0.187 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 177.6 | -171.2 | 55.7 | 61.6 | 0 | 0 | 111.9 | L465 A469 E530 V531 L536 E537 I538 L625 F627 | L465-M534 HydrophobicContact CB-CG 4Å; L465-M534 HydrophobicContact CD1-CB 4.47Å; L465-M534 HydrophobicContact CD1-CG 4.36Å; L465-M534 HydrophobicContact CD2-CG 4.22Å; L465-M534 HydrophobicContact CG-CG 4.43Å; A469-M534 HydrophobicContact CB-SD 4.12Å; E530-M534 WeakPolarHBondContact O-CB 3.45Å; E530-M534 PolarHBondContact O-N 3.45Å; V531-M534 PolarHBondContact O-N 2.88Å; M534-L536 PolarHBondContact O-N 3.36Å; M534-E537 PolarHBondContact O-N 3.29Å; M534-I538 HydrophobicContact CG-CD1 4.14Å; M534-I538 WeakPolarHBondContact O-CB 3.22Å; M534-I538 VanDerWaalsContact O-CG1 3.22Å; M534-I538 WeakPolarHBondContact O-CG1 3.16Å; M534-I538 PolarHBondContact O-N 3.36Å; M534-L625 HydrophobicContact SD-CD2 4.36Å; M534-F627 HydrophobicContact CE-CE1 4.49Å; M534-F627 HydrophobicContact CE-CE2 4.47Å; M534-F627 HydrophobicContact CE-CZ 3.72Å; M534-F627 HydrophobicContact SD-CE2 4.28Å; M534-F627 HydrophobicContact SD-CZ 4.1Å |
| 535 | M | 94.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 174.7 | -75.9 | -63.4 | -59.7 | 0 | 0 | 112.8 | L465 I486 L489 L493 V531 I532 R533 I538 I539 | L465-M535 HydrophobicContact CD2-CG 4.4Å; L465-M535 HydrophobicContact CD2-SD 4.11Å; I486-M535 HydrophobicContact CG2-CE 4.09Å; L489-M535 HydrophobicContact CB-CE 4.2Å; L489-M535 HydrophobicContact CD2-CE 3.79Å; L489-M535 HydrophobicContact CD2-SD 3.73Å; L489-M535 HydrophobicContact CG-CE 4.08Å; L489-M535 HydrophobicContact CG-SD 4.36Å; L493-M535 HydrophobicContact CD1-CG 3.75Å; V531-M535 WeakPolarHBondContact O-CG 3.39Å; V531-M535 PolarHBondContact O-N 3.2Å; I532-M535 PolarHBondContact O-N 3.41Å; R533-M535 VanDerWaalsContact C-N 3.31Å; R533-M535 PolarHBondContact O-N 2.73Å; M535-I538 PolarHBondContact O-N 3.09Å; M535-I538 HydrophobicContact SD-CD1 4.25Å; M535-I539 VanDerWaalsContact O-CG1 3.3Å; M535-I539 WeakPolarHBondContact O-CG1 3.41Å; M535-I539 PolarHBondContact O-N 3.24Å |
| 536 | L | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.5 | -70.2 | 170.4 | 0 | 0 | 0 | 111.9 | F490 I532 R533 M534 I539 N540 F564 F573 I576 M577 L580 | F490-L536 HydrophobicContact CD2-CD2 4.15Å; F490-L536 HydrophobicContact CD2-CG 4.3Å; F490-L536 HydrophobicContact CE2-CD1 4.08Å; F490-L536 HydrophobicContact CE2-CD2 3.46Å; F490-L536 VanDerWaalsContact CE2-CD2 3.46Å; F490-L536 HydrophobicContact CE2-CG 3.66Å; F490-L536 HydrophobicContact CZ-CD2 3.81Å; F490-L536 HydrophobicContact CZ-CG 4.41Å; I532-L536 HydrophobicContact CG2-CD1 4.06Å; I532-L536 WeakPolarHBondContact O-CG 3.35Å; I532-L536 PolarHBondContact O-N 3.43Å; R533-L536 WeakPolarHBondContact O-CB 3.49Å; R533-L536 PolarHBondContact O-N 3.38Å; R533-L536 VanDerWaalsContact O-N 3.08Å; M534-L536 PolarHBondContact O-N 3.36Å; L536-I539 PolarHBondContact O-N 2.94Å; L536-N540 WeakPolarHBondContact O-CB 3.48Å; L536-N540 PolarHBondContact O-N 2.81Å; L536-N540 PolarHBondContact O-ND2 3.5Å; L536-F564 HydrophobicContact CD2-CD1 4.08Å; L536-F564 HydrophobicContact CD2-CE1 3.92Å; L536-F573 HydrophobicContact CD1-CB 4.25Å; L536-F573 HydrophobicContact CD1-CD1 3.88Å; L536-F573 HydrophobicContact CD1-CG 4.23Å; L536-I576 HydrophobicContact CB-CG2 3.74Å; L536-M577 HydrophobicContact CD1-SD 4.23Å; L536-M577 HydrophobicContact CD2-SD 4.23Å; L536-L580 HydrophobicContact CD2-CD1 3.64Å |
| 537 | E | 95.2 | Very high | 92.3 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 20% | 0.201 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | 174.5 | -70.1 | 174.1 | 177.2 | 0 | 0 | 111.1 | R533 M534 I539 N540 S541 I576 L625 | R533-E537 HydrophobicContact CG-CG 4.49Å; R533-E537 IonicContact CZ-OE1 3.67Å; R533-E537 IonicContact NE-OE1 2.95Å; R533-E537 PolarHBondContact NE-OE1 3.2Å; R533-E537 VanDerWaalsContact NE-OE1 3.14Å; R533-E537 IonicContact NH2-OE1 3.71Å; R533-E537 WeakPolarHBondContact O-CG 3.37Å; R533-E537 PolarHBondContact O-N 2.97Å; M534-E537 PolarHBondContact O-N 3.29Å; E537-I539 PolarHBondContact O-N 2.88Å; E537-N540 PolarHBondContact O-N 3.41Å; E537-S541 WeakPolarHBondContact O-CB 3.46Å; E537-S541 PolarHBondContact O-N 3.44Å; E537-I576 HydrophobicContact CG-CD1 3.81Å; E537-I576 HydrophobicContact CG-CG1 4.5Å; E537-L625 HydrophobicContact CB-CD1 3.97Å; E537-L625 HydrophobicContact CB-CD2 4.24Å |
| 538 | I | 95.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.5 | -49 | 173.4 | -73.2 | 163.7 | 0 | 0 | 0 | 111.1 | L465 L468 A469 F475 M534 M535 N540 S541 C542 L625 | L465-I538 HydrophobicContact CD2-CD1 4.41Å; L468-I538 HydrophobicContact CB-CD1 3.91Å; A469-I538 HydrophobicContact CB-CD1 4.23Å; A469-I538 HydrophobicContact CB-CG1 3.93Å; F475-I538 HydrophobicContact CE2-CG2 4.23Å; F475-I538 HydrophobicContact CZ-CG2 4.49Å; M534-I538 HydrophobicContact CG-CD1 4.14Å; M534-I538 WeakPolarHBondContact O-CB 3.22Å; M534-I538 VanDerWaalsContact O-CG1 3.22Å; M534-I538 WeakPolarHBondContact O-CG1 3.16Å; M534-I538 PolarHBondContact O-N 3.36Å; M535-I538 PolarHBondContact O-N 3.09Å; M535-I538 HydrophobicContact SD-CD1 4.25Å; I538-N540 VanDerWaalsContact C-N 3.33Å; I538-N540 PolarHBondContact O-N 3.46Å; I538-S541 PolarHBondContact O-N 2.77Å; I538-C542 PolarHBondContact O-N 3Å; I538-L625 HydrophobicContact CG1-CD1 4.23Å |
| 539 | I | 95.6 | Very high | 93 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 178.1 | -65.8 | 164.9 | 0 | 0 | 0 | 109.4 | I486 I487 M535 L536 E537 S541 C542 L543 L557 L580 | I486-I539 HydrophobicContact CG2-CD1 4.41Å; I486-I539 HydrophobicContact CG2-CG1 4.06Å; I487-I539 HydrophobicContact CD1-CD1 4.04Å; M535-I539 VanDerWaalsContact O-CG1 3.3Å; M535-I539 WeakPolarHBondContact O-CG1 3.41Å; M535-I539 PolarHBondContact O-N 3.24Å; L536-I539 PolarHBondContact O-N 2.94Å; E537-I539 PolarHBondContact O-N 2.88Å; I539-S541 PolarHBondContact O-N 3.08Å; I539-C542 WeakPolarHBondContact O-CB 3.43Å; I539-C542 PolarHBondContact O-N 2.96Å; I539-L543 HydrophobicContact CG2-CD1 3.96Å; I539-L543 HydrophobicContact CG2-CG 4.24Å; I539-L543 VanDerWaalsContact O-CG 3.31Å; I539-L543 WeakPolarHBondContact O-CG 3.17Å; I539-L543 PolarHBondContact O-N 2.97Å; I539-L557 HydrophobicContact CG2-CD1 4.08Å; I539-L580 HydrophobicContact CG2-CD2 3.7Å |
| 540 | N | 95.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 179 | -88.5 | -54.4 | 0 | 0 | 0 | 113.7 | L536 E537 I538 C542 L543 C544 I576 N579 F622 | L536-N540 WeakPolarHBondContact O-CB 3.48Å; L536-N540 PolarHBondContact O-N 2.81Å; L536-N540 PolarHBondContact O-ND2 3.5Å; E537-N540 PolarHBondContact O-N 3.41Å; I538-N540 VanDerWaalsContact C-N 3.33Å; I538-N540 PolarHBondContact O-N 3.46Å; N540-C542 VanDerWaalsContact C-N 3.31Å; N540-C542 PolarHBondContact O-N 2.99Å; N540-L543 PolarHBondContact O-N 3.05Å; N540-C544 WeakPolarHBondContact O-CB 3.49Å; N540-C544 PolarHBondContact O-N 3.42Å; N540-C544 PolarHBondContact O-SG 2.8Å; N540-I576 WeakPolarHBondContact ND2-CG2 3.24Å; N540-I576 PolarHBondContact ND2-O 2.95Å; N540-N579 WeakPolarHBondContact OD1-CB 3.45Å; N540-F622 HydrophobicContact CB-CD2 4.15Å; N540-F622 HydrophobicContact CB-CE2 4.21Å |
| 541 | S | 95.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 24.3 Ų | 24.3 | 11% | 0.112 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | S472 A473 E537 I538 I539 C544 N545 | S472-S541 WeakPolarHBondContact OG-CB 3.11Å; S472-S541 PolarHBondContact OG-OG 2.95Å; A473-S541 PolarHBondContact N-OG 3.22Å; E537-S541 WeakPolarHBondContact O-CB 3.46Å; E537-S541 PolarHBondContact O-N 3.44Å; I538-S541 PolarHBondContact O-N 2.77Å; I539-S541 PolarHBondContact O-N 3.08Å; S541-C544 PolarHBondContact O-N 3.33Å; S541-N545 WeakPolarHBondContact O-CB 3Å; S541-N545 PolarHBondContact O-N 3.31Å; S541-N545 PolarHBondContact O-ND2 2.89Å |
| 542 | C | 94.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 112 | S472 F475 I538 I539 N540 C544 N545 S546 L547 N550 L553 | S472-C542 WeakPolarHBondContact O-CA 3.49Å; F475-C542 HydrophobicContact CD2-CB 3.97Å; I538-C542 PolarHBondContact O-N 3Å; I539-C542 WeakPolarHBondContact O-CB 3.43Å; I539-C542 PolarHBondContact O-N 2.96Å; N540-C542 VanDerWaalsContact C-N 3.31Å; N540-C542 PolarHBondContact O-N 2.99Å; C542-C544 VanDerWaalsContact C-N 3.3Å; C542-C544 PolarHBondContact O-N 3.26Å; C542-N545 PolarHBondContact O-N 3.45Å; C542-S546 CarbonylContact O-C 3.46Å; C542-S546 WeakPolarHBondContact O-CA 3.44Å; C542-S546 PolarHBondContact O-N 3.31Å; C542-S546 PolarHBondContact O-OG 3.32Å; C542-S546 PolarHBondContact SG-OG 3.41Å; C542-S546 VanDerWaalsContact SG-OG 3.4Å; C542-L547 PolarHBondContact O-N 3.46Å; C542-N550 PolarHBondContact SG-ND2 3.04Å; C542-L553 HydrophobicContact CB-CD2 3.98Å; C542-L553 WeakPolarHBondContact SG-CD2 3.45Å |
| 543 | L | 93.4 | Very high | 94 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -34.1 | 179.7 | -64.6 | 176.8 | 0 | 0 | 0 | 113.1 | I539 N540 L547 L557 L580 V583 L619 | I539-L543 HydrophobicContact CG2-CD1 3.96Å; I539-L543 HydrophobicContact CG2-CG 4.24Å; I539-L543 VanDerWaalsContact O-CG 3.31Å; I539-L543 WeakPolarHBondContact O-CG 3.17Å; I539-L543 PolarHBondContact O-N 2.97Å; N540-L543 PolarHBondContact O-N 3.05Å; L543-L547 HydrophobicContact CB-CD1 4.22Å; L543-L547 HydrophobicContact CD2-CD1 3.72Å; L543-L547 HydrophobicContact CD2-CG 4.28Å; L543-L547 VanDerWaalsContact O-CB 3.26Å; L543-L547 WeakPolarHBondContact O-CB 3.39Å; L543-L557 HydrophobicContact CD1-CD1 4.03Å; L543-L557 HydrophobicContact CD2-CD1 4.38Å; L543-L580 HydrophobicContact CD1-CD2 3.62Å; L543-L580 HydrophobicContact CD1-CG 4.49Å; L543-V583 HydrophobicContact CD1-CG2 4.24Å; L543-V583 HydrophobicContact CD2-CG1 4.26Å; L543-L619 WeakPolarHBondContact O-CD1 3.46Å |
| 544 | C | 92.6 | Very high | 94.1 | Very high | 30 Ų | 30 | 21.5 Ų | 21.5 | 20% | 0.203 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -78.3 | -41.9 | 179.4 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | N540 S541 C542 N579 | N540-C544 WeakPolarHBondContact O-CB 3.49Å; N540-C544 PolarHBondContact O-N 3.42Å; N540-C544 PolarHBondContact O-SG 2.8Å; S541-C544 PolarHBondContact O-N 3.33Å; C542-C544 VanDerWaalsContact C-N 3.3Å; C542-C544 PolarHBondContact O-N 3.26Å; C544-N579 PolarHBondContact SG-ND2 3.49Å |
| 545 | N | 91.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 21.7 Ų | 21.7 | 47% | 0.471 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -98 | -38.9 | -167.2 | -63.8 | -58.4 | 0 | 0 | 0 | 113 | A473 S541 C542 | A473-N545 HydrophobicContact CB-CB 4.09Å; A473-N545 WeakPolarHBondContact O-CB 3.4Å; S541-N545 WeakPolarHBondContact O-CB 3Å; S541-N545 PolarHBondContact O-N 3.31Å; S541-N545 PolarHBondContact O-ND2 2.89Å; C542-N545 PolarHBondContact O-N 3.45Å |
| 546 | S | 91 | Very high | 94.3 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 4% | 0.035 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 13.8 | -165.4 | 63.3 | 0 | 0 | 0 | 0 | 115 | F475 C542 H548 H549 N550 | F475-S546 WeakPolarHBondContact O-CB 3.46Å; F475-S546 PolarHBondContact O-OG 3.28Å; C542-S546 CarbonylContact O-C 3.46Å; C542-S546 WeakPolarHBondContact O-CA 3.44Å; C542-S546 PolarHBondContact O-N 3.31Å; C542-S546 PolarHBondContact O-OG 3.32Å; C542-S546 PolarHBondContact SG-OG 3.41Å; C542-S546 VanDerWaalsContact SG-OG 3.4Å; S546-H548 VanDerWaalsContact C-N 3.27Å; S546-H548 PolarHBondContact O-N 3.47Å; S546-H548 VanDerWaalsContact O-N 3.13Å; S546-H549 WeakPolarHBondContact O-CA 3.33Å; S546-H549 WeakPolarHBondContact O-CB 3.47Å; S546-H549 PolarHBondContact O-N 3.02Å; S546-N550 PolarHBondContact O-N 3.32Å; S546-N550 PolarHBondContact O-ND2 3.34Å; S546-N550 PolarHBondContact OG-ND2 3Å |
| 547 | L | 92.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 5% | 0.047 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -48.7 | -44.7 | -179.3 | -173.7 | 151.9 | 0 | 0 | 0 | 114 | C542 L543 H549 N550 V554 V583 F587 A611 L614 | C542-L547 PolarHBondContact O-N 3.46Å; L543-L547 HydrophobicContact CB-CD1 4.22Å; L543-L547 HydrophobicContact CD2-CD1 3.72Å; L543-L547 HydrophobicContact CD2-CG 4.28Å; L543-L547 VanDerWaalsContact O-CB 3.26Å; L543-L547 WeakPolarHBondContact O-CB 3.39Å; L547-H549 PolarHBondContact O-N 2.91Å; L547-H549 VanDerWaalsContact O-N 3.16Å; L547-N550 PolarHBondContact O-N 2.83Å; L547-V554 HydrophobicContact CD1-CG2 4.45Å; L547-V554 HydrophobicContact CD2-CG2 4.27Å; L547-V554 HydrophobicContact CG-CG2 3.98Å; L547-V583 HydrophobicContact CD1-CG1 4.17Å; L547-V583 HydrophobicContact CD1-CG2 3.9Å; L547-F587 HydrophobicContact CD2-CE2 4.23Å; L547-F587 HydrophobicContact CD2-CZ 4.09Å; L547-A611 HydrophobicContact CD2-CB 3.59Å; L547-L614 HydrophobicContact CD1-CD2 3.73Å; L547-L614 HydrophobicContact CD2-CD2 4.34Å |
| 548 | H | 91.6 | Very high | 94.2 | Very high | 79 Ų | 79 | 20.7 Ų | 20.7 | 37% | 0.366 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -59.5 | -23 | 178.3 | 63.1 | -71.3 | 0 | 0 | 0 | 114.4 | S546 | S546-H548 VanDerWaalsContact C-N 3.27Å; S546-H548 PolarHBondContact O-N 3.47Å; S546-H548 VanDerWaalsContact O-N 3.13Å |
| 549 | H | 93.2 | Very high | 94.1 | Very high | 58 Ų | 58 | 28.2 Ų | 28.2 | 27% | 0.269 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -93.5 | -6.8 | 175 | -63.1 | 132.2 | 0 | 0 | 0 | 113.6 | R476 S477 S546 L547 P551 | R476-H549 HydrophobicContact CG-CB 3.78Å; R476-H549 PolarHBondContact NH2-NE2 3.15Å; S477-H549 WeakPolarHBondContact CA-O 3.28Å; S477-H549 PolarHBondContact N-O 3.16Å; S546-H549 WeakPolarHBondContact O-CA 3.33Å; S546-H549 WeakPolarHBondContact O-CB 3.47Å; S546-H549 PolarHBondContact O-N 3.02Å; L547-H549 PolarHBondContact O-N 2.91Å; L547-H549 VanDerWaalsContact O-N 3.16Å; H549-P551 VanDerWaalsContact C-CD 3.41Å; H549-P551 WeakPolarHBondContact O-CD 3.33Å |
| 550 | N | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -127.2 | 58.3 | -169.6 | -64.4 | -61 | 0 | 0 | 0 | 113.6 | F475 S477 L478 C542 S546 L547 N552 L553 V554 | F475-N550 PolarHBondContact O-ND2 2.88Å; S477-N550 PolarHBondContact N-OD1 3.23Å; L478-N550 WeakPolarHBondContact CG-OD1 3.27Å; L478-N550 PolarHBondContact N-OD1 3.3Å; C542-N550 PolarHBondContact SG-ND2 3.04Å; S546-N550 PolarHBondContact O-N 3.32Å; S546-N550 PolarHBondContact O-ND2 3.34Å; S546-N550 PolarHBondContact OG-ND2 3Å; L547-N550 PolarHBondContact O-N 2.83Å; N550-N552 PolarHBondContact O-N 2.96Å; N550-L553 HydrophobicContact CB-CB 4.17Å; N550-L553 PolarHBondContact O-N 3.3Å; N550-L553 VanDerWaalsContact O-N 3.11Å; N550-V554 PolarHBondContact O-N 3.47Å | ||
| 551 | P | 94.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 21% | 0.208 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -32.1 | 179.7 | 26.5 | -35 | 0 | 0 | 0 | 112.9 | H549 L553 V554 Y555 I607 M608 | H549-P551 VanDerWaalsContact C-CD 3.41Å; H549-P551 WeakPolarHBondContact O-CD 3.33Å; P551-L553 VanDerWaalsContact C-N 3.31Å; P551-L553 PolarHBondContact O-N 2.91Å; P551-V554 PolarHBondContact O-N 3.38Å; P551-Y555 WeakPolarHBondContact O-CB 3.42Å; P551-Y555 PolarHBondContact O-N 3Å; P551-I607 HydrophobicContact CB-CG2 3.82Å; P551-M608 HydrophobicContact CB-CG 4.02Å; P551-M608 HydrophobicContact CG-CG 4.26Å |
| 552 | N | 95.4 | Very high | 93.7 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 19% | 0.193 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -33.1 | 177.2 | -73.7 | -30.5 | 0 | 0 | 0 | 112.9 | L478 A483 N550 A556 | L478-N552 WeakPolarHBondContact O-CB 3.42Å; L478-N552 PolarHBondContact O-ND2 2.94Å; A483-N552 HydrophobicContact CB-CB 4.02Å; N550-N552 PolarHBondContact O-N 2.96Å; N552-A556 WeakPolarHBondContact O-CB 3.39Å; N552-A556 PolarHBondContact O-N 3.35Å |
| 553 | L | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.6 | -43.8 | 175.2 | -176.1 | 64.3 | 0 | 0 | 0 | 110.9 | L478 A483 I486 I487 C542 N550 P551 Y555 A556 L557 | L478-L553 HydrophobicContact CD1-CB 4.48Å; A483-L553 HydrophobicContact CB-CB 4.37Å; A483-L553 HydrophobicContact CB-CD1 4.45Å; I486-L553 HydrophobicContact CD1-CD1 4.42Å; I486-L553 HydrophobicContact CG2-CD1 4.47Å; I487-L553 HydrophobicContact CD1-CD1 4.18Å; I487-L553 HydrophobicContact CG1-CD1 4.41Å; C542-L553 HydrophobicContact CB-CD2 3.98Å; C542-L553 WeakPolarHBondContact SG-CD2 3.45Å; N550-L553 HydrophobicContact CB-CB 4.17Å; N550-L553 PolarHBondContact O-N 3.3Å; N550-L553 VanDerWaalsContact O-N 3.11Å; P551-L553 VanDerWaalsContact C-N 3.31Å; P551-L553 PolarHBondContact O-N 2.91Å; L553-Y555 VanDerWaalsContact C-N 3.3Å; L553-Y555 PolarHBondContact O-N 3.25Å; L553-A556 PolarHBondContact O-N 3.42Å; L553-L557 VanDerWaalsContact O-CB 3.24Å; L553-L557 WeakPolarHBondContact O-CB 3.3Å; L553-L557 PolarHBondContact O-N 3.42Å |
| 554 | V | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | L547 N550 P551 L557 L558 F587 I607 | L547-V554 HydrophobicContact CD1-CG2 4.45Å; L547-V554 HydrophobicContact CD2-CG2 4.27Å; L547-V554 HydrophobicContact CG-CG2 3.98Å; N550-V554 PolarHBondContact O-N 3.47Å; P551-V554 PolarHBondContact O-N 3.38Å; V554-L557 PolarHBondContact O-N 3.09Å; V554-L558 HydrophobicContact CG1-CD1 3.94Å; V554-L558 HydrophobicContact CG1-CG 4.45Å; V554-L558 VanDerWaalsContact O-CG 3.3Å; V554-L558 WeakPolarHBondContact O-CG 3.3Å; V554-L558 PolarHBondContact O-N 2.88Å; V554-F587 HydrophobicContact CG1-CD1 4.15Å; V554-F587 HydrophobicContact CG1-CD2 3.66Å; V554-F587 HydrophobicContact CG1-CE1 4.23Å; V554-F587 HydrophobicContact CG1-CE2 3.77Å; V554-F587 HydrophobicContact CG1-CG 3.87Å; V554-F587 HydrophobicContact CG1-CZ 4.05Å; V554-F587 HydrophobicContact CG2-CE2 4.47Å; V554-I607 HydrophobicContact CB-CG2 3.81Å; V554-I607 HydrophobicContact CG1-CD1 4.47Å; V554-I607 HydrophobicContact CG1-CG1 4.39Å; V554-I607 HydrophobicContact CG1-CG2 3.8Å |
| 555 | Y | 95.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 175 | -179.8 | -87.8 | 0 | 0 | 0 | 112.1 | P551 L553 L557 L558 Y559 V603 I607 | P551-Y555 WeakPolarHBondContact O-CB 3.42Å; P551-Y555 PolarHBondContact O-N 3Å; L553-Y555 VanDerWaalsContact C-N 3.3Å; L553-Y555 PolarHBondContact O-N 3.25Å; Y555-L557 VanDerWaalsContact C-N 3.28Å; Y555-L557 PolarHBondContact O-N 2.92Å; Y555-L558 PolarHBondContact O-N 3.41Å; Y555-Y559 WeakPolarHBondContact O-CB 3.4Å; Y555-Y559 PolarHBondContact O-N 2.96Å; Y555-V603 HydrophobicContact CD2-CG1 3.72Å; Y555-V603 HydrophobicContact CE2-CB 4.43Å; Y555-V603 HydrophobicContact CE2-CG1 3.75Å; Y555-I607 HydrophobicContact CD2-CD1 3.98Å; Y555-I607 HydrophobicContact CG-CD1 4.41Å |
| 556 | A | 95.7 | Very high | 93 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A483 Q484 I487 N552 L553 K560 | A483-A556 HydrophobicContact CB-CB 4.44Å; Q484-A556 HydrophobicContact CG-CB 4.37Å; I487-A556 HydrophobicContact CG1-CB 3.88Å; N552-A556 WeakPolarHBondContact O-CB 3.39Å; N552-A556 PolarHBondContact O-N 3.35Å; L553-A556 PolarHBondContact O-N 3.42Å; A556-K560 PolarHBondContact O-N 3.27Å |
| 557 | L | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 178 | -170.7 | 157.2 | 0 | 0 | 0 | 111.4 | I487 I539 L543 L553 V554 Y555 K560 R561 F564 L580 I584 | I487-L557 HydrophobicContact CD1-CB 4.47Å; I539-L557 HydrophobicContact CG2-CD1 4.08Å; L543-L557 HydrophobicContact CD1-CD1 4.03Å; L543-L557 HydrophobicContact CD2-CD1 4.38Å; L553-L557 VanDerWaalsContact O-CB 3.24Å; L553-L557 WeakPolarHBondContact O-CB 3.3Å; L553-L557 PolarHBondContact O-N 3.42Å; V554-L557 PolarHBondContact O-N 3.09Å; Y555-L557 VanDerWaalsContact C-N 3.28Å; Y555-L557 PolarHBondContact O-N 2.92Å; L557-K560 CarbonylContact O-C 3.39Å; L557-K560 PolarHBondContact O-N 3.19Å; L557-R561 WeakPolarHBondContact O-CA 3.37Å; L557-R561 PolarHBondContact O-N 3.25Å; L557-F564 HydrophobicContact CG-CE2 4.2Å; L557-F564 HydrophobicContact CG-CZ 4.45Å; L557-L580 HydrophobicContact CD1-CD2 3.69Å; L557-I584 HydrophobicContact CD2-CD1 3.62Å; L557-I584 HydrophobicContact CD2-CG1 3.14Å |
| 558 | L | 93.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.7 | -69.9 | 167 | 0 | 0 | 0 | 112.1 | V554 Y555 K560 R561 I584 F587 L591 I607 | V554-L558 HydrophobicContact CG1-CD1 3.94Å; V554-L558 HydrophobicContact CG1-CG 4.45Å; V554-L558 VanDerWaalsContact O-CG 3.3Å; V554-L558 WeakPolarHBondContact O-CG 3.3Å; V554-L558 PolarHBondContact O-N 2.88Å; Y555-L558 PolarHBondContact O-N 3.41Å; L558-K560 PolarHBondContact O-N 3.48Å; L558-R561 WeakPolarHBondContact O-CG 3.3Å; L558-R561 PolarHBondContact O-N 2.89Å; L558-I584 HydrophobicContact CD2-CG2 4.45Å; L558-F587 HydrophobicContact CD1-CB 3.69Å; L558-F587 HydrophobicContact CD1-CG 4.39Å; L558-F587 HydrophobicContact CD2-CB 3.96Å; L558-F587 HydrophobicContact CG-CB 4.36Å; L558-L591 HydrophobicContact CD1-CD1 3.93Å; L558-I607 HydrophobicContact CD1-CD1 3.98Å; L558-I607 HydrophobicContact CD1-CG1 4.25Å |
| 559 | Y | 92.6 | Very high | 92.4 | Very high | 161 Ų | 161 | 54 Ų | 54 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.1 | -26.9 | 179.2 | -174.8 | -105 | 0 | 0 | 0 | 113 | Y555 | Y555-Y559 WeakPolarHBondContact O-CB 3.4Å; Y555-Y559 PolarHBondContact O-N 2.96Å |
| 560 | K | 92.9 | Very high | 92.1 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 27.7 | 179.9 | -65.9 | -62.2 | -172 | -175.8 | 0 | 113.3 | I487 A556 L557 L558 E562 L563 | I487-K560 HydrophobicContact CG2-CB 3.8Å; I487-K560 HydrophobicContact CG2-CG 4.09Å; A556-K560 PolarHBondContact O-N 3.27Å; L557-K560 CarbonylContact O-C 3.39Å; L557-K560 PolarHBondContact O-N 3.19Å; L558-K560 PolarHBondContact O-N 3.48Å; K560-E562 PolarHBondContact O-N 2.99Å; K560-E562 VanDerWaalsContact O-N 3.09Å; K560-L563 HydrophobicContact CB-CD1 3.72Å; K560-L563 HydrophobicContact CB-CG 4.11Å; K560-L563 HydrophobicContact CD-CD1 4.37Å; K560-L563 HydrophobicContact CG-CD1 4.21Å; K560-L563 WeakPolarHBondContact O-CB 3.41Å; K560-L563 WeakPolarHBondContact O-CG 3.38Å; K560-L563 PolarHBondContact O-N 3.02Å |
| 561 | R | 92.3 | Very high | 91.7 | Very high | 110 Ų | 110 | 57.9 Ų | 57.9 | 42% | 0.415 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -55.4 | -31.5 | -175.5 | 65.6 | -176.1 | -177.7 | 179.5 | 0.5 | 114.2 | L557 L558 L563 F564 I584 S588 | L557-R561 WeakPolarHBondContact O-CA 3.37Å; L557-R561 PolarHBondContact O-N 3.25Å; L558-R561 WeakPolarHBondContact O-CG 3.3Å; L558-R561 PolarHBondContact O-N 2.89Å; R561-L563 PolarHBondContact O-N 3.41Å; R561-F564 PolarHBondContact O-N 3.01Å; R561-I584 HydrophobicContact CB-CD1 4.17Å; R561-I584 HydrophobicContact CB-CG2 4.09Å; R561-S588 PolarHBondContact NH1-OG 3.14Å |
| 562 | E | 92.6 | Very high | 91.3 | Very high | 149 Ų | 149 | 58.3 Ų | 58.3 | 70% | 0.696 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -62.4 | -25.9 | 179 | -65.3 | 175.3 | -171.2 | 0 | 0 | 113.2 | K560 F564 E565 | K560-E562 PolarHBondContact O-N 2.99Å; K560-E562 VanDerWaalsContact O-N 3.09Å; E562-F564 PolarHBondContact O-N 2.92Å; E562-E565 PolarHBondContact O-N 3.37Å |
| 563 | L | 90.9 | Very high | 91.2 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -63 | -26 | 179.3 | -66 | -178.8 | 0 | 0 | 0 | 113.2 | I487 F490 A491 K560 R561 Q566 | I487-L563 HydrophobicContact CG2-CD1 4.26Å; F490-L563 HydrophobicContact CE1-CB 4.23Å; A491-L563 HydrophobicContact CB-CD1 3.57Å; A491-L563 HydrophobicContact CB-CD2 4.35Å; K560-L563 HydrophobicContact CB-CD1 3.72Å; K560-L563 HydrophobicContact CB-CG 4.11Å; K560-L563 HydrophobicContact CD-CD1 4.37Å; K560-L563 HydrophobicContact CG-CD1 4.21Å; K560-L563 WeakPolarHBondContact O-CB 3.41Å; K560-L563 WeakPolarHBondContact O-CG 3.38Å; K560-L563 PolarHBondContact O-N 3.02Å; R561-L563 PolarHBondContact O-N 3.41Å; L563-Q566 PolarHBondContact O-NE2 3.12Å |
| 564 | F | 91.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -87.9 | -16.8 | -172.6 | -66.5 | -77 | 0 | 0 | 0 | 113 | I487 F490 L536 L557 R561 E562 Q566 F567 M577 L580 I584 | I487-F564 HydrophobicContact CD1-CZ 4.28Å; F490-F564 HydrophobicContact CD1-CD1 4.49Å; F490-F564 AromaticContact CD1-CE1 3.95Å; F490-F564 HydrophobicContact CD1-CE1 3.95Å; F490-F564 HydrophobicContact CD1-CZ 4.22Å; F490-F564 AromaticContact CE1-CD1 3.7Å; F490-F564 HydrophobicContact CE1-CD1 3.7Å; F490-F564 AromaticContact CE1-CE1 3.59Å; F490-F564 HydrophobicContact CE1-CE1 3.59Å; F490-F564 HydrophobicContact CE1-CG 4.39Å; F490-F564 HydrophobicContact CE1-CZ 4.19Å; F490-F564 AromaticContact CZ-CD1 3.86Å; F490-F564 HydrophobicContact CZ-CD1 3.86Å; F490-F564 AromaticContact CZ-CE1 3.92Å; F490-F564 HydrophobicContact CZ-CE1 3.92Å; L536-F564 HydrophobicContact CD2-CD1 4.08Å; L536-F564 HydrophobicContact CD2-CE1 3.92Å; L557-F564 HydrophobicContact CG-CE2 4.2Å; L557-F564 HydrophobicContact CG-CZ 4.45Å; R561-F564 PolarHBondContact O-N 3.01Å; E562-F564 PolarHBondContact O-N 2.92Å; F564-Q566 VanDerWaalsContact C-N 3.35Å; F564-Q566 PolarHBondContact O-N 3.37Å; F564-F567 PolarHBondContact O-N 2.95Å; F564-M577 HydrophobicContact CB-CE 3.66Å; F564-M577 HydrophobicContact CD1-CE 4Å; F564-M577 HydrophobicContact CG-CE 4.24Å; F564-L580 HydrophobicContact CD1-CD1 3.98Å; F564-L580 HydrophobicContact CE1-CD1 4.11Å; F564-L580 HydrophobicContact CE1-CD2 4.48Å; F564-I584 HydrophobicContact CD2-CD1 4.42Å |
| 565 | E | 89.8 | Confident | 90.5 | Very high | 99 Ų | 99 | 64.5 Ų | 64.5 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -65.8 | -37.8 | -170.9 | -54.3 | -161.7 | 131.6 | 0 | 0 | 112.6 | E562 F567 R568 | E562-E565 PolarHBondContact O-N 3.37Å; E565-F567 PolarHBondContact O-N 2.87Å; E565-F567 VanDerWaalsContact O-N 3.16Å; E565-R568 WeakPolarHBondContact O-CB 3.41Å; E565-R568 PolarHBondContact O-N 3.17Å; E565-R568 IonicContact OE1-CZ 3.74Å; E565-R568 IonicContact OE1-NH1 3.94Å; E565-R568 PolarHBondContact OE1-NH1 3.3Å; E565-R568 IonicContact OE1-NH2 2.88Å |
| 566 | Q | 86.8 | Confident | 90.3 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -62.8 | -20.8 | 179.5 | 69.1 | -172.5 | -26.8 | 0 | 0 | 113.6 | N498 L563 F564 | N498-Q566 PolarHBondContact ND2-OE1 3.05Å; L563-Q566 PolarHBondContact O-NE2 3.12Å; F564-Q566 VanDerWaalsContact C-N 3.35Å; F564-Q566 PolarHBondContact O-N 3.37Å |
| 567 | F | 88.8 | Confident | 90.2 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -95.1 | -9 | -177.8 | -61.5 | -69.5 | 0 | 0 | 0 | 113.5 | F490 S494 I532 F564 E565 S569 H570 F573 M577 | F490-F567 HydrophobicContact CE1-CD2 4.28Å; F490-F567 AromaticContact CE1-CE2 3.92Å; F490-F567 HydrophobicContact CE1-CE2 3.92Å; F490-F567 HydrophobicContact CE2-CD2 4.4Å; F490-F567 HydrophobicContact CE2-CE2 4.06Å; F490-F567 AromaticContact CZ-CD2 3.52Å; F490-F567 HydrophobicContact CZ-CD2 3.52Å; F490-F567 AromaticContact CZ-CE2 3.3Å; F490-F567 HydrophobicContact CZ-CE2 3.3Å; F490-F567 HydrophobicContact CZ-CZ 4.21Å; S494-F567 VanDerWaalsContact OG-CE2 3.26Å; S494-F567 WeakPolarHBondContact OG-CE2 3.28Å; S494-F567 VanDerWaalsContact OG-CZ 3.3Å; S494-F567 WeakPolarHBondContact OG-CZ 3.29Å; I532-F567 HydrophobicContact CD1-CE1 4.37Å; I532-F567 HydrophobicContact CD1-CZ 4.29Å; I532-F567 HydrophobicContact CG2-CE1 4.23Å; I532-F567 HydrophobicContact CG2-CZ 4.33Å; F564-F567 PolarHBondContact O-N 2.95Å; E565-F567 PolarHBondContact O-N 2.87Å; E565-F567 VanDerWaalsContact O-N 3.16Å; F567-S569 VanDerWaalsContact C-N 3.29Å; F567-S569 PolarHBondContact O-N 3.25Å; F567-H570 PolarHBondContact O-N 2.66Å; F567-F573 HydrophobicContact CB-CB 4.14Å; F567-F573 HydrophobicContact CB-CD2 4.29Å; F567-F573 HydrophobicContact CB-CG 4.49Å; F567-F573 AromaticContact CD1-CD2 3.37Å; F567-F573 HydrophobicContact CD1-CD2 3.37Å; F567-F573 AromaticContact CD1-CE2 3.63Å; F567-F573 HydrophobicContact CD1-CE2 3.63Å; F567-F573 HydrophobicContact CD1-CG 4.17Å; F567-F573 HydrophobicContact CE1-CD2 4.08Å; F567-F573 AromaticContact CE1-CE2 3.84Å; F567-F573 HydrophobicContact CE1-CE2 3.84Å; F567-F573 HydrophobicContact CG-CD2 4.21Å; F567-M577 HydrophobicContact CB-CG 4.4Å; F567-M577 HydrophobicContact CB-SD 4.05Å |
| 568 | R | 88.3 | Confident | 90 | Very high | 95 Ų | 95 | 67.3 Ų | 67.3 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -37.3 | -180 | -70.7 | -179.3 | 176.3 | 138.4 | 4.1 | 113.1 | E565 D581 | E565-R568 WeakPolarHBondContact O-CB 3.41Å; E565-R568 PolarHBondContact O-N 3.17Å; E565-R568 IonicContact OE1-CZ 3.74Å; E565-R568 IonicContact OE1-NH1 3.94Å; E565-R568 PolarHBondContact OE1-NH1 3.3Å; E565-R568 IonicContact OE1-NH2 2.88Å; R568-D581 IonicContact CZ-OD1 3.8Å; R568-D581 IonicContact NE-OD1 3.88Å; R568-D581 PolarHBondContact NE-OD1 3.42Å; R568-D581 IonicContact NE-OD2 2.91Å; R568-D581 IonicContact NH2-OD1 2.71Å; R568-D581 PolarHBondContact NH2-OD1 3.33Å |
| 569 | S | 85.3 | Confident | 90 | Very high | 100 Ų | 100 | 66.4 Ų | 66.4 | 70% | 0.699 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.8 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | F567 | F567-S569 VanDerWaalsContact C-N 3.29Å; F567-S569 PolarHBondContact O-N 3.25Å |
| 570 | H | 86.8 | Confident | 90 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 20% | 0.199 | 29% | 0.291 | C | S | . | . | trans | -83 | 125.6 | -175.8 | -164.5 | -77 | 0 | 0 | 0 | 110.2 | E529 F567 S572 F573 Q574 | E529-H570 IonicContact OE1-CE1 3.73Å; E529-H570 PolarHBondContact OE1-CE1 3.36Å; E529-H570 IonicContact OE1-NE2 3.68Å; E529-H570 IonicContact OE2-CE1 3.59Å; F567-H570 PolarHBondContact O-N 2.66Å; H570-S572 PolarHBondContact CE1-OG 3.31Å; H570-S572 PolarHBondContact ND1-N 3.38Å; H570-S572 PolarHBondContact ND1-OG 2.94Å; H570-S572 PolarHBondContact O-N 3.03Å; H570-S572 VanDerWaalsContact O-N 3.14Å; H570-F573 HydrophobicContact CB-CD2 3.72Å; H570-F573 HydrophobicContact CB-CE2 4.48Å; H570-F573 AromaticContact CE1-CE2 3.78Å; H570-F573 AromaticContact CG-CD2 3.54Å; H570-F573 AromaticContact CG-CE2 3.86Å; H570-F573 AromaticContact ND1-CD2 3.35Å; H570-F573 VanDerWaalsContact ND1-CD2 3.35Å; H570-F573 WeakPolarHBondContact ND1-CD2 3.5Å; H570-F573 AromaticContact ND1-CE2 3.48Å; H570-F573 WeakPolarHBondContact ND1-CE2 3.46Å; H570-F573 PolarHBondContact O-N 3.48Å; H570-Q574 PolarHBondContact O-N 3.23Å | ||
| 571 | P | 86.6 | Confident | 90 | Very high | 97 Ų | 97 | 56.6 Ų | 56.6 | 63% | 0.63 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -37.5 | -174.8 | -27.7 | 34.9 | 0 | 0 | 0 | 114.1 | F573 | P571-F573 VanDerWaalsContact C-N 3.31Å; P571-F573 PolarHBondContact O-N 3.19Å |
| 572 | S | 86.6 | Confident | 90 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.6 | -179.5 | -41.4 | 0 | 0 | 0 | 0 | 115 | E529 R533 H570 | E529-S572 PolarHBondContact OE2-OG 3.46Å; R533-S572 PolarHBondContact NH1-O 2.84Å; H570-S572 PolarHBondContact CE1-OG 3.31Å; H570-S572 PolarHBondContact ND1-N 3.38Å; H570-S572 PolarHBondContact ND1-OG 2.94Å; H570-S572 PolarHBondContact O-N 3.03Å; H570-S572 VanDerWaalsContact O-N 3.14Å |
| 573 | F | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | -20.5 | -170.1 | -52.1 | -61.2 | 0 | 0 | 0 | 114.6 | E529 I532 R533 L536 F567 H570 P571 D575 I576 M577 | E529-F573 HydrophobicContact CB-CZ 3.91Å; E529-F573 HydrophobicContact CG-CE2 4.39Å; E529-F573 HydrophobicContact CG-CZ 3.9Å; E529-F573 WeakPolarHBondContact O-CE1 3.42Å; I532-F573 HydrophobicContact CB-CE1 4.02Å; I532-F573 HydrophobicContact CB-CZ 4.02Å; I532-F573 HydrophobicContact CG2-CD1 4.19Å; I532-F573 HydrophobicContact CG2-CE1 3.56Å; I532-F573 HydrophobicContact CG2-CE2 4.31Å; I532-F573 HydrophobicContact CG2-CZ 3.64Å; R533-F573 HydrophobicContact CB-CD1 4.28Å; R533-F573 HydrophobicContact CB-CE1 3.94Å; L536-F573 HydrophobicContact CD1-CB 4.25Å; L536-F573 HydrophobicContact CD1-CD1 3.88Å; L536-F573 HydrophobicContact CD1-CG 4.23Å; F567-F573 HydrophobicContact CB-CB 4.14Å; F567-F573 HydrophobicContact CB-CD2 4.29Å; F567-F573 HydrophobicContact CB-CG 4.49Å; F567-F573 AromaticContact CD1-CD2 3.37Å; F567-F573 HydrophobicContact CD1-CD2 3.37Å; F567-F573 AromaticContact CD1-CE2 3.63Å; F567-F573 HydrophobicContact CD1-CE2 3.63Å; F567-F573 HydrophobicContact CD1-CG 4.17Å; F567-F573 HydrophobicContact CE1-CD2 4.08Å; F567-F573 AromaticContact CE1-CE2 3.84Å; F567-F573 HydrophobicContact CE1-CE2 3.84Å; F567-F573 HydrophobicContact CG-CD2 4.21Å; H570-F573 HydrophobicContact CB-CD2 3.72Å; H570-F573 HydrophobicContact CB-CE2 4.48Å; H570-F573 AromaticContact CE1-CE2 3.78Å; H570-F573 AromaticContact CG-CD2 3.54Å; H570-F573 AromaticContact CG-CE2 3.86Å; H570-F573 AromaticContact ND1-CD2 3.35Å; H570-F573 VanDerWaalsContact ND1-CD2 3.35Å; H570-F573 WeakPolarHBondContact ND1-CD2 3.5Å; H570-F573 AromaticContact ND1-CE2 3.48Å; H570-F573 WeakPolarHBondContact ND1-CE2 3.46Å; H570-F573 PolarHBondContact O-N 3.48Å; P571-F573 VanDerWaalsContact C-N 3.31Å; P571-F573 PolarHBondContact O-N 3.19Å; F573-D575 PolarHBondContact O-N 3.29Å; F573-I576 PolarHBondContact O-N 2.69Å; F573-M577 WeakPolarHBondContact O-CG 3.44Å; F573-M577 PolarHBondContact O-N 3.42Å |
| 574 | Q | 89.5 | Confident | 90.3 | Very high | 115 Ų | 115 | 44.6 Ų | 44.6 | 54% | 0.537 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -50.3 | -33.7 | -175.9 | 62.4 | 179.8 | -8.7 | 0 | 0 | 113.8 | H570 I576 | H570-Q574 PolarHBondContact O-N 3.23Å; Q574-I576 VanDerWaalsContact C-N 3.3Å; Q574-I576 PolarHBondContact O-N 3.49Å |
| 575 | D | 88.8 | Confident | 90.4 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72.8 | -21.5 | -177.9 | 63.2 | -50.9 | 0 | 0 | 0 | 114 | R533 F573 K620 F622 | R533-D575 IonicContact CZ-OD2 3.85Å; R533-D575 IonicContact NH1-OD1 3.64Å; R533-D575 PolarHBondContact NH1-OD1 2.92Å; R533-D575 IonicContact NH1-OD2 2.66Å; R533-D575 IonicContact NH2-OD1 2.91Å; R533-D575 IonicContact NH2-OD2 2.69Å; R533-D575 PolarHBondContact NH2-OD2 2.87Å; F573-D575 PolarHBondContact O-N 3.29Å; D575-K620 PolarHBondContact O-NZ 3.5Å; D575-K620 VanDerWaalsContact O-NZ 3.1Å; D575-F622 WeakPolarHBondContact O-CE1 3.17Å; D575-F622 WeakPolarHBondContact O-CZ 3.38Å |
| 576 | I | 91 | Very high | 90.7 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -99.5 | -21 | -177.3 | -64.3 | 164.7 | 0 | 0 | 0 | 111.3 | R533 L536 E537 N540 F573 Q574 Q578 F622 | R533-I576 HydrophobicContact CG-CD1 3.55Å; R533-I576 VanDerWaalsContact CZ-CD1 3.41Å; L536-I576 HydrophobicContact CB-CG2 3.74Å; E537-I576 HydrophobicContact CG-CD1 3.81Å; E537-I576 HydrophobicContact CG-CG1 4.5Å; N540-I576 WeakPolarHBondContact ND2-CG2 3.24Å; N540-I576 PolarHBondContact ND2-O 2.95Å; F573-I576 PolarHBondContact O-N 2.69Å; Q574-I576 VanDerWaalsContact C-N 3.3Å; Q574-I576 PolarHBondContact O-N 3.49Å; I576-Q578 VanDerWaalsContact C-N 3.34Å; I576-Q578 PolarHBondContact O-N 3.26Å; I576-F622 HydrophobicContact CG1-CE1 4.13Å |
| 577 | M | 93.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.8 | -24.7 | -178.5 | -68.2 | -47.1 | -55.5 | 0 | 0 | 114.7 | L536 F564 F567 F573 N579 L580 D581 | L536-M577 HydrophobicContact CD1-SD 4.23Å; L536-M577 HydrophobicContact CD2-SD 4.23Å; F564-M577 HydrophobicContact CB-CE 3.66Å; F564-M577 HydrophobicContact CD1-CE 4Å; F564-M577 HydrophobicContact CG-CE 4.24Å; F567-M577 HydrophobicContact CB-CG 4.4Å; F567-M577 HydrophobicContact CB-SD 4.05Å; F573-M577 WeakPolarHBondContact O-CG 3.44Å; F573-M577 PolarHBondContact O-N 3.42Å; M577-N579 VanDerWaalsContact C-N 3.34Å; M577-N579 PolarHBondContact O-N 3.19Å; M577-L580 HydrophobicContact CE-CB 4.11Å; M577-L580 HydrophobicContact CE-CD1 3.63Å; M577-L580 WeakPolarHBondContact O-CB 3.48Å; M577-L580 PolarHBondContact O-N 2.97Å; M577-L580 VanDerWaalsContact O-N 3.08Å; M577-L580 HydrophobicContact SD-CD1 3.82Å; M577-D581 PolarHBondContact O-N 2.94Å |
| 578 | Q | 91 | Very high | 91.3 | Very high | 103 Ų | 103 | 40.3 Ų | 40.3 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.4 | -44.7 | -173.9 | -177.3 | -179.2 | 0.4 | 0 | 0 | 114 | I576 T582 | I576-Q578 VanDerWaalsContact C-N 3.34Å; I576-Q578 PolarHBondContact O-N 3.26Å; Q578-T582 WeakPolarHBondContact O-CB 3.36Å; Q578-T582 PolarHBondContact O-N 3.48Å; Q578-T582 PolarHBondContact O-OG1 3.14Å |
| 579 | N | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.6 | -38.8 | -179.5 | -82 | 6.2 | 0 | 0 | 0 | 111.8 | N540 C544 M577 T582 V583 L619 K620 F622 | N540-N579 WeakPolarHBondContact OD1-CB 3.45Å; C544-N579 PolarHBondContact SG-ND2 3.49Å; M577-N579 VanDerWaalsContact C-N 3.34Å; M577-N579 PolarHBondContact O-N 3.19Å; N579-T582 PolarHBondContact O-N 2.8Å; N579-V583 WeakPolarHBondContact O-CG2 3.41Å; N579-V583 PolarHBondContact O-N 3.13Å; N579-L619 HydrophobicContact CB-CD2 4.24Å; N579-L619 WeakPolarHBondContact OD1-CA 3.45Å; N579-K620 PolarHBondContact ND2-O 3.27Å; N579-K620 WeakPolarHBondContact OD1-CB 3.19Å; N579-K620 PolarHBondContact OD1-N 2.87Å; N579-F622 HydrophobicContact CB-CE2 4.41Å; N579-F622 WeakPolarHBondContact ND2-CE2 3.07Å |
| 580 | L | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 175.3 | -67.7 | 165.4 | 0 | 0 | 0 | 110.4 | L536 I539 L543 L557 F564 M577 T582 V583 I584 | L536-L580 HydrophobicContact CD2-CD1 3.64Å; I539-L580 HydrophobicContact CG2-CD2 3.7Å; L543-L580 HydrophobicContact CD1-CD2 3.62Å; L543-L580 HydrophobicContact CD1-CG 4.49Å; L557-L580 HydrophobicContact CD1-CD2 3.69Å; F564-L580 HydrophobicContact CD1-CD1 3.98Å; F564-L580 HydrophobicContact CE1-CD1 4.11Å; F564-L580 HydrophobicContact CE1-CD2 4.48Å; M577-L580 HydrophobicContact CE-CB 4.11Å; M577-L580 HydrophobicContact CE-CD1 3.63Å; M577-L580 WeakPolarHBondContact O-CB 3.48Å; M577-L580 PolarHBondContact O-N 2.97Å; M577-L580 VanDerWaalsContact O-N 3.08Å; M577-L580 HydrophobicContact SD-CD1 3.82Å; L580-T582 VanDerWaalsContact C-N 3.33Å; L580-T582 PolarHBondContact O-N 2.91Å; L580-V583 PolarHBondContact O-N 3.48Å; L580-I584 WeakPolarHBondContact O-CB 3.49Å; L580-I584 WeakPolarHBondContact O-CG1 3.3Å; L580-I584 PolarHBondContact O-N 2.82Å |
| 581 | D | 92.8 | Very high | 92.3 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 177.6 | -73.9 | -39.7 | 0 | 0 | 0 | 112 | R568 M577 I584 G585 | R568-D581 IonicContact CZ-OD1 3.8Å; R568-D581 IonicContact NE-OD1 3.88Å; R568-D581 PolarHBondContact NE-OD1 3.42Å; R568-D581 IonicContact NE-OD2 2.91Å; R568-D581 IonicContact NH2-OD1 2.71Å; R568-D581 PolarHBondContact NH2-OD1 3.33Å; M577-D581 PolarHBondContact O-N 2.94Å; D581-I584 PolarHBondContact O-N 3.14Å; D581-G585 PolarHBondContact O-N 3.33Å |
| 582 | T | 93.3 | Very high | 92.6 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 26% | 0.258 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.8 | -46 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | Q578 N579 L580 F586 R618 L619 | Q578-T582 WeakPolarHBondContact O-CB 3.36Å; Q578-T582 PolarHBondContact O-N 3.48Å; Q578-T582 PolarHBondContact O-OG1 3.14Å; N579-T582 PolarHBondContact O-N 2.8Å; L580-T582 VanDerWaalsContact C-N 3.33Å; L580-T582 PolarHBondContact O-N 2.91Å; T582-F586 VanDerWaalsContact O-CB 3.28Å; T582-F586 WeakPolarHBondContact O-CB 3.45Å; T582-F586 PolarHBondContact O-N 3.34Å; T582-R618 HydrophobicContact CG2-CB 4.21Å; T582-L619 HydrophobicContact CG2-CD2 4.13Å |
| 583 | V | 94.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -49.7 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L543 L547 N579 L580 G585 F586 F587 L614 L619 | L543-V583 HydrophobicContact CD1-CG2 4.24Å; L543-V583 HydrophobicContact CD2-CG1 4.26Å; L547-V583 HydrophobicContact CD1-CG1 4.17Å; L547-V583 HydrophobicContact CD1-CG2 3.9Å; N579-V583 WeakPolarHBondContact O-CG2 3.41Å; N579-V583 PolarHBondContact O-N 3.13Å; L580-V583 PolarHBondContact O-N 3.48Å; V583-G585 VanDerWaalsContact C-N 3.33Å; V583-G585 PolarHBondContact O-N 3.44Å; V583-F586 PolarHBondContact O-N 2.9Å; V583-F587 HydrophobicContact CG1-CD2 3.75Å; V583-F587 HydrophobicContact CG1-CE2 3.93Å; V583-F587 VanDerWaalsContact O-CD2 3.29Å; V583-F587 WeakPolarHBondContact O-CD2 3.44Å; V583-F587 PolarHBondContact O-N 2.93Å; V583-L614 HydrophobicContact CG2-CD2 4.14Å; V583-L619 HydrophobicContact CG2-CD2 3.98Å |
| 584 | I | 94.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.7 | -48.3 | 178.8 | -70 | 166 | 0 | 0 | 0 | 110.5 | L557 L558 R561 F564 L580 D581 S588 | L557-I584 HydrophobicContact CD2-CD1 3.62Å; L557-I584 HydrophobicContact CD2-CG1 3.14Å; L558-I584 HydrophobicContact CD2-CG2 4.45Å; R561-I584 HydrophobicContact CB-CD1 4.17Å; R561-I584 HydrophobicContact CB-CG2 4.09Å; F564-I584 HydrophobicContact CD2-CD1 4.42Å; L580-I584 WeakPolarHBondContact O-CB 3.49Å; L580-I584 WeakPolarHBondContact O-CG1 3.3Å; L580-I584 PolarHBondContact O-N 2.82Å; D581-I584 PolarHBondContact O-N 3.14Å; I584-S588 WeakPolarHBondContact O-CB 3.48Å; I584-S588 PolarHBondContact O-N 2.95Å; I584-S588 PolarHBondContact O-OG 3.14Å |
| 585 | G | 94.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -47.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D581 V583 F587 S588 Q589 | D581-G585 PolarHBondContact O-N 3.33Å; V583-G585 VanDerWaalsContact C-N 3.33Å; V583-G585 PolarHBondContact O-N 3.44Å; G585-F587 PolarHBondContact O-N 2.91Å; G585-S588 PolarHBondContact O-N 2.91Å; G585-Q589 WeakPolarHBondContact O-CB 3.34Å; G585-Q589 PolarHBondContact O-N 2.76Å |
| 586 | F | 95.1 | Very high | 92 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 178.8 | 177.3 | -96.7 | 0 | 0 | 0 | 112.2 | T582 V583 R590 G610 A613 L614 | T582-F586 VanDerWaalsContact O-CB 3.28Å; T582-F586 WeakPolarHBondContact O-CB 3.45Å; T582-F586 PolarHBondContact O-N 3.34Å; V583-F586 PolarHBondContact O-N 2.9Å; F586-R590 VanDerWaalsContact CE1-CD 3.49Å; F586-R590 WeakPolarHBondContact O-CG 3.47Å; F586-R590 PolarHBondContact O-N 2.97Å; F586-G610 WeakPolarHBondContact CE1-O 3.48Å; F586-A613 HydrophobicContact CZ-CB 4.44Å; F586-L614 HydrophobicContact CB-CD1 3.98Å; F586-L614 HydrophobicContact CD1-CB 4.4Å; F586-L614 HydrophobicContact CD1-CD1 3.63Å; F586-L614 HydrophobicContact CD2-CD1 3.89Å; F586-L614 HydrophobicContact CE1-CB 4.01Å; F586-L614 HydrophobicContact CE1-CD1 3.99Å; F586-L614 HydrophobicContact CE2-CD1 4.23Å; F586-L614 HydrophobicContact CG-CD1 3.55Å; F586-L614 HydrophobicContact CZ-CB 4.3Å; F586-L614 HydrophobicContact CZ-CD1 4.27Å |
| 587 | F | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.5 | -33.2 | -178.8 | -76.5 | -78.1 | 0 | 0 | 0 | 113.1 | L547 V554 L558 V583 G585 R590 L591 I607 A611 | L547-F587 HydrophobicContact CD2-CE2 4.23Å; L547-F587 HydrophobicContact CD2-CZ 4.09Å; V554-F587 HydrophobicContact CG1-CD1 4.15Å; V554-F587 HydrophobicContact CG1-CD2 3.66Å; V554-F587 HydrophobicContact CG1-CE1 4.23Å; V554-F587 HydrophobicContact CG1-CE2 3.77Å; V554-F587 HydrophobicContact CG1-CG 3.87Å; V554-F587 HydrophobicContact CG1-CZ 4.05Å; V554-F587 HydrophobicContact CG2-CE2 4.47Å; L558-F587 HydrophobicContact CD1-CB 3.69Å; L558-F587 HydrophobicContact CD1-CG 4.39Å; L558-F587 HydrophobicContact CD2-CB 3.96Å; L558-F587 HydrophobicContact CG-CB 4.36Å; V583-F587 HydrophobicContact CG1-CD2 3.75Å; V583-F587 HydrophobicContact CG1-CE2 3.93Å; V583-F587 VanDerWaalsContact O-CD2 3.29Å; V583-F587 WeakPolarHBondContact O-CD2 3.44Å; V583-F587 PolarHBondContact O-N 2.93Å; G585-F587 PolarHBondContact O-N 2.91Å; F587-R590 PolarHBondContact O-N 3.33Å; F587-L591 WeakPolarHBondContact O-CG 3.33Å; F587-L591 PolarHBondContact O-N 3.47Å; F587-I607 HydrophobicContact CD1-CG1 4.26Å; F587-I607 HydrophobicContact CE1-CB 4.43Å; F587-I607 HydrophobicContact CE1-CG2 4.24Å; F587-I607 WeakPolarHBondContact CE1-O 3.39Å; F587-A611 HydrophobicContact CZ-CB 4.11Å |
| 588 | S | 94.1 | Very high | 91.1 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | R561 I584 G585 R590 L591 E592 | R561-S588 PolarHBondContact NH1-OG 3.14Å; I584-S588 WeakPolarHBondContact O-CB 3.48Å; I584-S588 PolarHBondContact O-N 2.95Å; I584-S588 PolarHBondContact O-OG 3.14Å; G585-S588 PolarHBondContact O-N 2.91Å; S588-R590 VanDerWaalsContact C-N 3.31Å; S588-R590 PolarHBondContact O-N 3.11Å; S588-L591 PolarHBondContact O-N 3.43Å; S588-E592 WeakPolarHBondContact O-CG 3.44Å; S588-E592 PolarHBondContact O-N 3.34Å |
| 589 | Q | 93.8 | Very high | 91 | Very high | 111 Ų | 111 | 54.3 Ų | 54.3 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 176.7 | -172.5 | -176.4 | 18.8 | 0 | 0 | 112.2 | G585 E592 Q593 | G585-Q589 WeakPolarHBondContact O-CB 3.34Å; G585-Q589 PolarHBondContact O-N 2.76Å; Q589-E592 PolarHBondContact O-N 3.43Å; Q589-Q593 VanDerWaalsContact O-CG 3.27Å; Q589-Q593 WeakPolarHBondContact O-CG 3.33Å; Q589-Q593 PolarHBondContact O-N 2.96Å |
| 590 | R | 93.7 | Very high | 90.7 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 177.8 | -71.5 | -173.5 | 71.9 | 79.4 | 3.7 | 113 | F586 F587 S588 A594 V606 | F586-R590 VanDerWaalsContact CE1-CD 3.49Å; F586-R590 WeakPolarHBondContact O-CG 3.47Å; F586-R590 PolarHBondContact O-N 2.97Å; F587-R590 PolarHBondContact O-N 3.33Å; S588-R590 VanDerWaalsContact C-N 3.31Å; S588-R590 PolarHBondContact O-N 3.11Å; R590-A594 PolarHBondContact O-N 3.11Å; R590-A594 VanDerWaalsContact O-N 3.17Å; R590-V606 HydrophobicContact CB-CG1 4.02Å |
| 591 | L | 93.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69 | -42 | 174.8 | -72 | 170.1 | 0 | 0 | 0 | 111 | L558 F587 S588 Q593 A594 G595 L598 V603 V606 | L558-L591 HydrophobicContact CD1-CD1 3.93Å; F587-L591 WeakPolarHBondContact O-CG 3.33Å; F587-L591 PolarHBondContact O-N 3.47Å; S588-L591 PolarHBondContact O-N 3.43Å; L591-Q593 VanDerWaalsContact C-N 3.31Å; L591-Q593 PolarHBondContact O-N 3.03Å; L591-A594 WeakPolarHBondContact O-CB 3.34Å; L591-A594 PolarHBondContact O-N 3.43Å; L591-G595 PolarHBondContact O-N 3.31Å; L591-L598 HydrophobicContact CB-CD1 4.43Å; L591-L598 HydrophobicContact CD2-CD1 3.82Å; L591-V603 HydrophobicContact CD2-CB 4.31Å; L591-V603 HydrophobicContact CD2-CG1 3.92Å; L591-V603 HydrophobicContact CD2-CG2 4.2Å; L591-V606 HydrophobicContact CD2-CB 3.99Å; L591-V606 HydrophobicContact CD2-CG1 3.79Å; L591-V606 HydrophobicContact CG-CG1 4.27Å |
| 592 | E | 91.7 | Very high | 90.3 | Very high | 140 Ų | 140 | 65.9 Ų | 65.9 | 65% | 0.654 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.9 | -41.8 | 173.5 | -72.1 | 168.4 | -167.4 | 0 | 0 | 111.9 | S588 Q589 A594 G595 | S588-E592 WeakPolarHBondContact O-CG 3.44Å; S588-E592 PolarHBondContact O-N 3.34Å; Q589-E592 PolarHBondContact O-N 3.43Å; E592-A594 PolarHBondContact O-N 3.46Å; E592-G595 PolarHBondContact O-N 3.35Å |
| 593 | Q | 91.6 | Very high | 90.2 | Very high | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.1 | -24.7 | 175.1 | -73 | 171 | 5.3 | 0 | 0 | 113.7 | Q589 L591 G595 | Q589-Q593 VanDerWaalsContact O-CG 3.27Å; Q589-Q593 WeakPolarHBondContact O-CG 3.33Å; Q589-Q593 PolarHBondContact O-N 2.96Å; L591-Q593 VanDerWaalsContact C-N 3.31Å; L591-Q593 PolarHBondContact O-N 3.03Å; Q593-G595 VanDerWaalsContact C-N 3.3Å |
| 594 | A | 89 | Confident | 90 | Very high | 30 Ų | 30 | 68 Ų | 68 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -79.6 | -12.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R590 L591 E592 L598 V606 | R590-A594 PolarHBondContact O-N 3.11Å; R590-A594 VanDerWaalsContact O-N 3.17Å; L591-A594 WeakPolarHBondContact O-CB 3.34Å; L591-A594 PolarHBondContact O-N 3.43Å; E592-A594 PolarHBondContact O-N 3.46Å; A594-L598 HydrophobicContact CB-CD1 3.94Å; A594-L598 HydrophobicContact CB-CD2 4.05Å; A594-L598 WeakPolarHBondContact O-CD2 3.38Å; A594-V606 HydrophobicContact CB-CG2 3.7Å |
| 595 | G | 87.3 | Confident | 89.9 | Confident | 38 Ų | 38 | 71 Ų | 71 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | trans | 114.7 | 168.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | L591 E592 Q593 L598 | L591-G595 PolarHBondContact O-N 3.31Å; E592-G595 PolarHBondContact O-N 3.35Å; Q593-G595 VanDerWaalsContact C-N 3.3Å; G595-L598 WeakPolarHBondContact O-CG 3.43Å | ||
| 596 | S | 77.9 | Confident | 89.9 | Confident | 110 Ų | 110 | 69.5 Ų | 69.5 | 77% | 0.769 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -80.8 | 152.2 | 168.8 | 54.5 | 0 | 0 | 0 | 0 | 111 | ||
| 597 | D | 78.2 | Confident | 89.8 | Confident | 164 Ų | 164 | 68 Ų | 68 | 88% | 0.877 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 62.1 | 50.7 | 177.7 | -54.4 | -39.8 | 0 | 0 | 0 | 115.5 | ||
| 598 | L | 85.9 | Confident | 89.7 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | trans | -72.8 | 135.7 | 176.9 | -56 | 174.3 | 0 | 0 | 0 | 111.8 | L591 A594 G595 R602 V603 | L591-L598 HydrophobicContact CB-CD1 4.43Å; L591-L598 HydrophobicContact CD2-CD1 3.82Å; A594-L598 HydrophobicContact CB-CD1 3.94Å; A594-L598 HydrophobicContact CB-CD2 4.05Å; A594-L598 WeakPolarHBondContact O-CD2 3.38Å; G595-L598 WeakPolarHBondContact O-CG 3.43Å; L598-R602 HydrophobicContact CB-CB 4.46Å; L598-R602 HydrophobicContact CB-CG 4.42Å; L598-R602 HydrophobicContact CD2-CG 3.85Å; L598-V603 HydrophobicContact CB-CG2 3.65Å; L598-V603 HydrophobicContact CD1-CG2 4.15Å | ||
| 599 | S | 88.7 | Confident | 89.6 | Confident | 60 Ų | 60 | 77.8 Ų | 77.8 | 42% | 0.42 | 40% | 0.404 | S | S | . | . | trans | -66.2 | 160.3 | 167.4 | 87.8 | 0 | 0 | 0 | 0 | 111.3 | E601 R602 V603 | S599-E601 VanDerWaalsContact C-N 3.26Å; S599-E601 VanDerWaalsContact CB-OE2 3.24Å; S599-E601 WeakPolarHBondContact CB-OE2 3.35Å; S599-E601 PolarHBondContact O-N 3.39Å; S599-E601 PolarHBondContact OG-OE2 2.86Å; S599-R602 PolarHBondContact O-N 2.84Å; S599-R602 VanDerWaalsContact O-N 3.12Å; S599-R602 PolarHBondContact OG-N 3.49Å; S599-V603 WeakPolarHBondContact O-CG2 3.48Å; S599-V603 PolarHBondContact O-N 2.83Å | ||
| 600 | V | 87 | Confident | 89.6 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 179.5 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | R602 V603 Q604 | V600-R602 VanDerWaalsContact C-N 3.33Å; V600-R602 PolarHBondContact O-N 2.69Å; V600-V603 PolarHBondContact O-N 3.02Å; V600-Q604 WeakPolarHBondContact O-CG 3.48Å; V600-Q604 PolarHBondContact O-N 2.98Å |
| 601 | E | 87.9 | Confident | 89.4 | Confident | 130 Ų | 130 | 69.2 Ų | 69.2 | 61% | 0.607 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | 177.4 | -55.7 | 72.3 | -154.7 | 0 | 0 | 110.6 | S599 Q604 E605 | S599-E601 VanDerWaalsContact C-N 3.26Å; S599-E601 VanDerWaalsContact CB-OE2 3.24Å; S599-E601 WeakPolarHBondContact CB-OE2 3.35Å; S599-E601 PolarHBondContact O-N 3.39Å; S599-E601 PolarHBondContact OG-OE2 2.86Å; E601-Q604 PolarHBondContact O-N 3.42Å; E601-E605 PolarHBondContact O-N 3.38Å |
| 602 | R | 90.3 | Very high | 89.2 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 37% | 0.37 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 178.1 | -176.5 | 55.9 | 177.2 | 174.4 | -2.3 | 111.7 | L598 S599 V600 Q604 E605 V606 | L598-R602 HydrophobicContact CB-CB 4.46Å; L598-R602 HydrophobicContact CB-CG 4.42Å; L598-R602 HydrophobicContact CD2-CG 3.85Å; S599-R602 PolarHBondContact O-N 2.84Å; S599-R602 VanDerWaalsContact O-N 3.12Å; S599-R602 PolarHBondContact OG-N 3.49Å; V600-R602 VanDerWaalsContact C-N 3.33Å; V600-R602 PolarHBondContact O-N 2.69Å; R602-Q604 VanDerWaalsContact C-N 3.34Å; R602-E605 IonicContact CZ-OE2 3.9Å; R602-E605 VanDerWaalsContact NH1-CD 3.32Å; R602-E605 IonicContact NH1-OE1 3.84Å; R602-E605 PolarHBondContact NH1-OE1 3.28Å; R602-E605 IonicContact NH1-OE2 3.04Å; R602-E605 PolarHBondContact NH1-OE2 3.24Å; R602-E605 PolarHBondContact O-N 2.88Å; R602-V606 WeakPolarHBondContact O-CG2 3.45Å; R602-V606 PolarHBondContact O-N 3.36Å |
| 603 | V | 91.5 | Very high | 89.2 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 15% | 0.145 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 174.3 | 174 | 0 | 0 | 0 | 0 | 110.5 | Y555 L591 L598 S599 V600 E605 V606 I607 | Y555-V603 HydrophobicContact CD2-CG1 3.72Å; Y555-V603 HydrophobicContact CE2-CB 4.43Å; Y555-V603 HydrophobicContact CE2-CG1 3.75Å; L591-V603 HydrophobicContact CD2-CB 4.31Å; L591-V603 HydrophobicContact CD2-CG1 3.92Å; L591-V603 HydrophobicContact CD2-CG2 4.2Å; L598-V603 HydrophobicContact CB-CG2 3.65Å; L598-V603 HydrophobicContact CD1-CG2 4.15Å; S599-V603 WeakPolarHBondContact O-CG2 3.48Å; S599-V603 PolarHBondContact O-N 2.83Å; V600-V603 PolarHBondContact O-N 3.02Å; V603-E605 VanDerWaalsContact C-N 3.35Å; V603-E605 PolarHBondContact O-N 3.2Å; V603-V606 PolarHBondContact O-N 2.94Å; V603-I607 HydrophobicContact CG1-CD1 3.85Å; V603-I607 HydrophobicContact CG1-CG1 4.49Å; V603-I607 WeakPolarHBondContact O-CG1 3.22Å; V603-I607 PolarHBondContact O-N 2.96Å |
| 604 | Q | 89.8 | Confident | 89 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 177.3 | -74.6 | -178.8 | -5.7 | 0 | 0 | 112.1 | V600 E601 R602 V606 I607 M608 | V600-Q604 WeakPolarHBondContact O-CG 3.48Å; V600-Q604 PolarHBondContact O-N 2.98Å; E601-Q604 PolarHBondContact O-N 3.42Å; R602-Q604 VanDerWaalsContact C-N 3.34Å; Q604-V606 PolarHBondContact O-N 3.32Å; Q604-I607 PolarHBondContact O-N 3.33Å; Q604-M608 WeakPolarHBondContact O-CG 3.29Å; Q604-M608 PolarHBondContact O-N 3.37Å |
| 605 | E | 91.6 | Very high | 88.9 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 177.1 | -165.4 | -162.7 | 164.9 | 0 | 0 | 112 | E601 R602 V603 I607 M608 K609 | E601-E605 PolarHBondContact O-N 3.38Å; R602-E605 IonicContact CZ-OE2 3.9Å; R602-E605 VanDerWaalsContact NH1-CD 3.32Å; R602-E605 IonicContact NH1-OE1 3.84Å; R602-E605 PolarHBondContact NH1-OE1 3.28Å; R602-E605 IonicContact NH1-OE2 3.04Å; R602-E605 PolarHBondContact NH1-OE2 3.24Å; R602-E605 PolarHBondContact O-N 2.88Å; V603-E605 VanDerWaalsContact C-N 3.35Å; V603-E605 PolarHBondContact O-N 3.2Å; E605-I607 VanDerWaalsContact C-N 3.32Å; E605-I607 PolarHBondContact O-N 3.32Å; E605-M608 PolarHBondContact O-N 2.96Å; E605-K609 WeakPolarHBondContact O-CG 3.4Å; E605-K609 PolarHBondContact O-N 3.23Å; E605-K609 WeakPolarHBondContact OE1-CE 3.22Å; E605-K609 IonicContact OE1-NZ 3.63Å; E605-K609 PolarHBondContact OE1-NZ 2.71Å |
| 606 | V | 94.2 | Very high | 88.5 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | R590 L591 A594 R602 V603 Q604 G610 | R590-V606 HydrophobicContact CB-CG1 4.02Å; L591-V606 HydrophobicContact CD2-CB 3.99Å; L591-V606 HydrophobicContact CD2-CG1 3.79Å; L591-V606 HydrophobicContact CG-CG1 4.27Å; A594-V606 HydrophobicContact CB-CG2 3.7Å; R602-V606 WeakPolarHBondContact O-CG2 3.45Å; R602-V606 PolarHBondContact O-N 3.36Å; V603-V606 PolarHBondContact O-N 2.94Å; Q604-V606 PolarHBondContact O-N 3.32Å; V606-G610 PolarHBondContact O-N 2.86Å |
| 607 | I | 94.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 176.9 | -70.3 | 170.6 | 0 | 0 | 0 | 110.8 | P551 V554 Y555 L558 F587 V603 Q604 E605 K609 G610 A611 | P551-I607 HydrophobicContact CB-CG2 3.82Å; V554-I607 HydrophobicContact CB-CG2 3.81Å; V554-I607 HydrophobicContact CG1-CD1 4.47Å; V554-I607 HydrophobicContact CG1-CG1 4.39Å; V554-I607 HydrophobicContact CG1-CG2 3.8Å; Y555-I607 HydrophobicContact CD2-CD1 3.98Å; Y555-I607 HydrophobicContact CG-CD1 4.41Å; L558-I607 HydrophobicContact CD1-CD1 3.98Å; L558-I607 HydrophobicContact CD1-CG1 4.25Å; F587-I607 HydrophobicContact CD1-CG1 4.26Å; F587-I607 HydrophobicContact CE1-CB 4.43Å; F587-I607 HydrophobicContact CE1-CG2 4.24Å; F587-I607 WeakPolarHBondContact CE1-O 3.39Å; V603-I607 HydrophobicContact CG1-CD1 3.85Å; V603-I607 HydrophobicContact CG1-CG1 4.49Å; V603-I607 WeakPolarHBondContact O-CG1 3.22Å; V603-I607 PolarHBondContact O-N 2.96Å; Q604-I607 PolarHBondContact O-N 3.33Å; E605-I607 VanDerWaalsContact C-N 3.32Å; E605-I607 PolarHBondContact O-N 3.32Å; I607-K609 PolarHBondContact O-N 3.35Å; I607-G610 PolarHBondContact O-N 3.17Å; I607-A611 VanDerWaalsContact O-CB 3.22Å; I607-A611 WeakPolarHBondContact O-CB 3.3Å; I607-A611 PolarHBondContact O-N 2.94Å |
| 608 | M | 92 | Very high | 89.1 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 54% | 0.542 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 179.6 | -74.2 | 178.3 | 70.1 | 0 | 0 | 111.9 | P551 Q604 E605 A611 Q612 | P551-M608 HydrophobicContact CB-CG 4.02Å; P551-M608 HydrophobicContact CG-CG 4.26Å; Q604-M608 WeakPolarHBondContact O-CG 3.29Å; Q604-M608 PolarHBondContact O-N 3.37Å; E605-M608 PolarHBondContact O-N 2.96Å; M608-A611 PolarHBondContact O-N 3.34Å; M608-Q612 PolarHBondContact O-N 3.32Å |
| 609 | K | 92.4 | Very high | 89.3 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.1 | -70.5 | 179.2 | -179.7 | 173.6 | 0 | 111.9 | E605 I607 A611 Q612 A613 | E605-K609 WeakPolarHBondContact O-CG 3.4Å; E605-K609 PolarHBondContact O-N 3.23Å; E605-K609 WeakPolarHBondContact OE1-CE 3.22Å; E605-K609 IonicContact OE1-NZ 3.63Å; E605-K609 PolarHBondContact OE1-NZ 2.71Å; I607-K609 PolarHBondContact O-N 3.35Å; K609-A611 VanDerWaalsContact C-N 3.35Å; K609-Q612 PolarHBondContact O-N 2.94Å; K609-A613 PolarHBondContact O-N 3.48Å |
| 610 | G | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F586 V606 I607 Q612 A613 L614 | F586-G610 WeakPolarHBondContact CE1-O 3.48Å; V606-G610 PolarHBondContact O-N 2.86Å; I607-G610 PolarHBondContact O-N 3.17Å; G610-Q612 VanDerWaalsContact C-N 3.27Å; G610-Q612 PolarHBondContact O-N 3Å; G610-A613 CarbonylContact O-C 3.54Å; G610-A613 PolarHBondContact O-N 3.3Å; G610-L614 PolarHBondContact O-N 2.71Å |
| 611 | A | 91.1 | Very high | 89.2 | Confident | 9 Ų | 9 | 77.2 Ų | 77.2 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -30.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L547 F587 I607 M608 K609 | L547-A611 HydrophobicContact CD2-CB 3.59Å; F587-A611 HydrophobicContact CZ-CB 4.11Å; I607-A611 VanDerWaalsContact O-CB 3.22Å; I607-A611 WeakPolarHBondContact O-CB 3.3Å; I607-A611 PolarHBondContact O-N 2.94Å; M608-A611 PolarHBondContact O-N 3.34Å; K609-A611 VanDerWaalsContact C-N 3.35Å |
| 612 | Q | 88.6 | Confident | 89.1 | Confident | 163 Ų | 163 | 73.6 Ų | 73.6 | 76% | 0.762 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -78.6 | -27.6 | 171.3 | -64.5 | 178.2 | -4.2 | 0 | 0 | 112.8 | M608 K609 G610 | M608-Q612 PolarHBondContact O-N 3.32Å; K609-Q612 PolarHBondContact O-N 2.94Å; G610-Q612 VanDerWaalsContact C-N 3.27Å; G610-Q612 PolarHBondContact O-N 3Å |
| 613 | A | 90.3 | Very high | 89 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 45% | 0.446 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -92.4 | -14 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F586 K609 G610 P615 | F586-A613 HydrophobicContact CZ-CB 4.44Å; K609-A613 PolarHBondContact O-N 3.48Å; G610-A613 CarbonylContact O-C 3.54Å; G610-A613 PolarHBondContact O-N 3.3Å; A613-P615 VanDerWaalsContact O-CD 3.25Å; A613-P615 WeakPolarHBondContact O-CD 3.26Å |
| 614 | L | 88.9 | Confident | 88.7 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -64.8 | 119.4 | -179.2 | -178.5 | 70.5 | 0 | 0 | 0 | 110.2 | L547 V583 F586 G610 K616 L619 | L547-L614 HydrophobicContact CD1-CD2 3.73Å; L547-L614 HydrophobicContact CD2-CD2 4.34Å; V583-L614 HydrophobicContact CG2-CD2 4.14Å; F586-L614 HydrophobicContact CB-CD1 3.98Å; F586-L614 HydrophobicContact CD1-CB 4.4Å; F586-L614 HydrophobicContact CD1-CD1 3.63Å; F586-L614 HydrophobicContact CD2-CD1 3.89Å; F586-L614 HydrophobicContact CE1-CB 4.01Å; F586-L614 HydrophobicContact CE1-CD1 3.99Å; F586-L614 HydrophobicContact CE2-CD1 4.23Å; F586-L614 HydrophobicContact CG-CD1 3.55Å; F586-L614 HydrophobicContact CZ-CB 4.3Å; F586-L614 HydrophobicContact CZ-CD1 4.27Å; G610-L614 PolarHBondContact O-N 2.71Å; L614-K616 PolarHBondContact O-N 3.24Å; L614-L619 HydrophobicContact CD2-CD1 4.23Å |
| 615 | P | 85.4 | Confident | 88.9 | Confident | 42 Ų | 42 | 77 Ų | 77 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | trans | -68.3 | 118 | 177.6 | -17.5 | 31.6 | 0 | 0 | 0 | 110.7 | A613 D617 R618 | A613-P615 VanDerWaalsContact O-CD 3.25Å; A613-P615 WeakPolarHBondContact O-CD 3.26Å; P615-D617 VanDerWaalsContact C-OD1 3.32Å; P615-D617 WeakPolarHBondContact CB-OD1 3.39Å; P615-D617 PolarHBondContact O-N 3.29Å; P615-R618 HydrophobicContact CB-CG 4.21Å; P615-R618 WeakPolarHBondContact O-CB 3.49Å; P615-R618 PolarHBondContact O-N 3.23Å | ||
| 616 | K | 80.6 | Confident | 89 | Confident | 138 Ų | 138 | 76.9 Ų | 76.9 | 60% | 0.6 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -65 | -25.6 | -176.6 | -66.8 | -171.3 | 179.3 | -173.3 | 0 | 113.2 | L614 R618 L619 | L614-K616 PolarHBondContact O-N 3.24Å; K616-R618 PolarHBondContact O-N 3.49Å; K616-L619 PolarHBondContact O-N 2.85Å |
| 617 | D | 83.5 | Confident | 89.1 | Confident | 137 Ų | 137 | 79.8 Ų | 79.8 | 73% | 0.733 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -64 | -19.9 | 176.2 | 56.8 | -59.7 | 0 | 0 | 0 | 113.5 | P615 L619 | P615-D617 VanDerWaalsContact C-OD1 3.32Å; P615-D617 WeakPolarHBondContact CB-OD1 3.39Å; P615-D617 PolarHBondContact O-N 3.29Å; D617-L619 VanDerWaalsContact C-N 3.31Å |
| 618 | R | 84.3 | Confident | 89.1 | Confident | 152 Ų | 152 | 87.2 Ų | 87.2 | 57% | 0.574 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -78.6 | -14.6 | 175.5 | -66 | -176 | 177.8 | -160.7 | -0.8 | 113.7 | T582 P615 K616 | T582-R618 HydrophobicContact CG2-CB 4.21Å; P615-R618 HydrophobicContact CB-CG 4.21Å; P615-R618 WeakPolarHBondContact O-CB 3.49Å; P615-R618 PolarHBondContact O-N 3.23Å; K616-R618 PolarHBondContact O-N 3.49Å |
| 619 | L | 89.9 | Confident | 89.2 | Confident | 17 Ų | 17 | 83.5 Ų | 83.5 | 9% | 0.089 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -92.6 | 126.5 | 179.9 | -59.2 | -179.7 | 0 | 0 | 0 | 109.8 | L543 N579 T582 V583 L614 K616 D617 K621 | L543-L619 WeakPolarHBondContact O-CD1 3.46Å; N579-L619 HydrophobicContact CB-CD2 4.24Å; N579-L619 WeakPolarHBondContact OD1-CA 3.45Å; T582-L619 HydrophobicContact CG2-CD2 4.13Å; V583-L619 HydrophobicContact CG2-CD2 3.98Å; L614-L619 HydrophobicContact CD2-CD1 4.23Å; K616-L619 PolarHBondContact O-N 2.85Å; D617-L619 VanDerWaalsContact C-N 3.31Å; L619-K621 PolarHBondContact O-N 3.22Å |
| 620 | K | 88.7 | Confident | 89.1 | Confident | 81 Ų | 81 | 83.9 Ų | 83.9 | 35% | 0.352 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 133.1 | 170.9 | -179.2 | 177.5 | 170.6 | -170.4 | 0 | 109.1 | D575 N579 F622 | D575-K620 PolarHBondContact O-NZ 3.5Å; D575-K620 VanDerWaalsContact O-NZ 3.1Å; N579-K620 PolarHBondContact ND2-O 3.27Å; N579-K620 WeakPolarHBondContact OD1-CB 3.19Å; N579-K620 PolarHBondContact OD1-N 2.87Å; K620-F622 HydrophobicContact CB-CE2 4.49Å; K620-F622 HydrophobicContact CB-CZ 4.49Å; K620-F622 HydrophobicContact CD-CE1 4.06Å; K620-F622 HydrophobicContact CD-CZ 3.94Å; K620-F622 HydrophobicContact CG-CE1 4.5Å; K620-F622 HydrophobicContact CG-CZ 4.29Å |
| 621 | K | 85.1 | Confident | 89 | Confident | 194 Ų | 194 | 86.1 Ų | 86.1 | 84% | 0.843 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 129.3 | 173.4 | -64.3 | -174.5 | 179.3 | -176.6 | 0 | 109.6 | L619 | L619-K621 PolarHBondContact O-N 3.22Š|
| 622 | F | 86.7 | Confident | 88.8 | Confident | 53 Ų | 53 | 92.4 Ų | 92.4 | 23% | 0.232 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -102.6 | 161.7 | 171.4 | -66.5 | -75.7 | 0 | 0 | 0 | 110 | N540 D575 I576 N579 K620 | N540-F622 HydrophobicContact CB-CD2 4.15Å; N540-F622 HydrophobicContact CB-CE2 4.21Å; D575-F622 WeakPolarHBondContact O-CE1 3.17Å; D575-F622 WeakPolarHBondContact O-CZ 3.38Å; I576-F622 HydrophobicContact CG1-CE1 4.13Å; N579-F622 HydrophobicContact CB-CE2 4.41Å; N579-F622 WeakPolarHBondContact ND2-CE2 3.07Å; K620-F622 HydrophobicContact CB-CE2 4.49Å; K620-F622 HydrophobicContact CB-CZ 4.49Å; K620-F622 HydrophobicContact CD-CE1 4.06Å; K620-F622 HydrophobicContact CD-CZ 3.94Å; K620-F622 HydrophobicContact CG-CE1 4.5Å; K620-F622 HydrophobicContact CG-CZ 4.29Å |
| 623 | P | 87.1 | Confident | 88.7 | Confident | 114 Ų | 114 | 92.6 Ų | 92.6 | 74% | 0.74 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 146.5 | 169.5 | -24.8 | 35.1 | 0 | 0 | 0 | 111.3 | L625 | P623-L625 PolarHBondContact O-N 3.16Š|
| 624 | E | 86.1 | Confident | 88.6 | Confident | 124 Ų | 124 | 95.3 Ų | 95.3 | 58% | 0.579 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 131.2 | 177.2 | -160.1 | -179 | 175.6 | 0 | 0 | 109.9 | K626 | E624-K626 HydrophobicContact CB-CG 4.49Å; E624-K626 HydrophobicContact CG-CG 3.93Å; E624-K626 PolarHBondContact O-N 3.2Å; E624-K626 VanDerWaalsContact O-N 3.1Å; E624-K626 WeakPolarHBondContact OE1-CE 3.29Å |
| 625 | L | 92.9 | Very high | 88.7 | Confident | 19 Ų | 19 | 95.5 Ų | 95.5 | 10% | 0.099 | 46% | 0.461 | C | S | . | . | trans | -81.2 | 90.3 | 176.7 | -64.9 | 178.3 | 0 | 0 | 0 | 109.3 | A469 M534 E537 I538 P623 F627 | A469-L625 HydrophobicContact CB-CB 4.02Å; A469-L625 HydrophobicContact CB-CD1 4.08Å; M534-L625 HydrophobicContact SD-CD2 4.36Å; E537-L625 HydrophobicContact CB-CD1 3.97Å; E537-L625 HydrophobicContact CB-CD2 4.24Å; I538-L625 HydrophobicContact CG1-CD1 4.23Å; P623-L625 PolarHBondContact O-N 3.16Å; L625-F627 HydrophobicContact CB-CE2 4.2Å; L625-F627 HydrophobicContact CD2-CE2 4.28Å | ||
| 626 | K | 93.9 | Very high | 89 | Confident | 71 Ų | 71 | 95 Ų | 95 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | trans | -125.6 | 112.9 | 176.1 | -69.3 | -65 | -173.8 | 175.3 | 0 | 110.2 | D409 N470 E624 | D409-K626 IonicContact OD1-NZ 3.98Å; D409-K626 PolarHBondContact OD1-NZ 3.25Å; D409-K626 IonicContact OD2-NZ 2.74Å; D409-K626 PolarHBondContact OD2-NZ 3.25Å; N470-K626 WeakPolarHBondContact OD1-CA 3.5Å; E624-K626 HydrophobicContact CB-CG 4.49Å; E624-K626 HydrophobicContact CG-CG 3.93Å; E624-K626 PolarHBondContact O-N 3.2Å; E624-K626 VanDerWaalsContact O-N 3.1Å; E624-K626 WeakPolarHBondContact OE1-CE 3.29Å | ||
| 627 | F | 96.1 | Very high | 89.5 | Confident | 71 Ų | 71 | 92.7 Ų | 92.7 | 31% | 0.311 | 45% | 0.449 | S | S | . | . | trans | -113 | 139.7 | 177.2 | -62.3 | -87.5 | 0 | 0 | 0 | 108.5 | L403 A466 A469 N470 M534 L625 | L403-F627 HydrophobicContact CD1-CB 4.47Å; A466-F627 HydrophobicContact CB-CB 3.68Å; A466-F627 HydrophobicContact CB-CD1 4.25Å; A466-F627 HydrophobicContact CB-CD2 4.24Å; A466-F627 HydrophobicContact CB-CG 3.79Å; A469-F627 HydrophobicContact CB-CD2 3.8Å; A469-F627 HydrophobicContact CB-CE2 3.5Å; N470-F627 PolarHBondContact ND2-O 3.01Å; N470-F627 PolarHBondContact OD1-N 3.09Å; N470-F627 PolarHBondContact OD1-O 3.14Å; M534-F627 HydrophobicContact CE-CE1 4.49Å; M534-F627 HydrophobicContact CE-CE2 4.47Å; M534-F627 HydrophobicContact CE-CZ 3.72Å; M534-F627 HydrophobicContact SD-CE2 4.28Å; M534-F627 HydrophobicContact SD-CZ 4.1Å; L625-F627 HydrophobicContact CB-CE2 4.2Å; L625-F627 HydrophobicContact CD2-CE2 4.28Å | ||
| 628 | K | 94.4 | Very high | 89.9 | Confident | 157 Ų | 157 | 89.1 Ų | 89.1 | 68% | 0.683 | 43% | 0.427 | S | S | * | . | trans | -119.5 | 145.7 | 174.9 | -62.9 | -169 | 175.1 | -175.6 | 0 | 109.3 | E407 | E407-K628 HydrophobicContact CG-CG 4.5Å; E407-K628 WeakPolarHBondContact OE1-CA 3.45Å; E407-K628 WeakPolarHBondContact OE2-CG 3.45Å | ||
| 629 | Y | 94.3 | Very high | 90.4 | Very high | 32 Ų | 32 | 82.3 Ų | 82.3 | 13% | 0.125 | 40% | 0.401 | C | S | . | . | trans | -65.5 | 134.9 | 165.5 | 178.1 | -106.7 | 0 | 0 | 0 | 109.5 | Y354 H358 I400 L403 I404 E407 E631 | Y354-Y629 HydrophobicContact CE2-CD1 4.49Å; Y354-Y629 AromaticContact CE2-CE1 3.78Å; Y354-Y629 HydrophobicContact CE2-CE1 3.78Å; Y354-Y629 WeakPolarHBondContact OH-CE1 3.11Å; Y354-Y629 PolarHBondContact OH-OH 3.46Å; H358-Y629 AromaticContact CD2-CE1 3.6Å; H358-Y629 AromaticContact NE2-CE1 3.89Å; I400-Y629 HydrophobicContact CB-CD2 4.45Å; I400-Y629 HydrophobicContact CB-CE2 4.38Å; I400-Y629 HydrophobicContact CD1-CE2 3.75Å; I400-Y629 HydrophobicContact CG1-CD2 4.17Å; I400-Y629 HydrophobicContact CG1-CE2 3.84Å; I400-Y629 HydrophobicContact CG2-CD1 4.08Å; I400-Y629 HydrophobicContact CG2-CD2 3.6Å; I400-Y629 HydrophobicContact CG2-CE1 4.09Å; I400-Y629 HydrophobicContact CG2-CE2 3.62Å; I400-Y629 HydrophobicContact CG2-CG 3.83Å; L403-Y629 HydrophobicContact CD2-CD2 4.37Å; I404-Y629 HydrophobicContact CD1-CD1 4.12Å; I404-Y629 HydrophobicContact CD1-CG 4.42Å; I404-Y629 HydrophobicContact CG1-CD1 4.3Å; I404-Y629 HydrophobicContact CG1-CG 4.2Å; E407-Y629 PolarHBondContact OE1-N 2.84Å; Y629-E631 HydrophobicContact CE1-CB 3.94Å | ||
| 630 | V | 91.4 | Very high | 90.7 | Very high | 117 Ų | 117 | 82 Ų | 82 | 71% | 0.709 | 40% | 0.4 | S | S | * | . | trans | -129.6 | 118.2 | 173.1 | -179 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 631 | E | 89.9 | Confident | 91 | Very high | 47 Ų | 47 | 79.1 Ų | 79.1 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | trans | -66.1 | 142.4 | 173.1 | -172.3 | 168.3 | 76.4 | 0 | 0 | 109.3 | Y354 H358 Y629 P635 F639 | Y354-E631 PolarHBondContact OH-OE2 3.38Å; H358-E631 IonicContact CD2-OE2 3.01Å; Y629-E631 HydrophobicContact CE1-CB 3.94Å; E631-P635 HydrophobicContact CG-CB 3.58Å; E631-P635 HydrophobicContact CG-CG 4.08Å; E631-F639 VanDerWaalsContact OE2-CE2 3.31Å; E631-F639 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 632 | E | 87.9 | Confident | 91.5 | Very high | 142 Ų | 142 | 69.9 Ų | 69.9 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | trans | -68.1 | 165.1 | 179.7 | -63.5 | -168.5 | 172.5 | 0 | 0 | 111.6 | Q634 P635 | E632-Q634 VanDerWaalsContact C-N 3.28Å; E632-Q634 PolarHBondContact O-N 2.97Å; E632-P635 VanDerWaalsContact O-CD 3.32Å; E632-P635 WeakPolarHBondContact O-CD 3.33Å | ||
| 633 | D | 85.4 | Confident | 92 | Very high | 167 Ų | 167 | 67.4 Ų | 67.4 | 89% | 0.893 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -65.1 | -29 | -175.5 | -68.2 | -34.5 | 0 | 0 | 0 | 113.6 | P635 | D633-P635 VanDerWaalsContact C-CD 3.45Å; D633-P635 WeakPolarHBondContact O-CD 3.3Å |
| 634 | Q | 87.9 | Confident | 92.4 | Very high | 111 Ų | 111 | 62.3 Ų | 62.3 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | trans | -123.4 | 67 | 179.7 | -62.7 | -171.5 | -59.4 | 0 | 0 | 110.6 | E632 E636 D637 | E632-Q634 VanDerWaalsContact C-N 3.28Å; E632-Q634 PolarHBondContact O-N 2.97Å; Q634-E636 PolarHBondContact O-N 3.19Å; Q634-D637 PolarHBondContact O-N 2.99Å | ||
| 635 | P | 91.2 | Very high | 92.8 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.3 | -175.1 | 28.9 | -34.1 | 0 | 0 | 0 | 112.5 | E631 E632 D633 D637 F638 F639 | E631-P635 HydrophobicContact CG-CB 3.58Å; E631-P635 HydrophobicContact CG-CG 4.08Å; E632-P635 VanDerWaalsContact O-CD 3.32Å; E632-P635 WeakPolarHBondContact O-CD 3.33Å; D633-P635 VanDerWaalsContact C-CD 3.45Å; D633-P635 WeakPolarHBondContact O-CD 3.3Å; P635-D637 PolarHBondContact O-N 3.04Å; P635-F638 PolarHBondContact O-N 3.38Å; P635-F638 VanDerWaalsContact O-N 3.11Å; P635-F639 HydrophobicContact CB-CD2 3.81Å; P635-F639 HydrophobicContact CB-CE2 3.89Å; P635-F639 WeakPolarHBondContact O-CD2 3.34Å; P635-F639 PolarHBondContact O-N 3.37Å |
| 636 | E | 91.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -30.6 | 177.2 | 64.4 | -94.9 | -145.4 | 0 | 0 | 113.6 | I193 R195 T296 Q634 F638 I640 P641 | I193-E636 HydrophobicContact CD1-CB 3.8Å; I193-E636 HydrophobicContact CD1-CG 3.41Å; I193-E636 VanDerWaalsContact CD1-CG 3.41Å; R195-E636 IonicContact CZ-OE1 2.72Å; R195-E636 IonicContact NH1-OE1 3.66Å; R195-E636 PolarHBondContact NH1-OE1 3.35Å; R195-E636 IonicContact NH2-OE1 3.37Å; R195-E636 PolarHBondContact NH2-OE1 3.47Å; T296-E636 HydrophobicContact CG2-CB 4.41Å; T296-E636 HydrophobicContact CG2-CG 4.5Å; Q634-E636 PolarHBondContact O-N 3.19Å; E636-F638 PolarHBondContact O-N 3.25Å; E636-I640 HydrophobicContact CB-CD1 3.85Å; E636-I640 HydrophobicContact CB-CG1 4.25Å; E636-I640 WeakPolarHBondContact O-CB 3.44Å; E636-I640 PolarHBondContact O-N 3.32Å; E636-P641 WeakPolarHBondContact O-CD 3.32Å |
| 637 | D | 91.7 | Very high | 92.9 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.6 | -26.2 | 178.5 | -70.7 | -12.1 | 0 | 0 | 0 | 112.2 | I193 Q634 P635 P641 | I193-D637 WeakPolarHBondContact CD1-OD1 3.38Å; Q634-D637 PolarHBondContact O-N 2.99Å; P635-D637 PolarHBondContact O-N 3.04Å; D637-P641 WeakPolarHBondContact O-CD 3.48Å; D637-P641 WeakPolarHBondContact O-CG 3.49Å |
| 638 | F | 92.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 27% | 0.268 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -93.4 | -52.2 | 173.3 | 175.6 | -96.4 | 0 | 0 | 0 | 111.7 | H393 Y396 M397 P635 E636 Y642 | H393-F638 HydrophobicContact CB-CZ 4.19Å; H393-F638 AromaticContact CD2-CE2 3.61Å; Y396-F638 HydrophobicContact CD2-CE2 4.48Å; M397-F638 HydrophobicContact CE-CE1 3.43Å; M397-F638 VanDerWaalsContact CE-CE1 3.43Å; M397-F638 HydrophobicContact CE-CZ 3.67Å; M397-F638 HydrophobicContact SD-CE1 4.22Å; P635-F638 PolarHBondContact O-N 3.38Å; P635-F638 VanDerWaalsContact O-N 3.11Å; E636-F638 PolarHBondContact O-N 3.25Å; F638-Y642 HydrophobicContact CE1-CD1 4.05Å; F638-Y642 HydrophobicContact CZ-CD1 4.24Å; F638-Y642 HydrophobicContact CZ-CG 4.49Å; F638-Y642 VanDerWaalsContact O-CB 3.26Å; F638-Y642 WeakPolarHBondContact O-CB 3.42Å; F638-Y642 PolarHBondContact O-N 2.94Å; F638-Y642 VanDerWaalsContact O-N 3.09Å |
| 639 | F | 95.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.5 | -37.1 | -168.7 | -72.6 | -67.7 | 0 | 0 | 0 | 113.6 | N294 L351 Y354 M397 E631 P635 Y642 V643 | N294-F639 WeakPolarHBondContact OD1-CB 3.34Å; L351-F639 HydrophobicContact CD1-CD1 3.79Å; L351-F639 HydrophobicContact CD1-CE1 3.67Å; Y354-F639 AromaticContact CD1-CE1 3.91Å; Y354-F639 HydrophobicContact CD1-CE1 3.91Å; Y354-F639 HydrophobicContact CD1-CZ 4.07Å; Y354-F639 AromaticContact CE1-CE1 3.45Å; Y354-F639 HydrophobicContact CE1-CE1 3.45Å; Y354-F639 VanDerWaalsContact CE1-CE1 3.45Å; Y354-F639 HydrophobicContact CE1-CE2 4.04Å; Y354-F639 AromaticContact CE1-CZ 3.18Å; Y354-F639 HydrophobicContact CE1-CZ 3.18Å; Y354-F639 HydrophobicContact CE2-CZ 4.5Å; Y354-F639 AromaticContact CZ-CZ 3.43Å; Y354-F639 VanDerWaalsContact CZ-CZ 3.43Å; Y354-F639 WeakPolarHBondContact OH-CZ 3.26Å; M397-F639 HydrophobicContact CE-CE1 4.39Å; M397-F639 HydrophobicContact SD-CE1 3.88Å; E631-F639 VanDerWaalsContact OE2-CE2 3.31Å; E631-F639 WeakPolarHBondContact OE2-CE2 3.39Å; P635-F639 HydrophobicContact CB-CD2 3.81Å; P635-F639 HydrophobicContact CB-CE2 3.89Å; P635-F639 WeakPolarHBondContact O-CD2 3.34Å; P635-F639 PolarHBondContact O-N 3.37Å; F639-Y642 PolarHBondContact O-N 3.09Å; F639-V643 WeakPolarHBondContact O-CB 3.4Å; F639-V643 WeakPolarHBondContact O-CG2 3.23Å; F639-V643 PolarHBondContact O-N 3.25Å |
| 640 | I | 95.5 | Very high | 92.2 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -52.3 | -178.8 | -66.5 | 179.1 | 0 | 0 | 0 | 110.6 | Q187 I193 N294 T296 E636 Y642 V643 W644 L663 | Q187-I640 HydrophobicContact CG-CG2 3.58Å; I193-I640 HydrophobicContact CD1-CD1 4.21Å; I193-I640 HydrophobicContact CG1-CD1 4.31Å; I193-I640 HydrophobicContact CG2-CD1 3.48Å; I193-I640 VanDerWaalsContact CG2-CD1 3.48Å; N294-I640 HydrophobicContact CB-CG1 4.42Å; N294-I640 WeakPolarHBondContact O-CD1 3.45Å; N294-I640 WeakPolarHBondContact O-CG1 3.34Å; T296-I640 HydrophobicContact CG2-CD1 3.95Å; E636-I640 HydrophobicContact CB-CD1 3.85Å; E636-I640 HydrophobicContact CB-CG1 4.25Å; E636-I640 WeakPolarHBondContact O-CB 3.44Å; E636-I640 PolarHBondContact O-N 3.32Å; I640-Y642 VanDerWaalsContact C-N 3.3Å; I640-Y642 PolarHBondContact O-N 3.33Å; I640-V643 PolarHBondContact O-N 3Å; I640-W644 VanDerWaalsContact O-CD1 3.27Å; I640-W644 PolarHBondContact O-N 3.03Å; I640-W644 VanDerWaalsContact O-N 3.09Å; I640-L663 HydrophobicContact CG2-CD2 4.47Å |
| 641 | P | 95.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -40.9 | 173.8 | -26 | 36.3 | 0 | 0 | 0 | 112.9 | E636 D637 W644 S645 L663 F664 | E636-P641 WeakPolarHBondContact O-CD 3.32Å; D637-P641 WeakPolarHBondContact O-CD 3.48Å; D637-P641 WeakPolarHBondContact O-CG 3.49Å; P641-W644 PolarHBondContact O-N 3.03Å; P641-S645 WeakPolarHBondContact O-CB 3.37Å; P641-S645 PolarHBondContact O-N 3.45Å; P641-L663 HydrophobicContact CB-CG 4.18Å; P641-L663 HydrophobicContact CG-CD1 4.03Å; P641-L663 HydrophobicContact CG-CG 4.2Å; P641-F664 HydrophobicContact CB-CB 4.28Å; P641-F664 HydrophobicContact CB-CD1 4.38Å; P641-F664 WeakPolarHBondContact O-CD1 3.42Å |
| 642 | Y | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | 179.4 | 179.3 | -141.5 | 0 | 0 | 0 | 112.2 | L351 H393 M397 F638 F639 I640 W644 S645 L646 | L351-Y642 HydrophobicContact CB-CE1 4.35Å; L351-Y642 HydrophobicContact CD1-CD1 4.29Å; L351-Y642 HydrophobicContact CD1-CE1 4.11Å; L351-Y642 HydrophobicContact CD2-CD1 3.93Å; L351-Y642 HydrophobicContact CD2-CE1 3.92Å; L351-Y642 HydrophobicContact CG-CE1 4.35Å; H393-Y642 HydrophobicContact CB-CD1 4.34Å; H393-Y642 HydrophobicContact CB-CD2 3.43Å; H393-Y642 VanDerWaalsContact CB-CD2 3.43Å; H393-Y642 HydrophobicContact CB-CE1 4.24Å; H393-Y642 HydrophobicContact CB-CE2 3.3Å; H393-Y642 HydrophobicContact CB-CG 3.96Å; H393-Y642 AromaticContact CG-CD2 3.73Å; H393-Y642 AromaticContact ND1-CD2 3.35Å; H393-Y642 VanDerWaalsContact ND1-CD2 3.35Å; H393-Y642 WeakPolarHBondContact ND1-CD2 3.41Å; H393-Y642 AromaticContact ND1-CG 3.91Å; M397-Y642 HydrophobicContact CG-CE1 3.69Å; M397-Y642 HydrophobicContact SD-CE1 4.49Å; F638-Y642 HydrophobicContact CE1-CD1 4.05Å; F638-Y642 HydrophobicContact CZ-CD1 4.24Å; F638-Y642 HydrophobicContact CZ-CG 4.49Å; F638-Y642 VanDerWaalsContact O-CB 3.26Å; F638-Y642 WeakPolarHBondContact O-CB 3.42Å; F638-Y642 PolarHBondContact O-N 2.94Å; F638-Y642 VanDerWaalsContact O-N 3.09Å; F639-Y642 PolarHBondContact O-N 3.09Å; I640-Y642 VanDerWaalsContact C-N 3.3Å; I640-Y642 PolarHBondContact O-N 3.33Å; Y642-W644 VanDerWaalsContact C-N 3.28Å; Y642-W644 PolarHBondContact O-N 3.4Å; Y642-S645 WeakPolarHBondContact O-CB 3.45Å; Y642-S645 PolarHBondContact O-N 3.19Å; Y642-S645 PolarHBondContact O-OG 3.17Å; Y642-L646 HydrophobicContact CD2-CD2 4.37Å; Y642-L646 HydrophobicContact CD2-CG 4.29Å; Y642-L646 HydrophobicContact CE1-CD1 4.42Å; Y642-L646 HydrophobicContact CE2-CD1 4.24Å; Y642-L646 HydrophobicContact CE2-CD2 3.69Å; Y642-L646 HydrophobicContact CE2-CG 3.99Å; Y642-L646 WeakPolarHBondContact O-CG 3.4Å; Y642-L646 PolarHBondContact O-N 2.95Å |
| 643 | V | 96.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 111 | L290 V291 N294 L351 F639 I640 S645 L646 V647 | L290-V643 HydrophobicContact CB-CG1 3.93Å; L290-V643 HydrophobicContact CB-CG2 4.22Å; V291-V643 HydrophobicContact CB-CG1 4.39Å; V291-V643 HydrophobicContact CG2-CG1 3.56Å; N294-V643 HydrophobicContact CB-CG2 4.5Å; L351-V643 HydrophobicContact CD2-CG2 3.55Å; F639-V643 WeakPolarHBondContact O-CB 3.4Å; F639-V643 WeakPolarHBondContact O-CG2 3.23Å; F639-V643 PolarHBondContact O-N 3.25Å; I640-V643 PolarHBondContact O-N 3Å; V643-S645 VanDerWaalsContact C-N 3.32Å; V643-S645 PolarHBondContact O-N 3.24Å; V643-L646 WeakPolarHBondContact O-CA 3.36Å; V643-L646 VanDerWaalsContact O-CB 3.31Å; V643-L646 WeakPolarHBondContact O-CB 3.27Å; V643-L646 PolarHBondContact O-N 3.35Å; V643-L646 VanDerWaalsContact O-N 3.08Å; V643-V647 PolarHBondContact O-N 3.04Å |
| 644 | W | 96.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.4 | -31.1 | 178.2 | -83.2 | 110.6 | 0 | 0 | 0 | 113.2 | L181 F184 Q187 L188 V291 I640 P641 Y642 L646 V647 F648 L663 F664 | L181-W644 HydrophobicContact CD1-CH2 4.44Å; F184-W644 VanDerWaalsContact C-CH2 3.42Å; F184-W644 VanDerWaalsContact C-CZ2 3.42Å; F184-W644 HydrophobicContact CB-CH2 3.96Å; F184-W644 HydrophobicContact CB-CZ2 3.8Å; F184-W644 WeakPolarHBondContact O-CH2 3.49Å; F184-W644 WeakPolarHBondContact O-CZ2 3.45Å; Q187-W644 HydrophobicContact CB-CZ2 4.45Å; L188-W644 HydrophobicContact CD1-CE3 3.84Å; L188-W644 HydrophobicContact CD1-CZ3 4.06Å; L188-W644 HydrophobicContact CD2-CB 3.72Å; L188-W644 HydrophobicContact CD2-CD2 4Å; L188-W644 HydrophobicContact CD2-CE3 3.74Å; L188-W644 HydrophobicContact CD2-CG 4.02Å; L188-W644 HydrophobicContact CG-CD2 4.02Å; L188-W644 HydrophobicContact CG-CE3 3.59Å; L188-W644 HydrophobicContact CG-CG 4.48Å; L188-W644 HydrophobicContact CG-CZ3 4.15Å; V291-W644 HydrophobicContact CG1-CZ2 3.87Å; V291-W644 HydrophobicContact CG2-CH2 4.34Å; V291-W644 HydrophobicContact CG2-CZ2 4.05Å; I640-W644 VanDerWaalsContact O-CD1 3.27Å; I640-W644 PolarHBondContact O-N 3.03Å; I640-W644 VanDerWaalsContact O-N 3.09Å; P641-W644 PolarHBondContact O-N 3.03Å; Y642-W644 VanDerWaalsContact C-N 3.28Å; Y642-W644 PolarHBondContact O-N 3.4Å; W644-L646 VanDerWaalsContact C-N 3.27Å; W644-L646 PolarHBondContact O-N 2.72Å; W644-V647 HydrophobicContact CE3-CB 3.88Å; W644-V647 HydrophobicContact CE3-CG1 3.92Å; W644-V647 HydrophobicContact CE3-CG2 4.12Å; W644-V647 HydrophobicContact CZ3-CB 4.19Å; W644-V647 HydrophobicContact CZ3-CG1 3.76Å; W644-V647 HydrophobicContact CZ3-CG2 4.31Å; W644-V647 PolarHBondContact O-N 3.49Å; W644-F648 WeakPolarHBondContact O-CB 3.38Å; W644-F648 PolarHBondContact O-N 3.3Å; W644-L663 HydrophobicContact CB-CD2 3.55Å; W644-L663 HydrophobicContact CG-CD2 3.73Å; W644-F664 HydrophobicContact CB-CE1 3.88Å |
| 645 | S | 94.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -34 | 169.7 | 81.6 | 0 | 0 | 0 | 0 | 111.8 | P641 Y642 V643 F648 N649 | P641-S645 WeakPolarHBondContact O-CB 3.37Å; P641-S645 PolarHBondContact O-N 3.45Å; Y642-S645 WeakPolarHBondContact O-CB 3.45Å; Y642-S645 PolarHBondContact O-N 3.19Å; Y642-S645 PolarHBondContact O-OG 3.17Å; V643-S645 VanDerWaalsContact C-N 3.32Å; V643-S645 PolarHBondContact O-N 3.24Å; S645-F648 PolarHBondContact O-N 3.49Å; S645-N649 WeakPolarHBondContact O-CB 3.44Å; S645-N649 PolarHBondContact O-N 3.12Å; S645-N649 PolarHBondContact O-ND2 3.33Å |
| 646 | L | 93.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.1 | -40.8 | 173.5 | -58.1 | -178.8 | 0 | 0 | 0 | 111.8 | L287 D347 Q348 L351 Y642 V643 W644 F648 N649 S650 | L287-L646 HydrophobicContact CD2-CB 3.89Å; D347-L646 HydrophobicContact CB-CD1 4.39Å; D347-L646 HydrophobicContact CB-CD2 3.45Å; D347-L646 VanDerWaalsContact CB-CD2 3.45Å; Q348-L646 HydrophobicContact CG-CB 4.22Å; Q348-L646 HydrophobicContact CG-CD1 4.13Å; L351-L646 HydrophobicContact CD2-CD1 4.05Å; Y642-L646 HydrophobicContact CD2-CD2 4.37Å; Y642-L646 HydrophobicContact CD2-CG 4.29Å; Y642-L646 HydrophobicContact CE1-CD1 4.42Å; Y642-L646 HydrophobicContact CE2-CD1 4.24Å; Y642-L646 HydrophobicContact CE2-CD2 3.69Å; Y642-L646 HydrophobicContact CE2-CG 3.99Å; Y642-L646 WeakPolarHBondContact O-CG 3.4Å; Y642-L646 PolarHBondContact O-N 2.95Å; V643-L646 WeakPolarHBondContact O-CA 3.36Å; V643-L646 VanDerWaalsContact O-CB 3.31Å; V643-L646 WeakPolarHBondContact O-CB 3.27Å; V643-L646 PolarHBondContact O-N 3.35Å; V643-L646 VanDerWaalsContact O-N 3.08Å; W644-L646 VanDerWaalsContact C-N 3.27Å; W644-L646 PolarHBondContact O-N 2.72Å; L646-F648 VanDerWaalsContact C-N 3.31Å; L646-N649 PolarHBondContact O-N 3.23Å; L646-S650 WeakPolarHBondContact O-CB 3.47Å; L646-S650 PolarHBondContact O-N 2.78Å |
| 647 | V | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | L181 L287 V291 V643 W644 G651 | L181-V647 HydrophobicContact CD1-CG1 4.46Å; L181-V647 HydrophobicContact CD1-CG2 4.1Å; L181-V647 HydrophobicContact CD2-CG1 3.7Å; L181-V647 HydrophobicContact CD2-CG2 4.32Å; L181-V647 HydrophobicContact CG-CG1 4.15Å; L287-V647 HydrophobicContact CB-CG2 4.2Å; L287-V647 HydrophobicContact CD2-CG2 4.03Å; V291-V647 HydrophobicContact CG2-CG2 3.99Å; V643-V647 PolarHBondContact O-N 3.04Å; W644-V647 HydrophobicContact CE3-CB 3.88Å; W644-V647 HydrophobicContact CE3-CG1 3.92Å; W644-V647 HydrophobicContact CE3-CG2 4.12Å; W644-V647 HydrophobicContact CZ3-CB 4.19Å; W644-V647 HydrophobicContact CZ3-CG1 3.76Å; W644-V647 HydrophobicContact CZ3-CG2 4.31Å; W644-V647 PolarHBondContact O-N 3.49Å; V647-G651 WeakPolarHBondContact O-CA 3.33Å; V647-G651 PolarHBondContact O-N 3.08Å |
| 648 | F | 92.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 24.1 Ų | 24.1 | 18% | 0.18 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 178.6 | -179.8 | -85.2 | 0 | 0 | 0 | 111.7 | W644 S645 L646 W656 I661 F664 M666 | W644-F648 WeakPolarHBondContact O-CB 3.38Å; W644-F648 PolarHBondContact O-N 3.3Å; S645-F648 PolarHBondContact O-N 3.49Å; L646-F648 VanDerWaalsContact C-N 3.31Å; F648-W656 HydrophobicContact CD2-CB 3.39Å; F648-W656 AromaticContact CD2-CG 3.95Å; F648-W656 HydrophobicContact CD2-CG 3.95Å; F648-W656 HydrophobicContact CE2-CB 3.37Å; F648-W656 HydrophobicContact CE2-CG 4.38Å; F648-W656 WeakPolarHBondContact CE2-O 3.24Å; F648-W656 HydrophobicContact CZ-CB 4.45Å; F648-I661 HydrophobicContact CD2-CD1 3.42Å; F648-I661 VanDerWaalsContact CD2-CD1 3.42Å; F648-I661 HydrophobicContact CE2-CD1 3.38Å; F648-F664 HydrophobicContact CB-CZ 4.04Å; F648-F664 HydrophobicContact CG-CZ 4.34Å; F648-M666 HydrophobicContact CD1-CE 4.2Å; F648-M666 HydrophobicContact CE1-CE 3.4Å; F648-M666 HydrophobicContact CE2-CE 3.8Å; F648-M666 HydrophobicContact CZ-CE 3.18Å |
| 649 | N | 89.2 | Confident | 90.3 | Very high | 102 Ų | 102 | 28.2 Ų | 28.2 | 55% | 0.545 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -83.9 | -28.4 | -173.6 | -72 | -44.9 | 0 | 0 | 0 | 114.3 | S645 L646 | S645-N649 WeakPolarHBondContact O-CB 3.44Å; S645-N649 PolarHBondContact O-N 3.12Å; S645-N649 PolarHBondContact O-ND2 3.33Å; L646-N649 PolarHBondContact O-N 3.23Å |
| 650 | S | 89 | Confident | 89.7 | Confident | 46 Ų | 46 | 30 Ų | 30 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -127.7 | 4.1 | -170 | -50.3 | 0 | 0 | 0 | 0 | 114.4 | N283 Q348 L646 V652 | N283-S650 PolarHBondContact ND2-O 2.94Å; Q348-S650 PolarHBondContact NE2-OG 2.87Å; L646-S650 WeakPolarHBondContact O-CB 3.47Å; L646-S650 PolarHBondContact O-N 2.78Å; S650-V652 PolarHBondContact O-N 3.25Å |
| 651 | G | 88.4 | Confident | 89.5 | Confident | 13 Ų | 13 | 30.5 Ų | 30.5 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | trans | -62.2 | 120.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V647 | V647-G651 WeakPolarHBondContact O-CA 3.33Å; V647-G651 PolarHBondContact O-N 3.08Å | ||
| 652 | V | 85.5 | Confident | 89.4 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 131.3 | -177 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | F174 P280 S650 L654 | F174-V652 HydrophobicContact CE2-CB 4.42Å; F174-V652 HydrophobicContact CZ-CB 4.13Å; F174-V652 HydrophobicContact CZ-CG1 4.08Å; P280-V652 HydrophobicContact CB-CB 4.31Å; P280-V652 HydrophobicContact CB-CG1 3.86Å; P280-V652 HydrophobicContact CG-CG1 4.16Å; S650-V652 PolarHBondContact O-N 3.25Å; V652-L654 PolarHBondContact O-N 3.46Å |
| 653 | G | 78.2 | Confident | 89.4 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 13.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P44 T45 S50 | P44-G653 WeakPolarHBondContact O-CA 3.39Å; T45-G653 PolarHBondContact O-N 3.45Å; S50-G653 PolarHBondContact OG-O 3.43Å |
| 654 | L | 85.4 | Confident | 89 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -112.3 | 123.7 | 176.1 | -63.4 | -176.3 | 0 | 0 | 0 | 110.4 | T178 L181 I182 V652 W656 | T178-L654 HydrophobicContact CG2-CD1 4.21Å; T178-L654 HydrophobicContact CG2-CD2 3.75Å; T178-L654 HydrophobicContact CG2-CG 4.12Å; L181-L654 HydrophobicContact CD2-CD1 4.11Å; I182-L654 HydrophobicContact CD1-CD1 4.19Å; I182-L654 HydrophobicContact CD1-CD2 3.77Å; I182-L654 HydrophobicContact CG1-CD2 4.4Å; V652-L654 PolarHBondContact O-N 3.46Å; L654-W656 HydrophobicContact CD1-CZ2 4.03Å | ||
| 655 | H | 88 | Confident | 88.1 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | trans | -102.8 | 134.7 | 163.1 | 168.8 | -95.5 | 0 | 0 | 0 | 109 | S50 K51 E54 K115 | S50-H655 PolarHBondContact OG-N 2.97Å; K51-H655 HydrophobicContact CB-CB 4.19Å; E54-H655 IonicContact OE2-CE1 3.28Å; E54-H655 IonicContact OE2-CG 2.73Å; E54-H655 IonicContact OE2-ND1 3.05Å; E54-H655 PolarHBondContact OE2-ND1 3.44Å; K115-H655 WeakPolarHBondContact CE-O 3.34Å; K115-H655 PolarHBondContact NZ-O 3.33Å | ||
| 656 | W | 88.1 | Confident | 86.8 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | trans | -119.8 | 122.9 | 173.6 | -63.3 | 105.2 | 0 | 0 | 0 | 108.2 | K115 I182 S185 L188 F189 F648 L654 P658 I661 | K115-W656 HydrophobicContact CG-CZ3 4.42Å; I182-W656 HydrophobicContact CD1-CH2 3.4Å; I182-W656 HydrophobicContact CD1-CZ2 3.66Å; I182-W656 HydrophobicContact CD1-CZ3 4.42Å; S185-W656 WeakPolarHBondContact OG-CH2 3.49Å; L188-W656 HydrophobicContact CD1-CD2 3.88Å; L188-W656 HydrophobicContact CD1-CE3 3.78Å; L188-W656 HydrophobicContact CD1-CH2 4.13Å; L188-W656 HydrophobicContact CD1-CZ2 4.2Å; L188-W656 HydrophobicContact CD1-CZ3 3.92Å; F189-W656 HydrophobicContact CZ-CZ3 4.38Å; F648-W656 HydrophobicContact CD2-CB 3.39Å; F648-W656 AromaticContact CD2-CG 3.95Å; F648-W656 HydrophobicContact CD2-CG 3.95Å; F648-W656 HydrophobicContact CE2-CB 3.37Å; F648-W656 HydrophobicContact CE2-CG 4.38Å; F648-W656 WeakPolarHBondContact CE2-O 3.24Å; F648-W656 HydrophobicContact CZ-CB 4.45Å; L654-W656 HydrophobicContact CD1-CZ2 4.03Å; W656-P658 WeakPolarHBondContact O-CD 3.38Å; W656-I661 HydrophobicContact CB-CD1 4.33Å | ||
| 657 | N | 85.6 | Confident | 84.7 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | trans | -69.4 | 122.8 | 173.2 | -173 | -8.5 | 0 | 0 | 0 | 108.4 | H659 | N657-H659 PolarHBondContact O-N 2.85Å; N657-H659 WeakPolarHBondContact OD1-CB 3.26Å; N657-H659 PolarHBondContact OD1-N 2.93Å; N657-H659 PolarHBondContact OD1-ND1 3.5Å | ||
| 658 | P | 86.8 | Confident | 82 | Confident | 57 Ų | 57 | 53.5 Ų | 53.5 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -61.5 | -24.3 | 176.5 | 25.8 | -36.4 | 0 | 0 | 0 | 112.4 | W656 G660 I661 M666 | W656-P658 WeakPolarHBondContact O-CD 3.38Å; P658-G660 PolarHBondContact O-N 3.44Å; P658-I661 PolarHBondContact O-N 3.48Å; P658-M666 HydrophobicContact CB-CE 3.61Å; P658-M666 HydrophobicContact CB-CG 4.38Å; P658-M666 HydrophobicContact CB-SD 4.42Å |
| 659 | H | 82.9 | Confident | 79.3 | Confident | 147 Ų | 147 | 55.3 Ų | 55.3 | 68% | 0.681 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 115.3 | 175.9 | -58.7 | 82.4 | 0 | 0 | 0 | 109.9 | N657 | N657-H659 PolarHBondContact O-N 2.85Å; N657-H659 WeakPolarHBondContact OD1-CB 3.26Å; N657-H659 PolarHBondContact OD1-N 2.93Å; N657-H659 PolarHBondContact OD1-ND1 3.5Å |
| 660 | G | 82.6 | Confident | 78.8 | Confident | 46 Ų | 46 | 53 Ų | 53 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | -5.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F189 P658 E662 | F189-G660 WeakPolarHBondContact CD1-O 3.29Å; P658-G660 PolarHBondContact O-N 3.44Å; G660-E662 PolarHBondContact O-N 2.86Å |
| 661 | I | 91.8 | Very high | 78.3 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | trans | -74.2 | 124.6 | 168.3 | -63.7 | -180 | 0 | 0 | 0 | 108.1 | L188 F648 W656 P658 F664 | L188-I661 WeakPolarHBondContact O-CA 3.15Å; F648-I661 HydrophobicContact CD2-CD1 3.42Å; F648-I661 VanDerWaalsContact CD2-CD1 3.42Å; F648-I661 HydrophobicContact CE2-CD1 3.38Å; W656-I661 HydrophobicContact CB-CD1 4.33Å; P658-I661 PolarHBondContact O-N 3.48Å; I661-F664 HydrophobicContact CG2-CE2 4.4Å; I661-F664 HydrophobicContact CG2-CZ 4.3Å | ||
| 662 | E | 93.2 | Very high | 77.7 | Confident | 119 Ų | 119 | 55.6 Ų | 55.6 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | trans | -111.6 | -17.7 | -177.1 | -61.2 | -168 | 178.3 | 0 | 0 | 113.1 | L188 K191 G660 F664 | L188-E662 PolarHBondContact O-N 3.06Å; K191-E662 HydrophobicContact CB-CB 4.24Å; G660-E662 PolarHBondContact O-N 2.86Å; E662-F664 PolarHBondContact O-N 3.18Å | ||
| 663 | L | 93.4 | Very high | 77.3 | Confident | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -67.1 | -37 | -171.1 | -176.4 | 62.2 | 0 | 0 | 0 | 114.3 | Q187 L188 I640 P641 W644 | Q187-L663 HydrophobicContact CG-CD1 4.19Å; Q187-L663 HydrophobicContact CG-CD2 3.9Å; L188-L663 HydrophobicContact CD2-CD2 4.45Å; L188-L663 PolarHBondContact O-N 3.4Å; I640-L663 HydrophobicContact CG2-CD2 4.47Å; P641-L663 HydrophobicContact CB-CG 4.18Å; P641-L663 HydrophobicContact CG-CD1 4.03Å; P641-L663 HydrophobicContact CG-CG 4.2Å; W644-L663 HydrophobicContact CB-CD2 3.55Å; W644-L663 HydrophobicContact CG-CD2 3.73Å |
| 664 | F | 88.5 | Confident | 77.2 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -146.4 | 153.9 | -179.4 | 51.1 | -99.4 | 0 | 0 | 0 | 111.6 | L188 P641 W644 F648 I661 E662 M666 | L188-F664 HydrophobicContact CD2-CE1 3.88Å; L188-F664 HydrophobicContact CD2-CZ 4.21Å; P641-F664 HydrophobicContact CB-CB 4.28Å; P641-F664 HydrophobicContact CB-CD1 4.38Å; P641-F664 WeakPolarHBondContact O-CD1 3.42Å; W644-F664 HydrophobicContact CB-CE1 3.88Å; F648-F664 HydrophobicContact CB-CZ 4.04Å; F648-F664 HydrophobicContact CG-CZ 4.34Å; I661-F664 HydrophobicContact CG2-CE2 4.4Å; I661-F664 HydrophobicContact CG2-CZ 4.3Å; E662-F664 PolarHBondContact O-N 3.18Å; F664-M666 HydrophobicContact CD2-SD 4.29Å; F664-M666 HydrophobicContact CE2-SD 3.92Å |
| 665 | S | 78.3 | Confident | 76.7 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 47% | 0.469 | 39% | 0.387 | S | S | . | . | trans | -76.9 | 138 | 172.1 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | D667 S668 | S665-D667 PolarHBondContact O-N 3.11Å; S665-D667 PolarHBondContact OG-N 3.02Å; S665-S668 WeakPolarHBondContact CB-OG 3.34Å; S665-S668 WeakPolarHBondContact O-CB 3.42Å; S665-S668 PolarHBondContact O-N 3.33Å; S665-S668 VanDerWaalsContact O-N 3.16Å; S665-S668 PolarHBondContact O-OG 2.96Å | ||
| 666 | M | 66.1 | Low | 75.9 | Confident | 83 Ų | 83 | 67.9 Ų | 67.9 | 41% | 0.409 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -68.1 | -14 | 177.9 | -54.4 | -57.4 | -83.4 | 0 | 0 | 113 | F648 P658 F664 S668 | F648-M666 HydrophobicContact CD1-CE 4.2Å; F648-M666 HydrophobicContact CE1-CE 3.4Å; F648-M666 HydrophobicContact CE2-CE 3.8Å; F648-M666 HydrophobicContact CZ-CE 3.18Å; P658-M666 HydrophobicContact CB-CE 3.61Å; P658-M666 HydrophobicContact CB-CG 4.38Å; P658-M666 HydrophobicContact CB-SD 4.42Å; F664-M666 HydrophobicContact CD2-SD 4.29Å; F664-M666 HydrophobicContact CE2-SD 3.92Å; M666-S668 VanDerWaalsContact C-N 3.29Å |
| 667 | D | 50.5 | Low | 74.9 | Confident | 156 Ų | 156 | 72.1 Ų | 72.1 | 83% | 0.834 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -84.6 | -0.6 | 176.2 | -62.7 | -30.8 | 0 | 0 | 0 | 113.1 | S665 | S665-D667 PolarHBondContact O-N 3.11Å; S665-D667 PolarHBondContact OG-N 3.02Å |
| 668 | S | 37.8 | Very low | 74 | Confident | 51 Ų | 51 | 73.1 Ų | 73.1 | 36% | 0.357 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -93.1 | 7.4 | -177.7 | -22.9 | 0 | 0 | 0 | 0 | 113.6 | S665 M666 | S665-S668 WeakPolarHBondContact CB-OG 3.34Å; S665-S668 WeakPolarHBondContact O-CB 3.42Å; S665-S668 PolarHBondContact O-N 3.33Å; S665-S668 VanDerWaalsContact O-N 3.16Å; S665-S668 PolarHBondContact O-OG 2.96Å; M666-S668 VanDerWaalsContact C-N 3.29Å |
| 669 | G | 36.7 | Very low | 72.9 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 81% | 0.814 | 45% | 0.449 | S | S | * | . | trans | -88.9 | 0 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N391 | N391-G669 WeakPolarHBondContact CA-OXT 3.39Å; N391-G669 WeakPolarHBondContact CB-OXT 3.49Å; N391-G669 PolarHBondContact ND2-OXT 3.07Å |
Retrieved 669 of 669 residues in 309.4 ms
(Link to these results)