| 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 | 61.2 | Low | 85.3 | Confident | 147 Ų | 147 | 53.9 Ų | 53.9 | 72% | 0.724 | 32% | 0.322 | S | S | * | . | 0 | 132 | 0 | -71.4 | -164.4 | -101 | 0 | 0 | 108 | T5 Q6 L9 | M1-T5 HydrophobicContact CB-CG2 4.46Å; M1-T5 HydrophobicContact CG-CG2 4.33Å; M1-T5 HydrophobicContact SD-CG2 3.84Å; M1-Q6 HydrophobicContact CB-CG 3.91Å; M1-L9 HydrophobicContact CE-CD1 3.66Å; M1-L9 HydrophobicContact SD-CD1 3.26Å; M1-L9 WeakPolarHBondContact SD-CD1 3.26Å | |||
| 2 | D | 79.6 | Confident | 86 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | trans | -68.2 | 156.1 | 171.8 | 55 | -36.6 | 0 | 0 | 0 | 111.5 | P4 T5 Q6 K42 | D2-P4 WeakPolarHBondContact OD2-CG 3.33Å; D2-T5 VanDerWaalsContact CG-OG1 3.31Å; D2-T5 PolarHBondContact O-N 3.12Å; D2-T5 WeakPolarHBondContact OD1-CB 3.34Å; D2-T5 PolarHBondContact OD1-OG1 3.25Å; D2-T5 PolarHBondContact OD2-OG1 3.47Å; D2-Q6 PolarHBondContact O-N 2.96Å; D2-Q6 VanDerWaalsContact O-N 3.11Å; D2-K42 IonicContact OD2-NZ 3.74Å; D2-K42 PolarHBondContact OD2-NZ 2.82Å | ||
| 3 | A | 83 | Confident | 86.4 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 63% | 0.628 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -51.8 | -45.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q6 A7 | A3-Q6 PolarHBondContact O-N 3.5Å; A3-A7 PolarHBondContact O-N 3.33Å |
| 4 | P | 85.2 | Confident | 86.7 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 178.9 | 25 | -34.6 | 0 | 0 | 0 | 112.8 | D2 Q6 A7 I8 K42 | D2-P4 WeakPolarHBondContact OD2-CG 3.33Å; P4-Q6 VanDerWaalsContact C-N 3.3Å; P4-Q6 PolarHBondContact O-N 3.03Å; P4-A7 WeakPolarHBondContact O-CB 3.18Å; P4-A7 PolarHBondContact O-N 3.22Å; P4-A7 VanDerWaalsContact O-N 3.14Å; P4-I8 WeakPolarHBondContact O-CG1 3.43Å; P4-I8 PolarHBondContact O-N 2.59Å; P4-K42 HydrophobicContact CB-CD 3.84Å; P4-K42 HydrophobicContact CG-CD 3.84Å |
| 5 | T | 87.3 | Confident | 86.9 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | M1 D2 I8 L9 I46 | M1-T5 HydrophobicContact CB-CG2 4.46Å; M1-T5 HydrophobicContact CG-CG2 4.33Å; M1-T5 HydrophobicContact SD-CG2 3.84Å; D2-T5 VanDerWaalsContact CG-OG1 3.31Å; D2-T5 PolarHBondContact O-N 3.12Å; D2-T5 WeakPolarHBondContact OD1-CB 3.34Å; D2-T5 PolarHBondContact OD1-OG1 3.25Å; D2-T5 PolarHBondContact OD2-OG1 3.47Å; T5-I8 PolarHBondContact O-N 3.18Å; T5-L9 HydrophobicContact CG2-CD1 4.33Å; T5-L9 WeakPolarHBondContact O-CB 3.44Å; T5-L9 WeakPolarHBondContact O-CG 3.47Å; T5-L9 PolarHBondContact O-N 3.41Å; T5-I46 HydrophobicContact CG2-CD1 4.45Å; T5-I46 HydrophobicContact CG2-CG1 4.41Å |
| 6 | Q | 88.5 | Confident | 87 | Confident | 113 Ų | 113 | 46.4 Ų | 46.4 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 173.2 | -70.5 | -176.9 | -22.5 | 0 | 0 | 112.3 | M1 D2 A3 P4 S10 | M1-Q6 HydrophobicContact CB-CG 3.91Å; D2-Q6 PolarHBondContact O-N 2.96Å; D2-Q6 VanDerWaalsContact O-N 3.11Å; A3-Q6 PolarHBondContact O-N 3.5Å; P4-Q6 VanDerWaalsContact C-N 3.3Å; P4-Q6 PolarHBondContact O-N 3.03Å; Q6-S10 VanDerWaalsContact O-CB 3.31Å; Q6-S10 WeakPolarHBondContact O-CB 3.21Å; Q6-S10 PolarHBondContact O-N 3.02Å |
| 7 | A | 89.4 | Confident | 86.9 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A3 P4 S10 A11 L33 | A3-A7 PolarHBondContact O-N 3.33Å; P4-A7 WeakPolarHBondContact O-CB 3.18Å; P4-A7 PolarHBondContact O-N 3.22Å; P4-A7 VanDerWaalsContact O-N 3.14Å; A7-S10 PolarHBondContact O-N 3Å; A7-A11 WeakPolarHBondContact O-CB 3.3Å; A7-A11 PolarHBondContact O-N 2.79Å; A7-L33 HydrophobicContact CB-CD1 4.36Å |
| 8 | I | 91.8 | Very high | 86.7 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 176.9 | -64 | 166.4 | 0 | 0 | 0 | 110.6 | P4 T5 S10 A11 F12 L30 L33 Y39 K42 V43 I46 | P4-I8 WeakPolarHBondContact O-CG1 3.43Å; P4-I8 PolarHBondContact O-N 2.59Å; T5-I8 PolarHBondContact O-N 3.18Å; I8-S10 VanDerWaalsContact C-N 3.32Å; I8-S10 PolarHBondContact O-N 3.08Å; I8-A11 PolarHBondContact O-N 3.21Å; I8-F12 HydrophobicContact CG2-CD2 3.8Å; I8-F12 HydrophobicContact CG2-CE1 4.19Å; I8-F12 HydrophobicContact CG2-CE2 3.39Å; I8-F12 HydrophobicContact CG2-CG 4.36Å; I8-F12 HydrophobicContact CG2-CZ 3.61Å; I8-F12 WeakPolarHBondContact O-CB 3.36Å; I8-F12 WeakPolarHBondContact O-CG 3.47Å; I8-F12 PolarHBondContact O-N 3.48Å; I8-L30 HydrophobicContact CG2-CD2 4.21Å; I8-L33 HydrophobicContact CG1-CD1 3.89Å; I8-Y39 HydrophobicContact CD1-CD2 4.1Å; I8-Y39 HydrophobicContact CD1-CE2 4.19Å; I8-Y39 HydrophobicContact CG1-CE2 4.43Å; I8-K42 HydrophobicContact CD1-CB 3.83Å; I8-K42 HydrophobicContact CD1-CD 4.16Å; I8-V43 HydrophobicContact CD1-CG2 4.42Å; I8-I46 HydrophobicContact CB-CD1 4.06Å; I8-I46 HydrophobicContact CG2-CD1 3.49Å; I8-I46 VanDerWaalsContact CG2-CD1 3.49Å |
| 9 | L | 90.7 | Very high | 86.2 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 178.6 | -74.8 | 172.8 | 0 | 0 | 0 | 113 | M1 T5 S13 I46 L52 | M1-L9 HydrophobicContact CE-CD1 3.66Å; M1-L9 HydrophobicContact SD-CD1 3.26Å; M1-L9 WeakPolarHBondContact SD-CD1 3.26Å; T5-L9 HydrophobicContact CG2-CD1 4.33Å; T5-L9 WeakPolarHBondContact O-CB 3.44Å; T5-L9 WeakPolarHBondContact O-CG 3.47Å; T5-L9 PolarHBondContact O-N 3.41Å; L9-S13 WeakPolarHBondContact O-CB 3.18Å; L9-S13 PolarHBondContact O-N 3.01Å; L9-S13 PolarHBondContact O-OG 2.91Å; L9-I46 HydrophobicContact CD2-CD1 4.01Å; L9-I46 HydrophobicContact CD2-CG1 4.15Å; L9-I46 HydrophobicContact CD2-CG2 3.94Å; L9-I46 HydrophobicContact CG-CD1 4.05Å; L9-I46 HydrophobicContact CG-CG1 4.42Å; L9-L52 HydrophobicContact CD2-CD1 3.97Å |
| 10 | S | 90.6 | Very high | 85.7 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 47% | 0.469 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 174.6 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | Q6 A7 I8 S13 I14 | Q6-S10 VanDerWaalsContact O-CB 3.31Å; Q6-S10 WeakPolarHBondContact O-CB 3.21Å; Q6-S10 PolarHBondContact O-N 3.02Å; A7-S10 PolarHBondContact O-N 3Å; I8-S10 VanDerWaalsContact C-N 3.32Å; I8-S10 PolarHBondContact O-N 3.08Å; S10-S13 PolarHBondContact O-N 2.93Å; S10-I14 WeakPolarHBondContact O-CG1 3.4Å; S10-I14 PolarHBondContact O-N 3.39Å |
| 11 | A | 91.3 | Very high | 85.6 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.033 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A7 I8 S13 I14 V15 A26 L30 | A7-A11 WeakPolarHBondContact O-CB 3.3Å; A7-A11 PolarHBondContact O-N 2.79Å; I8-A11 PolarHBondContact O-N 3.21Å; A11-S13 VanDerWaalsContact C-N 3.3Å; A11-S13 PolarHBondContact O-N 3.38Å; A11-I14 PolarHBondContact O-N 3.15Å; A11-I14 VanDerWaalsContact O-N 3.1Å; A11-V15 WeakPolarHBondContact O-CG2 3.33Å; A11-V15 PolarHBondContact O-N 3.06Å; A11-A26 HydrophobicContact CB-CB 4.28Å; A11-L30 HydrophobicContact CB-CD1 4.3Å; A11-L30 HydrophobicContact CB-CD2 3.91Å; A11-L30 HydrophobicContact CB-CG 3.87Å |
| 12 | F | 93.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58 | -40.5 | 174.4 | -71.8 | -15.2 | 0 | 0 | 0 | 112.7 | I8 I14 V15 L16 L30 I46 L56 L59 A60 T63 | I8-F12 HydrophobicContact CG2-CD2 3.8Å; I8-F12 HydrophobicContact CG2-CE1 4.19Å; I8-F12 HydrophobicContact CG2-CE2 3.39Å; I8-F12 HydrophobicContact CG2-CG 4.36Å; I8-F12 HydrophobicContact CG2-CZ 3.61Å; I8-F12 WeakPolarHBondContact O-CB 3.36Å; I8-F12 WeakPolarHBondContact O-CG 3.47Å; I8-F12 PolarHBondContact O-N 3.48Å; F12-I14 VanDerWaalsContact C-N 3.33Å; F12-I14 PolarHBondContact O-N 3.48Å; F12-V15 PolarHBondContact O-N 3.35Å; F12-L16 WeakPolarHBondContact O-CB 3.22Å; F12-L16 WeakPolarHBondContact O-CG 3.36Å; F12-L16 PolarHBondContact O-N 3.37Å; F12-L30 HydrophobicContact CD1-CD1 3.82Å; F12-L30 HydrophobicContact CD1-CD2 4.03Å; F12-L30 HydrophobicContact CE1-CD1 3.73Å; F12-L30 HydrophobicContact CE1-CD2 3.66Å; F12-L30 HydrophobicContact CE1-CG 4.37Å; F12-L30 HydrophobicContact CZ-CD2 4.38Å; F12-I46 HydrophobicContact CD2-CG2 4.5Å; F12-I46 HydrophobicContact CE2-CD1 4.18Å; F12-I46 HydrophobicContact CE2-CG2 4.38Å; F12-L56 HydrophobicContact CB-CD2 3.69Å; F12-L59 HydrophobicContact CB-CD2 3.83Å; F12-L59 HydrophobicContact CD1-CD2 3.6Å; F12-L59 HydrophobicContact CD1-CG 3.91Å; F12-L59 HydrophobicContact CE1-CD2 4.34Å; F12-L59 HydrophobicContact CE1-CG 4.16Å; F12-L59 HydrophobicContact CG-CD2 3.83Å; F12-L59 HydrophobicContact CG-CG 4.25Å; F12-A60 HydrophobicContact CD2-CB 4.49Å; F12-A60 HydrophobicContact CE2-CB 3.71Å; F12-A60 HydrophobicContact CZ-CB 4.33Å; F12-T63 HydrophobicContact CE1-CG2 4.37Å; F12-T63 HydrophobicContact CZ-CG2 4.22Å |
| 13 | S | 90.9 | Very high | 87.3 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | L9 S10 A11 G17 H18 G19 | L9-S13 WeakPolarHBondContact O-CB 3.18Å; L9-S13 PolarHBondContact O-N 3.01Å; L9-S13 PolarHBondContact O-OG 2.91Å; S10-S13 PolarHBondContact O-N 2.93Å; A11-S13 VanDerWaalsContact C-N 3.3Å; A11-S13 PolarHBondContact O-N 3.38Å; S13-G17 PolarHBondContact O-N 2.96Å; S13-H18 CarbonylContact O-C 3.58Å; S13-H18 WeakPolarHBondContact O-CA 3.29Å; S13-H18 PolarHBondContact O-N 3.19Å; S13-G19 PolarHBondContact O-N 3.33Å |
| 14 | I | 91.1 | Very high | 87.6 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 175.3 | -66 | 163.4 | 0 | 0 | 0 | 110.7 | S10 A11 F12 L16 G17 A26 | S10-I14 WeakPolarHBondContact O-CG1 3.4Å; S10-I14 PolarHBondContact O-N 3.39Å; A11-I14 PolarHBondContact O-N 3.15Å; A11-I14 VanDerWaalsContact O-N 3.1Å; F12-I14 VanDerWaalsContact C-N 3.33Å; F12-I14 PolarHBondContact O-N 3.48Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.01Å; I14-G17 PolarHBondContact O-N 2.95Å; I14-A26 HydrophobicContact CB-CB 3.91Å; I14-A26 HydrophobicContact CD1-CB 4.46Å; I14-A26 HydrophobicContact CG2-CB 3.74Å |
| 15 | V | 89.9 | Confident | 87.8 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 179.3 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | A11 F12 G17 A26 E27 L30 L59 | A11-V15 WeakPolarHBondContact O-CG2 3.33Å; A11-V15 PolarHBondContact O-N 3.06Å; F12-V15 PolarHBondContact O-N 3.35Å; V15-G17 PolarHBondContact O-N 2.96Å; V15-A26 HydrophobicContact CG2-CB 3.94Å; V15-E27 HydrophobicContact CG2-CG 4.1Å; V15-L30 HydrophobicContact CG2-CD1 4.46Å; V15-L59 HydrophobicContact CB-CD2 4.19Å; V15-L59 HydrophobicContact CG1-CD2 4.01Å |
| 16 | L | 88.2 | Confident | 87.9 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -1.5 | 175.4 | -66 | 174.6 | 0 | 0 | 0 | 113.9 | F12 I14 H18 E55 L56 L59 | F12-L16 WeakPolarHBondContact O-CB 3.22Å; F12-L16 WeakPolarHBondContact O-CG 3.36Å; F12-L16 PolarHBondContact O-N 3.37Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.01Å; L16-H18 PolarHBondContact O-N 3.36Å; L16-E55 HydrophobicContact CD1-CB 3.97Å; L16-L56 HydrophobicContact CD1-CD2 3.69Å; L16-L56 HydrophobicContact CD1-CG 4.03Å; L16-L59 HydrophobicContact CD1-CD2 4.26Å; L16-L59 HydrophobicContact CD2-CD2 4.1Å; L16-L59 HydrophobicContact CG-CD2 3.85Å |
| 17 | G | 85.6 | Confident | 88 | Confident | 63 Ų | 63 | 59 Ų | 59 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 6.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S13 I14 V15 | S13-G17 PolarHBondContact O-N 2.96Å; I14-G17 PolarHBondContact O-N 2.95Å; V15-G17 PolarHBondContact O-N 2.96Å |
| 18 | H | 83.5 | Confident | 88 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 60% | 0.597 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -79.1 | -24.2 | 174.7 | -62.5 | 149.9 | 0 | 0 | 0 | 112.8 | S13 L16 | S13-H18 CarbonylContact O-C 3.58Å; S13-H18 WeakPolarHBondContact O-CA 3.29Å; S13-H18 PolarHBondContact O-N 3.19Å; L16-H18 PolarHBondContact O-N 3.36Å |
| 19 | G | 77.5 | Confident | 87.9 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 26% | 0.258 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -104.8 | 147.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S13 G21 | S13-G19 PolarHBondContact O-N 3.33Å; G19-G21 PolarHBondContact O-N 2.74Å |
| 20 | I | 75.9 | Confident | 87.9 | Confident | 183 Ų | 183 | 65.8 Ų | 65.8 | 94% | 0.938 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -77.9 | 115 | 170.9 | -57 | 171 | 0 | 0 | 0 | 107.9 | ||
| 21 | G | 83.3 | Confident | 87.9 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 176.4 | 172.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G19 | G19-G21 PolarHBondContact O-N 2.74Š|
| 22 | D | 86.5 | Confident | 87.8 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | trans | -84.7 | 121.7 | 172.1 | -179.5 | -4 | 0 | 0 | 0 | 109.6 | Q24 A25 A26 | D22-Q24 VanDerWaalsContact C-N 3.32Å; D22-Q24 PolarHBondContact O-N 3.38Å; D22-Q24 PolarHBondContact OD1-N 2.91Å; D22-A25 HydrophobicContact CB-CB 3.89Å; D22-A25 PolarHBondContact O-N 2.73Å; D22-A26 PolarHBondContact O-N 2.73Å | ||
| 23 | R | 89 | Confident | 87.7 | Confident | 149 Ų | 149 | 71 Ų | 71 | 56% | 0.562 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.8 | -39.9 | 179.7 | 179.6 | 173.9 | 172.8 | 172.2 | 1.8 | 111.9 | A25 A26 E27 | R23-A25 VanDerWaalsContact C-N 3.35Å; R23-A25 PolarHBondContact O-N 3.41Å; R23-A26 PolarHBondContact O-N 2.05Å; R23-E27 WeakPolarHBondContact CG-OE1 3.48Å; R23-E27 IonicContact CZ-OE1 3.85Å; R23-E27 IonicContact NE-OE1 3.92Å; R23-E27 PolarHBondContact NE-OE1 3.31Å; R23-E27 IonicContact NH2-OE1 3.33Å; R23-E27 WeakPolarHBondContact O-CG 3.5Å; R23-E27 PolarHBondContact O-N 2.79Å |
| 24 | Q | 89.5 | Confident | 87.7 | Confident | 132 Ų | 132 | 71.8 Ų | 71.8 | 62% | 0.617 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 178.7 | -68.5 | -176.1 | -17.2 | 0 | 0 | 111.1 | D22 A26 E27 Q28 | D22-Q24 VanDerWaalsContact C-N 3.32Å; D22-Q24 PolarHBondContact O-N 3.38Å; D22-Q24 PolarHBondContact OD1-N 2.91Å; Q24-A26 VanDerWaalsContact C-N 3.32Å; Q24-A26 PolarHBondContact O-N 3.2Å; Q24-E27 PolarHBondContact O-N 2.89Å; Q24-Q28 WeakPolarHBondContact O-CB 3.46Å; Q24-Q28 VanDerWaalsContact O-CG 3.3Å; Q24-Q28 WeakPolarHBondContact O-CG 3.31Å; Q24-Q28 PolarHBondContact O-N 2.95Å |
| 25 | A | 89.5 | Confident | 87.5 | Confident | 47 Ų | 47 | 75 Ų | 75 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D22 R23 S29 | D22-A25 HydrophobicContact CB-CB 3.89Å; D22-A25 PolarHBondContact O-N 2.73Å; R23-A25 VanDerWaalsContact C-N 3.35Å; R23-A25 PolarHBondContact O-N 3.41Å; A25-S29 WeakPolarHBondContact O-CB 3.45Å; A25-S29 PolarHBondContact O-N 3.08Å |
| 26 | A | 89.3 | Confident | 87.5 | Confident | 6 Ų | 6 | 77.4 Ų | 77.4 | 5% | 0.05 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A11 I14 V15 D22 R23 Q24 S29 L30 | A11-A26 HydrophobicContact CB-CB 4.28Å; I14-A26 HydrophobicContact CB-CB 3.91Å; I14-A26 HydrophobicContact CD1-CB 4.46Å; I14-A26 HydrophobicContact CG2-CB 3.74Å; V15-A26 HydrophobicContact CG2-CB 3.94Å; D22-A26 PolarHBondContact O-N 2.73Å; R23-A26 PolarHBondContact O-N 2.05Å; Q24-A26 VanDerWaalsContact C-N 3.32Å; Q24-A26 PolarHBondContact O-N 3.2Å; A26-S29 WeakPolarHBondContact O-CB 3.39Å; A26-S29 PolarHBondContact O-N 3.42Å; A26-L30 WeakPolarHBondContact O-CG 3.45Å; A26-L30 PolarHBondContact O-N 3.1Å |
| 27 | E | 90.3 | Very high | 87.4 | Confident | 79 Ų | 79 | 81.3 Ų | 81.3 | 37% | 0.369 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 174.6 | -72.8 | 169.1 | -175 | 0 | 0 | 111.2 | V15 R23 Q24 S29 L30 T31 | V15-E27 HydrophobicContact CG2-CG 4.1Å; R23-E27 WeakPolarHBondContact CG-OE1 3.48Å; R23-E27 IonicContact CZ-OE1 3.85Å; R23-E27 IonicContact NE-OE1 3.92Å; R23-E27 PolarHBondContact NE-OE1 3.31Å; R23-E27 IonicContact NH2-OE1 3.33Å; R23-E27 WeakPolarHBondContact O-CG 3.5Å; R23-E27 PolarHBondContact O-N 2.79Å; Q24-E27 PolarHBondContact O-N 2.89Å; E27-S29 VanDerWaalsContact C-N 3.28Å; E27-S29 PolarHBondContact O-N 3.49Å; E27-L30 WeakPolarHBondContact O-CB 3.4Å; E27-L30 PolarHBondContact O-N 3.28Å; E27-T31 PolarHBondContact O-N 3Å; E27-T31 PolarHBondContact O-OG1 3.1Å |
| 28 | Q | 90.4 | Very high | 87.6 | Confident | 137 Ų | 137 | 81.5 Ų | 81.5 | 64% | 0.64 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.3 | -38.2 | 174.1 | -73.3 | 174.4 | 3.3 | 0 | 0 | 112.7 | Q24 L30 T31 A32 | Q24-Q28 WeakPolarHBondContact O-CB 3.46Å; Q24-Q28 VanDerWaalsContact O-CG 3.3Å; Q24-Q28 WeakPolarHBondContact O-CG 3.31Å; Q24-Q28 PolarHBondContact O-N 2.95Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-T31 PolarHBondContact O-N 3.35Å; Q28-A32 WeakPolarHBondContact O-CB 3.45Å; Q28-A32 PolarHBondContact O-N 3.37Å |
| 29 | S | 89.9 | Confident | 88 | Confident | 50 Ų | 50 | 75.4 Ų | 75.4 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 175.5 | -174.4 | 0 | 0 | 0 | 0 | 112 | A25 A26 E27 L33 | A25-S29 WeakPolarHBondContact O-CB 3.45Å; A25-S29 PolarHBondContact O-N 3.08Å; A26-S29 WeakPolarHBondContact O-CB 3.39Å; A26-S29 PolarHBondContact O-N 3.42Å; E27-S29 VanDerWaalsContact C-N 3.28Å; E27-S29 PolarHBondContact O-N 3.49Å; S29-L33 WeakPolarHBondContact O-CD1 3.34Å; S29-L33 WeakPolarHBondContact O-CG 3.44Å; S29-L33 PolarHBondContact O-N 2.96Å |
| 30 | L | 91.2 | Very high | 88.8 | Confident | 16 Ų | 16 | 74.2 Ų | 74.2 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 175.6 | -71.3 | 167.4 | 0 | 0 | 0 | 110.6 | I8 A11 F12 V15 A26 E27 Q28 A32 L33 E34 | I8-L30 HydrophobicContact CG2-CD2 4.21Å; A11-L30 HydrophobicContact CB-CD1 4.3Å; A11-L30 HydrophobicContact CB-CD2 3.91Å; A11-L30 HydrophobicContact CB-CG 3.87Å; F12-L30 HydrophobicContact CD1-CD1 3.82Å; F12-L30 HydrophobicContact CD1-CD2 4.03Å; F12-L30 HydrophobicContact CE1-CD1 3.73Å; F12-L30 HydrophobicContact CE1-CD2 3.66Å; F12-L30 HydrophobicContact CE1-CG 4.37Å; F12-L30 HydrophobicContact CZ-CD2 4.38Å; V15-L30 HydrophobicContact CG2-CD1 4.46Å; A26-L30 WeakPolarHBondContact O-CG 3.45Å; A26-L30 PolarHBondContact O-N 3.1Å; E27-L30 WeakPolarHBondContact O-CB 3.4Å; E27-L30 PolarHBondContact O-N 3.28Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.47Å; L30-L33 WeakPolarHBondContact O-CB 3.36Å; L30-L33 PolarHBondContact O-N 3.1Å; L30-E34 PolarHBondContact O-N 2.91Å |
| 31 | T | 89.7 | Confident | 89.6 | Confident | 81 Ų | 81 | 67.1 Ų | 67.1 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 175.8 | -51.7 | 0 | 0 | 0 | 0 | 112.1 | E27 Q28 L33 E34 | E27-T31 PolarHBondContact O-N 3Å; E27-T31 PolarHBondContact O-OG1 3.1Å; Q28-T31 PolarHBondContact O-N 3.35Å; T31-L33 PolarHBondContact O-N 3.3Å; T31-E34 WeakPolarHBondContact O-CB 3.43Å; T31-E34 PolarHBondContact O-N 3.02Å |
| 32 | A | 90 | Very high | 90.1 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.7 | -27.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q28 L30 | Q28-A32 WeakPolarHBondContact O-CB 3.45Å; Q28-A32 PolarHBondContact O-N 3.37Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.47Å |
| 33 | L | 90.7 | Very high | 90.5 | Very high | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -83.1 | -18.9 | 179.1 | -69.5 | 168.6 | 0 | 0 | 0 | 113 | A7 I8 S29 L30 T31 V35 L36 Y39 | A7-L33 HydrophobicContact CB-CD1 4.36Å; I8-L33 HydrophobicContact CG1-CD1 3.89Å; S29-L33 WeakPolarHBondContact O-CD1 3.34Å; S29-L33 WeakPolarHBondContact O-CG 3.44Å; S29-L33 PolarHBondContact O-N 2.96Å; L30-L33 WeakPolarHBondContact O-CB 3.36Å; L30-L33 PolarHBondContact O-N 3.1Å; T31-L33 PolarHBondContact O-N 3.3Å; L33-V35 PolarHBondContact O-N 3.11Å; L33-V35 VanDerWaalsContact O-N 3.11Å; L33-L36 HydrophobicContact CB-CD1 4.49Å; L33-L36 HydrophobicContact CD2-CD1 3.64Å; L33-L36 WeakPolarHBondContact O-CB 3.32Å; L33-L36 WeakPolarHBondContact O-CG 3.22Å; L33-L36 PolarHBondContact O-N 3.11Å; L33-Y39 HydrophobicContact CB-CD2 3.74Å; L33-Y39 HydrophobicContact CB-CE2 3.76Å; L33-Y39 WeakPolarHBondContact O-CB 3.5Å; L33-Y39 VanDerWaalsContact O-CD2 3.28Å; L33-Y39 WeakPolarHBondContact O-CD2 3.31Å |
| 34 | E | 90.4 | Very high | 90.8 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.7 | 179.3 | -72.8 | 169.7 | -176.9 | 0 | 0 | 113.1 | L30 T31 L36 Y39 Y67 | L30-E34 PolarHBondContact O-N 2.91Å; T31-E34 WeakPolarHBondContact O-CB 3.43Å; T31-E34 PolarHBondContact O-N 3.02Å; E34-L36 PolarHBondContact O-N 2.8Å; E34-Y39 HydrophobicContact CB-CE1 4.48Å; E34-Y39 HydrophobicContact CG-CD1 4.36Å; E34-Y39 HydrophobicContact CG-CE1 3.79Å; E34-Y67 HydrophobicContact CB-CD2 4.49Å; E34-Y67 HydrophobicContact CB-CE2 4.42Å; E34-Y67 HydrophobicContact CG-CD2 4.31Å |
| 35 | V | 88.2 | Confident | 91 | Very high | 103 Ų | 103 | 52.2 Ų | 52.2 | 62% | 0.624 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.1 | 179.5 | -170 | 0 | 0 | 0 | 0 | 112.6 | L33 | L33-V35 PolarHBondContact O-N 3.11Å; L33-V35 VanDerWaalsContact O-N 3.11Å |
| 36 | L | 88.8 | Confident | 91.2 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -74.2 | 131 | 179.1 | -59.4 | 172.4 | 0 | 0 | 0 | 110.8 | L33 E34 D38 Y39 | L33-L36 HydrophobicContact CB-CD1 4.49Å; L33-L36 HydrophobicContact CD2-CD1 3.64Å; L33-L36 WeakPolarHBondContact O-CB 3.32Å; L33-L36 WeakPolarHBondContact O-CG 3.22Å; L33-L36 PolarHBondContact O-N 3.11Å; E34-L36 PolarHBondContact O-N 2.8Å; L36-D38 PolarHBondContact O-N 3.21Å; L36-D38 VanDerWaalsContact O-N 3.15Å; L36-Y39 WeakPolarHBondContact O-CB 3.26Å; L36-Y39 PolarHBondContact O-N 3.44Å |
| 37 | E | 85.9 | Confident | 91.5 | Very high | 142 Ų | 142 | 49.9 Ų | 49.9 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.6 | 179.6 | -170 | -174.9 | 169.6 | 0 | 0 | 113 | ||
| 38 | D | 89.3 | Confident | 91.7 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2.1 | 179.8 | 68.8 | -11.5 | 0 | 0 | 0 | 114 | L36 I41 K42 | L36-D38 PolarHBondContact O-N 3.21Å; L36-D38 VanDerWaalsContact O-N 3.15Å; D38-I41 PolarHBondContact O-N 2.78Å; D38-K42 WeakPolarHBondContact O-CG 3.43Å; D38-K42 PolarHBondContact O-N 2.63Å; D38-K42 VanDerWaalsContact OD1-CE 3.28Å; D38-K42 WeakPolarHBondContact OD1-CE 3.28Å; D38-K42 IonicContact OD1-NZ 2.89Å; D38-K42 WeakPolarHBondContact OD2-CE 3.42Å; D38-K42 IonicContact OD2-NZ 2.84Å; D38-K42 PolarHBondContact OD2-NZ 3.22Å |
| 39 | Y | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -52 | -55 | 175.9 | 177.3 | -98.3 | 0 | 0 | 0 | 113.2 | I8 L33 E34 L36 I41 K42 V43 T63 Y67 | I8-Y39 HydrophobicContact CD1-CD2 4.1Å; I8-Y39 HydrophobicContact CD1-CE2 4.19Å; I8-Y39 HydrophobicContact CG1-CE2 4.43Å; L33-Y39 HydrophobicContact CB-CD2 3.74Å; L33-Y39 HydrophobicContact CB-CE2 3.76Å; L33-Y39 WeakPolarHBondContact O-CB 3.5Å; L33-Y39 VanDerWaalsContact O-CD2 3.28Å; L33-Y39 WeakPolarHBondContact O-CD2 3.31Å; E34-Y39 HydrophobicContact CB-CE1 4.48Å; E34-Y39 HydrophobicContact CG-CD1 4.36Å; E34-Y39 HydrophobicContact CG-CE1 3.79Å; L36-Y39 WeakPolarHBondContact O-CB 3.26Å; L36-Y39 PolarHBondContact O-N 3.44Å; Y39-I41 VanDerWaalsContact C-N 3.26Å; Y39-I41 PolarHBondContact O-N 3.19Å; Y39-K42 WeakPolarHBondContact O-CB 3.46Å; Y39-K42 PolarHBondContact O-N 2.79Å; Y39-V43 HydrophobicContact CD1-CG2 4.21Å; Y39-V43 HydrophobicContact CD2-CG2 4.35Å; Y39-V43 HydrophobicContact CE1-CG2 3.81Å; Y39-V43 HydrophobicContact CE2-CG2 3.99Å; Y39-V43 HydrophobicContact CG-CG2 4.47Å; Y39-V43 WeakPolarHBondContact O-CG2 3.4Å; Y39-V43 PolarHBondContact O-N 2.89Å; Y39-T63 VanDerWaalsContact OH-CG2 3.27Å; Y39-T63 WeakPolarHBondContact OH-CG2 3.3Å; Y39-Y67 AromaticContact CD1-CD2 3.73Å; Y39-Y67 HydrophobicContact CD1-CD2 3.73Å; Y39-Y67 AromaticContact CD1-CE2 3.78Å; Y39-Y67 HydrophobicContact CD1-CE2 3.78Å; Y39-Y67 HydrophobicContact CD1-CG 4.43Å; Y39-Y67 AromaticContact CE1-CD2 3.76Å; Y39-Y67 HydrophobicContact CE1-CD2 3.76Å; Y39-Y67 HydrophobicContact CE1-CE2 4.27Å; Y39-Y67 HydrophobicContact CE1-CG 4.36Å |
| 40 | P | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -30.5 | -175.3 | 28.1 | -36.9 | 0 | 0 | 0 | 112.2 | V43 A44 L64 Y67 T85 A89 I93 | P40-V43 PolarHBondContact O-N 2.84Å; P40-A44 VanDerWaalsContact O-CB 3.25Å; P40-A44 WeakPolarHBondContact O-CB 3.19Å; P40-A44 PolarHBondContact O-N 3.26Å; P40-L64 HydrophobicContact CB-CD1 4.2Å; P40-Y67 HydrophobicContact CB-CD1 3.76Å; P40-Y67 HydrophobicContact CB-CE1 3.42Å; P40-Y67 VanDerWaalsContact CB-CE1 3.42Å; P40-Y67 HydrophobicContact CG-CD1 4.45Å; P40-Y67 HydrophobicContact CG-CE1 3.62Å; P40-T85 HydrophobicContact CG-CG2 4.31Å; P40-A89 HydrophobicContact CG-CB 4.39Å; P40-I93 HydrophobicContact CB-CD1 3.82Å; P40-I93 HydrophobicContact CG-CD1 4.4Å |
| 41 | I | 93.5 | Very high | 91.8 | Very high | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 173.2 | -60.7 | 171.5 | 0 | 0 | 0 | 110.5 | D38 Y39 A44 N45 A89 L92 | D38-I41 PolarHBondContact O-N 2.78Å; Y39-I41 VanDerWaalsContact C-N 3.26Å; Y39-I41 PolarHBondContact O-N 3.19Å; I41-A44 PolarHBondContact O-N 3.14Å; I41-N45 WeakPolarHBondContact O-CB 3.34Å; I41-N45 VanDerWaalsContact O-CG 3.22Å; I41-N45 PolarHBondContact O-N 3.13Å; I41-N45 PolarHBondContact O-ND2 3.5Å; I41-N45 VanDerWaalsContact O-ND2 3.1Å; I41-A89 HydrophobicContact CD1-CB 3.84Å; I41-A89 HydrophobicContact CG1-CB 3.75Å; I41-L92 HydrophobicContact CD1-CD1 3.97Å; I41-L92 HydrophobicContact CG1-CD1 4.32Å; I41-L92 HydrophobicContact CG2-CD1 4.32Å |
| 42 | K | 93.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 177.3 | -68.9 | 179.8 | -154.6 | -56.3 | 0 | 111.8 | D2 P4 I8 D38 Y39 A44 N45 I46 | D2-K42 IonicContact OD2-NZ 3.74Å; D2-K42 PolarHBondContact OD2-NZ 2.82Å; P4-K42 HydrophobicContact CB-CD 3.84Å; P4-K42 HydrophobicContact CG-CD 3.84Å; I8-K42 HydrophobicContact CD1-CB 3.83Å; I8-K42 HydrophobicContact CD1-CD 4.16Å; D38-K42 WeakPolarHBondContact O-CG 3.43Å; D38-K42 PolarHBondContact O-N 2.63Å; D38-K42 VanDerWaalsContact OD1-CE 3.28Å; D38-K42 WeakPolarHBondContact OD1-CE 3.28Å; D38-K42 IonicContact OD1-NZ 2.89Å; D38-K42 WeakPolarHBondContact OD2-CE 3.42Å; D38-K42 IonicContact OD2-NZ 2.84Å; D38-K42 PolarHBondContact OD2-NZ 3.22Å; Y39-K42 WeakPolarHBondContact O-CB 3.46Å; Y39-K42 PolarHBondContact O-N 2.79Å; K42-A44 VanDerWaalsContact C-N 3.35Å; K42-N45 PolarHBondContact O-N 3.18Å; K42-I46 WeakPolarHBondContact O-CG1 3.37Å; K42-I46 PolarHBondContact O-N 3.26Å |
| 43 | V | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | I8 Y39 P40 N45 I46 F47 A60 T63 L64 | I8-V43 HydrophobicContact CD1-CG2 4.42Å; Y39-V43 HydrophobicContact CD1-CG2 4.21Å; Y39-V43 HydrophobicContact CD2-CG2 4.35Å; Y39-V43 HydrophobicContact CE1-CG2 3.81Å; Y39-V43 HydrophobicContact CE2-CG2 3.99Å; Y39-V43 HydrophobicContact CG-CG2 4.47Å; Y39-V43 WeakPolarHBondContact O-CG2 3.4Å; Y39-V43 PolarHBondContact O-N 2.89Å; P40-V43 PolarHBondContact O-N 2.84Å; V43-N45 VanDerWaalsContact C-N 3.35Å; V43-N45 PolarHBondContact O-N 3.33Å; V43-I46 WeakPolarHBondContact O-CB 3.35Å; V43-I46 PolarHBondContact O-N 2.63Å; V43-F47 PolarHBondContact O-N 3.01Å; V43-A60 HydrophobicContact CG1-CB 4.1Å; V43-A60 WeakPolarHBondContact CG1-O 3.34Å; V43-T63 HydrophobicContact CG1-CG2 4.36Å; V43-L64 HydrophobicContact CG1-CB 3.89Å |
| 44 | A | 95 | Very high | 92.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P40 I41 K42 I46 F47 L48 L64 I93 M97 | P40-A44 VanDerWaalsContact O-CB 3.25Å; P40-A44 WeakPolarHBondContact O-CB 3.19Å; P40-A44 PolarHBondContact O-N 3.26Å; I41-A44 PolarHBondContact O-N 3.14Å; K42-A44 VanDerWaalsContact C-N 3.35Å; A44-I46 VanDerWaalsContact C-N 3.34Å; A44-I46 PolarHBondContact O-N 2.76Å; A44-F47 WeakPolarHBondContact O-CB 3.46Å; A44-F47 PolarHBondContact O-N 3.17Å; A44-L48 WeakPolarHBondContact O-CB 3.47Å; A44-L48 VanDerWaalsContact O-CG 3.32Å; A44-L48 WeakPolarHBondContact O-CG 3.48Å; A44-L48 PolarHBondContact O-N 3.37Å; A44-L64 HydrophobicContact CB-CD2 3.93Å; A44-I93 HydrophobicContact CB-CG1 4.21Å; A44-M97 HydrophobicContact CB-CE 4.34Å |
| 45 | N | 94.6 | Very high | 92.2 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 176 | -76 | -34.8 | 0 | 0 | 0 | 113 | I41 K42 V43 N49 | I41-N45 WeakPolarHBondContact O-CB 3.34Å; I41-N45 VanDerWaalsContact O-CG 3.22Å; I41-N45 PolarHBondContact O-N 3.13Å; I41-N45 PolarHBondContact O-ND2 3.5Å; I41-N45 VanDerWaalsContact O-ND2 3.1Å; K42-N45 PolarHBondContact O-N 3.18Å; V43-N45 VanDerWaalsContact C-N 3.35Å; V43-N45 PolarHBondContact O-N 3.33Å; N45-N49 WeakPolarHBondContact O-CB 3.5Å; N45-N49 PolarHBondContact O-N 3.44Å; N45-N49 VanDerWaalsContact O-N 3.15Å |
| 46 | I | 94.5 | Very high | 92.4 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 172.7 | -67.4 | 167.9 | 0 | 0 | 0 | 109.7 | T5 I8 L9 F12 K42 V43 A44 L48 N49 L52 A60 | T5-I46 HydrophobicContact CG2-CD1 4.45Å; T5-I46 HydrophobicContact CG2-CG1 4.41Å; I8-I46 HydrophobicContact CB-CD1 4.06Å; I8-I46 HydrophobicContact CG2-CD1 3.49Å; I8-I46 VanDerWaalsContact CG2-CD1 3.49Å; L9-I46 HydrophobicContact CD2-CD1 4.01Å; L9-I46 HydrophobicContact CD2-CG1 4.15Å; L9-I46 HydrophobicContact CD2-CG2 3.94Å; L9-I46 HydrophobicContact CG-CD1 4.05Å; L9-I46 HydrophobicContact CG-CG1 4.42Å; F12-I46 HydrophobicContact CD2-CG2 4.5Å; F12-I46 HydrophobicContact CE2-CD1 4.18Å; F12-I46 HydrophobicContact CE2-CG2 4.38Å; K42-I46 WeakPolarHBondContact O-CG1 3.37Å; K42-I46 PolarHBondContact O-N 3.26Å; V43-I46 WeakPolarHBondContact O-CB 3.35Å; V43-I46 PolarHBondContact O-N 2.63Å; A44-I46 VanDerWaalsContact C-N 3.34Å; A44-I46 PolarHBondContact O-N 2.76Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.02Å; I46-N49 PolarHBondContact O-N 3.31Å; I46-L52 HydrophobicContact CB-CD1 4.39Å; I46-L52 HydrophobicContact CG2-CD1 3.72Å; I46-A60 HydrophobicContact CB-CB 4Å; I46-A60 HydrophobicContact CG2-CB 3.56Å |
| 47 | F | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -37.9 | 178.5 | -168.7 | -157.9 | 0 | 0 | 0 | 112.3 | V43 A44 R57 A60 L64 M97 L100 I108 T111 A112 | V43-F47 PolarHBondContact O-N 3.01Å; A44-F47 WeakPolarHBondContact O-CB 3.46Å; A44-F47 PolarHBondContact O-N 3.17Å; F47-R57 HydrophobicContact CD2-CB 4.38Å; F47-R57 WeakPolarHBondContact CD2-O 3.44Å; F47-R57 PolarHBondContact O-NE 3.17Å; F47-R57 PolarHBondContact O-NH2 3.31Å; F47-A60 HydrophobicContact CB-CB 4.18Å; F47-L64 HydrophobicContact CD1-CD2 4.41Å; F47-M97 HydrophobicContact CD1-CE 3.82Å; F47-M97 HydrophobicContact CD1-SD 3.88Å; F47-M97 HydrophobicContact CE1-CE 4.29Å; F47-M97 HydrophobicContact CE1-SD 3.78Å; F47-L100 HydrophobicContact CB-CD1 4.39Å; F47-L100 HydrophobicContact CD1-CD1 3.28Å; F47-L100 HydrophobicContact CD2-CD1 4.05Å; F47-L100 HydrophobicContact CE1-CD1 3.35Å; F47-L100 HydrophobicContact CE2-CD1 4.15Å; F47-L100 HydrophobicContact CG-CD1 3.62Å; F47-L100 HydrophobicContact CZ-CD1 3.79Å; F47-I108 HydrophobicContact CD2-CD1 4.13Å; F47-I108 HydrophobicContact CD2-CG2 4.35Å; F47-I108 HydrophobicContact CE2-CB 4.26Å; F47-I108 HydrophobicContact CE2-CD1 3.64Å; F47-I108 HydrophobicContact CE2-CG2 3.66Å; F47-I108 HydrophobicContact CZ-CG2 4.15Å; F47-T111 HydrophobicContact CE1-CG2 4.45Å; F47-T111 HydrophobicContact CZ-CG2 3.97Å; F47-A112 HydrophobicContact CE1-CB 4.29Å; F47-A112 HydrophobicContact CZ-CB 4.26Å |
| 48 | L | 94.4 | Very high | 93.1 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 24% | 0.236 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72 | -22.7 | 176.2 | -74.8 | 165 | 0 | 0 | 0 | 114.8 | A44 I46 E50 G96 Q99 L100 | A44-L48 WeakPolarHBondContact O-CB 3.47Å; A44-L48 VanDerWaalsContact O-CG 3.32Å; A44-L48 WeakPolarHBondContact O-CG 3.48Å; A44-L48 PolarHBondContact O-N 3.37Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.02Å; L48-E50 PolarHBondContact O-N 3.29Å; L48-E50 VanDerWaalsContact O-N 3.14Å; L48-G96 WeakPolarHBondContact CD2-O 3.48Å; L48-Q99 HydrophobicContact CD2-CB 4.38Å; L48-L100 HydrophobicContact CD2-CD1 4.16Å; L48-L100 HydrophobicContact CD2-CD2 3.94Å; L48-L100 HydrophobicContact CD2-CG 3.73Å; L48-L100 HydrophobicContact CG-CD1 4.46Å |
| 49 | N | 93 | Very high | 93.3 | Very high | 53 Ų | 53 | 43 Ų | 43 | 28% | 0.283 | 22% | 0.218 | S | C | . | . | trans | -78.4 | 103.6 | -169.6 | -173 | -6.7 | 0 | 0 | 0 | 113 | N45 I46 Q51 L52 R57 | N45-N49 WeakPolarHBondContact O-CB 3.5Å; N45-N49 PolarHBondContact O-N 3.44Å; N45-N49 VanDerWaalsContact O-N 3.15Å; I46-N49 PolarHBondContact O-N 3.31Å; N49-Q51 PolarHBondContact O-N 3.29Å; N49-Q51 VanDerWaalsContact O-N 3.12Å; N49-Q51 VanDerWaalsContact OD1-CB 3.29Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.48Å; N49-Q51 PolarHBondContact OD1-N 2.98Å; N49-L52 HydrophobicContact CB-CD1 3.96Å; N49-L52 HydrophobicContact CB-CG 4.12Å; N49-L52 PolarHBondContact O-N 3.19Å; N49-R57 VanDerWaalsContact O-CD 3.28Å; N49-R57 WeakPolarHBondContact O-CD 3.45Å; N49-R57 PolarHBondContact O-NE 3.07Å | ||
| 50 | E | 89.8 | Confident | 93.4 | Very high | 153 Ų | 153 | 43 Ų | 43 | 72% | 0.715 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.8 | 177.8 | -62.1 | -173.6 | 165.2 | 0 | 0 | 115.2 | L48 L52 | L48-E50 PolarHBondContact O-N 3.29Å; L48-E50 VanDerWaalsContact O-N 3.14Å; E50-L52 VanDerWaalsContact C-N 3.33Å |
| 51 | Q | 90.7 | Very high | 93.5 | Very high | 180 Ų | 180 | 43 Ų | 43 | 84% | 0.841 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -11.5 | 177.9 | -56.7 | -179.7 | -16.6 | 0 | 0 | 113.2 | N49 | N49-Q51 PolarHBondContact O-N 3.29Å; N49-Q51 VanDerWaalsContact O-N 3.12Å; N49-Q51 VanDerWaalsContact OD1-CB 3.29Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.48Å; N49-Q51 PolarHBondContact OD1-N 2.98Å |
| 52 | L | 91.2 | Very high | 93.5 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 19% | 0.194 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -90.5 | 157.9 | 178.9 | -63 | 178 | 0 | 0 | 0 | 111.5 | L9 I46 N49 E50 R57 | L9-L52 HydrophobicContact CD2-CD1 3.97Å; I46-L52 HydrophobicContact CB-CD1 4.39Å; I46-L52 HydrophobicContact CG2-CD1 3.72Å; N49-L52 HydrophobicContact CB-CD1 3.96Å; N49-L52 HydrophobicContact CB-CG 4.12Å; N49-L52 PolarHBondContact O-N 3.19Å; E50-L52 VanDerWaalsContact C-N 3.33Å; L52-R57 HydrophobicContact CB-CG 4Å |
| 53 | S | 91.8 | Very high | 93.6 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | trans | -64.9 | 150.5 | 176.1 | 87.8 | 0 | 0 | 0 | 0 | 111.2 | E55 L56 R57 | S53-E55 WeakPolarHBondContact CB-OE2 3.48Å; S53-E55 PolarHBondContact O-N 2.83Å; S53-E55 PolarHBondContact OG-OE2 3.24Å; S53-L56 PolarHBondContact O-N 3.25Å; S53-R57 WeakPolarHBondContact O-CG 3.21Å; S53-R57 PolarHBondContact O-N 2.97Å; S53-R57 VanDerWaalsContact O-N 3.11Å | ||
| 54 | V | 92.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 22% | 0.218 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -34.9 | -175.9 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | R57 Q58 H105 I108 | V54-R57 PolarHBondContact O-N 3.33Å; V54-Q58 VanDerWaalsContact O-CB 3.22Å; V54-Q58 WeakPolarHBondContact O-CB 3.41Å; V54-Q58 PolarHBondContact O-N 3.29Å; V54-H105 HydrophobicContact CG1-CB 4.4Å; V54-H105 VanDerWaalsContact CG2-CE1 3.48Å; V54-H105 WeakPolarHBondContact CG2-CE1 3.47Å; V54-I108 HydrophobicContact CG1-CD1 4.43Å; V54-I108 HydrophobicContact CG1-CG1 4.33Å |
| 55 | E | 92.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 48 Ų | 48 | 46% | 0.458 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.2 | -43.2 | -179.5 | -50.8 | 73.7 | -157.8 | 0 | 0 | 111.2 | L16 S53 Q58 L59 | L16-E55 HydrophobicContact CD1-CB 3.97Å; S53-E55 WeakPolarHBondContact CB-OE2 3.48Å; S53-E55 PolarHBondContact O-N 2.83Å; S53-E55 PolarHBondContact OG-OE2 3.24Å; E55-Q58 PolarHBondContact O-N 3.22Å; E55-L59 WeakPolarHBondContact O-CB 3.18Å; E55-L59 PolarHBondContact O-N 3.49Å |
| 56 | L | 93.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 48 Ų | 48 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 175.8 | -76 | 170.9 | 0 | 0 | 0 | 111.6 | F12 L16 S53 A60 | F12-L56 HydrophobicContact CB-CD2 3.69Å; L16-L56 HydrophobicContact CD1-CD2 3.69Å; L16-L56 HydrophobicContact CD1-CG 4.03Å; S53-L56 PolarHBondContact O-N 3.25Å; L56-A60 WeakPolarHBondContact O-CB 3.45Å; L56-A60 PolarHBondContact O-N 2.98Å |
| 57 | R | 95 | Very high | 93.6 | Very high | 8 Ų | 8 | 48 Ų | 48 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 177 | -65.9 | 178.4 | 69.3 | -175.4 | 2 | 111.1 | F47 N49 L52 S53 V54 A60 G61 I108 | F47-R57 HydrophobicContact CD2-CB 4.38Å; F47-R57 WeakPolarHBondContact CD2-O 3.44Å; F47-R57 PolarHBondContact O-NE 3.17Å; F47-R57 PolarHBondContact O-NH2 3.31Å; N49-R57 VanDerWaalsContact O-CD 3.28Å; N49-R57 WeakPolarHBondContact O-CD 3.45Å; N49-R57 PolarHBondContact O-NE 3.07Å; L52-R57 HydrophobicContact CB-CG 4Å; S53-R57 WeakPolarHBondContact O-CG 3.21Å; S53-R57 PolarHBondContact O-N 2.97Å; S53-R57 VanDerWaalsContact O-N 3.11Å; V54-R57 PolarHBondContact O-N 3.33Å; R57-A60 WeakPolarHBondContact O-CB 3.08Å; R57-A60 PolarHBondContact O-N 3.23Å; R57-G61 PolarHBondContact O-N 3.44Å; R57-I108 HydrophobicContact CB-CD1 3.57Å |
| 58 | Q | 93.5 | Very high | 93.5 | Very high | 43 Ų | 43 | 48 Ų | 48 | 20% | 0.201 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 178 | -177.6 | 61.2 | 22.9 | 0 | 0 | 111.2 | V54 E55 A60 G61 I62 S107 I108 T111 | V54-Q58 VanDerWaalsContact O-CB 3.22Å; V54-Q58 WeakPolarHBondContact O-CB 3.41Å; V54-Q58 PolarHBondContact O-N 3.29Å; E55-Q58 PolarHBondContact O-N 3.22Å; Q58-A60 VanDerWaalsContact C-N 3.32Å; Q58-A60 PolarHBondContact O-N 2.82Å; Q58-G61 PolarHBondContact O-N 3.35Å; Q58-I62 HydrophobicContact CG-CD1 4.18Å; Q58-I62 WeakPolarHBondContact O-CG1 3.31Å; Q58-I62 PolarHBondContact O-N 3.4Å; Q58-S107 PolarHBondContact OE1-O 3.45Å; Q58-S107 VanDerWaalsContact OE1-O 3.11Å; Q58-I108 HydrophobicContact CB-CD1 4.32Å; Q58-T111 PolarHBondContact NE2-OG1 2.89Å; Q58-T111 PolarHBondContact OE1-OG1 3.39Å |
| 59 | L | 94.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 175.1 | -177.3 | 58.5 | 0 | 0 | 0 | 111.2 | F12 V15 L16 E55 G61 I62 T63 | F12-L59 HydrophobicContact CB-CD2 3.83Å; F12-L59 HydrophobicContact CD1-CD2 3.6Å; F12-L59 HydrophobicContact CD1-CG 3.91Å; F12-L59 HydrophobicContact CE1-CD2 4.34Å; F12-L59 HydrophobicContact CE1-CG 4.16Å; F12-L59 HydrophobicContact CG-CD2 3.83Å; F12-L59 HydrophobicContact CG-CG 4.25Å; V15-L59 HydrophobicContact CB-CD2 4.19Å; V15-L59 HydrophobicContact CG1-CD2 4.01Å; L16-L59 HydrophobicContact CD1-CD2 4.26Å; L16-L59 HydrophobicContact CD2-CD2 4.1Å; L16-L59 HydrophobicContact CG-CD2 3.85Å; E55-L59 WeakPolarHBondContact O-CB 3.18Å; E55-L59 PolarHBondContact O-N 3.49Å; L59-G61 VanDerWaalsContact C-N 3.33Å; L59-G61 PolarHBondContact O-N 2.74Å; L59-I62 PolarHBondContact O-N 2.93Å; L59-T63 WeakPolarHBondContact O-CB 3.4Å; L59-T63 PolarHBondContact O-N 3.38Å; L59-T63 PolarHBondContact O-OG1 2.93Å |
| 60 | A | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F12 V43 I46 F47 L56 R57 Q58 T63 L64 | F12-A60 HydrophobicContact CD2-CB 4.49Å; F12-A60 HydrophobicContact CE2-CB 3.71Å; F12-A60 HydrophobicContact CZ-CB 4.33Å; V43-A60 HydrophobicContact CG1-CB 4.1Å; V43-A60 WeakPolarHBondContact CG1-O 3.34Å; I46-A60 HydrophobicContact CB-CB 4Å; I46-A60 HydrophobicContact CG2-CB 3.56Å; F47-A60 HydrophobicContact CB-CB 4.18Å; L56-A60 WeakPolarHBondContact O-CB 3.45Å; L56-A60 PolarHBondContact O-N 2.98Å; R57-A60 WeakPolarHBondContact O-CB 3.08Å; R57-A60 PolarHBondContact O-N 3.23Å; Q58-A60 VanDerWaalsContact C-N 3.32Å; Q58-A60 PolarHBondContact O-N 2.82Å; A60-T63 PolarHBondContact O-N 3.24Å; A60-L64 WeakPolarHBondContact O-CB 3.44Å; A60-L64 PolarHBondContact O-N 3.44Å |
| 61 | G | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R57 Q58 L59 L64 K65 T111 | R57-G61 PolarHBondContact O-N 3.44Å; Q58-G61 PolarHBondContact O-N 3.35Å; L59-G61 VanDerWaalsContact C-N 3.33Å; L59-G61 PolarHBondContact O-N 2.74Å; G61-L64 PolarHBondContact O-N 3.45Å; G61-K65 PolarHBondContact O-N 3.41Å; G61-T111 VanDerWaalsContact C-CG2 3.47Å |
| 62 | I | 94.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 30.7 Ų | 30.7 | 34% | 0.338 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 176.3 | -65.6 | 166.7 | 0 | 0 | 0 | 110.6 | Q58 L59 L64 K65 N66 T111 | Q58-I62 HydrophobicContact CG-CD1 4.18Å; Q58-I62 WeakPolarHBondContact O-CG1 3.31Å; Q58-I62 PolarHBondContact O-N 3.4Å; L59-I62 PolarHBondContact O-N 2.93Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 3.38Å; I62-K65 PolarHBondContact O-N 3Å; I62-N66 VanDerWaalsContact O-CG 3.3Å; I62-N66 PolarHBondContact O-N 2.96Å; I62-N66 PolarHBondContact O-OD1 3.47Å; I62-T111 HydrophobicContact CG1-CG2 4.47Å |
| 63 | T | 94.7 | Very high | 93.5 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 13% | 0.129 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 176.4 | -59 | 0 | 0 | 0 | 0 | 111.7 | F12 Y39 V43 L59 A60 N66 Y67 | F12-T63 HydrophobicContact CE1-CG2 4.37Å; F12-T63 HydrophobicContact CZ-CG2 4.22Å; Y39-T63 VanDerWaalsContact OH-CG2 3.27Å; Y39-T63 WeakPolarHBondContact OH-CG2 3.3Å; V43-T63 HydrophobicContact CG1-CG2 4.36Å; L59-T63 WeakPolarHBondContact O-CB 3.4Å; L59-T63 PolarHBondContact O-N 3.38Å; L59-T63 PolarHBondContact O-OG1 2.93Å; A60-T63 PolarHBondContact O-N 3.24Å; T63-N66 PolarHBondContact O-N 3.16Å; T63-Y67 WeakPolarHBondContact O-CB 3.39Å; T63-Y67 PolarHBondContact O-N 3.09Å |
| 64 | L | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 176.9 | -177.2 | 61.8 | 0 | 0 | 0 | 111.5 | P40 V43 A44 F47 A60 G61 I62 N66 Y67 I68 I93 M97 | P40-L64 HydrophobicContact CB-CD1 4.2Å; V43-L64 HydrophobicContact CG1-CB 3.89Å; A44-L64 HydrophobicContact CB-CD2 3.93Å; F47-L64 HydrophobicContact CD1-CD2 4.41Å; A60-L64 WeakPolarHBondContact O-CB 3.44Å; A60-L64 PolarHBondContact O-N 3.44Å; G61-L64 PolarHBondContact O-N 3.45Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 3.38Å; L64-N66 VanDerWaalsContact C-N 3.34Å; L64-N66 PolarHBondContact O-N 3.42Å; L64-Y67 WeakPolarHBondContact O-CB 3.41Å; L64-Y67 PolarHBondContact O-N 3.37Å; L64-I68 HydrophobicContact CD1-CD1 4.18Å; L64-I68 HydrophobicContact CD1-CG1 4.43Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.05Å; L64-I93 HydrophobicContact CD1-CD1 4.39Å; L64-I93 HydrophobicContact CD2-CG2 4.34Å; L64-M97 HydrophobicContact CD2-CE 3.61Å; L64-M97 HydrophobicContact CD2-SD 3.75Å |
| 65 | K | 94.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 32% | 0.317 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.8 | -48.1 | 176.3 | -170.2 | -170.2 | 71.9 | 164.9 | 0 | 111.4 | G61 I62 Y67 I68 A69 H114 L118 | G61-K65 PolarHBondContact O-N 3.41Å; I62-K65 PolarHBondContact O-N 3Å; K65-Y67 VanDerWaalsContact C-N 3.32Å; K65-Y67 PolarHBondContact O-N 2.87Å; K65-I68 PolarHBondContact O-N 3.22Å; K65-A69 PolarHBondContact O-N 3.46Å; K65-A69 VanDerWaalsContact O-N 3.12Å; K65-H114 HydrophobicContact CD-CB 4.26Å; K65-L118 HydrophobicContact CG-CD2 4.1Å |
| 66 | N | 93.1 | Very high | 92.1 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 49% | 0.492 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.6 | -36.8 | 179 | -68.5 | -3.9 | 0 | 0 | 0 | 112.3 | I62 T63 L64 | I62-N66 VanDerWaalsContact O-CG 3.3Å; I62-N66 PolarHBondContact O-N 2.96Å; I62-N66 PolarHBondContact O-OD1 3.47Å; T63-N66 PolarHBondContact O-N 3.16Å; L64-N66 VanDerWaalsContact C-N 3.34Å; L64-N66 PolarHBondContact O-N 3.42Å |
| 67 | Y | 94.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 174.2 | 177.3 | -87.6 | 0 | 0 | 0 | 111.3 | E34 Y39 P40 T63 L64 K65 A69 V70 H71 T85 | E34-Y67 HydrophobicContact CB-CD2 4.49Å; E34-Y67 HydrophobicContact CB-CE2 4.42Å; E34-Y67 HydrophobicContact CG-CD2 4.31Å; Y39-Y67 AromaticContact CD1-CD2 3.73Å; Y39-Y67 HydrophobicContact CD1-CD2 3.73Å; Y39-Y67 AromaticContact CD1-CE2 3.78Å; Y39-Y67 HydrophobicContact CD1-CE2 3.78Å; Y39-Y67 HydrophobicContact CD1-CG 4.43Å; Y39-Y67 AromaticContact CE1-CD2 3.76Å; Y39-Y67 HydrophobicContact CE1-CD2 3.76Å; Y39-Y67 HydrophobicContact CE1-CE2 4.27Å; Y39-Y67 HydrophobicContact CE1-CG 4.36Å; P40-Y67 HydrophobicContact CB-CD1 3.76Å; P40-Y67 HydrophobicContact CB-CE1 3.42Å; P40-Y67 VanDerWaalsContact CB-CE1 3.42Å; P40-Y67 HydrophobicContact CG-CD1 4.45Å; P40-Y67 HydrophobicContact CG-CE1 3.62Å; T63-Y67 WeakPolarHBondContact O-CB 3.39Å; T63-Y67 PolarHBondContact O-N 3.09Å; L64-Y67 WeakPolarHBondContact O-CB 3.41Å; L64-Y67 PolarHBondContact O-N 3.37Å; K65-Y67 VanDerWaalsContact C-N 3.32Å; K65-Y67 PolarHBondContact O-N 2.87Å; Y67-A69 VanDerWaalsContact C-N 3.32Å; Y67-A69 PolarHBondContact O-N 2.75Å; Y67-V70 PolarHBondContact O-N 3.47Å; Y67-H71 HydrophobicContact CD1-CB 4.07Å; Y67-H71 HydrophobicContact CD2-CB 4.23Å; Y67-H71 AromaticContact CD2-CD2 3.32Å; Y67-H71 WeakPolarHBondContact CD2-CD2 3.41Å; Y67-H71 AromaticContact CD2-CG 3.94Å; Y67-H71 HydrophobicContact CE1-CB 3.65Å; Y67-H71 HydrophobicContact CE2-CB 3.83Å; Y67-H71 AromaticContact CE2-CD2 3.35Å; Y67-H71 WeakPolarHBondContact CE2-CD2 3.41Å; Y67-H71 AromaticContact CE2-CG 3.57Å; Y67-H71 HydrophobicContact CG-CB 4.35Å; Y67-H71 AromaticContact CG-CD2 3.97Å; Y67-H71 AromaticContact CZ-CG 3.78Å; Y67-H71 WeakPolarHBondContact O-CB 3.25Å; Y67-H71 PolarHBondContact O-N 2.84Å; Y67-T85 WeakPolarHBondContact CE1-OG1 3.44Å |
| 68 | I | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 179.8 | -68.2 | 166.6 | 0 | 0 | 0 | 110.8 | L64 K65 V70 W72 I93 T115 L118 I119 | L64-I68 HydrophobicContact CD1-CD1 4.18Å; L64-I68 HydrophobicContact CD1-CG1 4.43Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.05Å; K65-I68 PolarHBondContact O-N 3.22Å; I68-V70 PolarHBondContact O-N 3.06Å; I68-W72 HydrophobicContact CB-CE3 4.08Å; I68-W72 HydrophobicContact CD1-CE3 4.32Å; I68-W72 HydrophobicContact CD1-CZ3 3.96Å; I68-W72 HydrophobicContact CG1-CE3 3.57Å; I68-W72 HydrophobicContact CG1-CZ3 3.64Å; I68-W72 HydrophobicContact CG2-CB 4.01Å; I68-W72 HydrophobicContact CG2-CD2 3.86Å; I68-W72 HydrophobicContact CG2-CE3 3.75Å; I68-W72 HydrophobicContact CG2-CG 4.04Å; I68-W72 HydrophobicContact CG2-CZ3 4.37Å; I68-W72 WeakPolarHBondContact O-CB 3.37Å; I68-W72 PolarHBondContact O-N 3.48Å; I68-I93 HydrophobicContact CD1-CG2 4.22Å; I68-T115 HydrophobicContact CD1-CG2 3.36Å; I68-L118 HydrophobicContact CB-CD2 4.04Å; I68-L118 HydrophobicContact CG2-CD2 3.71Å; I68-L118 HydrophobicContact CG2-CG 3.92Å; I68-I119 HydrophobicContact CD1-CD1 4.01Å; I68-I119 HydrophobicContact CD1-CG1 4.14Å; I68-I119 HydrophobicContact CG2-CG1 4Å |
| 69 | A | 91.9 | Very high | 90.4 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.4 | -24.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K65 Y67 L118 | K65-A69 PolarHBondContact O-N 3.46Å; K65-A69 VanDerWaalsContact O-N 3.12Å; Y67-A69 VanDerWaalsContact C-N 3.32Å; Y67-A69 PolarHBondContact O-N 2.75Å; A69-L118 HydrophobicContact CB-CD2 4.04Å |
| 70 | V | 92.5 | Very high | 90.1 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -120.5 | -19.5 | -176.2 | -56.2 | 0 | 0 | 0 | 0 | 114.4 | Y67 I68 F80 K81 | Y67-V70 PolarHBondContact O-N 3.47Å; I68-V70 PolarHBondContact O-N 3.06Å; V70-F80 CarbonylContact O-C 3.59Å; V70-F80 VanDerWaalsContact O-CA 3.28Å; V70-F80 WeakPolarHBondContact O-CA 3.5Å; V70-F80 WeakPolarHBondContact O-CD2 3.41Å; V70-K81 HydrophobicContact CB-CB 4.48Å; V70-K81 HydrophobicContact CB-CD 4.32Å; V70-K81 HydrophobicContact CB-CG 4.37Å; V70-K81 HydrophobicContact CG2-CD 4.29Å; V70-K81 PolarHBondContact O-N 3.01Å |
| 71 | H | 92.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -115.1 | -1 | -176.1 | -69.2 | -74.6 | 0 | 0 | 0 | 114.2 | Y67 K81 P82 P83 T85 | Y67-H71 HydrophobicContact CD1-CB 4.07Å; Y67-H71 HydrophobicContact CD2-CB 4.23Å; Y67-H71 AromaticContact CD2-CD2 3.32Å; Y67-H71 WeakPolarHBondContact CD2-CD2 3.41Å; Y67-H71 AromaticContact CD2-CG 3.94Å; Y67-H71 HydrophobicContact CE1-CB 3.65Å; Y67-H71 HydrophobicContact CE2-CB 3.83Å; Y67-H71 AromaticContact CE2-CD2 3.35Å; Y67-H71 WeakPolarHBondContact CE2-CD2 3.41Å; Y67-H71 AromaticContact CE2-CG 3.57Å; Y67-H71 HydrophobicContact CG-CB 4.35Å; Y67-H71 AromaticContact CG-CD2 3.97Å; Y67-H71 AromaticContact CZ-CG 3.78Å; Y67-H71 WeakPolarHBondContact O-CB 3.25Å; Y67-H71 PolarHBondContact O-N 2.84Å; H71-K81 PolarHBondContact CE1-O 2.76Å; H71-K81 VanDerWaalsContact CE1-O 3.25Å; H71-K81 PolarHBondContact ND1-O 3.03Å; H71-P82 PolarHBondContact CE1-O 3.01Å; H71-P83 PolarHBondContact ND1-O 3.14Å; H71-P83 VanDerWaalsContact ND1-O 3.11Å; H71-T85 PolarHBondContact O-N 3.18Å; H71-T85 PolarHBondContact O-OG1 3.41Å |
| 72 | W | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -71.5 | -47.1 | -171 | -160.3 | -105 | 0 | 0 | 0 | 113.7 | I68 E84 T85 K90 I93 I119 D123 | I68-W72 HydrophobicContact CB-CE3 4.08Å; I68-W72 HydrophobicContact CD1-CE3 4.32Å; I68-W72 HydrophobicContact CD1-CZ3 3.96Å; I68-W72 HydrophobicContact CG1-CE3 3.57Å; I68-W72 HydrophobicContact CG1-CZ3 3.64Å; I68-W72 HydrophobicContact CG2-CB 4.01Å; I68-W72 HydrophobicContact CG2-CD2 3.86Å; I68-W72 HydrophobicContact CG2-CE3 3.75Å; I68-W72 HydrophobicContact CG2-CG 4.04Å; I68-W72 HydrophobicContact CG2-CZ3 4.37Å; I68-W72 WeakPolarHBondContact O-CB 3.37Å; I68-W72 PolarHBondContact O-N 3.48Å; W72-E84 WeakPolarHBondContact O-CG 3.26Å; W72-T85 HydrophobicContact CE3-CG2 4.28Å; W72-T85 HydrophobicContact CZ3-CG2 4.29Å; W72-K90 HydrophobicContact CD2-CG 4.35Å; W72-K90 HydrophobicContact CE3-CG 4.46Å; W72-K90 HydrophobicContact CH2-CB 4.11Å; W72-K90 HydrophobicContact CH2-CG 4.04Å; W72-K90 HydrophobicContact CZ2-CB 3.93Å; W72-K90 HydrophobicContact CZ2-CD 4.42Å; W72-K90 HydrophobicContact CZ2-CG 3.81Å; W72-K90 HydrophobicContact CZ3-CG 4.34Å; W72-K90 WeakPolarHBondContact O-CE 3.4Å; W72-K90 PolarHBondContact O-NZ 3.21Å; W72-I93 HydrophobicContact CH2-CB 4.06Å; W72-I93 HydrophobicContact CH2-CD1 4.3Å; W72-I93 HydrophobicContact CH2-CG2 3.87Å; W72-I93 HydrophobicContact CZ3-CB 4.39Å; W72-I93 HydrophobicContact CZ3-CD1 3.86Å; W72-I93 HydrophobicContact CZ3-CG2 4.09Å; W72-I119 HydrophobicContact CH2-CD1 3.7Å; W72-I119 HydrophobicContact CH2-CG1 3.86Å; W72-I119 HydrophobicContact CH2-CG2 4.35Å; W72-I119 HydrophobicContact CZ2-CB 4.22Å; W72-I119 HydrophobicContact CZ2-CD1 3.93Å; W72-I119 HydrophobicContact CZ2-CG1 3.69Å; W72-I119 HydrophobicContact CZ2-CG2 3.48Å; W72-I119 VanDerWaalsContact CZ2-CG2 3.48Å; W72-I119 HydrophobicContact CZ3-CD1 4.39Å; W72-I119 HydrophobicContact CZ3-CG1 4.4Å; W72-D123 VanDerWaalsContact NE1-CG 3.3Å; W72-D123 PolarHBondContact NE1-OD1 2.85Å; W72-D123 PolarHBondContact NE1-OD2 3.08Å |
| 73 | S | 88.6 | Confident | 89.4 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | trans | -152.2 | 134.5 | -175.1 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | T75 S76 C77 F80 | S73-T75 VanDerWaalsContact C-N 3.3Å; S73-T75 PolarHBondContact O-N 3.36Å; S73-T75 PolarHBondContact OG-N 3.27Å; S73-T75 PolarHBondContact OG-OG1 3.48Å; S73-S76 WeakPolarHBondContact CB-OG 3.41Å; S73-S76 PolarHBondContact OG-N 3.49Å; S73-S76 PolarHBondContact OG-OG 3.03Å; S73-S76 VanDerWaalsContact OG-OG 3.1Å; S73-C77 VanDerWaalsContact O-CB 3.32Å; S73-C77 WeakPolarHBondContact O-CB 3.48Å; S73-C77 PolarHBondContact O-N 2.91Å; S73-C77 PolarHBondContact O-SG 3.22Å; S73-C77 VanDerWaalsContact O-SG 3.37Å; S73-F80 VanDerWaalsContact O-CD2 3.28Å; S73-F80 WeakPolarHBondContact O-CD2 3.45Å | ||
| 74 | E | 87.8 | Confident | 89.2 | Confident | 136 Ų | 136 | 59.7 Ų | 59.7 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -30.6 | 179.5 | -175.3 | 174.2 | -172 | 0 | 0 | 112.4 | F80 | E74-F80 HydrophobicContact CB-CD1 4.12Å; E74-F80 HydrophobicContact CB-CE1 3.86Å; E74-F80 HydrophobicContact CB-CE2 4.29Å; E74-F80 HydrophobicContact CB-CG 4.44Å; E74-F80 HydrophobicContact CB-CZ 3.96Å; E74-F80 HydrophobicContact CG-CD1 3.95Å; E74-F80 HydrophobicContact CG-CE1 3.86Å; E74-F80 HydrophobicContact CG-CZ 4.45Å |
| 75 | T | 81.9 | Confident | 89.1 | Confident | 136 Ų | 136 | 59.9 Ų | 59.9 | 83% | 0.834 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -25.3 | -174.2 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | S73 | S73-T75 VanDerWaalsContact C-N 3.3Å; S73-T75 PolarHBondContact O-N 3.36Å; S73-T75 PolarHBondContact OG-N 3.27Å; S73-T75 PolarHBondContact OG-OG1 3.48Å |
| 76 | S | 77.4 | Confident | 88.9 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -17.9 | -174.1 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | S73 H122 | S73-S76 WeakPolarHBondContact CB-OG 3.41Å; S73-S76 PolarHBondContact OG-N 3.49Å; S73-S76 PolarHBondContact OG-OG 3.03Å; S73-S76 VanDerWaalsContact OG-OG 3.1Å; S76-H122 WeakPolarHBondContact CB-ND1 3.41Å; S76-H122 PolarHBondContact OG-ND1 3.44Å; S76-H122 VanDerWaalsContact OG-ND1 3.09Å |
| 77 | C | 80.7 | Confident | 88.8 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | trans | -93.1 | 110.3 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | S73 S79 F80 | S73-C77 VanDerWaalsContact O-CB 3.32Å; S73-C77 WeakPolarHBondContact O-CB 3.48Å; S73-C77 PolarHBondContact O-N 2.91Å; S73-C77 PolarHBondContact O-SG 3.22Å; S73-C77 VanDerWaalsContact O-SG 3.37Å; C77-S79 PolarHBondContact O-N 3.45Å; C77-S79 VanDerWaalsContact O-N 3.14Å; C77-F80 HydrophobicContact CB-CB 4.04Å; C77-F80 HydrophobicContact CB-CD2 4.47Å; C77-F80 WeakPolarHBondContact O-CB 3.31Å; C77-F80 PolarHBondContact O-N 2.84Å; C77-F80 VanDerWaalsContact O-N 3.11Å | ||
| 78 | M | 78.7 | Confident | 88.7 | Confident | 201 Ų | 201 | 64 Ų | 64 | 99% | 0.99 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.7 | 176.6 | -72.7 | -68.1 | -79.8 | 0 | 0 | 113.6 | ||
| 79 | S | 85.8 | Confident | 88.6 | Confident | 73 Ų | 73 | 64 Ų | 64 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 32.9 | 179.3 | 60.9 | 0 | 0 | 0 | 0 | 113 | C77 K81 | C77-S79 PolarHBondContact O-N 3.45Å; C77-S79 VanDerWaalsContact O-N 3.14Å; S79-K81 PolarHBondContact O-N 3.06Å |
| 80 | F | 89.2 | Confident | 88.7 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 22% | 0.219 | 34% | 0.342 | C | S | . | . | trans | -53.8 | 134.1 | -176.4 | -179.1 | -106.7 | 0 | 0 | 0 | 113.2 | V70 S73 E74 C77 E84 | V70-F80 CarbonylContact O-C 3.59Å; V70-F80 VanDerWaalsContact O-CA 3.28Å; V70-F80 WeakPolarHBondContact O-CA 3.5Å; V70-F80 WeakPolarHBondContact O-CD2 3.41Å; S73-F80 VanDerWaalsContact O-CD2 3.28Å; S73-F80 WeakPolarHBondContact O-CD2 3.45Å; E74-F80 HydrophobicContact CB-CD1 4.12Å; E74-F80 HydrophobicContact CB-CE1 3.86Å; E74-F80 HydrophobicContact CB-CE2 4.29Å; E74-F80 HydrophobicContact CB-CG 4.44Å; E74-F80 HydrophobicContact CB-CZ 3.96Å; E74-F80 HydrophobicContact CG-CD1 3.95Å; E74-F80 HydrophobicContact CG-CE1 3.86Å; E74-F80 HydrophobicContact CG-CZ 4.45Å; C77-F80 HydrophobicContact CB-CB 4.04Å; C77-F80 HydrophobicContact CB-CD2 4.47Å; C77-F80 WeakPolarHBondContact O-CB 3.31Å; C77-F80 PolarHBondContact O-N 2.84Å; C77-F80 VanDerWaalsContact O-N 3.11Å; F80-E84 HydrophobicContact CE2-CB 4.09Å; F80-E84 HydrophobicContact CE2-CG 4.15Å; F80-E84 HydrophobicContact CZ-CB 3.84Å; F80-E84 HydrophobicContact CZ-CG 4.33Å | ||
| 81 | K | 90 | Very high | 88.7 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | trans | -123.8 | 131.3 | 173.1 | -66.6 | 177.4 | -173.7 | 172.2 | 0 | 108.5 | V70 H71 S79 | V70-K81 HydrophobicContact CB-CB 4.48Å; V70-K81 HydrophobicContact CB-CD 4.32Å; V70-K81 HydrophobicContact CB-CG 4.37Å; V70-K81 HydrophobicContact CG2-CD 4.29Å; V70-K81 PolarHBondContact O-N 3.01Å; H71-K81 PolarHBondContact CE1-O 2.76Å; H71-K81 VanDerWaalsContact CE1-O 3.25Å; H71-K81 PolarHBondContact ND1-O 3.03Å; S79-K81 PolarHBondContact O-N 3.06Å | ||
| 82 | P | 88.6 | Confident | 88.7 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 66% | 0.656 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -68.8 | 150 | 173.6 | 27.7 | -33.5 | 0 | 0 | 0 | 111.2 | H71 | H71-P82 PolarHBondContact CE1-O 3.01Š|
| 83 | P | 91.1 | Very high | 88.8 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | S | Bend | cis | -84 | 156.8 | 3.3 | 34 | -34.7 | 0 | 0 | 0 | 113.6 | H71 | H71-P83 PolarHBondContact ND1-O 3.14Å; H71-P83 VanDerWaalsContact ND1-O 3.11Å |
| 84 | E | 91.6 | Very high | 89.1 | Confident | 87 Ų | 87 | 69 Ų | 69 | 41% | 0.407 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 140.5 | 167.6 | -162.5 | -171.4 | 164.6 | 0 | 0 | 110.5 | W72 F80 C86 K90 | W72-E84 WeakPolarHBondContact O-CG 3.26Å; F80-E84 HydrophobicContact CE2-CB 4.09Å; F80-E84 HydrophobicContact CE2-CG 4.15Å; F80-E84 HydrophobicContact CZ-CB 3.84Å; F80-E84 HydrophobicContact CZ-CG 4.33Å; E84-C86 PolarHBondContact O-N 3.32Å; E84-K90 IonicContact OE1-NZ 2.61Å; E84-K90 PolarHBondContact OE1-NZ 3.2Å |
| 85 | T | 92.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.025 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 124.9 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | P40 Y67 H71 W72 A89 K90 I93 | P40-T85 HydrophobicContact CG-CG2 4.31Å; Y67-T85 WeakPolarHBondContact CE1-OG1 3.44Å; H71-T85 PolarHBondContact O-N 3.18Å; H71-T85 PolarHBondContact O-OG1 3.41Å; W72-T85 HydrophobicContact CE3-CG2 4.28Å; W72-T85 HydrophobicContact CZ3-CG2 4.29Å; T85-A89 HydrophobicContact CG2-CB 3.73Å; T85-K90 HydrophobicContact CG2-CG 3.86Å; T85-K90 WeakPolarHBondContact O-CE 3.39Å; T85-I93 HydrophobicContact CG2-CD1 4.49Å |
| 86 | C | 92.2 | Very high | 89.9 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 152.4 | -179.2 | 70.6 | 0 | 0 | 0 | 0 | 112.9 | E84 N88 A89 K90 | E84-C86 PolarHBondContact O-N 3.32Å; C86-N88 PolarHBondContact O-N 3.45Å; C86-N88 VanDerWaalsContact O-N 3.13Å; C86-A89 WeakPolarHBondContact O-CA 3.38Å; C86-A89 WeakPolarHBondContact O-CB 3.46Å; C86-A89 PolarHBondContact O-N 3.17Å; C86-K90 PolarHBondContact O-N 3.24Å |
| 87 | D | 90.7 | Very high | 90.8 | Very high | 112 Ų | 112 | 56.5 Ų | 56.5 | 60% | 0.599 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.5 | -34.5 | -175.6 | -67.6 | -33 | 0 | 0 | 0 | 114.1 | K90 S91 | D87-K90 PolarHBondContact O-N 3.43Å; D87-S91 WeakPolarHBondContact O-CB 3.18Å; D87-S91 PolarHBondContact O-N 3.41Å |
| 88 | N | 91.3 | Very high | 91.4 | Very high | 109 Ų | 109 | 56.8 Ų | 56.8 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 175.9 | -176.1 | 40.6 | 0 | 0 | 0 | 111.5 | C86 L92 | C86-N88 PolarHBondContact O-N 3.45Å; C86-N88 VanDerWaalsContact O-N 3.13Å; N88-L92 WeakPolarHBondContact O-CG 3.46Å; N88-L92 PolarHBondContact O-N 3.1Å; N88-L92 VanDerWaalsContact O-N 3.16Å |
| 89 | A | 92 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | P40 I41 T85 C86 S91 L92 I93 | P40-A89 HydrophobicContact CG-CB 4.39Å; I41-A89 HydrophobicContact CD1-CB 3.84Å; I41-A89 HydrophobicContact CG1-CB 3.75Å; T85-A89 HydrophobicContact CG2-CB 3.73Å; C86-A89 WeakPolarHBondContact O-CA 3.38Å; C86-A89 WeakPolarHBondContact O-CB 3.46Å; C86-A89 PolarHBondContact O-N 3.17Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 2.69Å; A89-L92 PolarHBondContact O-N 3.23Å; A89-I93 HydrophobicContact CB-CD1 4.45Å; A89-I93 WeakPolarHBondContact O-CB 3.29Å; A89-I93 WeakPolarHBondContact O-CD1 3.44Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 2.93Å |
| 90 | K | 94.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.6 | -49.6 | 175.6 | -68.2 | -178.8 | 173.9 | 168.1 | 0 | 111.4 | W72 E84 T85 C86 D87 L92 I93 R94 | W72-K90 HydrophobicContact CD2-CG 4.35Å; W72-K90 HydrophobicContact CE3-CG 4.46Å; W72-K90 HydrophobicContact CH2-CB 4.11Å; W72-K90 HydrophobicContact CH2-CG 4.04Å; W72-K90 HydrophobicContact CZ2-CB 3.93Å; W72-K90 HydrophobicContact CZ2-CD 4.42Å; W72-K90 HydrophobicContact CZ2-CG 3.81Å; W72-K90 HydrophobicContact CZ3-CG 4.34Å; W72-K90 WeakPolarHBondContact O-CE 3.4Å; W72-K90 PolarHBondContact O-NZ 3.21Å; E84-K90 IonicContact OE1-NZ 2.61Å; E84-K90 PolarHBondContact OE1-NZ 3.2Å; T85-K90 HydrophobicContact CG2-CG 3.86Å; T85-K90 WeakPolarHBondContact O-CE 3.39Å; C86-K90 PolarHBondContact O-N 3.24Å; D87-K90 PolarHBondContact O-N 3.43Å; K90-L92 PolarHBondContact O-N 3.47Å; K90-I93 PolarHBondContact O-N 3.25Å; K90-R94 WeakPolarHBondContact O-CB 3.38Å; K90-R94 VanDerWaalsContact O-CG 3.28Å; K90-R94 WeakPolarHBondContact O-CG 3.31Å; K90-R94 PolarHBondContact O-N 3.25Å |
| 91 | S | 92.7 | Very high | 92.7 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 47% | 0.469 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 113.4 | D87 A89 S95 | D87-S91 WeakPolarHBondContact O-CB 3.18Å; D87-S91 PolarHBondContact O-N 3.41Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 2.69Å; S91-S95 PolarHBondContact O-N 3.11Å; S91-S95 VanDerWaalsContact O-N 3.1Å; S91-S95 PolarHBondContact O-OG 2.97Å |
| 92 | L | 93.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 41% | 0.414 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 177.7 | -72.6 | 172.3 | 0 | 0 | 0 | 111.6 | I41 N88 A89 K90 S95 G96 | I41-L92 HydrophobicContact CD1-CD1 3.97Å; I41-L92 HydrophobicContact CG1-CD1 4.32Å; I41-L92 HydrophobicContact CG2-CD1 4.32Å; N88-L92 WeakPolarHBondContact O-CG 3.46Å; N88-L92 PolarHBondContact O-N 3.1Å; N88-L92 VanDerWaalsContact O-N 3.16Å; A89-L92 PolarHBondContact O-N 3.23Å; K90-L92 PolarHBondContact O-N 3.47Å; L92-S95 PolarHBondContact O-N 3.36Å; L92-S95 PolarHBondContact O-OG 3.35Å; L92-G96 PolarHBondContact O-N 3.27Å |
| 93 | I | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -48.9 | 179.6 | -67.5 | 161.6 | 0 | 0 | 0 | 110.5 | P40 A44 L64 I68 W72 T85 A89 K90 S95 G96 M97 I119 | P40-I93 HydrophobicContact CB-CD1 3.82Å; P40-I93 HydrophobicContact CG-CD1 4.4Å; A44-I93 HydrophobicContact CB-CG1 4.21Å; L64-I93 HydrophobicContact CD1-CD1 4.39Å; L64-I93 HydrophobicContact CD2-CG2 4.34Å; I68-I93 HydrophobicContact CD1-CG2 4.22Å; W72-I93 HydrophobicContact CH2-CB 4.06Å; W72-I93 HydrophobicContact CH2-CD1 4.3Å; W72-I93 HydrophobicContact CH2-CG2 3.87Å; W72-I93 HydrophobicContact CZ3-CB 4.39Å; W72-I93 HydrophobicContact CZ3-CD1 3.86Å; W72-I93 HydrophobicContact CZ3-CG2 4.09Å; T85-I93 HydrophobicContact CG2-CD1 4.49Å; A89-I93 HydrophobicContact CB-CD1 4.45Å; A89-I93 WeakPolarHBondContact O-CB 3.29Å; A89-I93 WeakPolarHBondContact O-CD1 3.44Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 2.93Å; K90-I93 PolarHBondContact O-N 3.25Å; I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 3.21Å; I93-G96 PolarHBondContact O-N 3.47Å; I93-G96 VanDerWaalsContact O-N 3.09Å; I93-M97 HydrophobicContact CG2-CG 4.09Å; I93-M97 WeakPolarHBondContact O-CG 3.38Å; I93-M97 PolarHBondContact O-N 3.16Å; I93-I119 HydrophobicContact CG2-CD1 3.97Å |
| 94 | R | 95.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 41.1 Ų | 41.1 | 13% | 0.125 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -51.6 | -49.8 | 174.9 | -72.8 | 177 | -158.1 | 142 | 3.5 | 111.4 | K90 G96 L98 I119 D123 W128 | K90-R94 WeakPolarHBondContact O-CB 3.38Å; K90-R94 VanDerWaalsContact O-CG 3.28Å; K90-R94 WeakPolarHBondContact O-CG 3.31Å; K90-R94 PolarHBondContact O-N 3.25Å; R94-G96 PolarHBondContact O-N 3.29Å; R94-L98 WeakPolarHBondContact O-CG 3.22Å; R94-L98 PolarHBondContact O-N 2.81Å; R94-I119 HydrophobicContact CG-CG2 4.1Å; R94-D123 IonicContact CZ-OD2 2.76Å; R94-D123 IonicContact NE-OD2 2.75Å; R94-D123 PolarHBondContact NE-OD2 3.34Å; R94-D123 VanDerWaalsContact NH2-CG 3.29Å; R94-D123 IonicContact NH2-OD1 2.93Å; R94-D123 IonicContact NH2-OD2 3.79Å; R94-D123 PolarHBondContact NH2-OD2 3.45Å; R94-W128 HydrophobicContact CB-CH2 3.83Å; R94-W128 HydrophobicContact CB-CZ2 3.64Å; R94-W128 HydrophobicContact CB-CZ3 4.37Å; R94-W128 HydrophobicContact CG-CD2 4.01Å; R94-W128 HydrophobicContact CG-CE3 3.91Å; R94-W128 HydrophobicContact CG-CH2 3.81Å; R94-W128 HydrophobicContact CG-CZ2 3.92Å; R94-W128 HydrophobicContact CG-CZ3 3.82Å |
| 95 | S | 93.6 | Very high | 92.6 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 179.3 | 75.9 | 0 | 0 | 0 | 0 | 113.6 | S91 L92 I93 Q99 | S91-S95 PolarHBondContact O-N 3.11Å; S91-S95 VanDerWaalsContact O-N 3.1Å; S91-S95 PolarHBondContact O-OG 2.97Å; L92-S95 PolarHBondContact O-N 3.36Å; L92-S95 PolarHBondContact O-OG 3.35Å; I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 3.21Å; S95-Q99 WeakPolarHBondContact O-CG 3.48Å; S95-Q99 PolarHBondContact O-N 2.82Å |
| 96 | G | 93.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.1 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L48 L92 I93 R94 L98 Q99 L100 | L48-G96 WeakPolarHBondContact CD2-O 3.48Å; L92-G96 PolarHBondContact O-N 3.27Å; I93-G96 PolarHBondContact O-N 3.47Å; I93-G96 VanDerWaalsContact O-N 3.09Å; R94-G96 PolarHBondContact O-N 3.29Å; G96-L98 VanDerWaalsContact C-N 3.28Å; G96-L98 PolarHBondContact O-N 2.98Å; G96-Q99 WeakPolarHBondContact O-CB 3.39Å; G96-Q99 PolarHBondContact O-N 2.87Å; G96-Q99 VanDerWaalsContact O-N 3.1Å; G96-L100 PolarHBondContact O-N 3.44Å |
| 97 | M | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -38.1 | -179.8 | -61.8 | -53.2 | 95.4 | 0 | 0 | 111.3 | A44 F47 L64 I93 Q99 L100 L101 T115 I116 | A44-M97 HydrophobicContact CB-CE 4.34Å; F47-M97 HydrophobicContact CD1-CE 3.82Å; F47-M97 HydrophobicContact CD1-SD 3.88Å; F47-M97 HydrophobicContact CE1-CE 4.29Å; F47-M97 HydrophobicContact CE1-SD 3.78Å; L64-M97 HydrophobicContact CD2-CE 3.61Å; L64-M97 HydrophobicContact CD2-SD 3.75Å; I93-M97 HydrophobicContact CG2-CG 4.09Å; I93-M97 WeakPolarHBondContact O-CG 3.38Å; I93-M97 PolarHBondContact O-N 3.16Å; M97-Q99 VanDerWaalsContact C-N 3.31Å; M97-Q99 PolarHBondContact O-N 3.39Å; M97-L100 HydrophobicContact CE-CD1 3.82Å; M97-L100 WeakPolarHBondContact O-CB 3.46Å; M97-L100 PolarHBondContact O-N 3.27Å; M97-L100 VanDerWaalsContact O-N 3.14Å; M97-L100 HydrophobicContact SD-CD1 4.23Å; M97-L101 PolarHBondContact O-N 2.76Å; M97-T115 HydrophobicContact CG-CG2 3.89Å; M97-T115 HydrophobicContact SD-CG2 3.87Å; M97-I116 HydrophobicContact CB-CD1 3.93Å; M97-I116 HydrophobicContact CB-CG1 3.53Å; M97-I116 HydrophobicContact CG-CG1 4.49Å |
| 98 | L | 94.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 174.1 | -73.8 | 174.6 | 0 | 0 | 0 | 113.1 | R94 G96 L100 L101 I116 W128 Q134 L135 L138 | R94-L98 WeakPolarHBondContact O-CG 3.22Å; R94-L98 PolarHBondContact O-N 2.81Å; G96-L98 VanDerWaalsContact C-N 3.28Å; G96-L98 PolarHBondContact O-N 2.98Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 3.24Å; L98-L101 HydrophobicContact CD2-CD1 4.12Å; L98-L101 WeakPolarHBondContact O-CB 3.19Å; L98-L101 PolarHBondContact O-N 3.43Å; L98-I116 HydrophobicContact CD2-CD1 4.15Å; L98-W128 HydrophobicContact CD1-CZ2 3.89Å; L98-W128 HydrophobicContact CG-CZ2 4.17Å; L98-Q134 HydrophobicContact CD1-CB 4.04Å; L98-Q134 HydrophobicContact CD1-CG 4.49Å; L98-L135 HydrophobicContact CD2-CD2 3.78Å; L98-L138 HydrophobicContact CB-CD1 4.37Å; L98-L138 HydrophobicContact CD2-CD1 4.03Å |
| 99 | Q | 92.5 | Very high | 92.4 | Very high | 128 Ų | 128 | 35.5 Ų | 35.5 | 60% | 0.598 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -66.5 | -35.4 | 176 | -68.5 | 171.1 | 24.1 | 0 | 0 | 111.8 | L48 S95 G96 M97 L101 A102 | L48-Q99 HydrophobicContact CD2-CB 4.38Å; S95-Q99 WeakPolarHBondContact O-CG 3.48Å; S95-Q99 PolarHBondContact O-N 2.82Å; G96-Q99 WeakPolarHBondContact O-CB 3.39Å; G96-Q99 PolarHBondContact O-N 2.87Å; G96-Q99 VanDerWaalsContact O-N 3.1Å; M97-Q99 VanDerWaalsContact C-N 3.31Å; M97-Q99 PolarHBondContact O-N 3.39Å; Q99-L101 PolarHBondContact O-N 3.05Å; Q99-A102 PolarHBondContact O-N 3.23Å |
| 100 | L | 94.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.7 | -16.8 | -179.8 | -69.9 | 174.6 | 0 | 0 | 0 | 113.5 | F47 L48 G96 M97 L98 A102 S103 I108 A112 | F47-L100 HydrophobicContact CB-CD1 4.39Å; F47-L100 HydrophobicContact CD1-CD1 3.28Å; F47-L100 HydrophobicContact CD2-CD1 4.05Å; F47-L100 HydrophobicContact CE1-CD1 3.35Å; F47-L100 HydrophobicContact CE2-CD1 4.15Å; F47-L100 HydrophobicContact CG-CD1 3.62Å; F47-L100 HydrophobicContact CZ-CD1 3.79Å; L48-L100 HydrophobicContact CD2-CD1 4.16Å; L48-L100 HydrophobicContact CD2-CD2 3.94Å; L48-L100 HydrophobicContact CD2-CG 3.73Å; L48-L100 HydrophobicContact CG-CD1 4.46Å; G96-L100 PolarHBondContact O-N 3.44Å; M97-L100 HydrophobicContact CE-CD1 3.82Å; M97-L100 WeakPolarHBondContact O-CB 3.46Å; M97-L100 PolarHBondContact O-N 3.27Å; M97-L100 VanDerWaalsContact O-N 3.14Å; M97-L100 HydrophobicContact SD-CD1 4.23Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 3.24Å; L100-A102 PolarHBondContact O-N 3.08Å; L100-S103 WeakPolarHBondContact O-CB 3.13Å; L100-S103 PolarHBondContact O-N 3.4Å; L100-I108 HydrophobicContact CB-CG2 4.49Å; L100-I108 HydrophobicContact CD2-CG2 3.9Å; L100-A112 HydrophobicContact CB-CB 3.57Å; L100-A112 HydrophobicContact CD1-CB 4.36Å |
| 101 | L | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.7 | 171.6 | -62.8 | -176.6 | 0 | 0 | 0 | 112.4 | M97 L98 Q99 S103 R109 A112 A113 I116 L135 L138 N155 T156 V160 V163 | M97-L101 PolarHBondContact O-N 2.76Å; L98-L101 HydrophobicContact CD2-CD1 4.12Å; L98-L101 WeakPolarHBondContact O-CB 3.19Å; L98-L101 PolarHBondContact O-N 3.43Å; Q99-L101 PolarHBondContact O-N 3.05Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-R109 WeakPolarHBondContact O-CD 3.19Å; L101-A112 HydrophobicContact CD2-CB 4.43Å; L101-A113 HydrophobicContact CD2-CB 4.14Å; L101-I116 HydrophobicContact CD1-CD1 3.77Å; L101-I116 HydrophobicContact CD2-CD1 3.81Å; L101-I116 HydrophobicContact CG-CD1 3.81Å; L101-L135 HydrophobicContact CD1-CD2 3.98Å; L101-L138 HydrophobicContact CD1-CD1 4.14Å; L101-N155 CarbonylContact O-C 3.59Å; L101-N155 VanDerWaalsContact O-O 3.1Å; L101-T156 WeakPolarHBondContact O-CA 3.42Å; L101-V160 HydrophobicContact CD1-CG2 3.84Å; L101-V163 HydrophobicContact CD1-CG2 4.32Å; L101-V163 HydrophobicContact CD2-CG2 4.17Å |
| 102 | A | 90.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 28% | 0.281 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q99 L100 I152 T156 | Q99-A102 PolarHBondContact O-N 3.23Å; L100-A102 PolarHBondContact O-N 3.08Å; A102-I152 HydrophobicContact CB-CG2 4.47Å; A102-T156 WeakPolarHBondContact CA-OG1 3.32Å; A102-T156 VanDerWaalsContact CB-OG1 3.24Å; A102-T156 WeakPolarHBondContact CB-OG1 3.43Å |
| 103 | S | 90.5 | Very high | 92.5 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | trans | -59.7 | 140.1 | -175 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | L100 L101 H105 I108 R109 | L100-S103 WeakPolarHBondContact O-CB 3.13Å; L100-S103 PolarHBondContact O-N 3.4Å; L101-S103 VanDerWaalsContact C-N 3.35Å; S103-H105 PolarHBondContact O-N 3.05Å; S103-H105 PolarHBondContact OG-N 2.75Å; S103-I108 WeakPolarHBondContact OG-CG2 3.35Å; S103-R109 VanDerWaalsContact O-CD 3.23Å; S103-R109 WeakPolarHBondContact O-CD 3.46Å; S103-R109 VanDerWaalsContact O-CG 3.27Å; S103-R109 WeakPolarHBondContact O-CG 3.3Å; S103-R109 PolarHBondContact O-NH1 2.88Å | ||
| 104 | P | 87.9 | Confident | 92.4 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 53% | 0.532 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -67 | -23.2 | 173.9 | 27.6 | -34.3 | 0 | 0 | 0 | 113 | R109 | P104-R109 PolarHBondContact O-NH1 3.18Š|
| 105 | H | 90.8 | Very high | 92.3 | Very high | 78 Ų | 78 | 31 Ų | 31 | 36% | 0.361 | 17% | 0.172 | S | C | . | . | trans | -90.5 | 120.4 | -178.4 | -61 | -68.5 | 0 | 0 | 0 | 111.3 | V54 S103 S107 I108 R109 | V54-H105 HydrophobicContact CG1-CB 4.4Å; V54-H105 VanDerWaalsContact CG2-CE1 3.48Å; V54-H105 WeakPolarHBondContact CG2-CE1 3.47Å; S103-H105 PolarHBondContact O-N 3.05Å; S103-H105 PolarHBondContact OG-N 2.75Å; H105-S107 PolarHBondContact O-N 3.08Å; H105-I108 HydrophobicContact CB-CB 4.15Å; H105-I108 HydrophobicContact CB-CG1 3.77Å; H105-I108 PolarHBondContact O-N 3.19Å; H105-R109 PolarHBondContact O-N 2.98Å; H105-R109 VanDerWaalsContact O-N 3.09Å | ||
| 106 | Q | 87.8 | Confident | 92.5 | Very high | 90 Ų | 90 | 28.4 Ų | 28.4 | 42% | 0.421 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57 | -48 | -179.5 | -179.3 | 177.9 | -10.3 | 0 | 0 | 112.2 | I108 R109 V110 S322 | Q106-I108 VanDerWaalsContact C-N 3.29Å; Q106-I108 PolarHBondContact O-N 3.26Å; Q106-R109 WeakPolarHBondContact O-CA 3.41Å; Q106-R109 WeakPolarHBondContact O-CB 3.21Å; Q106-R109 PolarHBondContact O-N 3.13Å; Q106-V110 HydrophobicContact CG-CG2 4.06Å; Q106-V110 WeakPolarHBondContact O-CG2 3.23Å; Q106-V110 PolarHBondContact O-N 3.06Å; Q106-S322 VanDerWaalsContact NE2-C 3.32Å; Q106-S322 PolarHBondContact NE2-O 3.31Å |
| 107 | S | 89.6 | Confident | 92.5 | Very high | 47 Ų | 47 | 28.7 Ų | 28.7 | 33% | 0.329 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -55.1 | -42.1 | 179.2 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | Q58 H105 T111 | Q58-S107 PolarHBondContact OE1-O 3.45Å; Q58-S107 VanDerWaalsContact OE1-O 3.11Å; H105-S107 PolarHBondContact O-N 3.08Å; S107-T111 WeakPolarHBondContact O-CB 3.34Å; S107-T111 PolarHBondContact O-N 2.74Å; S107-T111 PolarHBondContact O-OG1 2.78Å |
| 108 | I | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -45.7 | 175.8 | -58.8 | -62.1 | 0 | 0 | 0 | 110.6 | F47 V54 R57 Q58 L100 S103 H105 Q106 T111 A112 | F47-I108 HydrophobicContact CD2-CD1 4.13Å; F47-I108 HydrophobicContact CD2-CG2 4.35Å; F47-I108 HydrophobicContact CE2-CB 4.26Å; F47-I108 HydrophobicContact CE2-CD1 3.64Å; F47-I108 HydrophobicContact CE2-CG2 3.66Å; F47-I108 HydrophobicContact CZ-CG2 4.15Å; V54-I108 HydrophobicContact CG1-CD1 4.43Å; V54-I108 HydrophobicContact CG1-CG1 4.33Å; R57-I108 HydrophobicContact CB-CD1 3.57Å; Q58-I108 HydrophobicContact CB-CD1 4.32Å; L100-I108 HydrophobicContact CB-CG2 4.49Å; L100-I108 HydrophobicContact CD2-CG2 3.9Å; S103-I108 WeakPolarHBondContact OG-CG2 3.35Å; H105-I108 HydrophobicContact CB-CB 4.15Å; H105-I108 HydrophobicContact CB-CG1 3.77Å; H105-I108 PolarHBondContact O-N 3.19Å; Q106-I108 VanDerWaalsContact C-N 3.29Å; Q106-I108 PolarHBondContact O-N 3.26Å; I108-T111 PolarHBondContact O-N 3.29Å; I108-A112 WeakPolarHBondContact O-CB 3.34Å; I108-A112 PolarHBondContact O-N 2.85Å |
| 109 | R | 92 | Very high | 92.4 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 6% | 0.057 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.8 | -69.8 | -160.4 | -56.2 | -85.2 | 3.8 | 112.2 | L101 S103 P104 H105 Q106 A112 A113 N155 | L101-R109 WeakPolarHBondContact O-CD 3.19Å; S103-R109 VanDerWaalsContact O-CD 3.23Å; S103-R109 WeakPolarHBondContact O-CD 3.46Å; S103-R109 VanDerWaalsContact O-CG 3.27Å; S103-R109 WeakPolarHBondContact O-CG 3.3Å; S103-R109 PolarHBondContact O-NH1 2.88Å; P104-R109 PolarHBondContact O-NH1 3.18Å; H105-R109 PolarHBondContact O-N 2.98Å; H105-R109 VanDerWaalsContact O-N 3.09Å; Q106-R109 WeakPolarHBondContact O-CA 3.41Å; Q106-R109 WeakPolarHBondContact O-CB 3.21Å; Q106-R109 PolarHBondContact O-N 3.13Å; R109-A112 PolarHBondContact O-N 3.21Å; R109-A113 WeakPolarHBondContact O-CB 3.3Å; R109-A113 PolarHBondContact O-N 3.42Å; R109-N155 VanDerWaalsContact CD-O 3.28Å; R109-N155 WeakPolarHBondContact CD-O 3.21Å; R109-N155 VanDerWaalsContact NH1-CG 3.31Å; R109-N155 PolarHBondContact NH1-OD1 3.42Å; R109-N155 VanDerWaalsContact NH1-OD1 3.07Å |
| 110 | V | 90.9 | Very high | 92.4 | Very high | 21 Ų | 21 | 23.5 Ų | 23.5 | 13% | 0.127 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.3 | -50.9 | 177.5 | 166.5 | 0 | 0 | 0 | 0 | 110.4 | Q106 A112 A113 H114 R162 | Q106-V110 HydrophobicContact CG-CG2 4.06Å; Q106-V110 WeakPolarHBondContact O-CG2 3.23Å; Q106-V110 PolarHBondContact O-N 3.06Å; V110-A112 PolarHBondContact O-N 3.49Å; V110-A113 PolarHBondContact O-N 3.24Å; V110-H114 VanDerWaalsContact CG1-CE1 3.49Å; V110-H114 WeakPolarHBondContact CG1-CE1 3.28Å; V110-H114 PolarHBondContact O-N 3.16Å; V110-H114 PolarHBondContact O-ND1 2.85Å; V110-R162 VanDerWaalsContact CG1-CZ 3.41Å |
| 111 | T | 93.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | -178.2 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | F47 Q58 G61 I62 S107 I108 T115 | F47-T111 HydrophobicContact CE1-CG2 4.45Å; F47-T111 HydrophobicContact CZ-CG2 3.97Å; Q58-T111 PolarHBondContact NE2-OG1 2.89Å; Q58-T111 PolarHBondContact OE1-OG1 3.39Å; G61-T111 VanDerWaalsContact C-CG2 3.47Å; I62-T111 HydrophobicContact CG1-CG2 4.47Å; S107-T111 WeakPolarHBondContact O-CB 3.34Å; S107-T111 PolarHBondContact O-N 2.74Å; S107-T111 PolarHBondContact O-OG1 2.78Å; I108-T111 PolarHBondContact O-N 3.29Å; T111-T115 WeakPolarHBondContact O-CB 3.23Å; T111-T115 PolarHBondContact O-N 3.05Å; T111-T115 PolarHBondContact O-OG1 3.08Å |
| 112 | A | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | F47 L100 L101 I108 R109 V110 T115 I116 | F47-A112 HydrophobicContact CE1-CB 4.29Å; F47-A112 HydrophobicContact CZ-CB 4.26Å; L100-A112 HydrophobicContact CB-CB 3.57Å; L100-A112 HydrophobicContact CD1-CB 4.36Å; L101-A112 HydrophobicContact CD2-CB 4.43Å; I108-A112 WeakPolarHBondContact O-CB 3.34Å; I108-A112 PolarHBondContact O-N 2.85Å; R109-A112 PolarHBondContact O-N 3.21Å; V110-A112 PolarHBondContact O-N 3.49Å; A112-T115 WeakPolarHBondContact O-CB 3.33Å; A112-T115 PolarHBondContact O-N 3.3Å; A112-I116 VanDerWaalsContact O-CG1 3.28Å; A112-I116 WeakPolarHBondContact O-CG1 3.23Å; A112-I116 PolarHBondContact O-N 3.07Å |
| 113 | A | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -51.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L101 R109 V110 T115 I116 T117 R162 V163 | L101-A113 HydrophobicContact CD2-CB 4.14Å; R109-A113 WeakPolarHBondContact O-CB 3.3Å; R109-A113 PolarHBondContact O-N 3.42Å; V110-A113 PolarHBondContact O-N 3.24Å; A113-T115 PolarHBondContact O-N 2.79Å; A113-I116 WeakPolarHBondContact O-CA 3.28Å; A113-I116 WeakPolarHBondContact O-CB 3.48Å; A113-I116 PolarHBondContact O-N 3.44Å; A113-T117 PolarHBondContact O-N 3.21Å; A113-T117 PolarHBondContact O-OG1 3.32Å; A113-T117 VanDerWaalsContact O-OG1 3.1Å; A113-R162 HydrophobicContact CB-CB 3.91Å; A113-R162 HydrophobicContact CB-CG 3.59Å; A113-V163 HydrophobicContact CB-CG2 3.73Å |
| 114 | H | 92.5 | Very high | 91.8 | Very high | 61 Ų | 61 | 30.7 Ų | 30.7 | 28% | 0.282 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.4 | -36.8 | 174.8 | -66.3 | 143.5 | 0 | 0 | 0 | 112.7 | K65 V110 T117 L118 R162 E166 | K65-H114 HydrophobicContact CD-CB 4.26Å; V110-H114 VanDerWaalsContact CG1-CE1 3.49Å; V110-H114 WeakPolarHBondContact CG1-CE1 3.28Å; V110-H114 PolarHBondContact O-N 3.16Å; V110-H114 PolarHBondContact O-ND1 2.85Å; H114-T117 PolarHBondContact O-N 3.36Å; H114-L118 WeakPolarHBondContact O-CB 3.24Å; H114-L118 PolarHBondContact O-N 3.47Å; H114-R162 PolarHBondContact CE1-NH2 2.94Å; H114-R162 PolarHBondContact NE2-NE 2.95Å; H114-R162 PolarHBondContact NE2-NH2 3.03Å; H114-E166 IonicContact CD2-OE1 3.82Å; H114-E166 PolarHBondContact CD2-OE1 3.36Å; H114-E166 IonicContact CD2-OE2 2.92Å; H114-E166 IonicContact NE2-OE1 3.12Å; H114-E166 PolarHBondContact NE2-OE1 2.97Å |
| 115 | T | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 177 | -55.9 | 0 | 0 | 0 | 0 | 111 | I68 M97 T111 A112 A113 I119 | I68-T115 HydrophobicContact CD1-CG2 3.36Å; M97-T115 HydrophobicContact CG-CG2 3.89Å; M97-T115 HydrophobicContact SD-CG2 3.87Å; T111-T115 WeakPolarHBondContact O-CB 3.23Å; T111-T115 PolarHBondContact O-N 3.05Å; T111-T115 PolarHBondContact O-OG1 3.08Å; A112-T115 WeakPolarHBondContact O-CB 3.33Å; A112-T115 PolarHBondContact O-N 3.3Å; A113-T115 PolarHBondContact O-N 2.79Å; T115-I119 HydrophobicContact CG2-CD1 4.16Å; T115-I119 WeakPolarHBondContact O-CD1 3.4Å; T115-I119 WeakPolarHBondContact O-CG1 3.46Å; T115-I119 PolarHBondContact O-N 3.46Å |
| 116 | I | 96 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 175.7 | -66.6 | 160.7 | 0 | 0 | 0 | 110.8 | M97 L98 L101 A112 A113 L118 I119 A120 W128 L131 V163 | M97-I116 HydrophobicContact CB-CD1 3.93Å; M97-I116 HydrophobicContact CB-CG1 3.53Å; M97-I116 HydrophobicContact CG-CG1 4.49Å; L98-I116 HydrophobicContact CD2-CD1 4.15Å; L101-I116 HydrophobicContact CD1-CD1 3.77Å; L101-I116 HydrophobicContact CD2-CD1 3.81Å; L101-I116 HydrophobicContact CG-CD1 3.81Å; A112-I116 VanDerWaalsContact O-CG1 3.28Å; A112-I116 WeakPolarHBondContact O-CG1 3.23Å; A112-I116 PolarHBondContact O-N 3.07Å; A113-I116 WeakPolarHBondContact O-CA 3.28Å; A113-I116 WeakPolarHBondContact O-CB 3.48Å; A113-I116 PolarHBondContact O-N 3.44Å; I116-L118 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 3.31Å; I116-I119 PolarHBondContact O-N 3.01Å; I116-A120 WeakPolarHBondContact O-CB 3.45Å; I116-A120 PolarHBondContact O-N 3.32Å; I116-W128 HydrophobicContact CG2-CH2 3.95Å; I116-W128 HydrophobicContact CG2-CZ3 4.08Å; I116-L131 HydrophobicContact CG2-CD1 4.01Å; I116-V163 HydrophobicContact CB-CG1 4.28Å; I116-V163 HydrophobicContact CB-CG2 4.03Å; I116-V163 HydrophobicContact CD1-CG2 4.06Å; I116-V163 HydrophobicContact CG2-CG1 3.56Å; I116-V163 HydrophobicContact CG2-CG2 4.09Å |
| 117 | T | 93.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57 | -48.3 | 176.3 | -53.8 | 0 | 0 | 0 | 0 | 111 | A113 H114 I119 A120 Q121 E166 V167 | A113-T117 PolarHBondContact O-N 3.21Å; A113-T117 PolarHBondContact O-OG1 3.32Å; A113-T117 VanDerWaalsContact O-OG1 3.1Å; H114-T117 PolarHBondContact O-N 3.36Å; T117-I119 VanDerWaalsContact C-N 3.31Å; T117-I119 PolarHBondContact O-N 3.09Å; T117-A120 WeakPolarHBondContact O-CB 3.41Å; T117-A120 PolarHBondContact O-N 3.06Å; T117-Q121 WeakPolarHBondContact O-CG 3.37Å; T117-Q121 PolarHBondContact O-N 2.85Å; T117-E166 WeakPolarHBondContact CB-OE2 3.48Å; T117-E166 HydrophobicContact CG2-CB 3.53Å; T117-E166 HydrophobicContact CG2-CG 4.48Å; T117-E166 WeakPolarHBondContact CG2-OE2 3.45Å; T117-E166 PolarHBondContact OG1-OE2 3.26Å; T117-V167 HydrophobicContact CG2-CG2 4.2Å |
| 118 | L | 93.1 | Very high | 91.8 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.8 | 179.9 | 63.5 | 0 | 0 | 0 | 112.4 | K65 I68 A69 H114 I116 H122 | K65-L118 HydrophobicContact CG-CD2 4.1Å; I68-L118 HydrophobicContact CB-CD2 4.04Å; I68-L118 HydrophobicContact CG2-CD2 3.71Å; I68-L118 HydrophobicContact CG2-CG 3.92Å; A69-L118 HydrophobicContact CB-CD2 4.04Å; H114-L118 WeakPolarHBondContact O-CB 3.24Å; H114-L118 PolarHBondContact O-N 3.47Å; I116-L118 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 3.31Å; L118-H122 PolarHBondContact O-CD2 3.28Å; L118-H122 VanDerWaalsContact O-CD2 3.27Å |
| 119 | I | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 174.5 | -65.9 | 165.9 | 0 | 0 | 0 | 110.4 | I68 W72 I93 R94 T115 I116 T117 Q121 H122 D123 W128 | I68-I119 HydrophobicContact CD1-CD1 4.01Å; I68-I119 HydrophobicContact CD1-CG1 4.14Å; I68-I119 HydrophobicContact CG2-CG1 4Å; W72-I119 HydrophobicContact CH2-CD1 3.7Å; W72-I119 HydrophobicContact CH2-CG1 3.86Å; W72-I119 HydrophobicContact CH2-CG2 4.35Å; W72-I119 HydrophobicContact CZ2-CB 4.22Å; W72-I119 HydrophobicContact CZ2-CD1 3.93Å; W72-I119 HydrophobicContact CZ2-CG1 3.69Å; W72-I119 HydrophobicContact CZ2-CG2 3.48Å; W72-I119 VanDerWaalsContact CZ2-CG2 3.48Å; W72-I119 HydrophobicContact CZ3-CD1 4.39Å; W72-I119 HydrophobicContact CZ3-CG1 4.4Å; I93-I119 HydrophobicContact CG2-CD1 3.97Å; R94-I119 HydrophobicContact CG-CG2 4.1Å; T115-I119 HydrophobicContact CG2-CD1 4.16Å; T115-I119 WeakPolarHBondContact O-CD1 3.4Å; T115-I119 WeakPolarHBondContact O-CG1 3.46Å; T115-I119 PolarHBondContact O-N 3.46Å; I116-I119 PolarHBondContact O-N 3.01Å; T117-I119 VanDerWaalsContact C-N 3.31Å; T117-I119 PolarHBondContact O-N 3.09Å; I119-Q121 VanDerWaalsContact C-N 3.33Å; I119-Q121 PolarHBondContact O-N 3.18Å; I119-H122 PolarHBondContact O-N 2.73Å; I119-H122 VanDerWaalsContact O-N 3.09Å; I119-D123 HydrophobicContact CG2-CB 4.21Å; I119-D123 WeakPolarHBondContact CG2-OD2 3.48Å; I119-D123 WeakPolarHBondContact O-CB 3.47Å; I119-D123 PolarHBondContact O-N 3.41Å; I119-W128 HydrophobicContact CB-CE3 4.49Å; I119-W128 HydrophobicContact CB-CZ3 3.99Å; I119-W128 HydrophobicContact CG2-CE3 3.63Å; I119-W128 HydrophobicContact CG2-CZ3 3.5Å; I119-W128 VanDerWaalsContact CG2-CZ3 3.5Å |
| 120 | A | 92.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I116 T117 H122 D123 W124 L131 V167 | I116-A120 WeakPolarHBondContact O-CB 3.45Å; I116-A120 PolarHBondContact O-N 3.32Å; T117-A120 WeakPolarHBondContact O-CB 3.41Å; T117-A120 PolarHBondContact O-N 3.06Å; A120-H122 PolarHBondContact O-N 3Å; A120-H122 VanDerWaalsContact O-N 3.15Å; A120-D123 PolarHBondContact O-N 3.4Å; A120-W124 HydrophobicContact CB-CB 4.38Å; A120-W124 VanDerWaalsContact O-CB 3.31Å; A120-W124 WeakPolarHBondContact O-CB 3.47Å; A120-W124 PolarHBondContact O-N 3.19Å; A120-L131 HydrophobicContact CB-CD2 3.55Å; A120-V167 HydrophobicContact CB-CG2 3.86Å |
| 121 | Q | 88.8 | Confident | 91.6 | Very high | 111 Ų | 111 | 39.5 Ų | 39.5 | 52% | 0.519 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58 | -25.1 | 173.9 | -73 | 176.5 | -21.8 | 0 | 0 | 113.6 | T117 I119 D170 | T117-Q121 WeakPolarHBondContact O-CG 3.37Å; T117-Q121 PolarHBondContact O-N 2.85Å; I119-Q121 VanDerWaalsContact C-N 3.33Å; I119-Q121 PolarHBondContact O-N 3.18Å; Q121-D170 PolarHBondContact NE2-OD2 3.11Å |
| 122 | H | 88.3 | Confident | 91.5 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 19% | 0.194 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -101.3 | -34.9 | 178.9 | -63.6 | -41.5 | 0 | 0 | 0 | 113.5 | S76 L118 I119 A120 | S76-H122 WeakPolarHBondContact CB-ND1 3.41Å; S76-H122 PolarHBondContact OG-ND1 3.44Å; S76-H122 VanDerWaalsContact OG-ND1 3.09Å; L118-H122 PolarHBondContact O-CD2 3.28Å; L118-H122 VanDerWaalsContact O-CD2 3.27Å; I119-H122 PolarHBondContact O-N 2.73Å; I119-H122 VanDerWaalsContact O-N 3.09Å; A120-H122 PolarHBondContact O-N 3Å; A120-H122 VanDerWaalsContact O-N 3.15Å |
| 123 | D | 91.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -106.9 | -21.9 | -168.5 | -72.3 | -16.6 | 0 | 0 | 0 | 113.8 | W72 R94 I119 A120 E126 M127 W128 | W72-D123 VanDerWaalsContact NE1-CG 3.3Å; W72-D123 PolarHBondContact NE1-OD1 2.85Å; W72-D123 PolarHBondContact NE1-OD2 3.08Å; R94-D123 IonicContact CZ-OD2 2.76Å; R94-D123 IonicContact NE-OD2 2.75Å; R94-D123 PolarHBondContact NE-OD2 3.34Å; R94-D123 VanDerWaalsContact NH2-CG 3.29Å; R94-D123 IonicContact NH2-OD1 2.93Å; R94-D123 IonicContact NH2-OD2 3.79Å; R94-D123 PolarHBondContact NH2-OD2 3.45Å; I119-D123 HydrophobicContact CG2-CB 4.21Å; I119-D123 WeakPolarHBondContact CG2-OD2 3.48Å; I119-D123 WeakPolarHBondContact O-CB 3.47Å; I119-D123 PolarHBondContact O-N 3.41Å; A120-D123 PolarHBondContact O-N 3.4Å; D123-E126 PolarHBondContact O-N 3.24Å; D123-M127 HydrophobicContact CB-CB 3.91Å; D123-M127 CarbonylContact O-C 3.59Å; D123-M127 VanDerWaalsContact O-CA 3.26Å; D123-M127 WeakPolarHBondContact O-CA 3.45Å; D123-M127 WeakPolarHBondContact O-CB 3.45Å; D123-M127 PolarHBondContact O-N 3.34Å; D123-W128 HydrophobicContact CB-CB 3.9Å; D123-W128 PolarHBondContact O-N 2.77Å |
| 124 | W | 88.1 | Confident | 91.2 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 137.8 | -179 | -171.3 | 87 | 0 | 0 | 0 | 110.1 | A120 L131 F132 L171 D175 V179 | A120-W124 HydrophobicContact CB-CB 4.38Å; A120-W124 VanDerWaalsContact O-CB 3.31Å; A120-W124 WeakPolarHBondContact O-CB 3.47Å; A120-W124 PolarHBondContact O-N 3.19Å; W124-L131 HydrophobicContact CB-CD2 4.22Å; W124-L131 HydrophobicContact CG-CD2 4.22Å; W124-F132 HydrophobicContact CD2-CD2 4.49Å; W124-F132 AromaticContact CD2-CE2 3.93Å; W124-F132 HydrophobicContact CD2-CE2 3.93Å; W124-F132 AromaticContact CE2-CD2 3.61Å; W124-F132 AromaticContact CE2-CE2 3.36Å; W124-F132 HydrophobicContact CE3-CE2 4.46Å; W124-F132 HydrophobicContact CH2-CE2 4.02Å; W124-F132 AromaticContact CZ2-CD2 3.75Å; W124-F132 HydrophobicContact CZ2-CD2 3.75Å; W124-F132 AromaticContact CZ2-CE2 3.42Å; W124-F132 HydrophobicContact CZ2-CE2 3.42Å; W124-F132 VanDerWaalsContact CZ2-CE2 3.42Å; W124-F132 AromaticContact NE1-CD2 3.44Å; W124-F132 AromaticContact NE1-CE2 3.65Å; W124-L171 HydrophobicContact CE3-CD2 4.25Å; W124-L171 HydrophobicContact CH2-CD2 3.29Å; W124-L171 HydrophobicContact CZ2-CD2 4.16Å; W124-L171 HydrophobicContact CZ3-CD2 3.36Å; W124-D175 HydrophobicContact CH2-CB 3.93Å; W124-V179 HydrophobicContact CZ2-CG2 4.12Å |
| 125 | P | 86.6 | Confident | 91.2 | Very high | 62 Ų | 62 | 44.2 Ų | 44.2 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.5 | -13.1 | 4.9 | 32.1 | -34.1 | 0 | 0 | 0 | 115.8 | P129 | P125-P129 WeakPolarHBondContact O-CA 3.46Å; P125-P129 WeakPolarHBondContact O-CB 3.28Å |
| 126 | E | 87.7 | Confident | 90.9 | Very high | 171 Ų | 171 | 44.6 Ų | 44.6 | 80% | 0.799 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -44.6 | -161.4 | -59.2 | 168 | 155.2 | 0 | 0 | 114.4 | D123 | D123-E126 PolarHBondContact O-N 3.24Š|
| 127 | M | 88.9 | Confident | 90.7 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 51% | 0.507 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -16.5 | -174.5 | -60.7 | -63.8 | -74.7 | 0 | 0 | 113.4 | D123 P129 | D123-M127 HydrophobicContact CB-CB 3.91Å; D123-M127 CarbonylContact O-C 3.59Å; D123-M127 VanDerWaalsContact O-CA 3.26Å; D123-M127 WeakPolarHBondContact O-CA 3.45Å; D123-M127 WeakPolarHBondContact O-CB 3.45Å; D123-M127 PolarHBondContact O-N 3.34Å; M127-P129 VanDerWaalsContact C-CD 3.5Å |
| 128 | W | 92 | Very high | 90.5 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | trans | -134.4 | 55.3 | 175.8 | -161.9 | 1.3 | 0 | 0 | 0 | 113.1 | R94 L98 I116 I119 D123 D130 L131 | R94-W128 HydrophobicContact CB-CH2 3.83Å; R94-W128 HydrophobicContact CB-CZ2 3.64Å; R94-W128 HydrophobicContact CB-CZ3 4.37Å; R94-W128 HydrophobicContact CG-CD2 4.01Å; R94-W128 HydrophobicContact CG-CE3 3.91Å; R94-W128 HydrophobicContact CG-CH2 3.81Å; R94-W128 HydrophobicContact CG-CZ2 3.92Å; R94-W128 HydrophobicContact CG-CZ3 3.82Å; L98-W128 HydrophobicContact CD1-CZ2 3.89Å; L98-W128 HydrophobicContact CG-CZ2 4.17Å; I116-W128 HydrophobicContact CG2-CH2 3.95Å; I116-W128 HydrophobicContact CG2-CZ3 4.08Å; I119-W128 HydrophobicContact CB-CE3 4.49Å; I119-W128 HydrophobicContact CB-CZ3 3.99Å; I119-W128 HydrophobicContact CG2-CE3 3.63Å; I119-W128 HydrophobicContact CG2-CZ3 3.5Å; I119-W128 VanDerWaalsContact CG2-CZ3 3.5Å; D123-W128 HydrophobicContact CB-CB 3.9Å; D123-W128 PolarHBondContact O-N 2.77Å; W128-D130 PolarHBondContact O-N 3.27Å; W128-D130 VanDerWaalsContact O-N 3.08Å; W128-L131 HydrophobicContact CD2-CB 4.07Å; W128-L131 HydrophobicContact CD2-CD1 4.09Å; W128-L131 HydrophobicContact CE3-CD1 4.12Å; W128-L131 HydrophobicContact CE3-CD2 4.44Å; W128-L131 HydrophobicContact CG-CB 4.07Å; W128-L131 HydrophobicContact CH2-CD1 3.83Å; W128-L131 HydrophobicContact CZ2-CD1 3.76Å; W128-L131 HydrophobicContact CZ3-CD1 3.98Å; W128-L131 WeakPolarHBondContact O-CB 3.37Å; W128-L131 PolarHBondContact O-N 2.93Å; W128-L131 VanDerWaalsContact O-N 3.07Å | ||
| 129 | P | 89.5 | Confident | 90.3 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.2 | -173.8 | 24.3 | -35.7 | 0 | 0 | 0 | 113.9 | P125 M127 L131 | P125-P129 WeakPolarHBondContact O-CA 3.46Å; P125-P129 WeakPolarHBondContact O-CB 3.28Å; M127-P129 VanDerWaalsContact C-CD 3.5Å; P129-L131 VanDerWaalsContact C-N 3.31Å; P129-L131 PolarHBondContact O-N 3.05Å |
| 130 | D | 90.6 | Very high | 89.8 | Confident | 88 Ų | 88 | 51.5 Ų | 51.5 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.7 | -179.4 | -70.6 | -45.5 | 0 | 0 | 0 | 114.5 | W128 F132 N133 Q134 | W128-D130 PolarHBondContact O-N 3.27Å; W128-D130 VanDerWaalsContact O-N 3.08Å; D130-F132 PolarHBondContact O-N 2.76Å; D130-N133 WeakPolarHBondContact O-CB 3.26Å; D130-N133 PolarHBondContact O-N 3.01Å; D130-Q134 HydrophobicContact CB-CG 4.35Å; D130-Q134 WeakPolarHBondContact O-CB 3.48Å; D130-Q134 VanDerWaalsContact O-CG 3.27Å; D130-Q134 WeakPolarHBondContact O-CG 3.37Å; D130-Q134 PolarHBondContact O-N 3.18Å |
| 131 | L | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.9 | -57.1 | -175.8 | 174 | 61 | 0 | 0 | 0 | 112.3 | I116 A120 W124 W128 P129 N133 Q134 L135 | I116-L131 HydrophobicContact CG2-CD1 4.01Å; A120-L131 HydrophobicContact CB-CD2 3.55Å; W124-L131 HydrophobicContact CB-CD2 4.22Å; W124-L131 HydrophobicContact CG-CD2 4.22Å; W128-L131 HydrophobicContact CD2-CB 4.07Å; W128-L131 HydrophobicContact CD2-CD1 4.09Å; W128-L131 HydrophobicContact CE3-CD1 4.12Å; W128-L131 HydrophobicContact CE3-CD2 4.44Å; W128-L131 HydrophobicContact CG-CB 4.07Å; W128-L131 HydrophobicContact CH2-CD1 3.83Å; W128-L131 HydrophobicContact CZ2-CD1 3.76Å; W128-L131 HydrophobicContact CZ3-CD1 3.98Å; W128-L131 WeakPolarHBondContact O-CB 3.37Å; W128-L131 PolarHBondContact O-N 2.93Å; W128-L131 VanDerWaalsContact O-N 3.07Å; P129-L131 VanDerWaalsContact C-N 3.31Å; P129-L131 PolarHBondContact O-N 3.05Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 3.2Å; L131-Q134 WeakPolarHBondContact O-CB 3.43Å; L131-Q134 PolarHBondContact O-N 3.46Å; L131-Q134 VanDerWaalsContact O-N 3.12Å; L131-L135 HydrophobicContact CD1-CD1 3.94Å; L131-L135 HydrophobicContact CD1-CG 4.08Å; L131-L135 HydrophobicContact CG-CD1 4.05Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3.5Å |
| 132 | F | 90.4 | Very high | 87.4 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | -179.5 | -76 | -71.4 | 0 | 0 | 0 | 112.6 | W124 D130 Q134 L135 I136 L164 V167 L171 V179 I183 | W124-F132 HydrophobicContact CD2-CD2 4.49Å; W124-F132 AromaticContact CD2-CE2 3.93Å; W124-F132 HydrophobicContact CD2-CE2 3.93Å; W124-F132 AromaticContact CE2-CD2 3.61Å; W124-F132 AromaticContact CE2-CE2 3.36Å; W124-F132 HydrophobicContact CE3-CE2 4.46Å; W124-F132 HydrophobicContact CH2-CE2 4.02Å; W124-F132 AromaticContact CZ2-CD2 3.75Å; W124-F132 HydrophobicContact CZ2-CD2 3.75Å; W124-F132 AromaticContact CZ2-CE2 3.42Å; W124-F132 HydrophobicContact CZ2-CE2 3.42Å; W124-F132 VanDerWaalsContact CZ2-CE2 3.42Å; W124-F132 AromaticContact NE1-CD2 3.44Å; W124-F132 AromaticContact NE1-CE2 3.65Å; D130-F132 PolarHBondContact O-N 2.76Å; F132-Q134 VanDerWaalsContact C-N 3.32Å; F132-Q134 PolarHBondContact O-N 3.49Å; F132-L135 PolarHBondContact O-N 3.15Å; F132-I136 WeakPolarHBondContact O-CB 3.41Å; F132-I136 WeakPolarHBondContact O-CD1 3.46Å; F132-I136 VanDerWaalsContact O-CG1 3.27Å; F132-I136 WeakPolarHBondContact O-CG1 3.42Å; F132-I136 PolarHBondContact O-N 3.42Å; F132-L164 HydrophobicContact CD1-CD2 3.71Å; F132-L164 HydrophobicContact CE1-CD2 3.67Å; F132-V167 HydrophobicContact CE1-CG1 4.46Å; F132-V167 HydrophobicContact CE2-CG1 4.32Å; F132-V167 HydrophobicContact CZ-CG1 3.69Å; F132-L171 HydrophobicContact CE2-CD2 3.99Å; F132-L171 HydrophobicContact CZ-CD1 4.26Å; F132-L171 HydrophobicContact CZ-CD2 3.88Å; F132-V179 HydrophobicContact CB-CG1 4.5Å; F132-V179 HydrophobicContact CD1-CG1 3.94Å; F132-V179 HydrophobicContact CD2-CG1 4.03Å; F132-V179 HydrophobicContact CD2-CG2 4.2Å; F132-V179 HydrophobicContact CE1-CG1 4.07Å; F132-V179 HydrophobicContact CE2-CG1 4.18Å; F132-V179 HydrophobicContact CE2-CG2 4.44Å; F132-V179 HydrophobicContact CG-CG1 3.9Å; F132-V179 HydrophobicContact CZ-CG1 4.19Å; F132-I183 HydrophobicContact CD1-CD1 3.36Å; F132-I183 HydrophobicContact CD1-CG1 4.43Å; F132-I183 HydrophobicContact CE1-CD1 3.57Å; F132-I183 HydrophobicContact CG-CD1 4.26Å |
| 133 | N | 89.8 | Confident | 85.7 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 175 | -72.4 | -34.1 | 0 | 0 | 0 | 111.7 | D130 L131 A137 | D130-N133 WeakPolarHBondContact O-CB 3.26Å; D130-N133 PolarHBondContact O-N 3.01Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 3.2Å; N133-A137 VanDerWaalsContact O-CB 3.25Å; N133-A137 WeakPolarHBondContact O-CB 3.3Å; N133-A137 PolarHBondContact O-N 3.32Å |
| 134 | Q | 92.5 | Very high | 83.6 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 33% | 0.327 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 177.5 | -70.8 | 170 | -3.6 | 0 | 0 | 111.3 | L98 D130 L131 F132 A137 L138 | L98-Q134 HydrophobicContact CD1-CB 4.04Å; L98-Q134 HydrophobicContact CD1-CG 4.49Å; D130-Q134 HydrophobicContact CB-CG 4.35Å; D130-Q134 WeakPolarHBondContact O-CB 3.48Å; D130-Q134 VanDerWaalsContact O-CG 3.27Å; D130-Q134 WeakPolarHBondContact O-CG 3.37Å; D130-Q134 PolarHBondContact O-N 3.18Å; L131-Q134 WeakPolarHBondContact O-CB 3.43Å; L131-Q134 PolarHBondContact O-N 3.46Å; L131-Q134 VanDerWaalsContact O-N 3.12Å; F132-Q134 VanDerWaalsContact C-N 3.32Å; F132-Q134 PolarHBondContact O-N 3.49Å; Q134-A137 PolarHBondContact O-N 2.9Å; Q134-L138 WeakPolarHBondContact O-CG 3.44Å; Q134-L138 PolarHBondContact O-N 2.94Å |
| 135 | L | 93 | Very high | 81.7 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.7 | -67.9 | 176.3 | 0 | 0 | 0 | 111.7 | L98 L101 L131 F132 A137 L138 I139 V160 V163 L164 | L98-L135 HydrophobicContact CD2-CD2 3.78Å; L101-L135 HydrophobicContact CD1-CD2 3.98Å; L131-L135 HydrophobicContact CD1-CD1 3.94Å; L131-L135 HydrophobicContact CD1-CG 4.08Å; L131-L135 HydrophobicContact CG-CD1 4.05Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3.5Å; F132-L135 PolarHBondContact O-N 3.15Å; L135-A137 VanDerWaalsContact C-N 3.35Å; L135-A137 PolarHBondContact O-N 3.48Å; L135-L138 WeakPolarHBondContact O-CB 3.16Å; L135-L138 PolarHBondContact O-N 2.97Å; L135-I139 PolarHBondContact O-N 2.96Å; L135-I139 VanDerWaalsContact O-N 3.12Å; L135-V160 HydrophobicContact CB-CG1 3.82Å; L135-V160 HydrophobicContact CD2-CG1 4.06Å; L135-V160 HydrophobicContact CD2-CG2 4.31Å; L135-V160 HydrophobicContact CG-CG1 4.44Å; L135-V163 HydrophobicContact CD1-CB 4.35Å; L135-V163 HydrophobicContact CD1-CG1 3.74Å; L135-V163 HydrophobicContact CD2-CB 4.35Å; L135-V163 HydrophobicContact CD2-CG1 4.24Å; L135-L164 HydrophobicContact CB-CD2 4.4Å; L135-L164 HydrophobicContact CD1-CD2 3.71Å; L135-L164 HydrophobicContact CD1-CG 4.29Å |
| 136 | I | 90 | Very high | 80 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.2 | -68 | 160.1 | 0 | 0 | 0 | 111.2 | F132 L138 I139 R140 F182 I183 E186 | F132-I136 WeakPolarHBondContact O-CB 3.41Å; F132-I136 WeakPolarHBondContact O-CD1 3.46Å; F132-I136 VanDerWaalsContact O-CG1 3.27Å; F132-I136 WeakPolarHBondContact O-CG1 3.42Å; F132-I136 PolarHBondContact O-N 3.42Å; I136-L138 VanDerWaalsContact C-N 3.29Å; I136-L138 PolarHBondContact O-N 3.48Å; I136-I139 WeakPolarHBondContact O-CB 3.23Å; I136-I139 PolarHBondContact O-N 3.13Å; I136-I139 VanDerWaalsContact O-N 3.16Å; I136-R140 HydrophobicContact CG2-CG 4.42Å; I136-R140 WeakPolarHBondContact O-CG 3.32Å; I136-R140 PolarHBondContact O-N 2.95Å; I136-F182 HydrophobicContact CD1-CB 3.67Å; I136-I183 HydrophobicContact CD1-CG1 3.88Å; I136-I183 HydrophobicContact CG1-CG1 4.38Å; I136-E186 HydrophobicContact CG2-CG 4.46Å |
| 137 | A | 90.3 | Very high | 78.2 | Confident | 41 Ų | 41 | 70.3 Ų | 70.3 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N133 Q134 L135 I139 R140 Q141 | N133-A137 VanDerWaalsContact O-CB 3.25Å; N133-A137 WeakPolarHBondContact O-CB 3.3Å; N133-A137 PolarHBondContact O-N 3.32Å; Q134-A137 PolarHBondContact O-N 2.9Å; L135-A137 VanDerWaalsContact C-N 3.35Å; L135-A137 PolarHBondContact O-N 3.48Å; A137-I139 VanDerWaalsContact C-N 3.34Å; A137-I139 PolarHBondContact O-N 3.4Å; A137-R140 PolarHBondContact O-N 2.87Å; A137-Q141 WeakPolarHBondContact O-CB 3.42Å; A137-Q141 VanDerWaalsContact O-CG 3.25Å; A137-Q141 WeakPolarHBondContact O-CG 3.45Å; A137-Q141 PolarHBondContact O-N 2.92Å |
| 138 | L | 89.9 | Confident | 76.5 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 13% | 0.131 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 174.8 | -71.6 | 173 | 0 | 0 | 0 | 112.6 | L98 L101 Q134 L135 I136 R140 P142 T156 V160 | L98-L138 HydrophobicContact CB-CD1 4.37Å; L98-L138 HydrophobicContact CD2-CD1 4.03Å; L101-L138 HydrophobicContact CD1-CD1 4.14Å; Q134-L138 WeakPolarHBondContact O-CG 3.44Å; Q134-L138 PolarHBondContact O-N 2.94Å; L135-L138 WeakPolarHBondContact O-CB 3.16Å; L135-L138 PolarHBondContact O-N 2.97Å; I136-L138 VanDerWaalsContact C-N 3.29Å; I136-L138 PolarHBondContact O-N 3.48Å; L138-R140 VanDerWaalsContact C-N 3.33Å; L138-P142 WeakPolarHBondContact O-CD 3.22Å; L138-T156 HydrophobicContact CB-CG2 3.91Å; L138-T156 HydrophobicContact CD2-CG2 4.47Å; L138-V160 HydrophobicContact CB-CG2 3.76Å; L138-V160 HydrophobicContact CD1-CG2 4Å |
| 139 | I | 87.6 | Confident | 75.1 | Confident | 4 Ų | 4 | 77.5 Ų | 77.5 | 2% | 0.021 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.3 | -37 | 173.2 | -67.7 | 168.8 | 0 | 0 | 0 | 111.3 | L135 I136 A137 P142 V160 L164 E186 I190 | L135-I139 PolarHBondContact O-N 2.96Å; L135-I139 VanDerWaalsContact O-N 3.12Å; I136-I139 WeakPolarHBondContact O-CB 3.23Å; I136-I139 PolarHBondContact O-N 3.13Å; I136-I139 VanDerWaalsContact O-N 3.16Å; A137-I139 VanDerWaalsContact C-N 3.34Å; A137-I139 PolarHBondContact O-N 3.4Å; I139-P142 WeakPolarHBondContact O-CD 3.36Å; I139-V160 HydrophobicContact CD1-CB 4.47Å; I139-V160 HydrophobicContact CD1-CG1 3.61Å; I139-V160 HydrophobicContact CG1-CB 4.14Å; I139-V160 HydrophobicContact CG1-CG1 3.72Å; I139-L164 HydrophobicContact CD1-CD1 4.03Å; I139-E186 HydrophobicContact CG2-CB 4.41Å; I139-I190 HydrophobicContact CD1-CD1 4.41Å; I139-I190 HydrophobicContact CG2-CD1 4.15Å |
| 140 | R | 85.1 | Confident | 74.2 | Confident | 113 Ų | 113 | 78.8 Ų | 78.8 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -88.6 | -26.9 | -174.7 | -70.6 | 179.5 | 173.5 | 161.3 | 5.5 | 115.3 | I136 A137 L138 P142 C143 E186 | I136-R140 HydrophobicContact CG2-CG 4.42Å; I136-R140 WeakPolarHBondContact O-CG 3.32Å; I136-R140 PolarHBondContact O-N 2.95Å; A137-R140 PolarHBondContact O-N 2.87Å; L138-R140 VanDerWaalsContact C-N 3.33Å; R140-P142 VanDerWaalsContact C-N 3.32Å; R140-C143 WeakPolarHBondContact O-CB 3.31Å; R140-C143 PolarHBondContact O-N 3.33Å; R140-C143 PolarHBondContact O-SG 3.3Å; R140-E186 IonicContact CZ-OE1 3.57Å; R140-E186 VanDerWaalsContact CZ-OE1 3.29Å; R140-E186 IonicContact NE-OE1 3.77Å; R140-E186 PolarHBondContact NE-OE1 3.16Å; R140-E186 IonicContact NH2-OE1 3.11Å; R140-E186 PolarHBondContact NH2-OE1 3.16Å |
| 141 | Q | 72.6 | Confident | 73.6 | Confident | 125 Ų | 125 | 80.1 Ų | 80.1 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -52.1 | -39.6 | -179 | -88.3 | 176 | 13.8 | 0 | 0 | 114.6 | A137 C143 | A137-Q141 WeakPolarHBondContact O-CB 3.42Å; A137-Q141 VanDerWaalsContact O-CG 3.25Å; A137-Q141 WeakPolarHBondContact O-CG 3.45Å; A137-Q141 PolarHBondContact O-N 2.92Å; Q141-C143 PolarHBondContact O-N 2.91Å |
| 142 | P | 57.7 | Low | 73.1 | Confident | 34 Ų | 34 | 84.1 Ų | 84.1 | 22% | 0.221 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -74.6 | -11.6 | -176.7 | -14 | 29.4 | 0 | 0 | 0 | 114.5 | L138 I139 R140 M144 V153 | L138-P142 WeakPolarHBondContact O-CD 3.22Å; I139-P142 WeakPolarHBondContact O-CD 3.36Å; R140-P142 VanDerWaalsContact C-N 3.32Å; P142-M144 PolarHBondContact O-N 3.4Å; P142-V153 HydrophobicContact CB-CB 3.83Å; P142-V153 HydrophobicContact CB-CG1 3.53Å; P142-V153 HydrophobicContact CB-CG2 3.3Å; P142-V153 HydrophobicContact CG-CB 4.26Å; P142-V153 HydrophobicContact CG-CG1 3.88Å; P142-V153 HydrophobicContact CG-CG2 4.16Å |
| 143 | C | 52.4 | Low | 72.8 | Confident | 81 Ų | 81 | 84.9 Ų | 84.9 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -68.7 | -13.7 | 179.1 | -44.6 | 0 | 0 | 0 | 0 | 113.5 | R140 Q141 | R140-C143 WeakPolarHBondContact O-CB 3.31Å; R140-C143 PolarHBondContact O-N 3.33Å; R140-C143 PolarHBondContact O-SG 3.3Å; Q141-C143 PolarHBondContact O-N 2.91Å |
| 144 | M | 49.4 | Very low | 72.6 | Confident | 163 Ų | 163 | 84.2 Ų | 84.2 | 80% | 0.803 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -103.9 | -10.1 | -170.1 | -66.3 | -68.5 | 177.9 | 0 | 0 | 114.6 | P142 | P142-M144 PolarHBondContact O-N 3.4Š|
| 145 | N | 47.9 | Very low | 72.4 | Confident | 133 Ų | 133 | 82.4 Ų | 82.4 | 71% | 0.711 | 43% | 0.434 | S | S | * | . | trans | -116.6 | 99 | -175.5 | -80.1 | -23.2 | 0 | 0 | 0 | 112 | N147 | N145-N147 PolarHBondContact O-N 2.87Š| ||
| 146 | N | 49.4 | Very low | 72.3 | Confident | 166 Ų | 166 | 82.9 Ų | 82.9 | 89% | 0.888 | 44% | 0.437 | S | S | * | . | trans | -64.7 | 21.5 | -179.3 | -90.3 | -20.7 | 0 | 0 | 0 | 116.7 | ||||
| 147 | N | 51 | Low | 72.3 | Confident | 128 Ų | 128 | 82.5 Ų | 82.5 | 68% | 0.684 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -120.1 | 109.5 | -173.6 | -72.1 | -20.2 | 0 | 0 | 0 | 111.7 | N145 N149 | N145-N147 PolarHBondContact O-N 2.87Å; N147-N149 PolarHBondContact O-N 3.36Å |
| 148 | N | 53.2 | Low | 72.3 | Confident | 168 Ų | 168 | 81 Ų | 81 | 90% | 0.898 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 32.5 | 11.7 | 154.9 | -71.5 | -2.9 | 0 | 0 | 0 | 122 | N150 | N148-N150 PolarHBondContact O-N 2.85Š|
| 149 | N | 62.1 | Low | 72.3 | Confident | 99 Ų | 99 | 79.9 Ų | 79.9 | 53% | 0.529 | 42% | 0.415 | S | S | . | . | trans | -99.1 | 31.8 | -174.9 | -77.3 | -3.5 | 0 | 0 | 0 | 113 | N147 D151 I152 V153 | N147-N149 PolarHBondContact O-N 3.36Å; N149-D151 PolarHBondContact O-N 3.41Å; N149-D151 VanDerWaalsContact O-N 3.11Å; N149-I152 HydrophobicContact CB-CB 4.43Å; N149-I152 HydrophobicContact CB-CD1 4.21Å; N149-I152 PolarHBondContact O-N 3.2Å; N149-V153 VanDerWaalsContact O-CG2 3.29Å; N149-V153 WeakPolarHBondContact O-CG2 3.32Å; N149-V153 PolarHBondContact O-N 3.48Å | ||
| 150 | N | 71.1 | Confident | 72.6 | Confident | 107 Ų | 107 | 79.7 Ų | 79.7 | 57% | 0.572 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -53.5 | -35.6 | -176.2 | -76.4 | -4.8 | 0 | 0 | 0 | 112.7 | N148 V153 K154 | N148-N150 PolarHBondContact O-N 2.85Å; N150-V153 WeakPolarHBondContact O-CB 3.44Å; N150-V153 PolarHBondContact O-N 3.33Å; N150-K154 VanDerWaalsContact O-CG 3.25Å; N150-K154 WeakPolarHBondContact O-CG 3.36Å; N150-K154 PolarHBondContact O-N 3.41Å |
| 151 | D | 78.2 | Confident | 73 | Confident | 116 Ų | 116 | 74.3 Ų | 74.3 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.4 | -39.2 | -179.8 | -61.4 | -25.6 | 0 | 0 | 0 | 112.4 | N149 V153 K154 N155 | N149-D151 PolarHBondContact O-N 3.41Å; N149-D151 VanDerWaalsContact O-N 3.11Å; D151-V153 VanDerWaalsContact C-N 3.31Å; D151-V153 PolarHBondContact O-N 2.92Å; D151-K154 PolarHBondContact O-N 3.23Å; D151-N155 WeakPolarHBondContact O-CB 3.42Å; D151-N155 PolarHBondContact O-N 3.09Å; D151-N155 PolarHBondContact O-ND2 2.98Å; D151-N155 VanDerWaalsContact O-ND2 3.07Å |
| 152 | I | 81.9 | Confident | 73.8 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 43% | 0.431 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.8 | -59.3 | 176.5 | 0 | 0 | 0 | 109.6 | A102 N149 K154 N155 T156 | A102-I152 HydrophobicContact CB-CG2 4.47Å; N149-I152 HydrophobicContact CB-CB 4.43Å; N149-I152 HydrophobicContact CB-CD1 4.21Å; N149-I152 PolarHBondContact O-N 3.2Å; I152-K154 PolarHBondContact O-N 3.39Å; I152-N155 PolarHBondContact O-N 2.96Å; I152-T156 WeakPolarHBondContact O-CB 3.26Å; I152-T156 PolarHBondContact O-N 3.28Å; I152-T156 PolarHBondContact O-OG1 3.46Å |
| 153 | V | 83.2 | Confident | 75.6 | Confident | 28 Ų | 28 | 67 Ų | 67 | 17% | 0.17 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 111 | P142 N149 N150 D151 T156 V157 | P142-V153 HydrophobicContact CB-CB 3.83Å; P142-V153 HydrophobicContact CB-CG1 3.53Å; P142-V153 HydrophobicContact CB-CG2 3.3Å; P142-V153 HydrophobicContact CG-CB 4.26Å; P142-V153 HydrophobicContact CG-CG1 3.88Å; P142-V153 HydrophobicContact CG-CG2 4.16Å; N149-V153 VanDerWaalsContact O-CG2 3.29Å; N149-V153 WeakPolarHBondContact O-CG2 3.32Å; N149-V153 PolarHBondContact O-N 3.48Å; N150-V153 WeakPolarHBondContact O-CB 3.44Å; N150-V153 PolarHBondContact O-N 3.33Å; D151-V153 VanDerWaalsContact C-N 3.31Å; D151-V153 PolarHBondContact O-N 2.92Å; V153-T156 PolarHBondContact O-N 3.32Å; V153-V157 WeakPolarHBondContact O-CG2 3.33Å; V153-V157 PolarHBondContact O-N 3.49Å |
| 154 | K | 85.7 | Confident | 77.6 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | -180 | -69.6 | 174.1 | -170.6 | -142.7 | 0 | 111.4 | N150 D151 I152 V157 H158 T196 | N150-K154 VanDerWaalsContact O-CG 3.25Å; N150-K154 WeakPolarHBondContact O-CG 3.36Å; N150-K154 PolarHBondContact O-N 3.41Å; D151-K154 PolarHBondContact O-N 3.23Å; I152-K154 PolarHBondContact O-N 3.39Å; K154-V157 PolarHBondContact O-N 2.79Å; K154-H158 WeakPolarHBondContact O-CB 3.35Å; K154-H158 PolarHBondContact O-N 3.32Å; K154-T196 WeakPolarHBondContact CE-O 3.47Å; K154-T196 PolarHBondContact NZ-O 3.03Å |
| 155 | N | 87.6 | Confident | 79.6 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 179 | -70.1 | -25.1 | 0 | 0 | 0 | 111.9 | L101 R109 D151 I152 H158 G159 | L101-N155 CarbonylContact O-C 3.59Å; L101-N155 VanDerWaalsContact O-O 3.1Å; R109-N155 VanDerWaalsContact CD-O 3.28Å; R109-N155 WeakPolarHBondContact CD-O 3.21Å; R109-N155 VanDerWaalsContact NH1-CG 3.31Å; R109-N155 PolarHBondContact NH1-OD1 3.42Å; R109-N155 VanDerWaalsContact NH1-OD1 3.07Å; D151-N155 WeakPolarHBondContact O-CB 3.42Å; D151-N155 PolarHBondContact O-N 3.09Å; D151-N155 PolarHBondContact O-ND2 2.98Å; D151-N155 VanDerWaalsContact O-ND2 3.07Å; I152-N155 PolarHBondContact O-N 2.96Å; N155-H158 PolarHBondContact O-N 2.64Å; N155-G159 PolarHBondContact O-N 3.34Å |
| 156 | T | 90.9 | Very high | 81.5 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 177 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | L101 A102 L138 I152 V153 H158 G159 V160 | L101-T156 WeakPolarHBondContact O-CA 3.42Å; A102-T156 WeakPolarHBondContact CA-OG1 3.32Å; A102-T156 VanDerWaalsContact CB-OG1 3.24Å; A102-T156 WeakPolarHBondContact CB-OG1 3.43Å; L138-T156 HydrophobicContact CB-CG2 3.91Å; L138-T156 HydrophobicContact CD2-CG2 4.47Å; I152-T156 WeakPolarHBondContact O-CB 3.26Å; I152-T156 PolarHBondContact O-N 3.28Å; I152-T156 PolarHBondContact O-OG1 3.46Å; V153-T156 PolarHBondContact O-N 3.32Å; T156-H158 PolarHBondContact O-N 3.08Å; T156-G159 PolarHBondContact O-N 2.68Å; T156-V160 HydrophobicContact CG2-CG2 4.33Å; T156-V160 VanDerWaalsContact O-CG2 3.29Å; T156-V160 WeakPolarHBondContact O-CG2 3.44Å; T156-V160 PolarHBondContact O-N 2.82Å |
| 157 | V | 91.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | -179.8 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | V153 K154 G159 V160 L161 I190 Y197 T201 | V153-V157 WeakPolarHBondContact O-CG2 3.33Å; V153-V157 PolarHBondContact O-N 3.49Å; K154-V157 PolarHBondContact O-N 2.79Å; V157-G159 PolarHBondContact O-N 3Å; V157-V160 PolarHBondContact O-N 3.43Å; V157-L161 HydrophobicContact CG1-CD1 4.05Å; V157-L161 HydrophobicContact CG1-CG 4.41Å; V157-L161 WeakPolarHBondContact O-CB 3.43Å; V157-L161 PolarHBondContact O-N 2.64Å; V157-I190 HydrophobicContact CG1-CD1 3.7Å; V157-I190 HydrophobicContact CG1-CG1 4.13Å; V157-I190 HydrophobicContact CG1-CG2 4.3Å; V157-Y197 HydrophobicContact CB-CD1 4.43Å; V157-Y197 HydrophobicContact CB-CE1 3.78Å; V157-Y197 HydrophobicContact CG1-CD1 4.08Å; V157-Y197 HydrophobicContact CG1-CE1 3.64Å; V157-Y197 HydrophobicContact CG2-CE1 3.82Å; V157-T201 HydrophobicContact CG1-CG2 3.94Å |
| 158 | H | 89.4 | Confident | 85.4 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 174.1 | 174.7 | -69.3 | 0 | 0 | 0 | 111.8 | K154 N155 T156 R162 S322 | K154-H158 WeakPolarHBondContact O-CB 3.35Å; K154-H158 PolarHBondContact O-N 3.32Å; N155-H158 PolarHBondContact O-N 2.64Å; T156-H158 PolarHBondContact O-N 3.08Å; H158-R162 PolarHBondContact O-N 3.08Å; H158-S322 VanDerWaalsContact NE2-CB 3.33Å; H158-S322 WeakPolarHBondContact NE2-CB 3.42Å |
| 159 | G | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N155 T156 V157 R162 V163 | N155-G159 PolarHBondContact O-N 3.34Å; T156-G159 PolarHBondContact O-N 2.68Å; V157-G159 PolarHBondContact O-N 3Å; G159-R162 PolarHBondContact O-N 3.42Å; G159-V163 PolarHBondContact O-N 3.21Å |
| 160 | V | 94 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L101 L135 L138 I139 T156 V157 R162 V163 L164 | L101-V160 HydrophobicContact CD1-CG2 3.84Å; L135-V160 HydrophobicContact CB-CG1 3.82Å; L135-V160 HydrophobicContact CD2-CG1 4.06Å; L135-V160 HydrophobicContact CD2-CG2 4.31Å; L135-V160 HydrophobicContact CG-CG1 4.44Å; L138-V160 HydrophobicContact CB-CG2 3.76Å; L138-V160 HydrophobicContact CD1-CG2 4Å; I139-V160 HydrophobicContact CD1-CB 4.47Å; I139-V160 HydrophobicContact CD1-CG1 3.61Å; I139-V160 HydrophobicContact CG1-CB 4.14Å; I139-V160 HydrophobicContact CG1-CG1 3.72Å; T156-V160 HydrophobicContact CG2-CG2 4.33Å; T156-V160 VanDerWaalsContact O-CG2 3.29Å; T156-V160 WeakPolarHBondContact O-CG2 3.44Å; T156-V160 PolarHBondContact O-N 2.82Å; V157-V160 PolarHBondContact O-N 3.43Å; V160-R162 PolarHBondContact O-N 2.95Å; V160-V163 PolarHBondContact O-N 3.02Å; V160-V163 VanDerWaalsContact O-N 3.16Å; V160-L164 HydrophobicContact CG1-CD1 3.89Å; V160-L164 HydrophobicContact CG1-CG 4.13Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 3.48Å |
| 161 | L | 92.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -32.7 | 179.5 | -84.3 | 176.8 | 0 | 0 | 0 | 112.3 | V157 L164 T165 L187 I190 T201 R204 A205 | V157-L161 HydrophobicContact CG1-CD1 4.05Å; V157-L161 HydrophobicContact CG1-CG 4.41Å; V157-L161 WeakPolarHBondContact O-CB 3.43Å; V157-L161 PolarHBondContact O-N 2.64Å; L161-L164 HydrophobicContact CD2-CD1 4.33Å; L161-L164 PolarHBondContact O-N 2.67Å; L161-T165 PolarHBondContact O-N 3.5Å; L161-T165 PolarHBondContact O-OG1 2.91Å; L161-L187 HydrophobicContact CD2-CD2 3.35Å; L161-I190 HydrophobicContact CD1-CD1 4.16Å; L161-I190 HydrophobicContact CD1-CG2 3.9Å; L161-I190 HydrophobicContact CD2-CD1 4.41Å; L161-I190 HydrophobicContact CG-CD1 4.38Å; L161-T201 HydrophobicContact CD1-CG2 3.54Å; L161-T201 WeakPolarHBondContact CD1-O 3.18Å; L161-R204 HydrophobicContact CB-CB 4.27Å; L161-A205 HydrophobicContact CD1-CB 4.22Å; L161-A205 HydrophobicContact CD2-CB 4.35Å |
| 162 | R | 90.9 | Very high | 89 | Confident | 5 Ų | 5 | 25 Ų | 25 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 173.4 | -178.9 | 165.2 | -169.5 | 135 | 15.1 | 113.1 | V110 A113 H114 H158 G159 V160 L164 T165 E166 R204 D323 | V110-R162 VanDerWaalsContact CG1-CZ 3.41Å; A113-R162 HydrophobicContact CB-CB 3.91Å; A113-R162 HydrophobicContact CB-CG 3.59Å; H114-R162 PolarHBondContact CE1-NH2 2.94Å; H114-R162 PolarHBondContact NE2-NE 2.95Å; H114-R162 PolarHBondContact NE2-NH2 3.03Å; H158-R162 PolarHBondContact O-N 3.08Å; G159-R162 PolarHBondContact O-N 3.42Å; V160-R162 PolarHBondContact O-N 2.95Å; R162-L164 VanDerWaalsContact C-N 3.32Å; R162-L164 PolarHBondContact O-N 3.42Å; R162-T165 PolarHBondContact O-N 2.84Å; R162-E166 WeakPolarHBondContact CG-OE1 3.45Å; R162-E166 IonicContact NE-OE1 2.84Å; R162-E166 PolarHBondContact NE-OE1 3.12Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.95Å; R162-R204 VanDerWaalsContact CB-NH1 3.26Å; R162-R204 VanDerWaalsContact CG-NH1 3.26Å; R162-D323 VanDerWaalsContact CZ-CG 3.49Å; R162-D323 IonicContact CZ-OD1 3.36Å; R162-D323 IonicContact CZ-OD2 2.71Å; R162-D323 VanDerWaalsContact NH1-CG 3.3Å; R162-D323 IonicContact NH1-OD1 3.61Å; R162-D323 PolarHBondContact NH1-OD1 2.95Å; R162-D323 IonicContact NH1-OD2 3.56Å; R162-D323 IonicContact NH2-OD1 3.36Å; R162-D323 PolarHBondContact NH2-OD1 3.37Å; R162-D323 IonicContact NH2-OD2 3.53Å; R162-D323 PolarHBondContact NH2-OD2 3.48Å |
| 163 | V | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | L101 A113 I116 L135 G159 V160 T165 E166 V167 | L101-V163 HydrophobicContact CD1-CG2 4.32Å; L101-V163 HydrophobicContact CD2-CG2 4.17Å; A113-V163 HydrophobicContact CB-CG2 3.73Å; I116-V163 HydrophobicContact CB-CG1 4.28Å; I116-V163 HydrophobicContact CB-CG2 4.03Å; I116-V163 HydrophobicContact CD1-CG2 4.06Å; I116-V163 HydrophobicContact CG2-CG1 3.56Å; I116-V163 HydrophobicContact CG2-CG2 4.09Å; L135-V163 HydrophobicContact CD1-CB 4.35Å; L135-V163 HydrophobicContact CD1-CG1 3.74Å; L135-V163 HydrophobicContact CD2-CB 4.35Å; L135-V163 HydrophobicContact CD2-CG1 4.24Å; G159-V163 PolarHBondContact O-N 3.21Å; V160-V163 PolarHBondContact O-N 3.02Å; V160-V163 VanDerWaalsContact O-N 3.16Å; V163-T165 PolarHBondContact O-N 3.44Å; V163-E166 PolarHBondContact O-N 3.42Å; V163-V167 HydrophobicContact CG1-CG2 4.02Å; V163-V167 WeakPolarHBondContact O-CB 3.49Å; V163-V167 VanDerWaalsContact O-CG2 3.28Å; V163-V167 WeakPolarHBondContact O-CG2 3.27Å; V163-V167 PolarHBondContact O-N 3.25Å |
| 164 | L | 93.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | -178.9 | -70.6 | 177.7 | 0 | 0 | 0 | 112.7 | F132 L135 I139 V160 L161 R162 S168 I183 T208 | F132-L164 HydrophobicContact CD1-CD2 3.71Å; F132-L164 HydrophobicContact CE1-CD2 3.67Å; L135-L164 HydrophobicContact CB-CD2 4.4Å; L135-L164 HydrophobicContact CD1-CD2 3.71Å; L135-L164 HydrophobicContact CD1-CG 4.29Å; I139-L164 HydrophobicContact CD1-CD1 4.03Å; V160-L164 HydrophobicContact CG1-CD1 3.89Å; V160-L164 HydrophobicContact CG1-CG 4.13Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 3.48Å; L161-L164 HydrophobicContact CD2-CD1 4.33Å; L161-L164 PolarHBondContact O-N 2.67Å; R162-L164 VanDerWaalsContact C-N 3.32Å; R162-L164 PolarHBondContact O-N 3.42Å; L164-S168 WeakPolarHBondContact O-CB 3.3Å; L164-S168 PolarHBondContact O-N 3.31Å; L164-S168 PolarHBondContact O-OG 2.73Å; L164-I183 HydrophobicContact CD2-CD1 4.13Å; L164-T208 HydrophobicContact CB-CG2 4.18Å |
| 165 | T | 91.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 25.5 Ų | 25.5 | 11% | 0.11 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60 | -49.1 | 176.4 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | L161 R162 V163 S168 R204 I207 T208 N211 | L161-T165 PolarHBondContact O-N 3.5Å; L161-T165 PolarHBondContact O-OG1 2.91Å; R162-T165 PolarHBondContact O-N 2.84Å; V163-T165 PolarHBondContact O-N 3.44Å; T165-S168 PolarHBondContact O-OG 3.41Å; T165-R204 PolarHBondContact OG1-O 3.2Å; T165-I207 HydrophobicContact CG2-CB 4.09Å; T165-I207 HydrophobicContact CG2-CG2 3.53Å; T165-T208 VanDerWaalsContact CA-OG1 3.28Å; T165-T208 WeakPolarHBondContact CA-OG1 3.34Å; T165-T208 PolarHBondContact N-OG1 3.36Å; T165-T208 PolarHBondContact OG1-OG1 3.25Å; T165-N211 PolarHBondContact O-ND2 3.34Å |
| 166 | E | 89 | Confident | 89.2 | Confident | 45 Ų | 45 | 24.1 Ų | 24.1 | 21% | 0.21 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.7 | -40.8 | -177.8 | -65.3 | 169.4 | -156.6 | 0 | 0 | 112.5 | H114 T117 R162 V163 S169 | H114-E166 IonicContact CD2-OE1 3.82Å; H114-E166 PolarHBondContact CD2-OE1 3.36Å; H114-E166 IonicContact CD2-OE2 2.92Å; H114-E166 IonicContact NE2-OE1 3.12Å; H114-E166 PolarHBondContact NE2-OE1 2.97Å; T117-E166 WeakPolarHBondContact CB-OE2 3.48Å; T117-E166 HydrophobicContact CG2-CB 3.53Å; T117-E166 HydrophobicContact CG2-CG 4.48Å; T117-E166 WeakPolarHBondContact CG2-OE2 3.45Å; T117-E166 PolarHBondContact OG1-OE2 3.26Å; R162-E166 WeakPolarHBondContact CG-OE1 3.45Å; R162-E166 IonicContact NE-OE1 2.84Å; R162-E166 PolarHBondContact NE-OE1 3.12Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.95Å; V163-E166 PolarHBondContact O-N 3.42Å; E166-S169 PolarHBondContact O-OG 3.31Å |
| 167 | V | 91.1 | Very high | 89 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76.1 | -26.8 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | T117 A120 F132 V163 S169 D170 | T117-V167 HydrophobicContact CG2-CG2 4.2Å; A120-V167 HydrophobicContact CB-CG2 3.86Å; F132-V167 HydrophobicContact CE1-CG1 4.46Å; F132-V167 HydrophobicContact CE2-CG1 4.32Å; F132-V167 HydrophobicContact CZ-CG1 3.69Å; V163-V167 HydrophobicContact CG1-CG2 4.02Å; V163-V167 WeakPolarHBondContact O-CB 3.49Å; V163-V167 VanDerWaalsContact O-CG2 3.28Å; V163-V167 WeakPolarHBondContact O-CG2 3.27Å; V163-V167 PolarHBondContact O-N 3.25Å; V167-S169 VanDerWaalsContact C-N 3.27Å; V167-S169 PolarHBondContact O-N 3.06Å; V167-D170 PolarHBondContact O-N 3.27Å |
| 168 | S | 90.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -22.5 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | L164 T165 D170 N211 I215 | L164-S168 WeakPolarHBondContact O-CB 3.3Å; L164-S168 PolarHBondContact O-N 3.31Å; L164-S168 PolarHBondContact O-OG 2.73Å; T165-S168 PolarHBondContact O-OG 3.41Å; S168-D170 VanDerWaalsContact C-N 3.28Å; S168-N211 WeakPolarHBondContact OG-CB 3.44Å; S168-N211 PolarHBondContact OG-ND2 3.01Å; S168-N211 VanDerWaalsContact OG-ND2 3.09Å; S168-I215 WeakPolarHBondContact O-CD1 3.41Å |
| 169 | S | 84.6 | Confident | 88.7 | Confident | 65 Ų | 65 | 31.3 Ų | 31.3 | 46% | 0.455 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.4 | 175.3 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | E166 V167 | E166-S169 PolarHBondContact O-OG 3.31Å; V167-S169 VanDerWaalsContact C-N 3.27Å; V167-S169 PolarHBondContact O-N 3.06Å |
| 170 | D | 84.4 | Confident | 88.6 | Confident | 93 Ų | 93 | 31.3 Ų | 31.3 | 50% | 0.497 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 11 | -171.8 | -58.8 | -6.4 | 0 | 0 | 0 | 111.9 | Q121 V167 S168 | Q121-D170 PolarHBondContact NE2-OD2 3.11Å; V167-D170 PolarHBondContact O-N 3.27Å; S168-D170 VanDerWaalsContact C-N 3.28Å |
| 171 | L | 87.4 | Confident | 88.4 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | trans | -83.8 | 145.7 | 179.8 | -65.4 | 176.9 | 0 | 0 | 0 | 111.8 | W124 F132 D175 L212 I215 | W124-L171 HydrophobicContact CE3-CD2 4.25Å; W124-L171 HydrophobicContact CH2-CD2 3.29Å; W124-L171 HydrophobicContact CZ2-CD2 4.16Å; W124-L171 HydrophobicContact CZ3-CD2 3.36Å; F132-L171 HydrophobicContact CE2-CD2 3.99Å; F132-L171 HydrophobicContact CZ-CD1 4.26Å; F132-L171 HydrophobicContact CZ-CD2 3.88Å; L171-D175 HydrophobicContact CD2-CB 4.35Å; L171-L212 HydrophobicContact CD1-CD2 3.6Å; L171-I215 HydrophobicContact CB-CD1 3.72Å; L171-I215 VanDerWaalsContact O-CD1 3.32Å; L171-I215 WeakPolarHBondContact O-CD1 3.45Å | ||
| 172 | S | 85.2 | Confident | 88 | Confident | 38 Ų | 38 | 38.6 Ų | 38.6 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | trans | -86.2 | 167.2 | 172.6 | 72.6 | 0 | 0 | 0 | 0 | 112.7 | L174 D175 L176 | S172-L174 PolarHBondContact O-N 3.46Å; S172-L174 PolarHBondContact OG-N 3.44Å; S172-D175 WeakPolarHBondContact CB-OD2 3.39Å; S172-D175 PolarHBondContact N-OD2 2.87Å; S172-D175 PolarHBondContact O-N 3.02Å; S172-D175 PolarHBondContact OG-N 3.09Å; S172-D175 PolarHBondContact OG-OD2 3.23Å; S172-L176 PolarHBondContact O-N 3.2Å | ||
| 173 | D | 83.5 | Confident | 88 | Confident | 40 Ų | 40 | 38.5 Ų | 38.5 | 21% | 0.214 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26 | 171.3 | 67 | -40.7 | 0 | 0 | 0 | 112.9 | P177 C219 | D173-P177 WeakPolarHBondContact O-CD 3.29Å; D173-C219 HydrophobicContact CB-CB 3.76Å |
| 174 | L | 86 | Confident | 87.9 | Confident | 122 Ų | 122 | 38.5 Ų | 38.5 | 64% | 0.639 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -32.6 | 174.4 | -61 | 177.4 | 0 | 0 | 0 | 112.5 | S172 | S172-L174 PolarHBondContact O-N 3.46Å; S172-L174 PolarHBondContact OG-N 3.44Å |
| 175 | D | 86.9 | Confident | 87.8 | Confident | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -31.7 | -179.4 | -63.4 | -51.6 | 0 | 0 | 0 | 112.5 | W124 L171 S172 V178 V179 | W124-D175 HydrophobicContact CH2-CB 3.93Å; L171-D175 HydrophobicContact CD2-CB 4.35Å; S172-D175 WeakPolarHBondContact CB-OD2 3.39Å; S172-D175 PolarHBondContact N-OD2 2.87Å; S172-D175 PolarHBondContact O-N 3.02Å; S172-D175 PolarHBondContact OG-N 3.09Å; S172-D175 PolarHBondContact OG-OD2 3.23Å; D175-V178 WeakPolarHBondContact O-CB 3.47Å; D175-V178 PolarHBondContact O-N 2.79Å; D175-V179 PolarHBondContact O-N 3.39Å |
| 176 | L | 86.6 | Confident | 87.8 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | -172.7 | -176.8 | 62.4 | 0 | 0 | 0 | 112.9 | S172 V178 V179 G180 L212 A216 I224 F228 | S172-L176 PolarHBondContact O-N 3.2Å; L176-V178 PolarHBondContact O-N 3.04Å; L176-V179 PolarHBondContact O-N 3.18Å; L176-G180 VanDerWaalsContact O-CA 3.31Å; L176-G180 WeakPolarHBondContact O-CA 3.28Å; L176-G180 PolarHBondContact O-N 3.49Å; L176-L212 HydrophobicContact CD1-CB 4.02Å; L176-L212 HydrophobicContact CD1-CD2 3.83Å; L176-L212 HydrophobicContact CD1-CG 4.44Å; L176-L212 VanDerWaalsContact CD2-O 3.3Å; L176-L212 WeakPolarHBondContact CD2-O 3.28Å; L176-A216 HydrophobicContact CD2-CB 3.83Å; L176-I224 HydrophobicContact CD2-CG2 3.67Å; L176-I224 HydrophobicContact CG-CG2 4.08Å; L176-F228 HydrophobicContact CD1-CD1 4.5Å; L176-F228 HydrophobicContact CD1-CE1 3.8Å; L176-F228 HydrophobicContact CD1-CZ 3.94Å; L176-F228 HydrophobicContact CG-CE1 4.15Å; L176-F228 HydrophobicContact CG-CE2 4.22Å; L176-F228 HydrophobicContact CG-CZ 3.84Å; L176-F228 WeakPolarHBondContact O-CZ 3.33Å |
| 177 | P | 87.1 | Confident | 88 | Confident | 61 Ų | 61 | 39 Ų | 39 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60 | -27.8 | 174.4 | -25.4 | 34.7 | 0 | 0 | 0 | 114.6 | D173 P181 I224 | D173-P177 WeakPolarHBondContact O-CD 3.29Å; P177-P181 VanDerWaalsContact O-CD 3.24Å; P177-P181 WeakPolarHBondContact O-CD 3.33Å; P177-P181 VanDerWaalsContact O-CG 3.31Å; P177-P181 WeakPolarHBondContact O-CG 3.32Å; P177-I224 HydrophobicContact CG-CD1 3.68Å; P177-I224 HydrophobicContact CG-CG1 4.19Å |
| 178 | V | 86.7 | Confident | 88 | Confident | 96 Ų | 96 | 39.5 Ų | 39.5 | 58% | 0.582 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -84 | -47.3 | -178.1 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | D175 L176 F182 | D175-V178 WeakPolarHBondContact O-CB 3.47Å; D175-V178 PolarHBondContact O-N 2.79Å; L176-V178 PolarHBondContact O-N 3.04Å; V178-F182 WeakPolarHBondContact O-CD2 3.38Å; V178-F182 VanDerWaalsContact O-CE2 3.25Å; V178-F182 WeakPolarHBondContact O-CE2 3.33Å |
| 179 | V | 87.1 | Confident | 88.1 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 9% | 0.085 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -89.8 | -42 | -170.7 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | W124 F132 D175 L176 F182 I183 | W124-V179 HydrophobicContact CZ2-CG2 4.12Å; F132-V179 HydrophobicContact CB-CG1 4.5Å; F132-V179 HydrophobicContact CD1-CG1 3.94Å; F132-V179 HydrophobicContact CD2-CG1 4.03Å; F132-V179 HydrophobicContact CD2-CG2 4.2Å; F132-V179 HydrophobicContact CE1-CG1 4.07Å; F132-V179 HydrophobicContact CE2-CG1 4.18Å; F132-V179 HydrophobicContact CE2-CG2 4.44Å; F132-V179 HydrophobicContact CG-CG1 3.9Å; F132-V179 HydrophobicContact CZ-CG1 4.19Å; D175-V179 PolarHBondContact O-N 3.39Å; L176-V179 PolarHBondContact O-N 3.18Å; V179-F182 PolarHBondContact O-N 3.37Å; V179-F182 VanDerWaalsContact O-N 3.13Å; V179-I183 HydrophobicContact CG1-CD1 3.24Å; V179-I183 HydrophobicContact CG1-CG1 3.99Å; V179-I183 PolarHBondContact O-N 3.01Å |
| 180 | G | 88 | Confident | 88.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.6 | -43.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L176 F182 I183 M184 | L176-G180 VanDerWaalsContact O-CA 3.31Å; L176-G180 WeakPolarHBondContact O-CA 3.28Å; L176-G180 PolarHBondContact O-N 3.49Å; G180-F182 PolarHBondContact O-N 2.67Å; G180-F182 VanDerWaalsContact O-N 3.16Å; G180-I183 PolarHBondContact O-N 3.3Å; G180-M184 WeakPolarHBondContact O-CB 3.45Å; G180-M184 WeakPolarHBondContact O-CG 3.5Å; G180-M184 PolarHBondContact O-N 3.39Å |
| 181 | P | 89 | Confident | 88.8 | Confident | 39 Ų | 39 | 36 Ų | 36 | 25% | 0.253 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.5 | -22.8 | 178.7 | -26.5 | 37.1 | 0 | 0 | 0 | 115.2 | P177 P185 F228 Y232 | P177-P181 VanDerWaalsContact O-CD 3.24Å; P177-P181 WeakPolarHBondContact O-CD 3.33Å; P177-P181 VanDerWaalsContact O-CG 3.31Å; P177-P181 WeakPolarHBondContact O-CG 3.32Å; P181-P185 VanDerWaalsContact O-CD 3.23Å; P181-P185 WeakPolarHBondContact O-CD 3.45Å; P181-P185 WeakPolarHBondContact O-CG 3.4Å; P181-F228 HydrophobicContact CG-CZ 4.42Å; P181-Y232 VanDerWaalsContact CA-OH 3.28Å; P181-Y232 WeakPolarHBondContact CA-OH 3.45Å; P181-Y232 WeakPolarHBondContact CB-OH 3.39Å |
| 182 | F | 86 | Confident | 88.9 | Confident | 114 Ų | 114 | 38.6 Ų | 38.6 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -88.5 | -31.4 | 178.2 | -62.8 | -82 | 0 | 0 | 0 | 112.8 | I136 V178 V179 G180 | I136-F182 HydrophobicContact CD1-CB 3.67Å; V178-F182 WeakPolarHBondContact O-CD2 3.38Å; V178-F182 VanDerWaalsContact O-CE2 3.25Å; V178-F182 WeakPolarHBondContact O-CE2 3.33Å; V179-F182 PolarHBondContact O-N 3.37Å; V179-F182 VanDerWaalsContact O-N 3.13Å; G180-F182 PolarHBondContact O-N 2.67Å; G180-F182 VanDerWaalsContact O-N 3.16Å |
| 183 | I | 90.8 | Very high | 89 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -87.1 | -48 | -176.5 | -63 | -176.7 | 0 | 0 | 0 | 111.6 | F132 I136 L164 V179 G180 P185 E186 L187 L212 | F132-I183 HydrophobicContact CD1-CD1 3.36Å; F132-I183 HydrophobicContact CD1-CG1 4.43Å; F132-I183 HydrophobicContact CE1-CD1 3.57Å; F132-I183 HydrophobicContact CG-CD1 4.26Å; I136-I183 HydrophobicContact CD1-CG1 3.88Å; I136-I183 HydrophobicContact CG1-CG1 4.38Å; L164-I183 HydrophobicContact CD2-CD1 4.13Å; V179-I183 HydrophobicContact CG1-CD1 3.24Å; V179-I183 HydrophobicContact CG1-CG1 3.99Å; V179-I183 PolarHBondContact O-N 3.01Å; G180-I183 PolarHBondContact O-N 3.3Å; I183-P185 VanDerWaalsContact C-CD 3.5Å; I183-E186 PolarHBondContact O-N 2.98Å; I183-L187 HydrophobicContact CG2-CD1 3.53Å; I183-L187 HydrophobicContact CG2-CD2 4.23Å; I183-L187 HydrophobicContact CG2-CG 3.67Å; I183-L187 PolarHBondContact O-N 3.16Å; I183-L212 HydrophobicContact CG2-CD1 4.38Å |
| 184 | M | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -51.5 | -45.5 | -174 | -79.3 | -65.5 | -158.1 | 0 | 0 | 114.1 | G180 E186 L187 L188 I209 L212 L213 F228 Y232 | G180-M184 WeakPolarHBondContact O-CB 3.45Å; G180-M184 WeakPolarHBondContact O-CG 3.5Å; G180-M184 PolarHBondContact O-N 3.39Å; M184-E186 VanDerWaalsContact C-N 3.31Å; M184-E186 PolarHBondContact O-N 3.31Å; M184-L187 PolarHBondContact O-N 2.89Å; M184-L188 WeakPolarHBondContact O-CG 3.16Å; M184-L188 PolarHBondContact O-N 2.69Å; M184-I209 HydrophobicContact CE-CG2 4.2Å; M184-I209 HydrophobicContact SD-CB 4.49Å; M184-I209 HydrophobicContact SD-CG1 4.02Å; M184-I209 HydrophobicContact SD-CG2 4.28Å; M184-L212 HydrophobicContact CE-CB 3.89Å; M184-L212 HydrophobicContact CE-CD1 4.02Å; M184-L212 HydrophobicContact CG-CD1 4.42Å; M184-L212 HydrophobicContact SD-CD1 4.11Å; M184-L213 HydrophobicContact CE-CD2 4.13Å; M184-L213 HydrophobicContact CE-CG 4.22Å; M184-F228 HydrophobicContact CE-CD1 3.82Å; M184-F228 HydrophobicContact CE-CE1 4.42Å; M184-F228 HydrophobicContact CG-CD1 4Å; M184-F228 HydrophobicContact CG-CE1 4.01Å; M184-Y232 HydrophobicContact CB-CD1 3.97Å; M184-Y232 HydrophobicContact CB-CD2 3.87Å; M184-Y232 HydrophobicContact CB-CE1 4.26Å; M184-Y232 HydrophobicContact CB-CE2 4.16Å; M184-Y232 HydrophobicContact CB-CG 3.77Å; M184-Y232 HydrophobicContact CG-CD2 4.03Å; M184-Y232 HydrophobicContact CG-CE2 4.44Å; M184-Y232 HydrophobicContact CG-CG 4.32Å |
| 185 | P | 91.4 | Very high | 89.1 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -35.7 | 178.2 | -23.6 | 34.4 | 0 | 0 | 0 | 113.8 | P181 I183 R189 Y232 | P181-P185 VanDerWaalsContact O-CD 3.23Å; P181-P185 WeakPolarHBondContact O-CD 3.45Å; P181-P185 WeakPolarHBondContact O-CG 3.4Å; I183-P185 VanDerWaalsContact C-CD 3.5Å; P185-R189 WeakPolarHBondContact O-CB 3.31Å; P185-R189 PolarHBondContact O-N 3.38Å; P185-R189 VanDerWaalsContact O-N 3.11Å; P185-Y232 HydrophobicContact CG-CD1 4.36Å; P185-Y232 HydrophobicContact CG-CE1 3.81Å |
| 186 | E | 91.2 | Very high | 89 | Confident | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.7 | -39.8 | 179.4 | -63.1 | -59.7 | 156.6 | 0 | 0 | 111.4 | I136 I139 R140 I183 M184 L188 R189 I190 | I136-E186 HydrophobicContact CG2-CG 4.46Å; I139-E186 HydrophobicContact CG2-CB 4.41Å; R140-E186 IonicContact CZ-OE1 3.57Å; R140-E186 VanDerWaalsContact CZ-OE1 3.29Å; R140-E186 IonicContact NE-OE1 3.77Å; R140-E186 PolarHBondContact NE-OE1 3.16Å; R140-E186 IonicContact NH2-OE1 3.11Å; R140-E186 PolarHBondContact NH2-OE1 3.16Å; I183-E186 PolarHBondContact O-N 2.98Å; M184-E186 VanDerWaalsContact C-N 3.31Å; M184-E186 PolarHBondContact O-N 3.31Å; E186-L188 PolarHBondContact O-N 2.8Å; E186-R189 PolarHBondContact O-N 3.29Å; E186-R189 IonicContact OE2-CZ 2.8Å; E186-R189 IonicContact OE2-NE 3.04Å; E186-R189 PolarHBondContact OE2-NE 3.13Å; E186-R189 IonicContact OE2-NH2 3.5Å; E186-R189 PolarHBondContact OE2-NH2 3.1Å; E186-R189 VanDerWaalsContact OE2-NH2 3.11Å; E186-I190 VanDerWaalsContact O-CG1 3.29Å; E186-I190 WeakPolarHBondContact O-CG1 3.32Å; E186-I190 PolarHBondContact O-N 3.45Å |
| 187 | L | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 175 | -63.7 | -179.3 | 0 | 0 | 0 | 111.1 | L161 I183 M184 R189 I190 Y191 A205 T208 I209 L212 | L161-L187 HydrophobicContact CD2-CD2 3.35Å; I183-L187 HydrophobicContact CG2-CD1 3.53Å; I183-L187 HydrophobicContact CG2-CD2 4.23Å; I183-L187 HydrophobicContact CG2-CG 3.67Å; I183-L187 PolarHBondContact O-N 3.16Å; M184-L187 PolarHBondContact O-N 2.89Å; L187-R189 VanDerWaalsContact C-N 3.34Å; L187-R189 PolarHBondContact O-N 3.15Å; L187-I190 PolarHBondContact O-N 3.24Å; L187-Y191 WeakPolarHBondContact O-CB 3.41Å; L187-Y191 PolarHBondContact O-N 3.06Å; L187-A205 HydrophobicContact CD2-CB 4.42Å; L187-T208 HydrophobicContact CD1-CG2 3.6Å; L187-T208 HydrophobicContact CD2-CG2 4.24Å; L187-I209 HydrophobicContact CB-CD1 3.92Å; L187-I209 HydrophobicContact CB-CG1 3.8Å; L187-I209 HydrophobicContact CD1-CG1 3.7Å; L187-I209 HydrophobicContact CG-CG1 4.4Å; L187-L212 HydrophobicContact CD1-CD1 4.22Å |
| 188 | L | 91.6 | Very high | 88.8 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -35.8 | 177.8 | -71.6 | 173.4 | 0 | 0 | 0 | 112.9 | M184 E186 S192 I209 Y232 | M184-L188 WeakPolarHBondContact O-CG 3.16Å; M184-L188 PolarHBondContact O-N 2.69Å; E186-L188 PolarHBondContact O-N 2.8Å; L188-S192 VanDerWaalsContact O-CB 3.31Å; L188-S192 WeakPolarHBondContact O-CB 3.46Å; L188-S192 PolarHBondContact O-N 2.88Å; L188-S192 PolarHBondContact O-OG 3.01Å; L188-I209 HydrophobicContact CD2-CD1 3.82Å; L188-I209 HydrophobicContact CG-CD1 4.27Å; L188-Y232 WeakPolarHBondContact CD1-O 2.98Å |
| 189 | R | 91.6 | Very high | 88.7 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 173.5 | -175.2 | -172.6 | 62.4 | 70.2 | 1.6 | 111.2 | P185 E186 L187 S192 D193 Y197 | P185-R189 WeakPolarHBondContact O-CB 3.31Å; P185-R189 PolarHBondContact O-N 3.38Å; P185-R189 VanDerWaalsContact O-N 3.11Å; E186-R189 PolarHBondContact O-N 3.29Å; E186-R189 IonicContact OE2-CZ 2.8Å; E186-R189 IonicContact OE2-NE 3.04Å; E186-R189 PolarHBondContact OE2-NE 3.13Å; E186-R189 IonicContact OE2-NH2 3.5Å; E186-R189 PolarHBondContact OE2-NH2 3.1Å; E186-R189 VanDerWaalsContact OE2-NH2 3.11Å; L187-R189 VanDerWaalsContact C-N 3.34Å; L187-R189 PolarHBondContact O-N 3.15Å; R189-S192 PolarHBondContact O-N 3.34Å; R189-D193 WeakPolarHBondContact O-CB 3.31Å; R189-D193 PolarHBondContact O-N 2.89Å; R189-D193 VanDerWaalsContact O-N 3.12Å; R189-Y197 PolarHBondContact NH1-OH 3.22Å |
| 190 | I | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 178.5 | -66.7 | 161.3 | 0 | 0 | 0 | 110.5 | I139 V157 L161 E186 L187 S192 D193 Y197 T201 A205 | I139-I190 HydrophobicContact CD1-CD1 4.41Å; I139-I190 HydrophobicContact CG2-CD1 4.15Å; V157-I190 HydrophobicContact CG1-CD1 3.7Å; V157-I190 HydrophobicContact CG1-CG1 4.13Å; V157-I190 HydrophobicContact CG1-CG2 4.3Å; L161-I190 HydrophobicContact CD1-CD1 4.16Å; L161-I190 HydrophobicContact CD1-CG2 3.9Å; L161-I190 HydrophobicContact CD2-CD1 4.41Å; L161-I190 HydrophobicContact CG-CD1 4.38Å; E186-I190 VanDerWaalsContact O-CG1 3.29Å; E186-I190 WeakPolarHBondContact O-CG1 3.32Å; E186-I190 PolarHBondContact O-N 3.45Å; L187-I190 PolarHBondContact O-N 3.24Å; I190-S192 VanDerWaalsContact C-N 3.32Å; I190-S192 PolarHBondContact O-N 3.44Å; I190-D193 PolarHBondContact O-N 2.87Å; I190-Y197 HydrophobicContact CB-CD2 4.28Å; I190-Y197 HydrophobicContact CB-CE2 4.21Å; I190-Y197 HydrophobicContact CG1-CE2 4Å; I190-Y197 HydrophobicContact CG2-CD1 4.45Å; I190-Y197 HydrophobicContact CG2-CD2 3.79Å; I190-Y197 HydrophobicContact CG2-CE2 4.11Å; I190-Y197 HydrophobicContact CG2-CG 3.97Å; I190-T201 HydrophobicContact CG2-CG2 4.06Å; I190-A205 HydrophobicContact CG2-CB 4.33Å |
| 191 | Y | 91.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.1 | -44.1 | 175.5 | 168.1 | -106.1 | 0 | 0 | 0 | 112.6 | L187 R202 V206 I240 D243 H258 L262 | L187-Y191 WeakPolarHBondContact O-CB 3.41Å; L187-Y191 PolarHBondContact O-N 3.06Å; Y191-R202 PolarHBondContact O-NE 2.91Å; Y191-R202 PolarHBondContact O-NH2 3.43Å; Y191-V206 HydrophobicContact CD2-CG2 3.68Å; Y191-V206 HydrophobicContact CE2-CG2 3.94Å; Y191-I240 HydrophobicContact CE1-CG1 3.97Å; Y191-I240 WeakPolarHBondContact OH-CA 3.39Å; Y191-D243 PolarHBondContact OH-OD2 3.05Å; Y191-H258 AromaticContact CE2-NE2 3.79Å; Y191-L262 HydrophobicContact CE2-CD2 3.98Å |
| 192 | S | 89.6 | Confident | 88.6 | Confident | 66 Ų | 66 | 45.2 Ų | 45.2 | 46% | 0.462 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -75.5 | -26.1 | -175.8 | -58.4 | 0 | 0 | 0 | 0 | 113.8 | L188 R189 I190 K194 | L188-S192 VanDerWaalsContact O-CB 3.31Å; L188-S192 WeakPolarHBondContact O-CB 3.46Å; L188-S192 PolarHBondContact O-N 2.88Å; L188-S192 PolarHBondContact O-OG 3.01Å; R189-S192 PolarHBondContact O-N 3.34Å; I190-S192 VanDerWaalsContact C-N 3.32Å; I190-S192 PolarHBondContact O-N 3.44Å; S192-K194 PolarHBondContact O-N 3.18Å; S192-K194 VanDerWaalsContact O-N 3.07Å |
| 193 | D | 88.6 | Confident | 88.7 | Confident | 46 Ų | 46 | 42 Ų | 42 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | trans | -85.1 | 79.3 | -177.3 | -173.6 | -2.8 | 0 | 0 | 0 | 112.5 | R189 I190 Q195 T196 Y197 | R189-D193 WeakPolarHBondContact O-CB 3.31Å; R189-D193 PolarHBondContact O-N 2.89Å; R189-D193 VanDerWaalsContact O-N 3.12Å; I190-D193 PolarHBondContact O-N 2.87Å; D193-Q195 PolarHBondContact O-N 2.91Å; D193-Q195 PolarHBondContact OD1-N 3.43Å; D193-T196 VanDerWaalsContact CG-OG1 3.23Å; D193-T196 PolarHBondContact OD1-N 3.43Å; D193-T196 PolarHBondContact OD1-OG1 3.26Å; D193-T196 WeakPolarHBondContact OD2-CB 3.1Å; D193-T196 PolarHBondContact OD2-OG1 2.9Å; D193-Y197 HydrophobicContact CB-CD2 3.9Å; D193-Y197 HydrophobicContact CB-CE2 4.05Å; D193-Y197 PolarHBondContact O-N 3.49Å | ||
| 194 | K | 86.4 | Confident | 88.7 | Confident | 115 Ų | 115 | 42.4 Ų | 42.4 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.3 | 177.4 | -57.5 | -175.5 | -178.6 | 179.4 | 0 | 114.4 | S192 D243 | S192-K194 PolarHBondContact O-N 3.18Å; S192-K194 VanDerWaalsContact O-N 3.07Å; K194-D243 WeakPolarHBondContact CE-OD1 3.49Å; K194-D243 IonicContact NZ-OD1 2.64Å; K194-D243 PolarHBondContact NZ-OD1 2.96Å; K194-D243 IonicContact NZ-OD2 2.68Å |
| 195 | Q | 84.9 | Confident | 88.8 | Confident | 185 Ų | 185 | 42.4 Ų | 42.4 | 86% | 0.864 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -36.6 | -176.6 | -65.5 | -174.7 | -2.4 | 0 | 0 | 111.2 | D193 | D193-Q195 PolarHBondContact O-N 2.91Å; D193-Q195 PolarHBondContact OD1-N 3.43Å |
| 196 | T | 84.7 | Confident | 88.9 | Confident | 44 Ų | 44 | 40 Ų | 40 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -47.5 | -177.3 | -54 | 0 | 0 | 0 | 0 | 111.9 | K154 D193 | K154-T196 WeakPolarHBondContact CE-O 3.47Å; K154-T196 PolarHBondContact NZ-O 3.03Å; D193-T196 VanDerWaalsContact CG-OG1 3.23Å; D193-T196 PolarHBondContact OD1-N 3.43Å; D193-T196 PolarHBondContact OD1-OG1 3.26Å; D193-T196 WeakPolarHBondContact OD2-CB 3.1Å; D193-T196 PolarHBondContact OD2-OG1 2.9Å |
| 197 | Y | 86.4 | Confident | 89 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -103.5 | 140.8 | -169.6 | -53.9 | -68.8 | 0 | 0 | 0 | 112.3 | V157 R189 I190 D193 T201 | V157-Y197 HydrophobicContact CB-CD1 4.43Å; V157-Y197 HydrophobicContact CB-CE1 3.78Å; V157-Y197 HydrophobicContact CG1-CD1 4.08Å; V157-Y197 HydrophobicContact CG1-CE1 3.64Å; V157-Y197 HydrophobicContact CG2-CE1 3.82Å; R189-Y197 PolarHBondContact NH1-OH 3.22Å; I190-Y197 HydrophobicContact CB-CD2 4.28Å; I190-Y197 HydrophobicContact CB-CE2 4.21Å; I190-Y197 HydrophobicContact CG1-CE2 4Å; I190-Y197 HydrophobicContact CG2-CD1 4.45Å; I190-Y197 HydrophobicContact CG2-CD2 3.79Å; I190-Y197 HydrophobicContact CG2-CE2 4.11Å; I190-Y197 HydrophobicContact CG2-CG 3.97Å; D193-Y197 HydrophobicContact CB-CD2 3.9Å; D193-Y197 HydrophobicContact CB-CE2 4.05Å; D193-Y197 PolarHBondContact O-N 3.49Å; Y197-T201 HydrophobicContact CD1-CG2 4.1Å; Y197-T201 HydrophobicContact CG-CG2 4.36Å |
| 198 | D | 83.6 | Confident | 89 | Confident | 91 Ų | 91 | 40.4 Ų | 40.4 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | trans | -75.7 | 172.8 | 177 | 65.1 | 3.9 | 0 | 0 | 0 | 112.1 | S200 T201 R202 | D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 PolarHBondContact O-N 3.47Å; D198-T201 PolarHBondContact O-N 2.68Å; D198-T201 WeakPolarHBondContact OD1-CB 3.19Å; D198-T201 PolarHBondContact OD1-N 2.96Å; D198-T201 PolarHBondContact OD1-OG1 3.46Å; D198-R202 VanDerWaalsContact O-CG 3.27Å; D198-R202 WeakPolarHBondContact O-CG 3.08Å; D198-R202 PolarHBondContact O-N 3.22Å; D198-R202 VanDerWaalsContact O-N 3.09Å | ||
| 199 | Q | 83.6 | Confident | 89.1 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | -177.9 | -163.1 | 105.5 | 21.5 | 0 | 0 | 112.4 | R202 R203 H258 | Q199-R202 PolarHBondContact O-N 2.61Å; Q199-R203 WeakPolarHBondContact O-CB 3.39Å; Q199-R203 PolarHBondContact O-N 3.28Å; Q199-H258 HydrophobicContact CG-CB 3.85Å |
| 200 | S | 83 | Confident | 89.1 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 16% | 0.161 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | -178.3 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | D198 R202 R203 R204 | D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 PolarHBondContact O-N 3.47Å; S200-R202 VanDerWaalsContact C-N 3.33Å; S200-R202 PolarHBondContact O-N 2.89Å; S200-R203 WeakPolarHBondContact O-CB 3.43Å; S200-R203 PolarHBondContact O-N 2.88Å; S200-R204 PolarHBondContact O-N 3.01Å |
| 201 | T | 87.7 | Confident | 89.1 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 176.3 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | V157 L161 I190 Y197 D198 R204 A205 | V157-T201 HydrophobicContact CG1-CG2 3.94Å; L161-T201 HydrophobicContact CD1-CG2 3.54Å; L161-T201 WeakPolarHBondContact CD1-O 3.18Å; I190-T201 HydrophobicContact CG2-CG2 4.06Å; Y197-T201 HydrophobicContact CD1-CG2 4.1Å; Y197-T201 HydrophobicContact CG-CG2 4.36Å; D198-T201 PolarHBondContact O-N 2.68Å; D198-T201 WeakPolarHBondContact OD1-CB 3.19Å; D198-T201 PolarHBondContact OD1-N 2.96Å; D198-T201 PolarHBondContact OD1-OG1 3.46Å; T201-R204 PolarHBondContact O-N 3.05Å; T201-A205 PolarHBondContact O-N 3.33Å |
| 202 | R | 90.5 | Very high | 89.1 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.3 | -36.5 | 177 | -67.2 | 171.8 | 66.4 | -130 | -9.2 | 112.5 | Y191 D198 Q199 S200 A205 V206 D243 | Y191-R202 PolarHBondContact O-NE 2.91Å; Y191-R202 PolarHBondContact O-NH2 3.43Å; D198-R202 VanDerWaalsContact O-CG 3.27Å; D198-R202 WeakPolarHBondContact O-CG 3.08Å; D198-R202 PolarHBondContact O-N 3.22Å; D198-R202 VanDerWaalsContact O-N 3.09Å; Q199-R202 PolarHBondContact O-N 2.61Å; S200-R202 VanDerWaalsContact C-N 3.33Å; S200-R202 PolarHBondContact O-N 2.89Å; R202-A205 PolarHBondContact O-N 3.15Å; R202-V206 WeakPolarHBondContact O-CG2 3.31Å; R202-V206 PolarHBondContact O-N 2.81Å; R202-D243 IonicContact CZ-OD2 2.85Å; R202-D243 IonicContact NH2-OD2 3.42Å; R202-D243 PolarHBondContact NH2-OD2 2.9Å |
| 203 | R | 89.7 | Confident | 89.1 | Confident | 45 Ų | 45 | 35 Ų | 35 | 17% | 0.17 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -49.8 | 174.1 | -177.4 | -174.1 | 162.3 | -124.1 | -1.8 | 110.6 | Q199 S200 A205 V206 I207 S257 H258 E261 | Q199-R203 WeakPolarHBondContact O-CB 3.39Å; Q199-R203 PolarHBondContact O-N 3.28Å; S200-R203 WeakPolarHBondContact O-CB 3.43Å; S200-R203 PolarHBondContact O-N 2.88Å; R203-A205 VanDerWaalsContact C-N 3.28Å; R203-A205 PolarHBondContact O-N 3.36Å; R203-V206 WeakPolarHBondContact O-CA 3.34Å; R203-V206 WeakPolarHBondContact O-CB 3.34Å; R203-V206 PolarHBondContact O-N 2.91Å; R203-I207 HydrophobicContact CG-CD1 4.17Å; R203-I207 WeakPolarHBondContact O-CG1 3.41Å; R203-I207 PolarHBondContact O-N 3.32Å; R203-S257 WeakPolarHBondContact CD-OG 3.32Å; R203-S257 PolarHBondContact NE-OG 3Å; R203-H258 VanDerWaalsContact CA-ND1 3.3Å; R203-H258 WeakPolarHBondContact CA-ND1 3.34Å; R203-H258 HydrophobicContact CB-CB 4.49Å; R203-H258 PolarHBondContact N-ND1 3.41Å; R203-E261 HydrophobicContact CG-CB 4.41Å; R203-E261 HydrophobicContact CG-CG 3.44Å; R203-E261 VanDerWaalsContact CG-CG 3.44Å; R203-E261 IonicContact CZ-OE1 3.76Å; R203-E261 IonicContact NE-OE1 3.5Å; R203-E261 PolarHBondContact NE-OE1 3.07Å; R203-E261 IonicContact NH2-OE1 2.66Å; R203-E261 PolarHBondContact NH2-OE1 3.28Å |
| 204 | R | 90.5 | Very high | 89.1 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.2 | -39.7 | 176.1 | -73.7 | 173.1 | 171.5 | -83.9 | -11.9 | 112.9 | L161 R162 T165 S200 T201 V206 I207 T208 S322 D323 | L161-R204 HydrophobicContact CB-CB 4.27Å; R162-R204 VanDerWaalsContact CB-NH1 3.26Å; R162-R204 VanDerWaalsContact CG-NH1 3.26Å; T165-R204 PolarHBondContact OG1-O 3.2Å; S200-R204 PolarHBondContact O-N 3.01Å; T201-R204 PolarHBondContact O-N 3.05Å; R204-V206 VanDerWaalsContact C-N 3.29Å; R204-V206 PolarHBondContact O-N 3.14Å; R204-I207 PolarHBondContact O-N 2.89Å; R204-T208 PolarHBondContact O-N 2.95Å; R204-T208 PolarHBondContact O-OG1 3.25Å; R204-T208 VanDerWaalsContact O-OG1 3.08Å; R204-S322 PolarHBondContact NE-OG 2.97Å; R204-S322 VanDerWaalsContact NE-OG 3.13Å; R204-S322 PolarHBondContact NH2-OG 3.28Å; R204-D323 IonicContact CZ-OD1 2.95Å; R204-D323 IonicContact NH2-OD1 2.6Å; R204-D323 PolarHBondContact NH2-OD1 3.46Å; R204-D323 IonicContact NH2-OD2 2.71Å; R204-D323 PolarHBondContact NH2-OD2 2.87Å |
| 205 | A | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.9 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L161 L187 I190 T201 R202 R203 I209 | L161-A205 HydrophobicContact CD1-CB 4.22Å; L161-A205 HydrophobicContact CD2-CB 4.35Å; L187-A205 HydrophobicContact CD2-CB 4.42Å; I190-A205 HydrophobicContact CG2-CB 4.33Å; T201-A205 PolarHBondContact O-N 3.33Å; R202-A205 PolarHBondContact O-N 3.15Å; R203-A205 VanDerWaalsContact C-N 3.28Å; R203-A205 PolarHBondContact O-N 3.36Å; A205-I209 WeakPolarHBondContact O-CD1 3.47Å; A205-I209 VanDerWaalsContact O-CG1 3.23Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.12Å; A205-I209 VanDerWaalsContact O-N 3.09Å |
| 206 | V | 93.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.3 | -45.8 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | Y191 R202 R203 R204 T208 I209 D210 E261 L262 L265 | Y191-V206 HydrophobicContact CD2-CG2 3.68Å; Y191-V206 HydrophobicContact CE2-CG2 3.94Å; R202-V206 WeakPolarHBondContact O-CG2 3.31Å; R202-V206 PolarHBondContact O-N 2.81Å; R203-V206 WeakPolarHBondContact O-CA 3.34Å; R203-V206 WeakPolarHBondContact O-CB 3.34Å; R203-V206 PolarHBondContact O-N 2.91Å; R204-V206 VanDerWaalsContact C-N 3.29Å; R204-V206 PolarHBondContact O-N 3.14Å; V206-T208 VanDerWaalsContact C-N 3.33Å; V206-T208 PolarHBondContact O-N 3.5Å; V206-I209 WeakPolarHBondContact O-CB 3.4Å; V206-I209 PolarHBondContact O-N 3.18Å; V206-I209 VanDerWaalsContact O-N 3.11Å; V206-D210 PolarHBondContact O-N 3Å; V206-E261 HydrophobicContact CB-CB 4.38Å; V206-E261 HydrophobicContact CG1-CB 3.85Å; V206-L262 HydrophobicContact CB-CD2 4.47Å; V206-L262 HydrophobicContact CG1-CD2 3.88Å; V206-L262 HydrophobicContact CG1-CG 4.43Å; V206-L262 HydrophobicContact CG2-CD2 3.69Å; V206-L262 HydrophobicContact CG2-CG 4.45Å; V206-L265 HydrophobicContact CG1-CB 4.37Å; V206-L265 HydrophobicContact CG1-CD2 4.24Å |
| 207 | I | 92.2 | Very high | 89.2 | Confident | 31 Ų | 31 | 20.5 Ų | 20.5 | 16% | 0.159 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 178 | -60.4 | 168.3 | 0 | 0 | 0 | 110.4 | T165 R203 R204 I209 D210 N211 E261 | T165-I207 HydrophobicContact CG2-CB 4.09Å; T165-I207 HydrophobicContact CG2-CG2 3.53Å; R203-I207 HydrophobicContact CG-CD1 4.17Å; R203-I207 WeakPolarHBondContact O-CG1 3.41Å; R203-I207 PolarHBondContact O-N 3.32Å; R204-I207 PolarHBondContact O-N 2.89Å; I207-I209 VanDerWaalsContact C-N 3.33Å; I207-I209 PolarHBondContact O-N 3.39Å; I207-D210 PolarHBondContact O-N 2.95Å; I207-N211 PolarHBondContact O-N 2.64Å; I207-N211 PolarHBondContact O-OD1 2.93Å; I207-E261 HydrophobicContact CD1-CG 4.14Å; I207-E261 HydrophobicContact CG1-CB 4.33Å; I207-E261 HydrophobicContact CG1-CG 3.81Å |
| 208 | T | 93.2 | Very high | 89 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 176.9 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | L164 T165 L187 R204 V206 D210 L212 | L164-T208 HydrophobicContact CB-CG2 4.18Å; T165-T208 VanDerWaalsContact CA-OG1 3.28Å; T165-T208 WeakPolarHBondContact CA-OG1 3.34Å; T165-T208 PolarHBondContact N-OG1 3.36Å; T165-T208 PolarHBondContact OG1-OG1 3.25Å; L187-T208 HydrophobicContact CD1-CG2 3.6Å; L187-T208 HydrophobicContact CD2-CG2 4.24Å; R204-T208 PolarHBondContact O-N 2.95Å; R204-T208 PolarHBondContact O-OG1 3.25Å; R204-T208 VanDerWaalsContact O-OG1 3.08Å; V206-T208 VanDerWaalsContact C-N 3.33Å; V206-T208 PolarHBondContact O-N 3.5Å; T208-D210 VanDerWaalsContact C-N 3.32Å; T208-L212 VanDerWaalsContact O-CG 3.24Å; T208-L212 WeakPolarHBondContact O-CG 3.02Å; T208-L212 PolarHBondContact O-N 3.24Å |
| 209 | I | 94 | Very high | 89 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 174.4 | -71.9 | 166.1 | 0 | 0 | 0 | 110.1 | M184 L187 L188 A205 V206 I207 L212 L213 I233 L265 | M184-I209 HydrophobicContact CE-CG2 4.2Å; M184-I209 HydrophobicContact SD-CB 4.49Å; M184-I209 HydrophobicContact SD-CG1 4.02Å; M184-I209 HydrophobicContact SD-CG2 4.28Å; L187-I209 HydrophobicContact CB-CD1 3.92Å; L187-I209 HydrophobicContact CB-CG1 3.8Å; L187-I209 HydrophobicContact CD1-CG1 3.7Å; L187-I209 HydrophobicContact CG-CG1 4.4Å; L188-I209 HydrophobicContact CD2-CD1 3.82Å; L188-I209 HydrophobicContact CG-CD1 4.27Å; A205-I209 WeakPolarHBondContact O-CD1 3.47Å; A205-I209 VanDerWaalsContact O-CG1 3.23Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.12Å; A205-I209 VanDerWaalsContact O-N 3.09Å; V206-I209 WeakPolarHBondContact O-CB 3.4Å; V206-I209 PolarHBondContact O-N 3.18Å; V206-I209 VanDerWaalsContact O-N 3.11Å; I207-I209 VanDerWaalsContact C-N 3.33Å; I207-I209 PolarHBondContact O-N 3.39Å; I209-L212 PolarHBondContact O-N 2.81Å; I209-L213 HydrophobicContact CG2-CD1 4.16Å; I209-L213 WeakPolarHBondContact O-CG 3.36Å; I209-L213 PolarHBondContact O-N 2.91Å; I209-I233 HydrophobicContact CG2-CD1 3.58Å; I209-L265 HydrophobicContact CG2-CD1 4.03Å; I209-L265 HydrophobicContact CG2-CD2 4.36Å |
| 210 | D | 92.3 | Very high | 88.8 | Confident | 17 Ų | 17 | 26.1 Ų | 26.1 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | -178.5 | -167.3 | 49.7 | 0 | 0 | 0 | 112 | V206 I207 T208 L212 L213 N214 L265 T268 | V206-D210 PolarHBondContact O-N 3Å; I207-D210 PolarHBondContact O-N 2.95Å; T208-D210 VanDerWaalsContact C-N 3.32Å; D210-L212 VanDerWaalsContact C-N 3.28Å; D210-L212 PolarHBondContact O-N 3.02Å; D210-L213 PolarHBondContact O-N 3.16Å; D210-N214 WeakPolarHBondContact O-CB 3.2Å; D210-N214 PolarHBondContact O-N 3.18Å; D210-N214 PolarHBondContact O-ND2 3.5Å; D210-N214 PolarHBondContact OD2-ND2 3Å; D210-L265 HydrophobicContact CB-CD1 4.21Å; D210-L265 WeakPolarHBondContact OD1-CA 3.46Å; D210-T268 WeakPolarHBondContact OD1-CB 3.39Å; D210-T268 PolarHBondContact OD1-OG1 3.44Å |
| 211 | N | 92.1 | Very high | 88.8 | Confident | 34 Ų | 34 | 27.2 Ų | 27.2 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -51.2 | -47 | 174 | -72.8 | -3.4 | 0 | 0 | 0 | 112.1 | T165 S168 I207 L213 N214 I215 | T165-N211 PolarHBondContact O-ND2 3.34Å; S168-N211 WeakPolarHBondContact OG-CB 3.44Å; S168-N211 PolarHBondContact OG-ND2 3.01Å; S168-N211 VanDerWaalsContact OG-ND2 3.09Å; I207-N211 PolarHBondContact O-N 2.64Å; I207-N211 PolarHBondContact O-OD1 2.93Å; N211-L213 VanDerWaalsContact C-N 3.3Å; N211-L213 PolarHBondContact O-N 3.18Å; N211-N214 PolarHBondContact O-N 3.2Å; N211-I215 WeakPolarHBondContact O-CG1 3.46Å; N211-I215 PolarHBondContact O-N 2.95Å; N211-I215 VanDerWaalsContact O-N 3.16Å |
| 212 | L | 91.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -33.2 | 178.9 | -67.8 | 174 | 0 | 0 | 0 | 113 | L171 L176 I183 M184 L187 T208 I209 D210 | L171-L212 HydrophobicContact CD1-CD2 3.6Å; L176-L212 HydrophobicContact CD1-CB 4.02Å; L176-L212 HydrophobicContact CD1-CD2 3.83Å; L176-L212 HydrophobicContact CD1-CG 4.44Å; L176-L212 VanDerWaalsContact CD2-O 3.3Å; L176-L212 WeakPolarHBondContact CD2-O 3.28Å; I183-L212 HydrophobicContact CG2-CD1 4.38Å; M184-L212 HydrophobicContact CE-CB 3.89Å; M184-L212 HydrophobicContact CE-CD1 4.02Å; M184-L212 HydrophobicContact CG-CD1 4.42Å; M184-L212 HydrophobicContact SD-CD1 4.11Å; L187-L212 HydrophobicContact CD1-CD1 4.22Å; T208-L212 VanDerWaalsContact O-CG 3.24Å; T208-L212 WeakPolarHBondContact O-CG 3.02Å; T208-L212 PolarHBondContact O-N 3.24Å; I209-L212 PolarHBondContact O-N 2.81Å; D210-L212 VanDerWaalsContact C-N 3.28Å; D210-L212 PolarHBondContact O-N 3.02Å |
| 213 | L | 89.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -79.1 | -39.4 | 177.4 | -65.8 | 174.6 | 0 | 0 | 0 | 111.6 | M184 I209 D210 N211 I215 A216 V217 L225 F228 V229 I233 L265 T268 L269 | M184-L213 HydrophobicContact CE-CD2 4.13Å; M184-L213 HydrophobicContact CE-CG 4.22Å; I209-L213 HydrophobicContact CG2-CD1 4.16Å; I209-L213 WeakPolarHBondContact O-CG 3.36Å; I209-L213 PolarHBondContact O-N 2.91Å; D210-L213 PolarHBondContact O-N 3.16Å; N211-L213 VanDerWaalsContact C-N 3.3Å; N211-L213 PolarHBondContact O-N 3.18Å; L213-I215 VanDerWaalsContact C-N 3.28Å; L213-I215 PolarHBondContact O-N 2.78Å; L213-A216 WeakPolarHBondContact O-CB 3.37Å; L213-A216 PolarHBondContact O-N 2.68Å; L213-V217 PolarHBondContact O-N 3.12Å; L213-V217 VanDerWaalsContact O-N 3.08Å; L213-L225 HydrophobicContact CB-CD1 4.39Å; L213-L225 HydrophobicContact CD2-CD1 4.07Å; L213-F228 HydrophobicContact CD2-CB 4.15Å; L213-V229 HydrophobicContact CD2-CG2 4.06Å; L213-I233 HydrophobicContact CD1-CD1 4.26Å; L213-I233 HydrophobicContact CD1-CG1 4.14Å; L213-L265 HydrophobicContact CD1-CD1 3.56Å; L213-T268 HydrophobicContact CB-CG2 3.89Å; L213-L269 HydrophobicContact CD1-CD2 3.94Å |
| 214 | N | 88.4 | Confident | 87.9 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.4 | -38 | 177.6 | -75.2 | -29 | 0 | 0 | 0 | 111.7 | D210 N211 A216 V217 M218 T268 | D210-N214 WeakPolarHBondContact O-CB 3.2Å; D210-N214 PolarHBondContact O-N 3.18Å; D210-N214 PolarHBondContact O-ND2 3.5Å; D210-N214 PolarHBondContact OD2-ND2 3Å; N211-N214 PolarHBondContact O-N 3.2Å; N214-A216 VanDerWaalsContact C-N 3.33Å; N214-A216 PolarHBondContact O-N 2.81Å; N214-V217 WeakPolarHBondContact O-CB 3.42Å; N214-V217 PolarHBondContact O-N 3.03Å; N214-V217 VanDerWaalsContact O-N 3.15Å; N214-M218 WeakPolarHBondContact O-CB 3.42Å; N214-M218 VanDerWaalsContact O-CG 3.27Å; N214-M218 WeakPolarHBondContact O-CG 3.17Å; N214-M218 PolarHBondContact O-N 2.77Å; N214-T268 WeakPolarHBondContact OD1-CG2 3.17Å; N214-T268 PolarHBondContact OD1-OG1 3.21Å; N214-T268 VanDerWaalsContact OD1-OG1 3.09Å |
| 215 | I | 86.9 | Confident | 87.6 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | 173.4 | -68.5 | 159.5 | 0 | 0 | 0 | 111.2 | S168 L171 N211 L213 V217 M218 C219 | S168-I215 WeakPolarHBondContact O-CD1 3.41Å; L171-I215 HydrophobicContact CB-CD1 3.72Å; L171-I215 VanDerWaalsContact O-CD1 3.32Å; L171-I215 WeakPolarHBondContact O-CD1 3.45Å; N211-I215 WeakPolarHBondContact O-CG1 3.46Å; N211-I215 PolarHBondContact O-N 2.95Å; N211-I215 VanDerWaalsContact O-N 3.16Å; L213-I215 VanDerWaalsContact C-N 3.28Å; L213-I215 PolarHBondContact O-N 2.78Å; I215-V217 VanDerWaalsContact C-N 3.28Å; I215-V217 PolarHBondContact O-N 3.06Å; I215-M218 PolarHBondContact O-N 2.97Å; I215-C219 WeakPolarHBondContact O-CB 3.4Å; I215-C219 PolarHBondContact O-N 2.97Å; I215-C219 PolarHBondContact O-SG 3.38Å; I215-C219 VanDerWaalsContact O-SG 3.39Å |
| 216 | A | 84.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -32.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | L176 L213 N214 Q220 N221 I224 L225 | L176-A216 HydrophobicContact CD2-CB 3.83Å; L213-A216 WeakPolarHBondContact O-CB 3.37Å; L213-A216 PolarHBondContact O-N 2.68Å; N214-A216 VanDerWaalsContact C-N 3.33Å; N214-A216 PolarHBondContact O-N 2.81Å; A216-Q220 PolarHBondContact O-N 3.37Å; A216-N221 PolarHBondContact O-N 3.06Å; A216-N221 VanDerWaalsContact O-N 3.07Å; A216-I224 HydrophobicContact CB-CG2 4.48Å; A216-L225 HydrophobicContact CB-CB 3.89Å; A216-L225 HydrophobicContact CB-CD1 4.14Å |
| 217 | V | 85.1 | Confident | 86.7 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 16% | 0.158 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69 | -50.5 | 172.9 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | L213 N214 I215 C219 Q220 L225 T268 E272 | L213-V217 PolarHBondContact O-N 3.12Å; L213-V217 VanDerWaalsContact O-N 3.08Å; N214-V217 WeakPolarHBondContact O-CB 3.42Å; N214-V217 PolarHBondContact O-N 3.03Å; N214-V217 VanDerWaalsContact O-N 3.15Å; I215-V217 VanDerWaalsContact C-N 3.28Å; I215-V217 PolarHBondContact O-N 3.06Å; V217-C219 VanDerWaalsContact C-N 3.32Å; V217-C219 PolarHBondContact O-N 2.91Å; V217-Q220 WeakPolarHBondContact O-CA 3.48Å; V217-Q220 PolarHBondContact O-N 3.32Å; V217-L225 HydrophobicContact CG2-CD1 4.16Å; V217-L225 HydrophobicContact CG2-CD2 3.78Å; V217-T268 HydrophobicContact CG2-CG2 4.07Å; V217-E272 HydrophobicContact CG1-CB 3.76Å; V217-E272 HydrophobicContact CG1-CG 4.38Å; V217-E272 WeakPolarHBondContact CG1-OE2 2.88Å; V217-E272 HydrophobicContact CG2-CB 4.17Å |
| 218 | M | 83.9 | Confident | 86.5 | Confident | 133 Ų | 133 | 38 Ų | 38 | 66% | 0.655 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -62.1 | -39.1 | -176.9 | -69.5 | -62.3 | 128.1 | 0 | 0 | 112 | N214 I215 Q220 | N214-M218 WeakPolarHBondContact O-CB 3.42Å; N214-M218 VanDerWaalsContact O-CG 3.27Å; N214-M218 WeakPolarHBondContact O-CG 3.17Å; N214-M218 PolarHBondContact O-N 2.77Å; I215-M218 PolarHBondContact O-N 2.97Å; M218-Q220 PolarHBondContact O-N 3.22Å |
| 219 | C | 81.9 | Confident | 86.1 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 3 | 175 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | D173 I215 V217 N221 | D173-C219 HydrophobicContact CB-CB 3.76Å; I215-C219 WeakPolarHBondContact O-CB 3.4Å; I215-C219 PolarHBondContact O-N 2.97Å; I215-C219 PolarHBondContact O-SG 3.38Å; I215-C219 VanDerWaalsContact O-SG 3.39Å; V217-C219 VanDerWaalsContact C-N 3.32Å; V217-C219 PolarHBondContact O-N 2.91Å; C219-N221 PolarHBondContact O-N 3Å |
| 220 | Q | 81 | Confident | 85.6 | Confident | 103 Ų | 103 | 41.1 Ų | 41.1 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 27.5 | -178.6 | -57.3 | -171 | 8.3 | 0 | 0 | 114.5 | A216 V217 M218 E222 L1015 | A216-Q220 PolarHBondContact O-N 3.37Å; V217-Q220 WeakPolarHBondContact O-CA 3.48Å; V217-Q220 PolarHBondContact O-N 3.32Å; M218-Q220 PolarHBondContact O-N 3.22Å; Q220-E222 PolarHBondContact O-N 3.26Å; Q220-E222 VanDerWaalsContact O-N 3.12Å; Q220-L1015 HydrophobicContact CG-CD1 4.04Å |
| 221 | N | 82.9 | Confident | 85.4 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | trans | -89.9 | 80.1 | -177.8 | -161.3 | -37.3 | 0 | 0 | 0 | 110.5 | A216 C219 D223 I224 L225 | A216-N221 PolarHBondContact O-N 3.06Å; A216-N221 VanDerWaalsContact O-N 3.07Å; C219-N221 PolarHBondContact O-N 3Å; N221-D223 PolarHBondContact O-N 3.31Å; N221-I224 HydrophobicContact CB-CD1 4.26Å; N221-I224 WeakPolarHBondContact ND2-CD1 3.22Å; N221-I224 PolarHBondContact O-N 3.44Å; N221-I224 WeakPolarHBondContact OD1-CG1 3.34Å; N221-I224 PolarHBondContact OD1-N 3.45Å; N221-L225 PolarHBondContact O-N 3.47Å; N221-L225 VanDerWaalsContact O-N 3.16Å | ||
| 222 | E | 80.7 | Confident | 85.2 | Confident | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.6 | -32.8 | -175.7 | -68.5 | -163.8 | 162.2 | 0 | 0 | 113.2 | Q220 N226 K275 | Q220-E222 PolarHBondContact O-N 3.26Å; Q220-E222 VanDerWaalsContact O-N 3.12Å; E222-N226 VanDerWaalsContact O-CB 3.23Å; E222-N226 WeakPolarHBondContact O-CB 3.39Å; E222-N226 PolarHBondContact O-N 2.8Å; E222-N226 PolarHBondContact O-ND2 3.06Å; E222-K275 IonicContact OE1-NZ 2.8Å; E222-K275 IonicContact OE2-NZ 2.79Å; E222-K275 PolarHBondContact OE2-NZ 3.2Å |
| 223 | D | 83.7 | Confident | 85 | Confident | 131 Ų | 131 | 46 Ų | 46 | 70% | 0.701 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -68.3 | -47 | -177.2 | -75.1 | -27.8 | 0 | 0 | 0 | 111.7 | N221 N226 D227 | N221-D223 PolarHBondContact O-N 3.31Å; D223-N226 PolarHBondContact O-N 3.18Å; D223-D227 PolarHBondContact O-N 3.42Å |
| 224 | I | 83.6 | Confident | 84.7 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 14% | 0.138 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 176.7 | -63 | 174.7 | 0 | 0 | 0 | 109.6 | L176 P177 A216 N221 N226 D227 F228 | L176-I224 HydrophobicContact CD2-CG2 3.67Å; L176-I224 HydrophobicContact CG-CG2 4.08Å; P177-I224 HydrophobicContact CG-CD1 3.68Å; P177-I224 HydrophobicContact CG-CG1 4.19Å; A216-I224 HydrophobicContact CB-CG2 4.48Å; N221-I224 HydrophobicContact CB-CD1 4.26Å; N221-I224 WeakPolarHBondContact ND2-CD1 3.22Å; N221-I224 PolarHBondContact O-N 3.44Å; N221-I224 WeakPolarHBondContact OD1-CG1 3.34Å; N221-I224 PolarHBondContact OD1-N 3.45Å; I224-N226 PolarHBondContact O-N 2.8Å; I224-D227 PolarHBondContact O-N 3.05Å; I224-F228 HydrophobicContact CG2-CD2 3.8Å; I224-F228 HydrophobicContact CG2-CE2 3.83Å; I224-F228 VanDerWaalsContact O-CD2 3.25Å; I224-F228 WeakPolarHBondContact O-CD2 3.36Å; I224-F228 PolarHBondContact O-N 2.99Å |
| 225 | L | 84.4 | Confident | 84.6 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.7 | -49.6 | 179.3 | -178.9 | 62.4 | 0 | 0 | 0 | 111.3 | L213 A216 V217 N221 D227 F228 V229 N273 | L213-L225 HydrophobicContact CB-CD1 4.39Å; L213-L225 HydrophobicContact CD2-CD1 4.07Å; A216-L225 HydrophobicContact CB-CB 3.89Å; A216-L225 HydrophobicContact CB-CD1 4.14Å; V217-L225 HydrophobicContact CG2-CD1 4.16Å; V217-L225 HydrophobicContact CG2-CD2 3.78Å; N221-L225 PolarHBondContact O-N 3.47Å; N221-L225 VanDerWaalsContact O-N 3.16Å; L225-D227 PolarHBondContact O-N 3.28Å; L225-F228 PolarHBondContact O-N 3.26Å; L225-V229 HydrophobicContact CD1-CG2 4.07Å; L225-V229 HydrophobicContact CG-CG2 4.43Å; L225-V229 WeakPolarHBondContact O-CB 3.21Å; L225-V229 WeakPolarHBondContact O-CG2 2.96Å; L225-V229 PolarHBondContact O-N 2.96Å; L225-N273 HydrophobicContact CD2-CB 3.85Å |
| 226 | N | 84 | Confident | 84.5 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | -179.5 | -74.4 | -44.2 | 0 | 0 | 0 | 112.3 | E222 D223 I224 N230 N273 N279 | E222-N226 VanDerWaalsContact O-CB 3.23Å; E222-N226 WeakPolarHBondContact O-CB 3.39Å; E222-N226 PolarHBondContact O-N 2.8Å; E222-N226 PolarHBondContact O-ND2 3.06Å; D223-N226 PolarHBondContact O-N 3.18Å; I224-N226 PolarHBondContact O-N 2.8Å; N226-N230 WeakPolarHBondContact O-CB 3.37Å; N226-N230 PolarHBondContact O-N 3.45Å; N226-N230 PolarHBondContact O-ND2 3.04Å; N226-N273 PolarHBondContact OD1-ND2 3.36Å; N226-N279 PolarHBondContact OD1-ND2 3.42Å |
| 227 | D | 85.4 | Confident | 84.4 | Confident | 62 Ų | 62 | 49.2 Ų | 49.2 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 175.4 | -173.6 | 51.1 | 0 | 0 | 0 | 111.5 | D223 I224 L225 R231 | D223-D227 PolarHBondContact O-N 3.42Å; I224-D227 PolarHBondContact O-N 3.05Å; L225-D227 PolarHBondContact O-N 3.28Å; D227-R231 WeakPolarHBondContact O-CB 3.35Å; D227-R231 PolarHBondContact O-N 3.3Å; D227-R231 IonicContact OD1-CZ 2.87Å; D227-R231 IonicContact OD1-NE 2.66Å; D227-R231 IonicContact OD1-NH1 3.56Å; D227-R231 IonicContact OD1-NH2 2.91Å; D227-R231 PolarHBondContact OD1-NH2 2.96Å; D227-R231 IonicContact OD2-CZ 3.17Å; D227-R231 IonicContact OD2-NE 2.67Å; D227-R231 IonicContact OD2-NH1 3.68Å; D227-R231 PolarHBondContact OD2-NH1 3.24Å; D227-R231 IonicContact OD2-NH2 2.92Å; D227-R231 PolarHBondContact OD2-NH2 2.98Å |
| 228 | F | 86.3 | Confident | 84.4 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | -179.5 | -89.3 | -110.3 | 0 | 0 | 0 | 112.4 | L176 P181 M184 L213 I224 L225 Y232 | L176-F228 HydrophobicContact CD1-CD1 4.5Å; L176-F228 HydrophobicContact CD1-CE1 3.8Å; L176-F228 HydrophobicContact CD1-CZ 3.94Å; L176-F228 HydrophobicContact CG-CE1 4.15Å; L176-F228 HydrophobicContact CG-CE2 4.22Å; L176-F228 HydrophobicContact CG-CZ 3.84Å; L176-F228 WeakPolarHBondContact O-CZ 3.33Å; P181-F228 HydrophobicContact CG-CZ 4.42Å; M184-F228 HydrophobicContact CE-CD1 3.82Å; M184-F228 HydrophobicContact CE-CE1 4.42Å; M184-F228 HydrophobicContact CG-CD1 4Å; M184-F228 HydrophobicContact CG-CE1 4.01Å; L213-F228 HydrophobicContact CD2-CB 4.15Å; I224-F228 HydrophobicContact CG2-CD2 3.8Å; I224-F228 HydrophobicContact CG2-CE2 3.83Å; I224-F228 VanDerWaalsContact O-CD2 3.25Å; I224-F228 WeakPolarHBondContact O-CD2 3.36Å; I224-F228 PolarHBondContact O-N 2.99Å; L225-F228 PolarHBondContact O-N 3.26Å; F228-Y232 HydrophobicContact CD1-CD2 4.12Å; F228-Y232 HydrophobicContact CD1-CE2 4.24Å; F228-Y232 HydrophobicContact CE1-CE2 4.44Å; F228-Y232 HydrophobicContact CG-CD2 4.41Å; F228-Y232 WeakPolarHBondContact O-CB 3.18Å; F228-Y232 WeakPolarHBondContact O-CD2 3.33Å; F228-Y232 PolarHBondContact O-N 3.49Å |
| 229 | V | 85.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -61.4 | -51.2 | 178.5 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L213 L225 R231 I233 C234 L269 F276 | L213-V229 HydrophobicContact CD2-CG2 4.06Å; L225-V229 HydrophobicContact CD1-CG2 4.07Å; L225-V229 HydrophobicContact CG-CG2 4.43Å; L225-V229 WeakPolarHBondContact O-CB 3.21Å; L225-V229 WeakPolarHBondContact O-CG2 2.96Å; L225-V229 PolarHBondContact O-N 2.96Å; V229-R231 VanDerWaalsContact C-N 3.35Å; V229-R231 PolarHBondContact O-N 3.3Å; V229-I233 HydrophobicContact CG1-CB 4.47Å; V229-I233 WeakPolarHBondContact O-CB 3.49Å; V229-I233 PolarHBondContact O-N 3.26Å; V229-C234 PolarHBondContact O-N 3.46Å; V229-C234 PolarHBondContact O-SG 3.23Å; V229-L269 HydrophobicContact CG1-CD2 4.21Å; V229-L269 HydrophobicContact CG2-CD2 3.64Å; V229-F276 HydrophobicContact CG1-CD2 3.64Å; V229-F276 HydrophobicContact CG1-CE2 3.48Å; V229-F276 VanDerWaalsContact CG1-CE2 3.48Å |
| 230 | N | 84.6 | Confident | 84.8 | Confident | 67 Ų | 67 | 44.1 Ų | 44.1 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -64.6 | -39.1 | -177.3 | -73.2 | -36.5 | 0 | 0 | 0 | 112.2 | N226 | N226-N230 WeakPolarHBondContact O-CB 3.37Å; N226-N230 PolarHBondContact O-N 3.45Å; N226-N230 PolarHBondContact O-ND2 3.04Å |
| 231 | R | 86.6 | Confident | 85 | Confident | 125 Ų | 125 | 39.9 Ų | 39.9 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -78.5 | -39.6 | -175.9 | -171 | 179.6 | -68.6 | 152.6 | 3.2 | 113.1 | D227 V229 | D227-R231 WeakPolarHBondContact O-CB 3.35Å; D227-R231 PolarHBondContact O-N 3.3Å; D227-R231 IonicContact OD1-CZ 2.87Å; D227-R231 IonicContact OD1-NE 2.66Å; D227-R231 IonicContact OD1-NH1 3.56Å; D227-R231 IonicContact OD1-NH2 2.91Å; D227-R231 PolarHBondContact OD1-NH2 2.96Å; D227-R231 IonicContact OD2-CZ 3.17Å; D227-R231 IonicContact OD2-NE 2.67Å; D227-R231 IonicContact OD2-NH1 3.68Å; D227-R231 PolarHBondContact OD2-NH1 3.24Å; D227-R231 IonicContact OD2-NH2 2.92Å; D227-R231 PolarHBondContact OD2-NH2 2.98Å; V229-R231 VanDerWaalsContact C-N 3.35Å; V229-R231 PolarHBondContact O-N 3.3Å |
| 232 | Y | 88.4 | Confident | 85.3 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -113.2 | -46.3 | -168.3 | -58.5 | -63.5 | 0 | 0 | 0 | 113.5 | P181 M184 P185 L188 F228 S236 | P181-Y232 VanDerWaalsContact CA-OH 3.28Å; P181-Y232 WeakPolarHBondContact CA-OH 3.45Å; P181-Y232 WeakPolarHBondContact CB-OH 3.39Å; M184-Y232 HydrophobicContact CB-CD1 3.97Å; M184-Y232 HydrophobicContact CB-CD2 3.87Å; M184-Y232 HydrophobicContact CB-CE1 4.26Å; M184-Y232 HydrophobicContact CB-CE2 4.16Å; M184-Y232 HydrophobicContact CB-CG 3.77Å; M184-Y232 HydrophobicContact CG-CD2 4.03Å; M184-Y232 HydrophobicContact CG-CE2 4.44Å; M184-Y232 HydrophobicContact CG-CG 4.32Å; P185-Y232 HydrophobicContact CG-CD1 4.36Å; P185-Y232 HydrophobicContact CG-CE1 3.81Å; L188-Y232 WeakPolarHBondContact CD1-O 2.98Å; F228-Y232 HydrophobicContact CD1-CD2 4.12Å; F228-Y232 HydrophobicContact CD1-CE2 4.24Å; F228-Y232 HydrophobicContact CE1-CE2 4.44Å; F228-Y232 HydrophobicContact CG-CD2 4.41Å; F228-Y232 WeakPolarHBondContact O-CB 3.18Å; F228-Y232 WeakPolarHBondContact O-CD2 3.33Å; F228-Y232 PolarHBondContact O-N 3.49Å; Y232-S236 PolarHBondContact O-OG 3.37Å |
| 233 | I | 87.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -80.4 | -47.7 | -173 | -55.7 | -58.4 | 0 | 0 | 0 | 111.8 | I209 L213 V229 S236 L237 I240 L269 | I209-I233 HydrophobicContact CG2-CD1 3.58Å; L213-I233 HydrophobicContact CD1-CD1 4.26Å; L213-I233 HydrophobicContact CD1-CG1 4.14Å; V229-I233 HydrophobicContact CG1-CB 4.47Å; V229-I233 WeakPolarHBondContact O-CB 3.49Å; V229-I233 PolarHBondContact O-N 3.26Å; I233-S236 CarbonylContact O-C 3.29Å; I233-S236 WeakPolarHBondContact O-CA 3.46Å; I233-S236 PolarHBondContact O-N 3.1Å; I233-L237 PolarHBondContact O-N 3.4Å; I233-I240 HydrophobicContact CG2-CD1 4.46Å; I233-L269 HydrophobicContact CG2-CD1 3.65Å; I233-L269 HydrophobicContact CG2-CD2 4.07Å |
| 234 | C | 84.3 | Confident | 85.7 | Confident | 11 Ų | 11 | 30.9 Ų | 30.9 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -52.7 | -43.6 | -178.3 | -73.1 | 0 | 0 | 0 | 0 | 113.8 | V229 S236 L237 F280 | V229-C234 PolarHBondContact O-N 3.46Å; V229-C234 PolarHBondContact O-SG 3.23Å; C234-S236 PolarHBondContact O-N 3.32Å; C234-L237 PolarHBondContact O-N 2.67Å; C234-F280 HydrophobicContact CB-CD2 3.76Å; C234-F280 HydrophobicContact CB-CE2 3.78Å |
| 235 | P | 85.4 | Confident | 85.7 | Confident | 97 Ų | 97 | 33.2 Ų | 33.2 | 63% | 0.63 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -60.8 | -28.7 | 174 | -25.5 | 35.3 | 0 | 0 | 0 | 114.7 | ||
| 236 | S | 85.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -98.2 | -8.2 | -175.1 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | Y232 I233 C234 G238 A239 I240 | Y232-S236 PolarHBondContact O-OG 3.37Å; I233-S236 CarbonylContact O-C 3.29Å; I233-S236 WeakPolarHBondContact O-CA 3.46Å; I233-S236 PolarHBondContact O-N 3.1Å; C234-S236 PolarHBondContact O-N 3.32Å; S236-G238 VanDerWaalsContact C-N 3.27Å; S236-G238 PolarHBondContact O-N 3.26Å; S236-A239 WeakPolarHBondContact O-CA 3.17Å; S236-A239 WeakPolarHBondContact O-CB 3.36Å; S236-A239 PolarHBondContact O-N 3.33Å; S236-I240 PolarHBondContact O-N 2.99Å |
| 237 | L | 82.9 | Confident | 85 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.9 | -37.4 | -175.2 | -173.2 | 64.8 | 0 | 0 | 0 | 112.9 | I233 C234 A239 I240 I241 F276 Y283 | I233-L237 PolarHBondContact O-N 3.4Å; C234-L237 PolarHBondContact O-N 2.67Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 2.97Å; L237-I240 PolarHBondContact O-N 2.77Å; L237-I241 HydrophobicContact CD1-CD1 4.23Å; L237-I241 HydrophobicContact CD1-CG1 4.4Å; L237-I241 HydrophobicContact CD2-CD1 4.41Å; L237-I241 HydrophobicContact CG-CD1 3.86Å; L237-I241 HydrophobicContact CG-CG1 4.41Å; L237-I241 WeakPolarHBondContact O-CB 3.49Å; L237-I241 WeakPolarHBondContact O-CG1 3.22Å; L237-I241 PolarHBondContact O-N 3.35Å; L237-F276 HydrophobicContact CD1-CZ 4.41Å; L237-F276 HydrophobicContact CD2-CE1 4.45Å; L237-F276 HydrophobicContact CD2-CZ 4.09Å; L237-Y283 HydrophobicContact CD2-CD2 3.69Å; L237-Y283 HydrophobicContact CD2-CE2 4.13Å; L237-Y283 HydrophobicContact CD2-CG 4.34Å; L237-Y283 HydrophobicContact CG-CD2 4.46Å; L237-Y283 HydrophobicContact CG-CE2 4.47Å |
| 238 | G | 84.7 | Confident | 84.3 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 40% | 0.402 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.7 | -34.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S236 S242 | S236-G238 VanDerWaalsContact C-N 3.27Å; S236-G238 PolarHBondContact O-N 3.26Å; G238-S242 WeakPolarHBondContact O-CB 3.3Å; G238-S242 PolarHBondContact O-N 2.95Å |
| 239 | A | 86.7 | Confident | 83.4 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.5 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S236 L237 I241 S242 D243 | S236-A239 WeakPolarHBondContact O-CA 3.17Å; S236-A239 WeakPolarHBondContact O-CB 3.36Å; S236-A239 PolarHBondContact O-N 3.33Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 2.97Å; A239-I241 PolarHBondContact O-N 3.13Å; A239-S242 WeakPolarHBondContact O-CB 3.37Å; A239-S242 PolarHBondContact O-N 3.47Å; A239-D243 PolarHBondContact O-N 3Å |
| 240 | I | 87.7 | Confident | 82.7 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 174.8 | -67.4 | 167.6 | 0 | 0 | 0 | 110.8 | Y191 I233 S236 L237 S242 D243 L244 L262 L265 | Y191-I240 HydrophobicContact CE1-CG1 3.97Å; Y191-I240 WeakPolarHBondContact OH-CA 3.39Å; I233-I240 HydrophobicContact CG2-CD1 4.46Å; S236-I240 PolarHBondContact O-N 2.99Å; L237-I240 PolarHBondContact O-N 2.77Å; I240-S242 VanDerWaalsContact C-N 3.33Å; I240-S242 PolarHBondContact O-N 3.44Å; I240-D243 PolarHBondContact O-N 3.25Å; I240-L244 HydrophobicContact CG2-CD1 4.16Å; I240-L244 WeakPolarHBondContact O-CG 3.45Å; I240-L244 PolarHBondContact O-N 3.46Å; I240-L262 HydrophobicContact CG2-CD2 4.22Å; I240-L265 HydrophobicContact CD1-CD2 4.23Å |
| 241 | I | 85.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 177.1 | -69.6 | 171.4 | 0 | 0 | 0 | 111 | L237 A239 D243 L244 T245 Y283 M288 I291 | L237-I241 HydrophobicContact CD1-CD1 4.23Å; L237-I241 HydrophobicContact CD1-CG1 4.4Å; L237-I241 HydrophobicContact CD2-CD1 4.41Å; L237-I241 HydrophobicContact CG-CD1 3.86Å; L237-I241 HydrophobicContact CG-CG1 4.41Å; L237-I241 WeakPolarHBondContact O-CB 3.49Å; L237-I241 WeakPolarHBondContact O-CG1 3.22Å; L237-I241 PolarHBondContact O-N 3.35Å; A239-I241 PolarHBondContact O-N 3.13Å; I241-D243 VanDerWaalsContact C-N 3.34Å; I241-D243 PolarHBondContact O-N 3.41Å; I241-L244 PolarHBondContact O-N 3.44Å; I241-T245 HydrophobicContact CG2-CG2 4.21Å; I241-T245 WeakPolarHBondContact O-CB 3.34Å; I241-T245 VanDerWaalsContact O-CG2 3.29Å; I241-T245 WeakPolarHBondContact O-CG2 3.34Å; I241-T245 PolarHBondContact O-N 3.33Å; I241-T245 PolarHBondContact O-OG1 3.21Å; I241-Y283 HydrophobicContact CD1-CD1 3.67Å; I241-Y283 HydrophobicContact CD1-CD2 4.29Å; I241-Y283 HydrophobicContact CD1-CE1 3.32Å; I241-Y283 HydrophobicContact CD1-CE2 4Å; I241-Y283 HydrophobicContact CD1-CG 4.15Å; I241-M288 HydrophobicContact CD1-SD 3.83Å; I241-M288 HydrophobicContact CG1-SD 4.28Å; I241-I291 HydrophobicContact CB-CD1 4.47Å; I241-I291 HydrophobicContact CD1-CD1 4.29Å; I241-I291 HydrophobicContact CG1-CD1 4.18Å; I241-I291 HydrophobicContact CG2-CD1 3.57Å; I241-I291 HydrophobicContact CG2-CG1 4.49Å |
| 242 | S | 88 | Confident | 81.9 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 175.1 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | G238 A239 I240 T245 T246 | G238-S242 WeakPolarHBondContact O-CB 3.3Å; G238-S242 PolarHBondContact O-N 2.95Å; A239-S242 WeakPolarHBondContact O-CB 3.37Å; A239-S242 PolarHBondContact O-N 3.47Å; I240-S242 VanDerWaalsContact C-N 3.33Å; I240-S242 PolarHBondContact O-N 3.44Å; S242-T245 WeakPolarHBondContact CA-OG1 3.06Å; S242-T245 PolarHBondContact O-N 3.35Å; S242-T245 PolarHBondContact O-OG1 3.34Å; S242-T246 PolarHBondContact O-N 3.2Å; S242-T246 VanDerWaalsContact O-N 3.08Å; S242-T246 PolarHBondContact O-OG1 3.29Å |
| 243 | D | 87.7 | Confident | 81.6 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 9% | 0.086 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.9 | -36.7 | -179.6 | -80.7 | 15.2 | 0 | 0 | 0 | 111.8 | Y191 K194 R202 A239 I240 I241 K259 L262 | Y191-D243 PolarHBondContact OH-OD2 3.05Å; K194-D243 WeakPolarHBondContact CE-OD1 3.49Å; K194-D243 IonicContact NZ-OD1 2.64Å; K194-D243 PolarHBondContact NZ-OD1 2.96Å; K194-D243 IonicContact NZ-OD2 2.68Å; R202-D243 IonicContact CZ-OD2 2.85Å; R202-D243 IonicContact NH2-OD2 3.42Å; R202-D243 PolarHBondContact NH2-OD2 2.9Å; A239-D243 PolarHBondContact O-N 3Å; I240-D243 PolarHBondContact O-N 3.25Å; I241-D243 VanDerWaalsContact C-N 3.34Å; I241-D243 PolarHBondContact O-N 3.41Å; D243-K259 WeakPolarHBondContact O-CE 3.37Å; D243-L262 HydrophobicContact CB-CD1 4Å |
| 244 | L | 85.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 172.6 | -73.2 | 170.3 | 0 | 0 | 0 | 112.2 | I240 I241 T246 K259 L262 I263 L266 I291 L295 | I240-L244 HydrophobicContact CG2-CD1 4.16Å; I240-L244 WeakPolarHBondContact O-CG 3.45Å; I240-L244 PolarHBondContact O-N 3.46Å; I241-L244 PolarHBondContact O-N 3.44Å; L244-T246 VanDerWaalsContact C-N 3.34Å; L244-T246 PolarHBondContact O-N 3.41Å; L244-K259 HydrophobicContact CD2-CB 4.43Å; L244-L262 HydrophobicContact CD1-CB 4.47Å; L244-L262 HydrophobicContact CD2-CB 3.72Å; L244-L262 HydrophobicContact CD2-CD1 4.33Å; L244-L262 HydrophobicContact CG-CB 4.14Å; L244-L262 HydrophobicContact CG-CD1 4.32Å; L244-I263 HydrophobicContact CD2-CG1 4.04Å; L244-L266 HydrophobicContact CD1-CD1 3.32Å; L244-L266 HydrophobicContact CD1-CG 4.07Å; L244-I291 HydrophobicContact CB-CG2 4.35Å; L244-L295 HydrophobicContact CB-CD1 4.3Å; L244-L295 HydrophobicContact CD2-CD1 4.02Å; L244-L295 VanDerWaalsContact O-CD2 3.29Å; L244-L295 WeakPolarHBondContact O-CD2 3.47Å |
| 245 | T | 83.8 | Confident | 81 | Confident | 77 Ų | 77 | 52.6 Ų | 52.6 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -79.7 | -11.3 | -176.4 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | I241 S242 Y247 I291 | I241-T245 HydrophobicContact CG2-CG2 4.21Å; I241-T245 WeakPolarHBondContact O-CB 3.34Å; I241-T245 VanDerWaalsContact O-CG2 3.29Å; I241-T245 WeakPolarHBondContact O-CG2 3.34Å; I241-T245 PolarHBondContact O-N 3.33Å; I241-T245 PolarHBondContact O-OG1 3.21Å; S242-T245 WeakPolarHBondContact CA-OG1 3.06Å; S242-T245 PolarHBondContact O-N 3.35Å; S242-T245 PolarHBondContact O-OG1 3.34Å; T245-Y247 PolarHBondContact O-N 3.48Å; T245-Y247 VanDerWaalsContact O-N 3.13Å; T245-I291 HydrophobicContact CG2-CG1 4.12Å; T245-I291 HydrophobicContact CG2-CG2 3.98Å |
| 246 | T | 81.8 | Confident | 81 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | trans | -69.8 | 109.9 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 110 | S242 L244 K259 | S242-T246 PolarHBondContact O-N 3.2Å; S242-T246 VanDerWaalsContact O-N 3.08Å; S242-T246 PolarHBondContact O-OG1 3.29Å; L244-T246 VanDerWaalsContact C-N 3.34Å; L244-T246 PolarHBondContact O-N 3.41Å; T246-K259 PolarHBondContact O-NZ 2.96Å | ||
| 247 | Y | 70.5 | Confident | 81 | Confident | 103 Ų | 103 | 47.9 Ų | 47.9 | 40% | 0.404 | 28% | 0.276 | S | S | . | . | trans | -94.8 | 123.9 | 177.4 | -177.2 | -107 | 0 | 0 | 0 | 110.8 | T245 E249 S298 K301 | T245-Y247 PolarHBondContact O-N 3.48Å; T245-Y247 VanDerWaalsContact O-N 3.13Å; Y247-E249 HydrophobicContact CD1-CG 4.36Å; Y247-E249 HydrophobicContact CE1-CG 3.42Å; Y247-E249 VanDerWaalsContact CE1-CG 3.42Å; Y247-S298 WeakPolarHBondContact CD2-OG 3.29Å; Y247-S298 WeakPolarHBondContact CE2-OG 3.2Å; Y247-K301 PolarHBondContact OH-NZ 3.42Å | ||
| 248 | D | 71.2 | Confident | 81.2 | Confident | 73 Ų | 73 | 48 Ų | 48 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | trans | -126.1 | 125.2 | 167.1 | -168.3 | -13 | 0 | 0 | 0 | 108 | N250 S251 Q302 | D248-N250 PolarHBondContact O-N 3.01Å; D248-N250 PolarHBondContact OD1-N 2.75Å; D248-N250 VanDerWaalsContact OD1-N 3.09Å; D248-S251 PolarHBondContact O-N 3.01Å; D248-S251 PolarHBondContact O-OG 3.07Å; D248-S251 VanDerWaalsContact O-OG 3.06Å; D248-Q302 PolarHBondContact O-NE2 2.64Å | ||
| 249 | E | 66.8 | Low | 81.4 | Confident | 120 Ų | 120 | 47.2 Ų | 47.2 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.2 | 178.9 | -69.2 | -166 | 141.3 | 0 | 0 | 111.7 | Y247 K301 | Y247-E249 HydrophobicContact CD1-CG 4.36Å; Y247-E249 HydrophobicContact CE1-CG 3.42Å; Y247-E249 VanDerWaalsContact CE1-CG 3.42Å; E249-K301 IonicContact OE1-NZ 2.84Å; E249-K301 PolarHBondContact OE1-NZ 3.18Å |
| 250 | N | 71.2 | Confident | 81.6 | Confident | 137 Ų | 137 | 45.2 Ų | 45.2 | 73% | 0.733 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 33.7 | 179.9 | -61.2 | -47.2 | 0 | 0 | 0 | 112.4 | D248 T252 | D248-N250 PolarHBondContact O-N 3.01Å; D248-N250 PolarHBondContact OD1-N 2.75Å; D248-N250 VanDerWaalsContact OD1-N 3.09Å; N250-T252 PolarHBondContact O-N 2.89Å |
| 251 | S | 76.4 | Confident | 81.7 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | trans | -56.9 | 126.8 | 175.7 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | D248 Q255 | D248-S251 PolarHBondContact O-N 3.01Å; D248-S251 PolarHBondContact O-OG 3.07Å; D248-S251 VanDerWaalsContact O-OG 3.06Å; S251-Q255 VanDerWaalsContact CA-OE1 3.22Å | ||
| 252 | T | 79 | Confident | 82 | Confident | 62 Ų | 62 | 46 Ų | 46 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | trans | -69 | 159.9 | 173.3 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | N250 S254 Q255 V256 | N250-T252 PolarHBondContact O-N 2.89Å; T252-S254 PolarHBondContact O-N 3.28Å; T252-Q255 WeakPolarHBondContact O-CB 3.42Å; T252-Q255 PolarHBondContact O-N 3.07Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.39Å; T252-Q255 PolarHBondContact OG1-N 2.89Å; T252-V256 PolarHBondContact O-N 3.07Å; T252-V256 VanDerWaalsContact O-N 3.17Å | ||
| 253 | I | 80.6 | Confident | 82.2 | Confident | 47 Ų | 47 | 43.3 Ų | 43.3 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -38.4 | -179.6 | -55.1 | 173.4 | 0 | 0 | 0 | 109.7 | Q255 V256 S257 E319 L327 | I253-Q255 VanDerWaalsContact C-N 3.29Å; I253-Q255 PolarHBondContact O-N 2.93Å; I253-V256 PolarHBondContact O-N 3.48Å; I253-V256 VanDerWaalsContact O-N 3.12Å; I253-S257 WeakPolarHBondContact O-CB 3.44Å; I253-S257 PolarHBondContact O-N 3.24Å; I253-E319 HydrophobicContact CB-CB 4.39Å; I253-E319 HydrophobicContact CB-CG 4.47Å; I253-E319 WeakPolarHBondContact CB-OE2 3.39Å; I253-E319 HydrophobicContact CD1-CB 4.39Å; I253-E319 HydrophobicContact CD1-CG 4.35Å; I253-E319 PolarHBondContact N-OE1 3.38Å; I253-E319 PolarHBondContact N-OE2 3.31Å; I253-L327 HydrophobicContact CG2-CB 3.73Å; I253-L327 WeakPolarHBondContact CG2-O 3.41Å |
| 254 | S | 78 | Confident | 82.3 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55 | -39.7 | 170.9 | -172.6 | 0 | 0 | 0 | 0 | 113.8 | T252 V256 H258 E319 | T252-S254 PolarHBondContact O-N 3.28Å; S254-V256 VanDerWaalsContact C-N 3.33Å; S254-H258 PolarHBondContact O-N 3.39Å; S254-H258 VanDerWaalsContact O-N 3.16Å; S254-E319 PolarHBondContact N-OE2 3.43Å |
| 255 | Q | 82.3 | Confident | 82.6 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 177.3 | -78.9 | 175.7 | 1.6 | 0 | 0 | 112.8 | S251 T252 I253 K259 | S251-Q255 VanDerWaalsContact CA-OE1 3.22Å; T252-Q255 WeakPolarHBondContact O-CB 3.42Å; T252-Q255 PolarHBondContact O-N 3.07Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.39Å; T252-Q255 PolarHBondContact OG1-N 2.89Å; I253-Q255 VanDerWaalsContact C-N 3.29Å; I253-Q255 PolarHBondContact O-N 2.93Å; Q255-K259 PolarHBondContact O-N 3.15Å |
| 256 | V | 85.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.1 | -42.1 | -179.3 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | T252 I253 S254 H258 K259 G260 Y329 F332 | T252-V256 PolarHBondContact O-N 3.07Å; T252-V256 VanDerWaalsContact O-N 3.17Å; I253-V256 PolarHBondContact O-N 3.48Å; I253-V256 VanDerWaalsContact O-N 3.12Å; S254-V256 VanDerWaalsContact C-N 3.33Å; V256-H258 VanDerWaalsContact C-N 3.32Å; V256-H258 PolarHBondContact O-N 3.38Å; V256-K259 WeakPolarHBondContact O-CA 3.38Å; V256-K259 WeakPolarHBondContact O-CB 3.48Å; V256-K259 PolarHBondContact O-N 2.76Å; V256-G260 PolarHBondContact O-N 2.96Å; V256-Y329 HydrophobicContact CB-CE2 4.39Å; V256-Y329 HydrophobicContact CG1-CD2 4.04Å; V256-Y329 HydrophobicContact CG1-CE2 3.78Å; V256-Y329 HydrophobicContact CG2-CE2 4.05Å; V256-F332 HydrophobicContact CB-CG 4.48Å; V256-F332 HydrophobicContact CG1-CB 3.35Å; V256-F332 HydrophobicContact CG1-CD1 3.12Å; V256-F332 HydrophobicContact CG1-CD2 3.7Å; V256-F332 HydrophobicContact CG1-CE1 3.68Å; V256-F332 HydrophobicContact CG1-CE2 4.21Å; V256-F332 HydrophobicContact CG1-CG 3.09Å; V256-F332 HydrophobicContact CG1-CZ 4.18Å; V256-F332 VanDerWaalsContact O-CD2 3.3Å; V256-F332 WeakPolarHBondContact O-CD2 3.27Å |
| 257 | S | 84.7 | Confident | 82.9 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56 | -43.6 | 172.6 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | R203 I253 K259 G260 E261 | R203-S257 WeakPolarHBondContact CD-OG 3.32Å; R203-S257 PolarHBondContact NE-OG 3Å; I253-S257 WeakPolarHBondContact O-CB 3.44Å; I253-S257 PolarHBondContact O-N 3.24Å; S257-K259 VanDerWaalsContact C-N 3.3Å; S257-K259 PolarHBondContact O-N 2.65Å; S257-G260 WeakPolarHBondContact O-CA 3.38Å; S257-G260 PolarHBondContact O-N 3.49Å; S257-G260 VanDerWaalsContact O-N 3.07Å; S257-E261 PolarHBondContact O-N 2.88Å |
| 258 | H | 87.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 174.4 | -176.9 | 70.4 | 0 | 0 | 0 | 113.3 | Y191 Q199 R203 S254 V256 G260 E261 L262 | Y191-H258 AromaticContact CE2-NE2 3.79Å; Q199-H258 HydrophobicContact CG-CB 3.85Å; R203-H258 VanDerWaalsContact CA-ND1 3.3Å; R203-H258 WeakPolarHBondContact CA-ND1 3.34Å; R203-H258 HydrophobicContact CB-CB 4.49Å; R203-H258 PolarHBondContact N-ND1 3.41Å; S254-H258 PolarHBondContact O-N 3.39Å; S254-H258 VanDerWaalsContact O-N 3.16Å; V256-H258 VanDerWaalsContact C-N 3.32Å; V256-H258 PolarHBondContact O-N 3.38Å; H258-G260 VanDerWaalsContact C-N 3.32Å; H258-E261 PolarHBondContact O-N 2.91Å; H258-L262 PolarHBondContact O-N 2.79Å |
| 259 | K | 89.6 | Confident | 84.2 | Confident | 22 Ų | 22 | 29.4 Ų | 29.4 | 10% | 0.096 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -34.6 | 174.1 | -70.2 | -179.7 | 175.8 | -175.9 | 0 | 111.6 | D243 L244 T246 Q255 V256 S257 E261 L262 I263 F332 | D243-K259 WeakPolarHBondContact O-CE 3.37Å; L244-K259 HydrophobicContact CD2-CB 4.43Å; T246-K259 PolarHBondContact O-NZ 2.96Å; Q255-K259 PolarHBondContact O-N 3.15Å; V256-K259 WeakPolarHBondContact O-CA 3.38Å; V256-K259 WeakPolarHBondContact O-CB 3.48Å; V256-K259 PolarHBondContact O-N 2.76Å; S257-K259 VanDerWaalsContact C-N 3.3Å; S257-K259 PolarHBondContact O-N 2.65Å; K259-E261 VanDerWaalsContact C-N 3.35Å; K259-E261 PolarHBondContact O-N 3.47Å; K259-L262 PolarHBondContact O-N 3.42Å; K259-I263 WeakPolarHBondContact O-CG1 3.33Å; K259-I263 PolarHBondContact O-N 3.21Å; K259-F332 HydrophobicContact CB-CD2 4.32Å; K259-F332 HydrophobicContact CB-CE2 3.71Å |
| 260 | G | 89.7 | Confident | 84.8 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.1 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V256 S257 H258 L262 I263 Q264 | V256-G260 PolarHBondContact O-N 2.96Å; S257-G260 WeakPolarHBondContact O-CA 3.38Å; S257-G260 PolarHBondContact O-N 3.49Å; S257-G260 VanDerWaalsContact O-N 3.07Å; H258-G260 VanDerWaalsContact C-N 3.32Å; G260-L262 VanDerWaalsContact C-N 3.34Å; G260-L262 PolarHBondContact O-N 3.29Å; G260-I263 WeakPolarHBondContact O-CA 3.47Å; G260-I263 WeakPolarHBondContact O-CB 3.33Å; G260-I263 PolarHBondContact O-N 3.29Å; G260-Q264 PolarHBondContact O-N 3.42Å |
| 261 | E | 91 | Very high | 85 | Confident | 33 Ų | 33 | 19.2 Ų | 19.2 | 15% | 0.154 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -36.4 | 177.3 | -52.8 | -51.8 | 163.3 | 0 | 0 | 113.2 | R203 V206 I207 S257 H258 K259 I263 Q264 L265 | R203-E261 HydrophobicContact CG-CB 4.41Å; R203-E261 HydrophobicContact CG-CG 3.44Å; R203-E261 VanDerWaalsContact CG-CG 3.44Å; R203-E261 IonicContact CZ-OE1 3.76Å; R203-E261 IonicContact NE-OE1 3.5Å; R203-E261 PolarHBondContact NE-OE1 3.07Å; R203-E261 IonicContact NH2-OE1 2.66Å; R203-E261 PolarHBondContact NH2-OE1 3.28Å; V206-E261 HydrophobicContact CB-CB 4.38Å; V206-E261 HydrophobicContact CG1-CB 3.85Å; I207-E261 HydrophobicContact CD1-CG 4.14Å; I207-E261 HydrophobicContact CG1-CB 4.33Å; I207-E261 HydrophobicContact CG1-CG 3.81Å; S257-E261 PolarHBondContact O-N 2.88Å; H258-E261 PolarHBondContact O-N 2.91Å; K259-E261 VanDerWaalsContact C-N 3.35Å; K259-E261 PolarHBondContact O-N 3.47Å; E261-I263 PolarHBondContact O-N 3.32Å; E261-Q264 PolarHBondContact O-N 3.28Å; E261-L265 PolarHBondContact O-N 2.97Å |
| 262 | L | 92.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.6 | -31.1 | 174.2 | -69.7 | 173.6 | 0 | 0 | 0 | 111.7 | Y191 V206 I240 D243 L244 H258 K259 G260 L266 | Y191-L262 HydrophobicContact CE2-CD2 3.98Å; V206-L262 HydrophobicContact CB-CD2 4.47Å; V206-L262 HydrophobicContact CG1-CD2 3.88Å; V206-L262 HydrophobicContact CG1-CG 4.43Å; V206-L262 HydrophobicContact CG2-CD2 3.69Å; V206-L262 HydrophobicContact CG2-CG 4.45Å; I240-L262 HydrophobicContact CG2-CD2 4.22Å; D243-L262 HydrophobicContact CB-CD1 4Å; L244-L262 HydrophobicContact CD1-CB 4.47Å; L244-L262 HydrophobicContact CD2-CB 3.72Å; L244-L262 HydrophobicContact CD2-CD1 4.33Å; L244-L262 HydrophobicContact CG-CB 4.14Å; L244-L262 HydrophobicContact CG-CD1 4.32Å; H258-L262 PolarHBondContact O-N 2.79Å; K259-L262 PolarHBondContact O-N 3.42Å; G260-L262 VanDerWaalsContact C-N 3.34Å; G260-L262 PolarHBondContact O-N 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 3.3Å; L262-L266 VanDerWaalsContact O-N 3.07Å |
| 263 | I | 91.1 | Very high | 85 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.1 | -42.2 | 173.8 | -68.3 | 167.2 | 0 | 0 | 0 | 110.5 | L244 K259 G260 E261 L265 L266 I267 L295 F332 S335 I336 C339 | L244-I263 HydrophobicContact CD2-CG1 4.04Å; K259-I263 WeakPolarHBondContact O-CG1 3.33Å; K259-I263 PolarHBondContact O-N 3.21Å; G260-I263 WeakPolarHBondContact O-CA 3.47Å; G260-I263 WeakPolarHBondContact O-CB 3.33Å; G260-I263 PolarHBondContact O-N 3.29Å; E261-I263 PolarHBondContact O-N 3.32Å; I263-L265 VanDerWaalsContact C-N 3.34Å; I263-L265 PolarHBondContact O-N 3.41Å; I263-L266 WeakPolarHBondContact O-CA 3.3Å; I263-L266 WeakPolarHBondContact O-CB 3.46Å; I263-L266 PolarHBondContact O-N 2.83Å; I263-I267 WeakPolarHBondContact O-CG1 3.24Å; I263-I267 PolarHBondContact O-N 2.99Å; I263-L295 HydrophobicContact CD1-CD1 4.26Å; I263-L295 HydrophobicContact CG1-CD1 4.42Å; I263-F332 HydrophobicContact CD1-CD2 4.4Å; I263-F332 HydrophobicContact CD1-CE2 3.75Å; I263-S335 WeakPolarHBondContact CG2-O 3.45Å; I263-I336 HydrophobicContact CD1-CD1 4.35Å; I263-I336 HydrophobicContact CD1-CG1 3.5Å; I263-I336 VanDerWaalsContact CD1-CG1 3.5Å; I263-C339 HydrophobicContact CG2-CB 3.57Å |
| 264 | Q | 90.5 | Very high | 84.5 | Confident | 37 Ų | 37 | 26.7 Ų | 26.7 | 17% | 0.173 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.8 | -48.4 | 174.3 | -63.9 | -62.3 | 6.8 | 0 | 0 | 111 | G260 E261 L266 I267 T268 | G260-Q264 PolarHBondContact O-N 3.42Å; E261-Q264 PolarHBondContact O-N 3.28Å; Q264-L266 PolarHBondContact O-N 3.25Å; Q264-L266 VanDerWaalsContact O-N 3.17Å; Q264-I267 WeakPolarHBondContact O-CA 3.39Å; Q264-I267 WeakPolarHBondContact O-CB 3.24Å; Q264-I267 PolarHBondContact O-N 2.8Å; Q264-T268 PolarHBondContact O-N 3.49Å; Q264-T268 PolarHBondContact O-OG1 2.92Å |
| 265 | L | 90.6 | Very high | 84.2 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.5 | -37.1 | 173 | -180 | 62.7 | 0 | 0 | 0 | 112.9 | V206 I209 D210 L213 I240 E261 I263 L269 | V206-L265 HydrophobicContact CG1-CB 4.37Å; V206-L265 HydrophobicContact CG1-CD2 4.24Å; I209-L265 HydrophobicContact CG2-CD1 4.03Å; I209-L265 HydrophobicContact CG2-CD2 4.36Å; D210-L265 HydrophobicContact CB-CD1 4.21Å; D210-L265 WeakPolarHBondContact OD1-CA 3.46Å; L213-L265 HydrophobicContact CD1-CD1 3.56Å; I240-L265 HydrophobicContact CD1-CD2 4.23Å; E261-L265 PolarHBondContact O-N 2.97Å; I263-L265 VanDerWaalsContact C-N 3.34Å; I263-L265 PolarHBondContact O-N 3.41Å; L265-L269 HydrophobicContact CD1-CD1 4.15Å; L265-L269 HydrophobicContact CD1-CG 4.31Å; L265-L269 HydrophobicContact CG-CD1 3.94Å; L265-L269 WeakPolarHBondContact O-CB 3.44Å; L265-L269 WeakPolarHBondContact O-CD1 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.08Å; L265-L269 VanDerWaalsContact O-N 3.08Å |
| 266 | L | 86.4 | Confident | 83.8 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69 | -30.6 | 175.2 | -75.3 | -173.5 | 0 | 0 | 0 | 113.5 | L244 L262 I263 Q264 C270 M288 | L244-L266 HydrophobicContact CD1-CD1 3.32Å; L244-L266 HydrophobicContact CD1-CG 4.07Å; L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 3.3Å; L262-L266 VanDerWaalsContact O-N 3.07Å; I263-L266 WeakPolarHBondContact O-CA 3.3Å; I263-L266 WeakPolarHBondContact O-CB 3.46Å; I263-L266 PolarHBondContact O-N 2.83Å; Q264-L266 PolarHBondContact O-N 3.25Å; Q264-L266 VanDerWaalsContact O-N 3.17Å; L266-C270 WeakPolarHBondContact O-CB 3.34Å; L266-C270 PolarHBondContact O-N 2.97Å; L266-C270 PolarHBondContact O-SG 2.96Å; L266-C270 VanDerWaalsContact O-SG 3.38Å; L266-M288 HydrophobicContact CD1-CE 3.46Å; L266-M288 VanDerWaalsContact CD1-CE 3.46Å; L266-M288 HydrophobicContact CD2-CE 3.38Å; L266-M288 HydrophobicContact CG-CE 4.02Å |
| 267 | I | 85.6 | Confident | 83.2 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -52.1 | 175.3 | -64.8 | 172.5 | 0 | 0 | 0 | 109.2 | I263 Q264 L269 C270 V271 E272 Q338 C339 | I263-I267 WeakPolarHBondContact O-CG1 3.24Å; I263-I267 PolarHBondContact O-N 2.99Å; Q264-I267 WeakPolarHBondContact O-CA 3.39Å; Q264-I267 WeakPolarHBondContact O-CB 3.24Å; Q264-I267 PolarHBondContact O-N 2.8Å; I267-L269 VanDerWaalsContact C-N 3.29Å; I267-L269 PolarHBondContact O-N 3.05Å; I267-C270 PolarHBondContact O-N 3.07Å; I267-V271 HydrophobicContact CG2-CB 4.32Å; I267-V271 HydrophobicContact CG2-CG2 4.36Å; I267-V271 WeakPolarHBondContact O-CA 3.23Å; I267-V271 WeakPolarHBondContact O-CB 3.45Å; I267-V271 PolarHBondContact O-N 3.23Å; I267-E272 PolarHBondContact O-N 3.5Å; I267-Q338 HydrophobicContact CD1-CB 4.34Å; I267-Q338 HydrophobicContact CD1-CG 4.09Å; I267-C339 HydrophobicContact CD1-CB 3.69Å; I267-C339 HydrophobicContact CG1-CB 3.74Å |
| 268 | T | 86 | Confident | 82.4 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -52 | -47.9 | 175.4 | -44.8 | 0 | 0 | 0 | 0 | 111.3 | D210 L213 N214 V217 Q264 E272 N273 | D210-T268 WeakPolarHBondContact OD1-CB 3.39Å; D210-T268 PolarHBondContact OD1-OG1 3.44Å; L213-T268 HydrophobicContact CB-CG2 3.89Å; N214-T268 WeakPolarHBondContact OD1-CG2 3.17Å; N214-T268 PolarHBondContact OD1-OG1 3.21Å; N214-T268 VanDerWaalsContact OD1-OG1 3.09Å; V217-T268 HydrophobicContact CG2-CG2 4.07Å; Q264-T268 PolarHBondContact O-N 3.49Å; Q264-T268 PolarHBondContact O-OG1 2.92Å; T268-E272 WeakPolarHBondContact O-CB 3.4Å; T268-N273 PolarHBondContact O-N 3.36Å |
| 269 | L | 83.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -72.9 | -42.1 | -177.8 | -67 | 170.7 | 0 | 0 | 0 | 114 | L213 V229 I233 L265 I267 F276 | L213-L269 HydrophobicContact CD1-CD2 3.94Å; V229-L269 HydrophobicContact CG1-CD2 4.21Å; V229-L269 HydrophobicContact CG2-CD2 3.64Å; I233-L269 HydrophobicContact CG2-CD1 3.65Å; I233-L269 HydrophobicContact CG2-CD2 4.07Å; L265-L269 HydrophobicContact CD1-CD1 4.15Å; L265-L269 HydrophobicContact CD1-CG 4.31Å; L265-L269 HydrophobicContact CG-CD1 3.94Å; L265-L269 WeakPolarHBondContact O-CB 3.44Å; L265-L269 WeakPolarHBondContact O-CD1 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.08Å; L265-L269 VanDerWaalsContact O-N 3.08Å; I267-L269 VanDerWaalsContact C-N 3.29Å; I267-L269 PolarHBondContact O-N 3.05Å; L269-F276 HydrophobicContact CB-CD2 4.23Å; L269-F276 HydrophobicContact CB-CE2 4.06Å; L269-F276 HydrophobicContact CB-CZ 4.32Å; L269-F276 HydrophobicContact CD2-CD2 4.33Å; L269-F276 HydrophobicContact CD2-CE2 3.98Å; L269-F276 HydrophobicContact CG-CE2 4.42Å; L269-F276 WeakPolarHBondContact O-CB 3.34Å; L269-F276 WeakPolarHBondContact O-CG 3.22Å |
| 270 | C | 78.7 | Confident | 79.9 | Confident | 14 Ų | 14 | 37.1 Ų | 37.1 | 10% | 0.095 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -100.4 | -27.6 | -167.3 | -61.1 | 0 | 0 | 0 | 0 | 114 | L266 I267 F277 | L266-C270 WeakPolarHBondContact O-CB 3.34Å; L266-C270 PolarHBondContact O-N 2.97Å; L266-C270 PolarHBondContact O-SG 2.96Å; L266-C270 VanDerWaalsContact O-SG 3.38Å; I267-C270 PolarHBondContact O-N 3.07Å; C270-F277 HydrophobicContact CB-CE2 4.16Å; C270-F277 HydrophobicContact CB-CZ 4.22Å |
| 271 | V | 77.2 | Confident | 78.5 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -101 | -46.2 | -176.5 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | I267 L343 | I267-V271 HydrophobicContact CG2-CB 4.32Å; I267-V271 HydrophobicContact CG2-CG2 4.36Å; I267-V271 WeakPolarHBondContact O-CA 3.23Å; I267-V271 WeakPolarHBondContact O-CB 3.45Å; I267-V271 PolarHBondContact O-N 3.23Å; V271-L343 HydrophobicContact CG2-CD2 3.92Å; V271-L343 HydrophobicContact CG2-CG 4.28Å |
| 272 | E | 77.5 | Confident | 77.2 | Confident | 76 Ų | 76 | 44 Ų | 44 | 36% | 0.355 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -81.7 | -40.7 | -174.9 | -54.9 | -178.1 | 160.3 | 0 | 0 | 111.3 | V217 I267 T268 R274 | V217-E272 HydrophobicContact CG1-CB 3.76Å; V217-E272 HydrophobicContact CG1-CG 4.38Å; V217-E272 WeakPolarHBondContact CG1-OE2 2.88Å; V217-E272 HydrophobicContact CG2-CB 4.17Å; I267-E272 PolarHBondContact O-N 3.5Å; T268-E272 WeakPolarHBondContact O-CB 3.4Å; E272-R274 PolarHBondContact O-N 3.32Å |
| 273 | N | 76.9 | Confident | 76.1 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | trans | -85.1 | 92.5 | 171.2 | -171 | -15 | 0 | 0 | 0 | 112.7 | L225 N226 T268 K275 F276 | L225-N273 HydrophobicContact CD2-CB 3.85Å; N226-N273 PolarHBondContact OD1-ND2 3.36Å; T268-N273 PolarHBondContact O-N 3.36Å; N273-K275 PolarHBondContact O-N 3.15Å; N273-K275 VanDerWaalsContact O-N 3.11Å; N273-K275 PolarHBondContact OD1-N 3.47Å; N273-K275 VanDerWaalsContact OD1-N 3.1Å; N273-F276 HydrophobicContact CB-CB 4.26Å; N273-F276 VanDerWaalsContact O-CB 3.29Å; N273-F276 WeakPolarHBondContact O-CB 3.48Å; N273-F276 PolarHBondContact O-N 3.01Å; N273-F276 VanDerWaalsContact O-N 3.12Å; N273-F276 PolarHBondContact OD1-N 2.88Å | ||
| 274 | R | 69.7 | Low | 75.3 | Confident | 209 Ų | 209 | 50.7 Ų | 50.7 | 79% | 0.789 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28 | -179.5 | -63.1 | 179.6 | -178.2 | 174.7 | 3.3 | 114.4 | E272 | E272-R274 PolarHBondContact O-N 3.32Š|
| 275 | K | 72.1 | Confident | 74.8 | Confident | 96 Ų | 96 | 50.7 Ų | 50.7 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.4 | -176.5 | -66.9 | 174.6 | -176.4 | 161.8 | 0 | 113 | E222 N273 F277 S278 N279 | E222-K275 IonicContact OE1-NZ 2.8Å; E222-K275 IonicContact OE2-NZ 2.79Å; E222-K275 PolarHBondContact OE2-NZ 3.2Å; N273-K275 PolarHBondContact O-N 3.15Å; N273-K275 VanDerWaalsContact O-N 3.11Å; N273-K275 PolarHBondContact OD1-N 3.47Å; N273-K275 VanDerWaalsContact OD1-N 3.1Å; K275-F277 PolarHBondContact O-N 3.34Å; K275-S278 WeakPolarHBondContact CA-OG 3.16Å; K275-S278 PolarHBondContact O-N 3.18Å; K275-S278 PolarHBondContact O-OG 3.46Å; K275-N279 PolarHBondContact O-N 3.09Å; K275-N279 PolarHBondContact O-ND2 3.5Å |
| 276 | F | 74.5 | Confident | 74.4 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -50.2 | -178.3 | -178.3 | -102.3 | 0 | 0 | 0 | 113 | V229 L237 L269 N273 S278 N279 | V229-F276 HydrophobicContact CG1-CD2 3.64Å; V229-F276 HydrophobicContact CG1-CE2 3.48Å; V229-F276 VanDerWaalsContact CG1-CE2 3.48Å; L237-F276 HydrophobicContact CD1-CZ 4.41Å; L237-F276 HydrophobicContact CD2-CE1 4.45Å; L237-F276 HydrophobicContact CD2-CZ 4.09Å; L269-F276 HydrophobicContact CB-CD2 4.23Å; L269-F276 HydrophobicContact CB-CE2 4.06Å; L269-F276 HydrophobicContact CB-CZ 4.32Å; L269-F276 HydrophobicContact CD2-CD2 4.33Å; L269-F276 HydrophobicContact CD2-CE2 3.98Å; L269-F276 HydrophobicContact CG-CE2 4.42Å; L269-F276 WeakPolarHBondContact O-CB 3.34Å; L269-F276 WeakPolarHBondContact O-CG 3.22Å; N273-F276 HydrophobicContact CB-CB 4.26Å; N273-F276 VanDerWaalsContact O-CB 3.29Å; N273-F276 WeakPolarHBondContact O-CB 3.48Å; N273-F276 PolarHBondContact O-N 3.01Å; N273-F276 VanDerWaalsContact O-N 3.12Å; N273-F276 PolarHBondContact OD1-N 2.88Å; F276-S278 PolarHBondContact O-N 3.11Å; F276-N279 PolarHBondContact O-N 3.29Å |
| 277 | F | 71.3 | Confident | 74.2 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -22.7 | -178.4 | -65.4 | -70.8 | 0 | 0 | 0 | 114 | C270 K275 N279 N284 I285 M288 | C270-F277 HydrophobicContact CB-CE2 4.16Å; C270-F277 HydrophobicContact CB-CZ 4.22Å; K275-F277 PolarHBondContact O-N 3.34Å; F277-N279 PolarHBondContact O-N 2.87Å; F277-N284 VanDerWaalsContact CE1-C 3.41Å; F277-I285 HydrophobicContact CD2-CB 3.86Å; F277-I285 HydrophobicContact CD2-CD1 4.23Å; F277-I285 HydrophobicContact CD2-CG1 4.29Å; F277-I285 HydrophobicContact CE2-CB 3.55Å; F277-I285 HydrophobicContact CE2-CD1 3.78Å; F277-I285 HydrophobicContact CE2-CG1 3.61Å; F277-I285 HydrophobicContact CG-CB 4.49Å; F277-I285 VanDerWaalsContact CZ-CA 3.5Å; F277-I285 HydrophobicContact CZ-CB 3.92Å; F277-I285 HydrophobicContact CZ-CG1 4.09Å; F277-M288 HydrophobicContact CE1-CG 3.74Å; F277-M288 HydrophobicContact CZ-CB 4.21Å; F277-M288 HydrophobicContact CZ-CG 3.68Å |
| 278 | S | 67.9 | Low | 74.1 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -26.4 | 174.4 | 52.6 | 0 | 0 | 0 | 0 | 112 | K275 F276 | K275-S278 WeakPolarHBondContact CA-OG 3.16Å; K275-S278 PolarHBondContact O-N 3.18Å; K275-S278 PolarHBondContact O-OG 3.46Å; F276-S278 PolarHBondContact O-N 3.11Å |
| 279 | N | 61.3 | Low | 74 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -88.8 | -10.1 | -175.5 | -65.3 | -16.4 | 0 | 0 | 0 | 113.4 | N226 K275 F276 F277 | N226-N279 PolarHBondContact OD1-ND2 3.42Å; K275-N279 PolarHBondContact O-N 3.09Å; K275-N279 PolarHBondContact O-ND2 3.5Å; F276-N279 PolarHBondContact O-N 3.29Å; F277-N279 PolarHBondContact O-N 2.87Å |
| 280 | F | 64.2 | Low | 74.2 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | trans | -127.8 | 104.9 | -175.1 | -160.6 | -93 | 0 | 0 | 0 | 114.3 | C234 G282 Y283 | C234-F280 HydrophobicContact CB-CD2 3.76Å; C234-F280 HydrophobicContact CB-CE2 3.78Å; F280-G282 PolarHBondContact O-N 3.35Å; F280-G282 VanDerWaalsContact O-N 3.16Å; F280-Y283 AromaticContact CD1-CD2 3.95Å; F280-Y283 HydrophobicContact CD1-CD2 3.95Å; F280-Y283 AromaticContact CE1-CD2 3.63Å; F280-Y283 HydrophobicContact CE1-CD2 3.63Å; F280-Y283 HydrophobicContact CE1-CE2 4.08Å | ||
| 281 | P | 60.2 | Low | 74.6 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 80% | 0.799 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 106.3 | 171.6 | 28.1 | -30.7 | 0 | 0 | 0 | 110.6 | ||
| 282 | G | 63.3 | Low | 75.1 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 58% | 0.577 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.8 | -31.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F280 Q287 | F280-G282 PolarHBondContact O-N 3.35Å; F280-G282 VanDerWaalsContact O-N 3.16Å; G282-Q287 PolarHBondContact O-OE1 2.99Å |
| 283 | Y | 68.2 | Low | 75.6 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | trans | -116.7 | 144.8 | 173.3 | -66.4 | -79.1 | 0 | 0 | 0 | 109.9 | L237 I241 F280 Q287 | L237-Y283 HydrophobicContact CD2-CD2 3.69Å; L237-Y283 HydrophobicContact CD2-CE2 4.13Å; L237-Y283 HydrophobicContact CD2-CG 4.34Å; L237-Y283 HydrophobicContact CG-CD2 4.46Å; L237-Y283 HydrophobicContact CG-CE2 4.47Å; I241-Y283 HydrophobicContact CD1-CD1 3.67Å; I241-Y283 HydrophobicContact CD1-CD2 4.29Å; I241-Y283 HydrophobicContact CD1-CE1 3.32Å; I241-Y283 HydrophobicContact CD1-CE2 4Å; I241-Y283 HydrophobicContact CD1-CG 4.15Å; F280-Y283 AromaticContact CD1-CD2 3.95Å; F280-Y283 HydrophobicContact CD1-CD2 3.95Å; F280-Y283 AromaticContact CE1-CD2 3.63Å; F280-Y283 HydrophobicContact CE1-CD2 3.63Å; F280-Y283 HydrophobicContact CE1-CE2 4.08Å; Y283-Q287 VanDerWaalsContact CD1-OE1 3.26Å | ||
| 284 | N | 76.3 | Confident | 76.2 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | trans | -125.1 | 165 | 170.7 | 67.1 | 16.2 | 0 | 0 | 0 | 109.8 | F277 S286 Q287 M288 | F277-N284 VanDerWaalsContact CE1-C 3.41Å; N284-S286 PolarHBondContact O-N 3.12Å; N284-S286 VanDerWaalsContact O-N 3.15Å; N284-S286 WeakPolarHBondContact OD1-CB 3.45Å; N284-S286 PolarHBondContact OD1-N 2.83Å; N284-Q287 PolarHBondContact O-N 3.08Å; N284-Q287 VanDerWaalsContact OD1-CG 3.31Å; N284-Q287 WeakPolarHBondContact OD1-CG 3.44Å; N284-Q287 PolarHBondContact OD1-N 3.36Å; N284-M288 PolarHBondContact O-N 3.25Å | ||
| 285 | I | 79.2 | Confident | 77.2 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -31.7 | -179.7 | -159.9 | 156.7 | 0 | 0 | 0 | 112.3 | F277 M288 I289 | F277-I285 HydrophobicContact CD2-CB 3.86Å; F277-I285 HydrophobicContact CD2-CD1 4.23Å; F277-I285 HydrophobicContact CD2-CG1 4.29Å; F277-I285 HydrophobicContact CE2-CB 3.55Å; F277-I285 HydrophobicContact CE2-CD1 3.78Å; F277-I285 HydrophobicContact CE2-CG1 3.61Å; F277-I285 HydrophobicContact CG-CB 4.49Å; F277-I285 VanDerWaalsContact CZ-CA 3.5Å; F277-I285 HydrophobicContact CZ-CB 3.92Å; F277-I285 HydrophobicContact CZ-CG1 4.09Å; I285-M288 PolarHBondContact O-N 3.36Å; I285-I289 HydrophobicContact CG1-CD1 4.11Å; I285-I289 WeakPolarHBondContact O-CB 3.41Å; I285-I289 WeakPolarHBondContact O-CD1 3.25Å; I285-I289 WeakPolarHBondContact O-CG1 3.43Å; I285-I289 PolarHBondContact O-N 3.3Å |
| 286 | S | 82.3 | Confident | 78.1 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 177.2 | -51.5 | 0 | 0 | 0 | 0 | 113.2 | N284 N290 | N284-S286 PolarHBondContact O-N 3.12Å; N284-S286 VanDerWaalsContact O-N 3.15Å; N284-S286 WeakPolarHBondContact OD1-CB 3.45Å; N284-S286 PolarHBondContact OD1-N 2.83Å; S286-N290 WeakPolarHBondContact O-CB 3.39Å; S286-N290 PolarHBondContact O-N 2.8Å |
| 287 | Q | 82 | Confident | 78.9 | Confident | 85 Ų | 85 | 47.9 Ų | 47.9 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 174.7 | -74.9 | 174.4 | 3.3 | 0 | 0 | 111.2 | G282 Y283 N284 N290 I291 | G282-Q287 PolarHBondContact O-OE1 2.99Å; Y283-Q287 VanDerWaalsContact CD1-OE1 3.26Å; N284-Q287 PolarHBondContact O-N 3.08Å; N284-Q287 VanDerWaalsContact OD1-CG 3.31Å; N284-Q287 WeakPolarHBondContact OD1-CG 3.44Å; N284-Q287 PolarHBondContact OD1-N 3.36Å; Q287-N290 WeakPolarHBondContact O-CB 3.31Å; Q287-N290 PolarHBondContact O-N 2.9Å; Q287-I291 WeakPolarHBondContact O-CG1 3.41Å; Q287-I291 PolarHBondContact O-N 3.17Å |
| 288 | M | 82.7 | Confident | 79.8 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 175.9 | -66 | -53.9 | -63.1 | 0 | 0 | 111.7 | I241 L266 F277 N284 I285 N290 I291 V292 | I241-M288 HydrophobicContact CD1-SD 3.83Å; I241-M288 HydrophobicContact CG1-SD 4.28Å; L266-M288 HydrophobicContact CD1-CE 3.46Å; L266-M288 VanDerWaalsContact CD1-CE 3.46Å; L266-M288 HydrophobicContact CD2-CE 3.38Å; L266-M288 HydrophobicContact CG-CE 4.02Å; F277-M288 HydrophobicContact CE1-CG 3.74Å; F277-M288 HydrophobicContact CZ-CB 4.21Å; F277-M288 HydrophobicContact CZ-CG 3.68Å; N284-M288 PolarHBondContact O-N 3.25Å; I285-M288 PolarHBondContact O-N 3.36Å; M288-N290 VanDerWaalsContact C-N 3.27Å; M288-N290 PolarHBondContact O-N 3.26Å; M288-I291 WeakPolarHBondContact O-CB 3.3Å; M288-I291 PolarHBondContact O-N 3.06Å; M288-I291 VanDerWaalsContact O-N 3.08Å; M288-I291 HydrophobicContact SD-CD1 3.92Å; M288-V292 WeakPolarHBondContact O-CG2 3.29Å; M288-V292 PolarHBondContact O-N 2.96Å |
| 289 | I | 85.2 | Confident | 80.9 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55 | -45.5 | 172.1 | -72 | 162.6 | 0 | 0 | 0 | 110.2 | I285 I291 V292 L293 L343 M352 Y355 | I285-I289 HydrophobicContact CG1-CD1 4.11Å; I285-I289 WeakPolarHBondContact O-CB 3.41Å; I285-I289 WeakPolarHBondContact O-CD1 3.25Å; I285-I289 WeakPolarHBondContact O-CG1 3.43Å; I285-I289 PolarHBondContact O-N 3.3Å; I289-I291 VanDerWaalsContact C-N 3.34Å; I289-I291 PolarHBondContact O-N 3.16Å; I289-V292 PolarHBondContact O-N 2.8Å; I289-L293 HydrophobicContact CG2-CD1 3.59Å; I289-L293 HydrophobicContact CG2-CG 4.26Å; I289-L293 WeakPolarHBondContact O-CB 3.47Å; I289-L293 WeakPolarHBondContact O-CD1 3.42Å; I289-L293 WeakPolarHBondContact O-CG 3.4Å; I289-L293 PolarHBondContact O-N 3.17Å; I289-L343 HydrophobicContact CG1-CD1 4.38Å; I289-M352 HydrophobicContact CD1-CG 3.65Å; I289-M352 HydrophobicContact CG1-CG 4.04Å; I289-M352 HydrophobicContact CG2-CG 4.03Å; I289-Y355 HydrophobicContact CG2-CD2 3.57Å; I289-Y355 HydrophobicContact CG2-CE2 3.8Å; I289-Y355 HydrophobicContact CG2-CG 4.19Å |
| 290 | N | 87.5 | Confident | 82.3 | Confident | 73 Ų | 73 | 39.5 Ų | 39.5 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 177.3 | -169.9 | 25.5 | 0 | 0 | 0 | 112.6 | S286 Q287 M288 L293 N294 Y355 | S286-N290 WeakPolarHBondContact O-CB 3.39Å; S286-N290 PolarHBondContact O-N 2.8Å; Q287-N290 WeakPolarHBondContact O-CB 3.31Å; Q287-N290 PolarHBondContact O-N 2.9Å; M288-N290 VanDerWaalsContact C-N 3.27Å; M288-N290 PolarHBondContact O-N 3.26Å; N290-L293 PolarHBondContact O-N 3.26Å; N290-N294 PolarHBondContact O-N 3.01Å; N290-N294 PolarHBondContact O-ND2 3.33Å; N290-N294 PolarHBondContact OD1-ND2 2.95Å; N290-Y355 HydrophobicContact CB-CE1 4.48Å |
| 291 | I | 86.2 | Confident | 83.6 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -48.8 | 175.2 | -67.6 | 157.6 | 0 | 0 | 0 | 110.5 | I241 L244 T245 Q287 M288 I289 L293 N294 L295 | I241-I291 HydrophobicContact CB-CD1 4.47Å; I241-I291 HydrophobicContact CD1-CD1 4.29Å; I241-I291 HydrophobicContact CG1-CD1 4.18Å; I241-I291 HydrophobicContact CG2-CD1 3.57Å; I241-I291 HydrophobicContact CG2-CG1 4.49Å; L244-I291 HydrophobicContact CB-CG2 4.35Å; T245-I291 HydrophobicContact CG2-CG1 4.12Å; T245-I291 HydrophobicContact CG2-CG2 3.98Å; Q287-I291 WeakPolarHBondContact O-CG1 3.41Å; Q287-I291 PolarHBondContact O-N 3.17Å; M288-I291 WeakPolarHBondContact O-CB 3.3Å; M288-I291 PolarHBondContact O-N 3.06Å; M288-I291 VanDerWaalsContact O-N 3.08Å; M288-I291 HydrophobicContact SD-CD1 3.92Å; I289-I291 VanDerWaalsContact C-N 3.34Å; I289-I291 PolarHBondContact O-N 3.16Å; I291-L293 VanDerWaalsContact C-N 3.3Å; I291-L293 PolarHBondContact O-N 2.94Å; I291-N294 PolarHBondContact O-N 3.11Å; I291-L295 HydrophobicContact CG2-CD1 4.34Å; I291-L295 PolarHBondContact O-N 3.4Å |
| 292 | V | 87.9 | Confident | 84.9 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -41 | 178.1 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | M288 I289 N294 L295 V296 L340 | M288-V292 WeakPolarHBondContact O-CG2 3.29Å; M288-V292 PolarHBondContact O-N 2.96Å; I289-V292 PolarHBondContact O-N 2.8Å; V292-N294 PolarHBondContact O-N 3.32Å; V292-L295 WeakPolarHBondContact O-CB 3.37Å; V292-L295 PolarHBondContact O-N 3.16Å; V292-V296 HydrophobicContact CG1-CG2 4.48Å; V292-V296 VanDerWaalsContact O-CG2 3.28Å; V292-V296 WeakPolarHBondContact O-CG2 3.46Å; V292-V296 PolarHBondContact O-N 3.21Å; V292-L340 HydrophobicContact CG1-CD2 3.94Å; V292-L340 HydrophobicContact CG1-CG 4.44Å |
| 293 | L | 88.7 | Confident | 86.1 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 177.3 | -70.4 | 162.8 | 0 | 0 | 0 | 113.1 | I289 N290 I291 L295 V296 V297 Y355 L359 | I289-L293 HydrophobicContact CG2-CD1 3.59Å; I289-L293 HydrophobicContact CG2-CG 4.26Å; I289-L293 WeakPolarHBondContact O-CB 3.47Å; I289-L293 WeakPolarHBondContact O-CD1 3.42Å; I289-L293 WeakPolarHBondContact O-CG 3.4Å; I289-L293 PolarHBondContact O-N 3.17Å; N290-L293 PolarHBondContact O-N 3.26Å; I291-L293 VanDerWaalsContact C-N 3.3Å; I291-L293 PolarHBondContact O-N 2.94Å; L293-L295 VanDerWaalsContact C-N 3.26Å; L293-L295 PolarHBondContact O-N 3.22Å; L293-V296 WeakPolarHBondContact O-CB 3.44Å; L293-V296 PolarHBondContact O-N 3.31Å; L293-V297 WeakPolarHBondContact O-CG2 3.45Å; L293-V297 PolarHBondContact O-N 3.05Å; L293-Y355 HydrophobicContact CD1-CD1 3.33Å; L293-Y355 HydrophobicContact CD1-CD2 3.97Å; L293-Y355 HydrophobicContact CD1-CE1 4.1Å; L293-Y355 HydrophobicContact CD1-CG 3.24Å; L293-L359 HydrophobicContact CD2-CB 3.78Å; L293-L359 HydrophobicContact CD2-CD1 3.82Å; L293-L359 HydrophobicContact CD2-CD2 4.46Å; L293-L359 HydrophobicContact CD2-CG 4.22Å |
| 294 | N | 89.5 | Confident | 87.1 | Confident | 94 Ų | 94 | 31 Ų | 31 | 50% | 0.503 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.3 | -35.1 | 174.7 | -72.5 | -58.1 | 0 | 0 | 0 | 111.5 | N290 I291 V292 S298 | N290-N294 PolarHBondContact O-N 3.01Å; N290-N294 PolarHBondContact O-ND2 3.33Å; N290-N294 PolarHBondContact OD1-ND2 2.95Å; I291-N294 PolarHBondContact O-N 3.11Å; V292-N294 PolarHBondContact O-N 3.32Å; N294-S298 WeakPolarHBondContact O-CB 3.25Å; N294-S298 PolarHBondContact O-N 3.17Å |
| 295 | L | 89.8 | Confident | 87.6 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | 172.1 | -74.2 | 169.4 | 0 | 0 | 0 | 112 | L244 I263 I291 V292 L293 S298 C299 | L244-L295 HydrophobicContact CB-CD1 4.3Å; L244-L295 HydrophobicContact CD2-CD1 4.02Å; L244-L295 VanDerWaalsContact O-CD2 3.29Å; L244-L295 WeakPolarHBondContact O-CD2 3.47Å; I263-L295 HydrophobicContact CD1-CD1 4.26Å; I263-L295 HydrophobicContact CG1-CD1 4.42Å; I291-L295 HydrophobicContact CG2-CD1 4.34Å; I291-L295 PolarHBondContact O-N 3.4Å; V292-L295 WeakPolarHBondContact O-CB 3.37Å; V292-L295 PolarHBondContact O-N 3.16Å; L293-L295 VanDerWaalsContact C-N 3.26Å; L293-L295 PolarHBondContact O-N 3.22Å; L295-S298 WeakPolarHBondContact O-CB 3.17Å; L295-S298 PolarHBondContact O-N 3.44Å; L295-C299 WeakPolarHBondContact O-CB 3.18Å; L295-C299 PolarHBondContact O-N 3.22Å |
| 296 | V | 91.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -52.3 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 110 | V292 L293 S298 C299 V300 I336 L340 L359 Q362 | V292-V296 HydrophobicContact CG1-CG2 4.48Å; V292-V296 VanDerWaalsContact O-CG2 3.28Å; V292-V296 WeakPolarHBondContact O-CG2 3.46Å; V292-V296 PolarHBondContact O-N 3.21Å; L293-V296 WeakPolarHBondContact O-CB 3.44Å; L293-V296 PolarHBondContact O-N 3.31Å; V296-S298 VanDerWaalsContact C-N 3.29Å; V296-S298 PolarHBondContact O-N 3.21Å; V296-C299 WeakPolarHBondContact O-CB 3.25Å; V296-C299 PolarHBondContact O-N 3.46Å; V296-V300 HydrophobicContact CG1-CG2 4.15Å; V296-V300 WeakPolarHBondContact O-CG2 3.15Å; V296-V300 PolarHBondContact O-N 3.34Å; V296-I336 HydrophobicContact CG2-CG2 3.46Å; V296-I336 VanDerWaalsContact CG2-CG2 3.46Å; V296-L340 HydrophobicContact CG2-CD1 3.8Å; V296-L340 HydrophobicContact CG2-CD2 4.39Å; V296-L340 HydrophobicContact CG2-CG 4.42Å; V296-L359 HydrophobicContact CG1-CD1 4.46Å; V296-Q362 HydrophobicContact CG1-CB 3.63Å; V296-Q362 HydrophobicContact CG1-CG 4.26Å |
| 297 | V | 91.8 | Very high | 88 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56.6 | -43.9 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | L293 K301 E358 Q362 | L293-V297 WeakPolarHBondContact O-CG2 3.45Å; L293-V297 PolarHBondContact O-N 3.05Å; V297-K301 PolarHBondContact O-N 3.22Å; V297-E358 HydrophobicContact CG2-CG 4.42Å; V297-Q362 HydrophobicContact CG2-CG 3.84Å |
| 298 | S | 89.2 | Confident | 88.3 | Confident | 18 Ų | 18 | 31 Ų | 31 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 174.9 | 168.6 | 0 | 0 | 0 | 0 | 112.3 | Y247 N294 L295 V296 K301 Q302 | Y247-S298 WeakPolarHBondContact CD2-OG 3.29Å; Y247-S298 WeakPolarHBondContact CE2-OG 3.2Å; N294-S298 WeakPolarHBondContact O-CB 3.25Å; N294-S298 PolarHBondContact O-N 3.17Å; L295-S298 WeakPolarHBondContact O-CB 3.17Å; L295-S298 PolarHBondContact O-N 3.44Å; V296-S298 VanDerWaalsContact C-N 3.29Å; V296-S298 PolarHBondContact O-N 3.21Å; S298-K301 PolarHBondContact O-N 3.16Å; S298-Q302 PolarHBondContact O-N 2.75Å |
| 299 | C | 91 | Very high | 88.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -49.5 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | L295 V296 K301 Q302 Y303 F332 I336 | L295-C299 WeakPolarHBondContact O-CB 3.18Å; L295-C299 PolarHBondContact O-N 3.22Å; V296-C299 WeakPolarHBondContact O-CB 3.25Å; V296-C299 PolarHBondContact O-N 3.46Å; C299-K301 VanDerWaalsContact C-N 3.31Å; C299-K301 PolarHBondContact O-N 3.49Å; C299-Q302 PolarHBondContact O-N 3.26Å; C299-Y303 VanDerWaalsContact O-CB 3.24Å; C299-Y303 WeakPolarHBondContact O-CB 3.1Å; C299-Y303 PolarHBondContact O-N 3.3Å; C299-F332 HydrophobicContact CB-CE1 3.97Å; C299-I336 HydrophobicContact CB-CD1 3.63Å |
| 300 | V | 92.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | V296 T304 Q362 Q365 L366 | V296-V300 HydrophobicContact CG1-CG2 4.15Å; V296-V300 WeakPolarHBondContact O-CG2 3.15Å; V296-V300 PolarHBondContact O-N 3.34Å; V300-T304 VanDerWaalsContact O-CB 3.3Å; V300-T304 WeakPolarHBondContact O-CB 3.49Å; V300-T304 PolarHBondContact O-N 3.21Å; V300-T304 PolarHBondContact O-OG1 3.24Å; V300-Q362 HydrophobicContact CG2-CB 3.88Å; V300-Q365 HydrophobicContact CG1-CB 3.71Å; V300-L366 HydrophobicContact CB-CD2 4.37Å; V300-L366 HydrophobicContact CB-CG 4.48Å; V300-L366 HydrophobicContact CG2-CD1 3.88Å; V300-L366 HydrophobicContact CG2-CD2 3.86Å; V300-L366 HydrophobicContact CG2-CG 3.59Å |
| 301 | K | 89.9 | Confident | 86.4 | Confident | 85 Ų | 85 | 36.4 Ų | 36.4 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 176.7 | -178.1 | -175.9 | 167.8 | -161.1 | 0 | 111.6 | Y247 E249 V297 S298 C299 Q305 | Y247-K301 PolarHBondContact OH-NZ 3.42Å; E249-K301 IonicContact OE1-NZ 2.84Å; E249-K301 PolarHBondContact OE1-NZ 3.18Å; V297-K301 PolarHBondContact O-N 3.22Å; S298-K301 PolarHBondContact O-N 3.16Å; C299-K301 VanDerWaalsContact C-N 3.31Å; C299-K301 PolarHBondContact O-N 3.49Å; K301-Q305 WeakPolarHBondContact O-CG 3.36Å; K301-Q305 PolarHBondContact O-N 3.4Å |
| 302 | Q | 87.3 | Confident | 84.8 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -46.5 | 179.7 | -76.5 | 179.8 | -8.3 | 0 | 0 | 112 | D248 S298 C299 T304 Q305 L306 Y329 | D248-Q302 PolarHBondContact O-NE2 2.64Å; S298-Q302 PolarHBondContact O-N 2.75Å; C299-Q302 PolarHBondContact O-N 3.26Å; Q302-T304 VanDerWaalsContact C-N 3.28Å; Q302-T304 PolarHBondContact O-N 3.18Å; Q302-Q305 PolarHBondContact O-N 2.98Å; Q302-Q305 VanDerWaalsContact O-N 3.08Å; Q302-L306 HydrophobicContact CB-CD1 4.39Å; Q302-L306 WeakPolarHBondContact O-CB 3.49Å; Q302-L306 VanDerWaalsContact O-CG 3.23Å; Q302-L306 WeakPolarHBondContact O-CG 3.44Å; Q302-L306 PolarHBondContact O-N 3.35Å; Q302-Y329 HydrophobicContact CB-CE2 4.49Å; Q302-Y329 VanDerWaalsContact CB-OH 3.28Å; Q302-Y329 WeakPolarHBondContact CB-OH 3.48Å; Q302-Y329 PolarHBondContact OE1-OH 2.93Å |
| 303 | Y | 90 | Very high | 82.9 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56 | -44.4 | 177.1 | -168.9 | -98.6 | 0 | 0 | 0 | 111.3 | C299 Q305 L306 Q307 I308 Y329 D330 V333 L366 P370 V396 | C299-Y303 VanDerWaalsContact O-CB 3.24Å; C299-Y303 WeakPolarHBondContact O-CB 3.1Å; C299-Y303 PolarHBondContact O-N 3.3Å; Y303-Q305 VanDerWaalsContact C-N 3.34Å; Y303-Q305 PolarHBondContact O-N 3Å; Y303-L306 PolarHBondContact O-N 3.11Å; Y303-Q307 HydrophobicContact CD2-CB 4.4Å; Y303-Q307 HydrophobicContact CD2-CG 3.93Å; Y303-Q307 HydrophobicContact CE1-CB 4.25Å; Y303-Q307 HydrophobicContact CE2-CB 4.14Å; Y303-Q307 HydrophobicContact CE2-CG 3.7Å; Y303-Q307 WeakPolarHBondContact O-CB 3.15Å; Y303-Q307 PolarHBondContact O-N 3.08Å; Y303-I308 HydrophobicContact CD1-CD1 3.77Å; Y303-I308 HydrophobicContact CD1-CG1 4.2Å; Y303-I308 HydrophobicContact CE1-CD1 4Å; Y303-I308 HydrophobicContact CE1-CG1 4.18Å; Y303-Y329 AromaticContact CD2-CD1 3.8Å; Y303-Y329 HydrophobicContact CD2-CD1 3.8Å; Y303-Y329 AromaticContact CD2-CE1 3.9Å; Y303-Y329 HydrophobicContact CD2-CE1 3.9Å; Y303-D330 WeakPolarHBondContact CE2-OD1 3.44Å; Y303-V333 HydrophobicContact CD2-CG2 3.86Å; Y303-V333 HydrophobicContact CE2-CG2 4.16Å; Y303-L366 HydrophobicContact CD1-CD2 3.96Å; Y303-L366 HydrophobicContact CG-CD2 4.12Å; Y303-P370 WeakPolarHBondContact OH-CG 3.31Å; Y303-V396 HydrophobicContact CE1-CG1 4.42Å; Y303-V396 HydrophobicContact CE2-CG1 4.49Å; Y303-V396 HydrophobicContact CE2-CG2 4.31Å |
| 304 | T | 89.1 | Confident | 80.9 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -61.3 | -41.4 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | V300 Q302 I308 A309 | V300-T304 VanDerWaalsContact O-CB 3.3Å; V300-T304 WeakPolarHBondContact O-CB 3.49Å; V300-T304 PolarHBondContact O-N 3.21Å; V300-T304 PolarHBondContact O-OG1 3.24Å; Q302-T304 VanDerWaalsContact C-N 3.28Å; Q302-T304 PolarHBondContact O-N 3.18Å; T304-I308 HydrophobicContact CG2-CB 4.28Å; T304-I308 HydrophobicContact CG2-CD1 4.42Å; T304-I308 WeakPolarHBondContact O-CB 3.35Å; T304-I308 PolarHBondContact O-N 3.43Å; T304-A309 WeakPolarHBondContact O-CB 3.49Å; T304-A309 PolarHBondContact O-N 3.48Å |
| 305 | Q | 86.1 | Confident | 79.1 | Confident | 119 Ų | 119 | 54.3 Ų | 54.3 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -71.9 | -36.1 | 178.3 | -70.6 | 175.5 | -9.1 | 0 | 0 | 113.1 | K301 Q302 Y303 | K301-Q305 WeakPolarHBondContact O-CG 3.36Å; K301-Q305 PolarHBondContact O-N 3.4Å; Q302-Q305 PolarHBondContact O-N 2.98Å; Q302-Q305 VanDerWaalsContact O-N 3.08Å; Y303-Q305 VanDerWaalsContact C-N 3.34Å; Y303-Q305 PolarHBondContact O-N 3Å |
| 306 | L | 83.6 | Confident | 77.6 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 32% | 0.319 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -87.1 | -41.4 | -171.9 | -68.2 | 172.8 | 0 | 0 | 0 | 113.3 | Q302 Y303 S310 Y329 | Q302-L306 HydrophobicContact CB-CD1 4.39Å; Q302-L306 WeakPolarHBondContact O-CB 3.49Å; Q302-L306 VanDerWaalsContact O-CG 3.23Å; Q302-L306 WeakPolarHBondContact O-CG 3.44Å; Q302-L306 PolarHBondContact O-N 3.35Å; Y303-L306 PolarHBondContact O-N 3.11Å; L306-S310 WeakPolarHBondContact O-CB 3.3Å; L306-S310 PolarHBondContact O-OG 2.96Å; L306-Y329 HydrophobicContact CD1-CD2 4.05Å; L306-Y329 HydrophobicContact CD1-CE2 4.01Å |
| 307 | Q | 86.3 | Confident | 76.2 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 21% | 0.21 | 37% | 0.367 | C | S | . | . | I | π-helix | trans | -112.7 | -28.4 | -169.8 | -60.2 | -67.7 | 9.7 | 0 | 0 | 113.6 | Y303 P370 E371 | Y303-Q307 HydrophobicContact CD2-CB 4.4Å; Y303-Q307 HydrophobicContact CD2-CG 3.93Å; Y303-Q307 HydrophobicContact CE1-CB 4.25Å; Y303-Q307 HydrophobicContact CE2-CB 4.14Å; Y303-Q307 HydrophobicContact CE2-CG 3.7Å; Y303-Q307 WeakPolarHBondContact O-CB 3.15Å; Y303-Q307 PolarHBondContact O-N 3.08Å; Q307-P370 HydrophobicContact CB-CB 4.36Å; Q307-P370 WeakPolarHBondContact O-CA 3.4Å; Q307-E371 PolarHBondContact O-N 3.25Å |
| 308 | I | 87.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | I | π-helix | trans | -99 | -46.8 | -172.4 | -59.5 | 170.5 | 0 | 0 | 0 | 112.1 | Y303 T304 Q368 K442 | Y303-I308 HydrophobicContact CD1-CD1 3.77Å; Y303-I308 HydrophobicContact CD1-CG1 4.2Å; Y303-I308 HydrophobicContact CE1-CD1 4Å; Y303-I308 HydrophobicContact CE1-CG1 4.18Å; T304-I308 HydrophobicContact CG2-CB 4.28Å; T304-I308 HydrophobicContact CG2-CD1 4.42Å; T304-I308 WeakPolarHBondContact O-CB 3.35Å; T304-I308 PolarHBondContact O-N 3.43Å; I308-Q368 HydrophobicContact CD1-CB 3.6Å; I308-Q368 HydrophobicContact CD1-CG 4.43Å; I308-Q368 HydrophobicContact CG1-CB 4.3Å; I308-Q368 HydrophobicContact CG2-CB 4.29Å; I308-K442 HydrophobicContact CG2-CD 3.53Å; I308-K442 PolarHBondContact O-NZ 3.4Å |
| 309 | A | 84.4 | Confident | 74.6 | Confident | 31 Ų | 31 | 74 Ų | 74 | 26% | 0.256 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -94.8 | -5.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T304 N311 Y439 | T304-A309 WeakPolarHBondContact O-CB 3.49Å; T304-A309 PolarHBondContact O-N 3.48Å; A309-N311 PolarHBondContact O-N 3.33Å; A309-Y439 HydrophobicContact CB-CD1 3.8Å; A309-Y439 HydrophobicContact CB-CE1 3.67Å; A309-Y439 HydrophobicContact CB-CE2 4.47Å; A309-Y439 HydrophobicContact CB-CG 4.28Å |
| 310 | S | 71 | Confident | 73.9 | Confident | 40 Ų | 40 | 80 Ų | 80 | 28% | 0.28 | 41% | 0.407 | S | S | . | . | trans | -78.2 | 115.3 | -174 | 40.2 | 0 | 0 | 0 | 0 | 111.7 | L306 S312 E371 | L306-S310 WeakPolarHBondContact O-CB 3.3Å; L306-S310 PolarHBondContact O-OG 2.96Å; S310-S312 PolarHBondContact O-N 3.08Å; S310-E371 WeakPolarHBondContact O-CG 3.44Å | ||
| 311 | N | 61.1 | Low | 73.1 | Confident | 126 Ų | 126 | 80.9 Ų | 80.9 | 67% | 0.674 | 41% | 0.412 | S | S | * | . | trans | -62.2 | 128.8 | 167.1 | -69.7 | -15 | 0 | 0 | 0 | 108.7 | A309 S313 | A309-N311 PolarHBondContact O-N 3.33Å; N311-S313 PolarHBondContact O-N 3.44Å | ||
| 312 | S | 52.9 | Low | 72.2 | Confident | 81 Ų | 81 | 77.1 Ų | 77.1 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 20.2 | -164.5 | 53.1 | 0 | 0 | 0 | 0 | 118.3 | S310 E375 | S310-S312 PolarHBondContact O-N 3.08Å; S312-E375 WeakPolarHBondContact CB-OE1 3.44Å; S312-E375 PolarHBondContact OG-OE1 2.94Å |
| 313 | S | 47.2 | Very low | 71.3 | Confident | 98 Ų | 98 | 79.2 Ų | 79.2 | 69% | 0.685 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 7.8 | -173.7 | 65.1 | 0 | 0 | 0 | 0 | 115.8 | N311 | N311-S313 PolarHBondContact O-N 3.44Š|
| 314 | N | 47.1 | Very low | 70.4 | Confident | 133 Ų | 133 | 81.3 Ų | 81.3 | 71% | 0.711 | 43% | 0.431 | S | S | * | . | trans | -105.7 | 87.2 | 171.2 | -74.2 | -16.3 | 0 | 0 | 0 | 108.6 | K316 | N314-K316 PolarHBondContact O-N 2.92Š| ||
| 315 | E | 51.6 | Low | 69.7 | Low | 196 Ų | 196 | 86.4 Ų | 86.4 | 92% | 0.916 | 45% | 0.453 | S | S | * | . | trans | -54.6 | 87 | 157.5 | -71.3 | 177.1 | 174.8 | 0 | 0 | 107.1 | E317 | E315-E317 PolarHBondContact O-N 2.86Š| ||
| 316 | K | 58.8 | Low | 69.2 | Low | 139 Ų | 139 | 85.2 Ų | 85.2 | 60% | 0.604 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 127.2 | 167.6 | -71.9 | -176.6 | 179.6 | 178.1 | 0 | 105.6 | N314 E318 | N314-K316 PolarHBondContact O-N 2.92Å; K316-E318 PolarHBondContact O-N 3.01Å; K316-E318 VanDerWaalsContact O-N 3.16Å |
| 317 | E | 61.8 | Low | 69 | Low | 187 Ų | 187 | 83.3 Ų | 83.3 | 87% | 0.874 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 123.9 | 171.4 | -67.5 | -179.6 | 168.3 | 0 | 0 | 108 | E315 E319 | E315-E317 PolarHBondContact O-N 2.86Å; E317-E319 PolarHBondContact O-N 3.14Å |
| 318 | E | 73.4 | Confident | 68.7 | Low | 106 Ų | 106 | 84.3 Ų | 84.3 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -56 | 124.2 | 176.4 | -68.7 | 175.6 | 175.9 | 0 | 0 | 108.3 | K316 Y320 I326 | K316-E318 PolarHBondContact O-N 3.01Å; K316-E318 VanDerWaalsContact O-N 3.16Å; E318-Y320 HydrophobicContact CB-CE1 4.4Å; E318-Y320 HydrophobicContact CB-CE2 3.91Å; E318-Y320 WeakPolarHBondContact O-CD2 3.34Å; E318-Y320 WeakPolarHBondContact O-CE2 3.47Å; E318-Y320 PolarHBondContact OE2-OH 3.02Å; E318-I326 HydrophobicContact CB-CG2 4.36Å; E318-I326 HydrophobicContact CG-CG2 4.46Å; E318-I326 VanDerWaalsContact OE2-CD1 3.25Å; E318-I326 WeakPolarHBondContact OE2-CD1 3.45Å |
| 319 | E | 74.1 | Confident | 68.7 | Low | 62 Ų | 62 | 84.7 Ų | 84.7 | 29% | 0.29 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 123.9 | 171 | -74.1 | -173.1 | -152.1 | 0 | 0 | 107.5 | I253 S254 E317 L327 | I253-E319 HydrophobicContact CB-CB 4.39Å; I253-E319 HydrophobicContact CB-CG 4.47Å; I253-E319 WeakPolarHBondContact CB-OE2 3.39Å; I253-E319 HydrophobicContact CD1-CB 4.39Å; I253-E319 HydrophobicContact CD1-CG 4.35Å; I253-E319 PolarHBondContact N-OE1 3.38Å; I253-E319 PolarHBondContact N-OE2 3.31Å; S254-E319 PolarHBondContact N-OE2 3.43Å; E317-E319 PolarHBondContact O-N 3.14Å; E319-L327 HydrophobicContact CB-CB 4.49Å; E319-L327 WeakPolarHBondContact O-CB 3.3Å; E319-L327 PolarHBondContact O-N 3.19Å |
| 320 | Y | 75.9 | Confident | 68.9 | Low | 127 Ų | 127 | 84.6 Ų | 84.6 | 50% | 0.498 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -100.7 | 147.4 | 174.3 | -58.1 | -86.4 | 0 | 0 | 0 | 110.3 | E318 G324 E325 I326 | E318-Y320 HydrophobicContact CB-CE1 4.4Å; E318-Y320 HydrophobicContact CB-CE2 3.91Å; E318-Y320 WeakPolarHBondContact O-CD2 3.34Å; E318-Y320 WeakPolarHBondContact O-CE2 3.47Å; E318-Y320 PolarHBondContact OE2-OH 3.02Å; Y320-G324 VanDerWaalsContact CD1-O 3.25Å; Y320-G324 WeakPolarHBondContact CD1-O 3.14Å; Y320-E325 CarbonylContact C-O 3.58Å; Y320-E325 VanDerWaalsContact CA-O 3.24Å; Y320-E325 WeakPolarHBondContact CA-O 3.29Å; Y320-I326 HydrophobicContact CD1-CG1 3.88Å; Y320-I326 HydrophobicContact CE1-CD1 4.34Å; Y320-I326 HydrophobicContact CE1-CG1 3.43Å; Y320-I326 VanDerWaalsContact CE1-CG1 3.43Å |
| 321 | D | 75 | Confident | 69.8 | Low | 22 Ų | 22 | 86.3 Ų | 86.3 | 12% | 0.118 | 45% | 0.451 | C | S | . | . | trans | -74.8 | -170.6 | 170.5 | 88 | -27 | 0 | 0 | 0 | 111.2 | D323 G324 E325 L327 | D321-D323 PolarHBondContact O-N 3.29Å; D321-D323 VanDerWaalsContact O-N 3.12Å; D321-D323 VanDerWaalsContact OD1-CA 3.28Å; D321-D323 WeakPolarHBondContact OD1-CA 3.39Å; D321-D323 VanDerWaalsContact OD1-CB 3.3Å; D321-D323 WeakPolarHBondContact OD1-CB 3.5Å; D321-D323 PolarHBondContact OD1-N 3.37Å; D321-G324 PolarHBondContact O-N 3.29Å; D321-G324 PolarHBondContact OD1-N 2.95Å; D321-E325 PolarHBondContact N-O 2.92Å; D321-E325 PolarHBondContact OD1-N 2.67Å; D321-L327 HydrophobicContact CB-CD1 4.23Å; D321-L327 HydrophobicContact CB-CD2 3.69Å; D321-L327 HydrophobicContact CB-CG 3.89Å | ||
| 322 | S | 71 | Confident | 71.1 | Confident | 6 Ų | 6 | 80.7 Ų | 80.7 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -7.6 | 178.1 | 59 | 0 | 0 | 0 | 0 | 114.1 | Q106 H158 R204 | Q106-S322 VanDerWaalsContact NE2-C 3.32Å; Q106-S322 PolarHBondContact NE2-O 3.31Å; H158-S322 VanDerWaalsContact NE2-CB 3.33Å; H158-S322 WeakPolarHBondContact NE2-CB 3.42Å; R204-S322 PolarHBondContact NE-OG 2.97Å; R204-S322 VanDerWaalsContact NE-OG 3.13Å; R204-S322 PolarHBondContact NH2-OG 3.28Å |
| 323 | D | 68.8 | Low | 73 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 31% | 0.305 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -11.9 | -168.7 | -59.1 | 5.6 | 0 | 0 | 0 | 110.1 | R162 R204 D321 E325 | R162-D323 VanDerWaalsContact CZ-CG 3.49Å; R162-D323 IonicContact CZ-OD1 3.36Å; R162-D323 IonicContact CZ-OD2 2.71Å; R162-D323 VanDerWaalsContact NH1-CG 3.3Å; R162-D323 IonicContact NH1-OD1 3.61Å; R162-D323 PolarHBondContact NH1-OD1 2.95Å; R162-D323 IonicContact NH1-OD2 3.56Å; R162-D323 IonicContact NH2-OD1 3.36Å; R162-D323 PolarHBondContact NH2-OD1 3.37Å; R162-D323 IonicContact NH2-OD2 3.53Å; R162-D323 PolarHBondContact NH2-OD2 3.48Å; R204-D323 IonicContact CZ-OD1 2.95Å; R204-D323 IonicContact NH2-OD1 2.6Å; R204-D323 PolarHBondContact NH2-OD1 3.46Å; R204-D323 IonicContact NH2-OD2 2.71Å; R204-D323 PolarHBondContact NH2-OD2 2.87Å; D321-D323 PolarHBondContact O-N 3.29Å; D321-D323 VanDerWaalsContact O-N 3.12Å; D321-D323 VanDerWaalsContact OD1-CA 3.28Å; D321-D323 WeakPolarHBondContact OD1-CA 3.39Å; D321-D323 VanDerWaalsContact OD1-CB 3.3Å; D321-D323 WeakPolarHBondContact OD1-CB 3.5Å; D321-D323 PolarHBondContact OD1-N 3.37Å; D323-E325 HydrophobicContact CB-CG 4.33Å |
| 324 | G | 70.7 | Confident | 75.2 | Confident | 48 Ų | 48 | 74 Ų | 74 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 88.6 | 13.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y320 D321 | Y320-G324 VanDerWaalsContact CD1-O 3.25Å; Y320-G324 WeakPolarHBondContact CD1-O 3.14Å; D321-G324 PolarHBondContact O-N 3.29Å; D321-G324 PolarHBondContact OD1-N 2.95Å |
| 325 | E | 74.8 | Confident | 77.4 | Confident | 131 Ų | 131 | 68 Ų | 68 | 61% | 0.612 | 34% | 0.337 | S | S | * | . | trans | -83.7 | 137.8 | 173.8 | -61.7 | -172.5 | 170.4 | 0 | 0 | 109.7 | Y320 D321 D323 L327 | Y320-E325 CarbonylContact C-O 3.58Å; Y320-E325 VanDerWaalsContact CA-O 3.24Å; Y320-E325 WeakPolarHBondContact CA-O 3.29Å; D321-E325 PolarHBondContact N-O 2.92Å; D321-E325 PolarHBondContact OD1-N 2.67Å; D323-E325 HydrophobicContact CB-CG 4.33Å; E325-L327 PolarHBondContact O-N 2.92Å | ||
| 326 | I | 76.8 | Confident | 79.3 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -67.9 | 121.3 | 178.9 | -60.8 | 166 | 0 | 0 | 0 | 107.8 | E318 Y320 D328 | E318-I326 HydrophobicContact CB-CG2 4.36Å; E318-I326 HydrophobicContact CG-CG2 4.46Å; E318-I326 VanDerWaalsContact OE2-CD1 3.25Å; E318-I326 WeakPolarHBondContact OE2-CD1 3.45Å; Y320-I326 HydrophobicContact CD1-CG1 3.88Å; Y320-I326 HydrophobicContact CE1-CD1 4.34Å; Y320-I326 HydrophobicContact CE1-CG1 3.43Å; Y320-I326 VanDerWaalsContact CE1-CG1 3.43Å; I326-D328 PolarHBondContact O-N 3.15Å |
| 327 | L | 77.7 | Confident | 81 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | trans | -75.5 | 110.6 | 170.2 | -67 | 173.4 | 0 | 0 | 0 | 108.2 | I253 E319 D321 E325 | I253-L327 HydrophobicContact CG2-CB 3.73Å; I253-L327 WeakPolarHBondContact CG2-O 3.41Å; E319-L327 HydrophobicContact CB-CB 4.49Å; E319-L327 WeakPolarHBondContact O-CB 3.3Å; E319-L327 PolarHBondContact O-N 3.19Å; D321-L327 HydrophobicContact CB-CD1 4.23Å; D321-L327 HydrophobicContact CB-CD2 3.69Å; D321-L327 HydrophobicContact CB-CG 3.89Å; E325-L327 PolarHBondContact O-N 2.92Å | ||
| 328 | D | 81.5 | Confident | 82.5 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | trans | -92.6 | 139.7 | 172.2 | -156.8 | -19.5 | 0 | 0 | 0 | 110.7 | I326 D330 T331 | I326-D328 PolarHBondContact O-N 3.15Å; D328-D330 PolarHBondContact O-N 2.97Å; D328-D330 PolarHBondContact OD1-N 3.38Å; D328-D330 VanDerWaalsContact OD1-N 3.17Å; D328-T331 PolarHBondContact O-N 3.13Å | ||
| 329 | Y | 87 | Confident | 83.4 | Confident | 8 Ų | 8 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -30.8 | 171.6 | -169.5 | -85.2 | 0 | 0 | 0 | 110.7 | V256 Q302 Y303 L306 T331 F332 V333 | V256-Y329 HydrophobicContact CB-CE2 4.39Å; V256-Y329 HydrophobicContact CG1-CD2 4.04Å; V256-Y329 HydrophobicContact CG1-CE2 3.78Å; V256-Y329 HydrophobicContact CG2-CE2 4.05Å; Q302-Y329 HydrophobicContact CB-CE2 4.49Å; Q302-Y329 VanDerWaalsContact CB-OH 3.28Å; Q302-Y329 WeakPolarHBondContact CB-OH 3.48Å; Q302-Y329 PolarHBondContact OE1-OH 2.93Å; Y303-Y329 AromaticContact CD2-CD1 3.8Å; Y303-Y329 HydrophobicContact CD2-CD1 3.8Å; Y303-Y329 AromaticContact CD2-CE1 3.9Å; Y303-Y329 HydrophobicContact CD2-CE1 3.9Å; L306-Y329 HydrophobicContact CD1-CD2 4.05Å; L306-Y329 HydrophobicContact CD1-CE2 4.01Å; Y329-T331 PolarHBondContact O-N 3.43Å; Y329-F332 HydrophobicContact CE1-CD1 4.36Å; Y329-F332 WeakPolarHBondContact O-CB 3.45Å; Y329-F332 PolarHBondContact O-N 2.71Å; Y329-F332 VanDerWaalsContact O-N 3.08Å; Y329-V333 HydrophobicContact CD1-CG2 3.81Å; Y329-V333 HydrophobicContact CE1-CG2 3.77Å; Y329-V333 PolarHBondContact O-N 2.99Å |
| 330 | D | 89.5 | Confident | 84.3 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -36 | 178.6 | -73.1 | 8.5 | 0 | 0 | 0 | 111.8 | Y303 D328 F332 V333 Y334 V396 | Y303-D330 WeakPolarHBondContact CE2-OD1 3.44Å; D328-D330 PolarHBondContact O-N 2.97Å; D328-D330 PolarHBondContact OD1-N 3.38Å; D328-D330 VanDerWaalsContact OD1-N 3.17Å; D330-F332 VanDerWaalsContact C-N 3.27Å; D330-F332 PolarHBondContact O-N 3.24Å; D330-V333 WeakPolarHBondContact O-CA 2.98Å; D330-V333 WeakPolarHBondContact O-CB 3.47Å; D330-V333 PolarHBondContact O-N 2.78Å; D330-Y334 HydrophobicContact CB-CE2 3.88Å; D330-Y334 WeakPolarHBondContact O-CD2 3.33Å; D330-Y334 PolarHBondContact O-N 2.75Å; D330-V396 HydrophobicContact CB-CG2 3.99Å |
| 331 | T | 88.3 | Confident | 85 | Confident | 75 Ų | 75 | 35.9 Ų | 35.9 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.2 | -39.6 | 176.1 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | D328 Y329 Y334 S335 | D328-T331 PolarHBondContact O-N 3.13Å; Y329-T331 PolarHBondContact O-N 3.43Å; T331-Y334 PolarHBondContact O-N 3.11Å; T331-S335 PolarHBondContact O-N 3.42Å; T331-S335 VanDerWaalsContact O-N 3.09Å; T331-S335 PolarHBondContact O-OG 2.9Å |
| 332 | F | 89.7 | Confident | 85.7 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.6 | -37.3 | 175.6 | 168.1 | -110.2 | 0 | 0 | 0 | 112.7 | V256 K259 I263 C299 Y329 D330 Y334 S335 I336 | V256-F332 HydrophobicContact CB-CG 4.48Å; V256-F332 HydrophobicContact CG1-CB 3.35Å; V256-F332 HydrophobicContact CG1-CD1 3.12Å; V256-F332 HydrophobicContact CG1-CD2 3.7Å; V256-F332 HydrophobicContact CG1-CE1 3.68Å; V256-F332 HydrophobicContact CG1-CE2 4.21Å; V256-F332 HydrophobicContact CG1-CG 3.09Å; V256-F332 HydrophobicContact CG1-CZ 4.18Å; V256-F332 VanDerWaalsContact O-CD2 3.3Å; V256-F332 WeakPolarHBondContact O-CD2 3.27Å; K259-F332 HydrophobicContact CB-CD2 4.32Å; K259-F332 HydrophobicContact CB-CE2 3.71Å; I263-F332 HydrophobicContact CD1-CD2 4.4Å; I263-F332 HydrophobicContact CD1-CE2 3.75Å; C299-F332 HydrophobicContact CB-CE1 3.97Å; Y329-F332 HydrophobicContact CE1-CD1 4.36Å; Y329-F332 WeakPolarHBondContact O-CB 3.45Å; Y329-F332 PolarHBondContact O-N 2.71Å; Y329-F332 VanDerWaalsContact O-N 3.08Å; D330-F332 VanDerWaalsContact C-N 3.27Å; D330-F332 PolarHBondContact O-N 3.24Å; F332-Y334 VanDerWaalsContact C-N 3.29Å; F332-Y334 PolarHBondContact O-N 3.1Å; F332-S335 PolarHBondContact O-N 3.35Å; F332-I336 HydrophobicContact CD1-CD1 4.06Å; F332-I336 HydrophobicContact CD2-CD1 4.48Å; F332-I336 HydrophobicContact CE1-CD1 3.46Å; F332-I336 VanDerWaalsContact CE1-CD1 3.46Å; F332-I336 HydrophobicContact CE2-CD1 3.92Å; F332-I336 HydrophobicContact CE2-CG1 4.27Å; F332-I336 HydrophobicContact CZ-CD1 3.39Å; F332-I336 HydrophobicContact CZ-CG1 4.22Å; F332-I336 PolarHBondContact O-N 3.23Å; F332-I336 VanDerWaalsContact O-N 3.11Å |
| 333 | V | 92.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 174.6 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | Y303 Y329 D330 S335 I336 L337 L366 V396 | Y303-V333 HydrophobicContact CD2-CG2 3.86Å; Y303-V333 HydrophobicContact CE2-CG2 4.16Å; Y329-V333 HydrophobicContact CD1-CG2 3.81Å; Y329-V333 HydrophobicContact CE1-CG2 3.77Å; Y329-V333 PolarHBondContact O-N 2.99Å; D330-V333 WeakPolarHBondContact O-CA 2.98Å; D330-V333 WeakPolarHBondContact O-CB 3.47Å; D330-V333 PolarHBondContact O-N 2.78Å; V333-S335 PolarHBondContact O-N 3.45Å; V333-I336 PolarHBondContact O-N 3.12Å; V333-L337 HydrophobicContact CG1-CD1 3.98Å; V333-L337 HydrophobicContact CG1-CG 4.24Å; V333-L337 WeakPolarHBondContact O-CG 3.5Å; V333-L337 PolarHBondContact O-N 2.91Å; V333-L366 HydrophobicContact CG1-CD1 4.36Å; V333-L366 HydrophobicContact CG1-CD2 4.4Å; V333-V396 HydrophobicContact CB-CG1 4.45Å; V333-V396 HydrophobicContact CB-CG2 4.06Å; V333-V396 HydrophobicContact CG1-CG1 3.63Å; V333-V396 HydrophobicContact CG1-CG2 4.12Å; V333-V396 HydrophobicContact CG2-CG2 4.5Å |
| 334 | Y | 93.5 | Very high | 87.5 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 15% | 0.153 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 174.8 | -61.7 | -46.3 | 0 | 0 | 0 | 112.3 | D330 T331 F332 I336 L337 Q338 Y394 S395 V396 V399 | D330-Y334 HydrophobicContact CB-CE2 3.88Å; D330-Y334 WeakPolarHBondContact O-CD2 3.33Å; D330-Y334 PolarHBondContact O-N 2.75Å; T331-Y334 PolarHBondContact O-N 3.11Å; F332-Y334 VanDerWaalsContact C-N 3.29Å; F332-Y334 PolarHBondContact O-N 3.1Å; Y334-I336 VanDerWaalsContact C-N 3.3Å; Y334-I336 PolarHBondContact O-N 3.32Å; Y334-L337 PolarHBondContact O-N 2.87Å; Y334-Q338 VanDerWaalsContact O-CB 3.29Å; Y334-Q338 WeakPolarHBondContact O-CB 3.34Å; Y334-Q338 PolarHBondContact O-N 3.42Å; Y334-Y394 HydrophobicContact CD1-CE1 4.19Å; Y334-Y394 HydrophobicContact CD2-CE1 4.13Å; Y334-Y394 HydrophobicContact CE1-CD1 4.49Å; Y334-Y394 AromaticContact CE1-CE1 3.82Å; Y334-Y394 HydrophobicContact CE1-CE1 3.82Å; Y334-Y394 AromaticContact CE2-CE1 3.79Å; Y334-Y394 HydrophobicContact CE2-CE1 3.79Å; Y334-Y394 HydrophobicContact CG-CE1 4.37Å; Y334-Y394 AromaticContact CZ-CE1 3.64Å; Y334-S395 WeakPolarHBondContact OH-CA 3.3Å; Y334-V396 HydrophobicContact CE1-CB 4.46Å; Y334-V396 HydrophobicContact CE1-CG2 3.84Å; Y334-V396 PolarHBondContact OH-N 3Å; Y334-V396 VanDerWaalsContact OH-N 3.16Å; Y334-V399 HydrophobicContact CD1-CG2 4.24Å; Y334-V399 HydrophobicContact CE1-CB 4.46Å; Y334-V399 HydrophobicContact CE1-CG2 4Å |
| 335 | S | 91.9 | Very high | 88.3 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 6% | 0.056 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 175.1 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | I263 T331 F332 V333 C339 | I263-S335 WeakPolarHBondContact CG2-O 3.45Å; T331-S335 PolarHBondContact O-N 3.42Å; T331-S335 VanDerWaalsContact O-N 3.09Å; T331-S335 PolarHBondContact O-OG 2.9Å; F332-S335 PolarHBondContact O-N 3.35Å; V333-S335 PolarHBondContact O-N 3.45Å; S335-C339 WeakPolarHBondContact O-CB 3.33Å; S335-C339 PolarHBondContact O-N 3.27Å; S335-C339 VanDerWaalsContact O-N 3.08Å |
| 336 | I | 93.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.8 | -48.9 | 175.2 | -72 | 170.7 | 0 | 0 | 0 | 111 | I263 V296 C299 F332 V333 Y334 Q338 C339 L340 | I263-I336 HydrophobicContact CD1-CD1 4.35Å; I263-I336 HydrophobicContact CD1-CG1 3.5Å; I263-I336 VanDerWaalsContact CD1-CG1 3.5Å; V296-I336 HydrophobicContact CG2-CG2 3.46Å; V296-I336 VanDerWaalsContact CG2-CG2 3.46Å; C299-I336 HydrophobicContact CB-CD1 3.63Å; F332-I336 HydrophobicContact CD1-CD1 4.06Å; F332-I336 HydrophobicContact CD2-CD1 4.48Å; F332-I336 HydrophobicContact CE1-CD1 3.46Å; F332-I336 VanDerWaalsContact CE1-CD1 3.46Å; F332-I336 HydrophobicContact CE2-CD1 3.92Å; F332-I336 HydrophobicContact CE2-CG1 4.27Å; F332-I336 HydrophobicContact CZ-CD1 3.39Å; F332-I336 HydrophobicContact CZ-CG1 4.22Å; F332-I336 PolarHBondContact O-N 3.23Å; F332-I336 VanDerWaalsContact O-N 3.11Å; V333-I336 PolarHBondContact O-N 3.12Å; Y334-I336 VanDerWaalsContact C-N 3.3Å; Y334-I336 PolarHBondContact O-N 3.32Å; I336-Q338 PolarHBondContact O-N 3.04Å; I336-C339 WeakPolarHBondContact O-CB 3.25Å; I336-C339 PolarHBondContact O-N 3.33Å; I336-L340 HydrophobicContact CG2-CD1 4.04Å; I336-L340 HydrophobicContact CG2-CG 4.48Å; I336-L340 WeakPolarHBondContact O-CG 3.3Å; I336-L340 PolarHBondContact O-N 3.33Å |
| 337 | L | 94.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -42 | -178.5 | -68.6 | 174.1 | 0 | 0 | 0 | 111.2 | V333 Y334 C339 L340 T341 L363 L366 V399 T400 L403 | V333-L337 HydrophobicContact CG1-CD1 3.98Å; V333-L337 HydrophobicContact CG1-CG 4.24Å; V333-L337 WeakPolarHBondContact O-CG 3.5Å; V333-L337 PolarHBondContact O-N 2.91Å; Y334-L337 PolarHBondContact O-N 2.87Å; L337-C339 VanDerWaalsContact C-N 3.33Å; L337-C339 PolarHBondContact O-N 3.04Å; L337-L340 PolarHBondContact O-N 2.84Å; L337-T341 WeakPolarHBondContact O-CB 3.44Å; L337-T341 PolarHBondContact O-N 3.31Å; L337-T341 PolarHBondContact O-OG1 2.77Å; L337-L363 HydrophobicContact CD2-CD2 3.69Å; L337-L366 HydrophobicContact CD2-CD1 4.34Å; L337-V399 HydrophobicContact CB-CG1 4.08Å; L337-V399 HydrophobicContact CD1-CB 4.16Å; L337-V399 HydrophobicContact CD1-CG1 3.88Å; L337-T400 WeakPolarHBondContact CD1-OG1 3.33Å; L337-L403 HydrophobicContact CD2-CD2 4.02Å |
| 338 | Q | 92.5 | Very high | 88.9 | Confident | 95 Ų | 95 | 33.3 Ų | 33.3 | 44% | 0.444 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 174.4 | -172.6 | 178.8 | -1.9 | 0 | 0 | 111.5 | I267 Y334 I336 T341 S342 | I267-Q338 HydrophobicContact CD1-CB 4.34Å; I267-Q338 HydrophobicContact CD1-CG 4.09Å; Y334-Q338 VanDerWaalsContact O-CB 3.29Å; Y334-Q338 WeakPolarHBondContact O-CB 3.34Å; Y334-Q338 PolarHBondContact O-N 3.42Å; I336-Q338 PolarHBondContact O-N 3.04Å; Q338-T341 PolarHBondContact O-N 3.08Å; Q338-S342 VanDerWaalsContact O-CB 3.3Å; Q338-S342 WeakPolarHBondContact O-CB 3.34Å; Q338-S342 PolarHBondContact O-N 3.38Å; Q338-S342 PolarHBondContact O-OG 3.4Å |
| 339 | C | 91.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 174.9 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | I263 I267 S335 I336 L337 S342 L343 | I263-C339 HydrophobicContact CG2-CB 3.57Å; I267-C339 HydrophobicContact CD1-CB 3.69Å; I267-C339 HydrophobicContact CG1-CB 3.74Å; S335-C339 WeakPolarHBondContact O-CB 3.33Å; S335-C339 PolarHBondContact O-N 3.27Å; S335-C339 VanDerWaalsContact O-N 3.08Å; I336-C339 WeakPolarHBondContact O-CB 3.25Å; I336-C339 PolarHBondContact O-N 3.33Å; L337-C339 VanDerWaalsContact C-N 3.33Å; L337-C339 PolarHBondContact O-N 3.04Å; C339-S342 PolarHBondContact O-N 2.85Å; C339-L343 VanDerWaalsContact O-CG 3.3Å; C339-L343 WeakPolarHBondContact O-CG 3.38Å; C339-L343 PolarHBondContact O-N 3.12Å |
| 340 | L | 92.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 177.9 | -67.4 | 171.1 | 0 | 0 | 0 | 112.1 | V292 V296 I336 L337 S342 L343 I344 L359 L363 L403 | V292-L340 HydrophobicContact CG1-CD2 3.94Å; V292-L340 HydrophobicContact CG1-CG 4.44Å; V296-L340 HydrophobicContact CG2-CD1 3.8Å; V296-L340 HydrophobicContact CG2-CD2 4.39Å; V296-L340 HydrophobicContact CG2-CG 4.42Å; I336-L340 HydrophobicContact CG2-CD1 4.04Å; I336-L340 HydrophobicContact CG2-CG 4.48Å; I336-L340 WeakPolarHBondContact O-CG 3.3Å; I336-L340 PolarHBondContact O-N 3.33Å; L337-L340 PolarHBondContact O-N 2.84Å; L340-S342 VanDerWaalsContact C-N 3.3Å; L340-S342 PolarHBondContact O-N 2.99Å; L340-L343 PolarHBondContact O-N 3.31Å; L340-I344 WeakPolarHBondContact O-CB 3.45Å; L340-I344 VanDerWaalsContact O-CG1 3.27Å; L340-I344 WeakPolarHBondContact O-CG1 3.16Å; L340-I344 PolarHBondContact O-N 3.37Å; L340-L359 HydrophobicContact CD1-CD1 3.74Å; L340-L359 HydrophobicContact CD2-CD1 3.81Å; L340-L359 HydrophobicContact CD2-CD2 4.22Å; L340-L359 HydrophobicContact CG-CD1 4.41Å; L340-L363 HydrophobicContact CD1-CD2 3.92Å; L340-L403 HydrophobicContact CB-CD2 3.65Å; L340-L403 HydrophobicContact CD1-CD2 4.09Å |
| 341 | T | 92.1 | Very high | 88.5 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 174.9 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | L337 Q338 I344 S345 L403 K406 | L337-T341 WeakPolarHBondContact O-CB 3.44Å; L337-T341 PolarHBondContact O-N 3.31Å; L337-T341 PolarHBondContact O-OG1 2.77Å; Q338-T341 PolarHBondContact O-N 3.08Å; T341-I344 PolarHBondContact O-N 3.32Å; T341-S345 WeakPolarHBondContact O-CB 3.5Å; T341-S345 PolarHBondContact O-N 2.74Å; T341-S345 PolarHBondContact O-OG 3.01Å; T341-L403 WeakPolarHBondContact OG1-CD1 3.25Å; T341-K406 HydrophobicContact CG2-CD 4.18Å |
| 342 | S | 89.7 | Confident | 88.3 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 20% | 0.203 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 179.5 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | Q338 C339 L340 I344 S345 S346 | Q338-S342 VanDerWaalsContact O-CB 3.3Å; Q338-S342 WeakPolarHBondContact O-CB 3.34Å; Q338-S342 PolarHBondContact O-N 3.38Å; Q338-S342 PolarHBondContact O-OG 3.4Å; C339-S342 PolarHBondContact O-N 2.85Å; L340-S342 VanDerWaalsContact C-N 3.3Å; L340-S342 PolarHBondContact O-N 2.99Å; S342-I344 PolarHBondContact O-N 3.27Å; S342-S345 PolarHBondContact O-N 3.18Å; S342-S346 WeakPolarHBondContact O-CB 3.38Å; S342-S346 PolarHBondContact O-N 3.02Å; S342-S346 VanDerWaalsContact O-N 3.15Å; S342-S346 PolarHBondContact O-OG 3Å; S342-S346 VanDerWaalsContact O-OG 3.07Å |
| 343 | L | 88.8 | Confident | 88 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 172.5 | -68.7 | 169.1 | 0 | 0 | 0 | 111.7 | V271 I289 C339 L340 S345 S346 S348 R349 M352 | V271-L343 HydrophobicContact CG2-CD2 3.92Å; V271-L343 HydrophobicContact CG2-CG 4.28Å; I289-L343 HydrophobicContact CG1-CD1 4.38Å; C339-L343 VanDerWaalsContact O-CG 3.3Å; C339-L343 WeakPolarHBondContact O-CG 3.38Å; C339-L343 PolarHBondContact O-N 3.12Å; L340-L343 PolarHBondContact O-N 3.31Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 2.9Å; L343-S346 PolarHBondContact O-N 3.47Å; L343-S346 PolarHBondContact O-OG 3.21Å; L343-S348 WeakPolarHBondContact CA-OG 3.34Å; L343-S348 WeakPolarHBondContact CD2-OG 3.47Å; L343-S348 PolarHBondContact O-OG 2.9Å; L343-R349 PolarHBondContact O-N 3.42Å; L343-M352 HydrophobicContact CB-CE 3.76Å; L343-M352 HydrophobicContact CB-SD 3.57Å; L343-M352 VanDerWaalsContact CB-SD 3.57Å; L343-M352 HydrophobicContact CD1-SD 4.29Å; L343-M352 WeakPolarHBondContact O-CE 3.31Å |
| 344 | I | 88.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.7 | -29.9 | -177.5 | -70.3 | 165.5 | 0 | 0 | 0 | 111 | L340 T341 S342 R349 M352 L403 K406 I407 I411 | L340-I344 WeakPolarHBondContact O-CB 3.45Å; L340-I344 VanDerWaalsContact O-CG1 3.27Å; L340-I344 WeakPolarHBondContact O-CG1 3.16Å; L340-I344 PolarHBondContact O-N 3.37Å; T341-I344 PolarHBondContact O-N 3.32Å; S342-I344 PolarHBondContact O-N 3.27Å; I344-R349 WeakPolarHBondContact O-CD 3.23Å; I344-M352 VanDerWaalsContact CA-CE 3.44Å; I344-M352 HydrophobicContact CB-CE 3.99Å; I344-M352 HydrophobicContact CD1-CE 4.48Å; I344-M352 HydrophobicContact CG1-CE 3.26Å; I344-M352 HydrophobicContact CG1-SD 4.13Å; I344-L403 HydrophobicContact CD1-CD1 3.43Å; I344-L403 VanDerWaalsContact CD1-CD1 3.43Å; I344-L403 HydrophobicContact CD1-CG 4.25Å; I344-K406 HydrophobicContact CG2-CG 4.34Å; I344-I407 HydrophobicContact CD1-CD1 3.56Å; I344-I407 HydrophobicContact CD1-CG1 3.31Å; I344-I407 HydrophobicContact CG1-CG1 4.36Å; I344-I407 HydrophobicContact CG2-CG1 4.45Å; I344-I411 HydrophobicContact CG2-CD1 4.44Å |
| 345 | S | 86.6 | Confident | 87.6 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -81.4 | -17.7 | 179.2 | -51.1 | 0 | 0 | 0 | 0 | 113.4 | T341 S342 L343 K406 | T341-S345 WeakPolarHBondContact O-CB 3.5Å; T341-S345 PolarHBondContact O-N 2.74Å; T341-S345 PolarHBondContact O-OG 3.01Å; S342-S345 PolarHBondContact O-N 3.18Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 2.9Å; S345-K406 WeakPolarHBondContact OG-CE 3.33Å; S345-K406 PolarHBondContact OG-NZ 3.17Å |
| 346 | S | 83.5 | Confident | 87.5 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -96.2 | 172 | -177.7 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | S342 L343 S348 R349 | S342-S346 WeakPolarHBondContact O-CB 3.38Å; S342-S346 PolarHBondContact O-N 3.02Å; S342-S346 VanDerWaalsContact O-N 3.15Å; S342-S346 PolarHBondContact O-OG 3Å; S342-S346 VanDerWaalsContact O-OG 3.07Å; L343-S346 PolarHBondContact O-N 3.47Å; L343-S346 PolarHBondContact O-OG 3.21Å; S346-S348 PolarHBondContact O-N 3.42Å; S346-S348 PolarHBondContact OG-OG 3.29Å; S346-R349 WeakPolarHBondContact O-CB 3.14Å; S346-R349 PolarHBondContact O-N 3.02Å; S346-R349 VanDerWaalsContact O-N 3.1Å |
| 347 | K | 81 | Confident | 87.4 | Confident | 186 Ų | 186 | 53 Ų | 53 | 81% | 0.809 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -17.3 | 173.9 | -65.9 | -174.3 | 177.9 | -175.9 | 0 | 113 | R349 | K347-R349 PolarHBondContact O-N 2.68Š|
| 348 | S | 78.2 | Confident | 87.3 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.2 | 176.1 | 76.6 | 0 | 0 | 0 | 0 | 114.2 | L343 S346 K350 S351 M352 | L343-S348 WeakPolarHBondContact CA-OG 3.34Å; L343-S348 WeakPolarHBondContact CD2-OG 3.47Å; L343-S348 PolarHBondContact O-OG 2.9Å; S346-S348 PolarHBondContact O-N 3.42Å; S346-S348 PolarHBondContact OG-OG 3.29Å; S348-K350 PolarHBondContact O-N 3.16Å; S348-K350 VanDerWaalsContact O-N 3.13Å; S348-S351 WeakPolarHBondContact O-CA 3.49Å; S348-S351 WeakPolarHBondContact O-CB 3.48Å; S348-S351 PolarHBondContact O-N 3.25Å; S348-M352 PolarHBondContact O-N 3.4Å |
| 349 | R | 82.1 | Confident | 87.4 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 32% | 0.317 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -45 | -42.1 | 171.8 | -173.8 | 176.8 | 68.4 | -172.8 | -3.2 | 113.5 | L343 I344 S346 K347 S351 M352 I353 K410 I411 | L343-R349 PolarHBondContact O-N 3.42Å; I344-R349 WeakPolarHBondContact O-CD 3.23Å; S346-R349 WeakPolarHBondContact O-CB 3.14Å; S346-R349 PolarHBondContact O-N 3.02Å; S346-R349 VanDerWaalsContact O-N 3.1Å; K347-R349 PolarHBondContact O-N 2.68Å; R349-S351 VanDerWaalsContact C-N 3.26Å; R349-S351 PolarHBondContact O-N 3.01Å; R349-M352 PolarHBondContact O-N 3.25Å; R349-M352 VanDerWaalsContact O-N 3.11Å; R349-I353 PolarHBondContact O-N 3.47Å; R349-K410 PolarHBondContact NH1-O 3.35Å; R349-I411 HydrophobicContact CG-CD1 4.15Å; R349-I411 HydrophobicContact CG-CG1 3.97Å |
| 350 | K | 83.2 | Confident | 87.5 | Confident | 144 Ų | 144 | 52.3 Ų | 52.3 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.1 | -37.8 | 178 | -67.5 | -169.7 | 179.6 | -170.7 | 0 | 112.1 | S348 | S348-K350 PolarHBondContact O-N 3.16Å; S348-K350 VanDerWaalsContact O-N 3.13Å |
| 351 | S | 83.3 | Confident | 87.6 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.3 | -26.9 | 179.3 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | S348 R349 | S348-S351 WeakPolarHBondContact O-CA 3.49Å; S348-S351 WeakPolarHBondContact O-CB 3.48Å; S348-S351 PolarHBondContact O-N 3.25Å; R349-S351 VanDerWaalsContact C-N 3.26Å; R349-S351 PolarHBondContact O-N 3.01Å |
| 352 | M | 84.6 | Confident | 87.8 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -77.6 | -19.8 | 179.7 | -75.7 | -165 | -60.8 | 0 | 0 | 114.4 | I289 L343 I344 S348 R349 K354 Y355 L356 | I289-M352 HydrophobicContact CD1-CG 3.65Å; I289-M352 HydrophobicContact CG1-CG 4.04Å; I289-M352 HydrophobicContact CG2-CG 4.03Å; L343-M352 HydrophobicContact CB-CE 3.76Å; L343-M352 HydrophobicContact CB-SD 3.57Å; L343-M352 VanDerWaalsContact CB-SD 3.57Å; L343-M352 HydrophobicContact CD1-SD 4.29Å; L343-M352 WeakPolarHBondContact O-CE 3.31Å; I344-M352 VanDerWaalsContact CA-CE 3.44Å; I344-M352 HydrophobicContact CB-CE 3.99Å; I344-M352 HydrophobicContact CD1-CE 4.48Å; I344-M352 HydrophobicContact CG1-CE 3.26Å; I344-M352 HydrophobicContact CG1-SD 4.13Å; S348-M352 PolarHBondContact O-N 3.4Å; R349-M352 PolarHBondContact O-N 3.25Å; R349-M352 VanDerWaalsContact O-N 3.11Å; M352-K354 PolarHBondContact O-N 3.38Å; M352-Y355 WeakPolarHBondContact O-CA 3.38Å; M352-Y355 PolarHBondContact O-N 2.8Å; M352-L356 PolarHBondContact O-N 3.09Å |
| 353 | I | 84.7 | Confident | 88.1 | Confident | 82 Ų | 82 | 51.7 Ų | 51.7 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -51.1 | -36.1 | -177.9 | -64.7 | 172.2 | 0 | 0 | 0 | 112 | R349 Y355 L356 | R349-I353 PolarHBondContact O-N 3.47Å; I353-Y355 PolarHBondContact O-N 3.24Å; I353-L356 HydrophobicContact CB-CD1 4.36Å; I353-L356 HydrophobicContact CG1-CD1 4.3Å; I353-L356 HydrophobicContact CG2-CD1 4.48Å; I353-L356 PolarHBondContact O-N 3.45Å |
| 354 | K | 87.5 | Confident | 88.5 | Confident | 176 Ų | 176 | 51.2 Ų | 51.2 | 77% | 0.765 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -65.1 | -18.3 | 179.3 | -61.8 | 177.5 | -175.6 | 173.1 | 0 | 114.2 | M352 | M352-K354 PolarHBondContact O-N 3.38Š|
| 355 | Y | 89.6 | Confident | 88.8 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -115.8 | -1.8 | -173.3 | -56.6 | -80.8 | 0 | 0 | 0 | 113.4 | I289 N290 L293 M352 I353 D357 E358 L359 | I289-Y355 HydrophobicContact CG2-CD2 3.57Å; I289-Y355 HydrophobicContact CG2-CE2 3.8Å; I289-Y355 HydrophobicContact CG2-CG 4.19Å; N290-Y355 HydrophobicContact CB-CE1 4.48Å; L293-Y355 HydrophobicContact CD1-CD1 3.33Å; L293-Y355 HydrophobicContact CD1-CD2 3.97Å; L293-Y355 HydrophobicContact CD1-CE1 4.1Å; L293-Y355 HydrophobicContact CD1-CG 3.24Å; M352-Y355 WeakPolarHBondContact O-CA 3.38Å; M352-Y355 PolarHBondContact O-N 2.8Å; I353-Y355 PolarHBondContact O-N 3.24Å; Y355-D357 VanDerWaalsContact C-N 3.29Å; Y355-D357 PolarHBondContact O-N 3.24Å; Y355-E358 PolarHBondContact O-N 3.38Å; Y355-L359 WeakPolarHBondContact O-CB 3.25Å; Y355-L359 PolarHBondContact O-N 3.32Å |
| 356 | L | 90.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | -174.6 | -72.5 | 174.3 | 0 | 0 | 0 | 113.2 | M352 I353 E358 L359 C360 I411 F417 | M352-L356 PolarHBondContact O-N 3.09Å; I353-L356 HydrophobicContact CB-CD1 4.36Å; I353-L356 HydrophobicContact CG1-CD1 4.3Å; I353-L356 HydrophobicContact CG2-CD1 4.48Å; I353-L356 PolarHBondContact O-N 3.45Å; L356-E358 VanDerWaalsContact C-N 3.34Å; L356-E358 PolarHBondContact O-N 3.4Å; L356-L359 HydrophobicContact CD2-CD2 4.34Å; L356-L359 PolarHBondContact O-N 2.96Å; L356-C360 WeakPolarHBondContact O-CB 3.42Å; L356-C360 PolarHBondContact O-N 3.16Å; L356-C360 PolarHBondContact O-SG 3.22Å; L356-I411 HydrophobicContact CD1-CD1 3.81Å; L356-I411 HydrophobicContact CD1-CG2 3.7Å; L356-I411 HydrophobicContact CD2-CD1 3.71Å; L356-I411 HydrophobicContact CG-CD1 4.41Å; L356-F417 HydrophobicContact CB-CD1 3.91Å; L356-F417 HydrophobicContact CB-CD2 4.1Å; L356-F417 HydrophobicContact CB-CE1 4.09Å; L356-F417 HydrophobicContact CB-CE2 4.27Å; L356-F417 HydrophobicContact CB-CG 3.92Å; L356-F417 HydrophobicContact CB-CZ 4.26Å; L356-F417 HydrophobicContact CD1-CD2 3.91Å; L356-F417 HydrophobicContact CD1-CE2 3.79Å; L356-F417 HydrophobicContact CD1-CZ 4.33Å |
| 357 | D | 90.9 | Very high | 89.8 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 34% | 0.337 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -43.4 | -180 | -176.9 | 49.5 | 0 | 0 | 0 | 112.5 | Y355 Y361 F417 C420 K424 | Y355-D357 VanDerWaalsContact C-N 3.29Å; Y355-D357 PolarHBondContact O-N 3.24Å; D357-Y361 WeakPolarHBondContact O-CB 3.42Å; D357-Y361 PolarHBondContact O-N 3.37Å; D357-F417 HydrophobicContact CB-CD1 4.29Å; D357-F417 HydrophobicContact CB-CE1 4.49Å; D357-C420 PolarHBondContact OD1-SG 2.7Å; D357-C420 VanDerWaalsContact OD1-SG 3.41Å; D357-K424 IonicContact OD1-NZ 2.73Å; D357-K424 PolarHBondContact OD1-NZ 3.28Å; D357-K424 IonicContact OD2-NZ 2.73Å; D357-K424 PolarHBondContact OD2-NZ 3.31Å |
| 358 | E | 92.3 | Very high | 90.4 | Very high | 83 Ų | 83 | 39.4 Ų | 39.4 | 39% | 0.388 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -76.3 | -43.1 | 176.3 | -173.1 | 60.9 | -152.7 | 0 | 0 | 110.9 | V297 Y355 L356 C360 Y361 Q362 | V297-E358 HydrophobicContact CG2-CG 4.42Å; Y355-E358 PolarHBondContact O-N 3.38Å; L356-E358 VanDerWaalsContact C-N 3.34Å; L356-E358 PolarHBondContact O-N 3.4Å; E358-C360 PolarHBondContact O-N 2.96Å; E358-Y361 PolarHBondContact O-N 3.27Å; E358-Q362 HydrophobicContact CG-CG 4.48Å; E358-Q362 WeakPolarHBondContact O-CG 3.49Å; E358-Q362 PolarHBondContact O-N 3.26Å; E358-Q362 PolarHBondContact OE1-NE2 2.82Å |
| 359 | L | 93.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.3 | -51.1 | -179.3 | 177.8 | 60.5 | 0 | 0 | 0 | 111.8 | L293 V296 L340 Y355 L356 Y361 Q362 L363 | L293-L359 HydrophobicContact CD2-CB 3.78Å; L293-L359 HydrophobicContact CD2-CD1 3.82Å; L293-L359 HydrophobicContact CD2-CD2 4.46Å; L293-L359 HydrophobicContact CD2-CG 4.22Å; V296-L359 HydrophobicContact CG1-CD1 4.46Å; L340-L359 HydrophobicContact CD1-CD1 3.74Å; L340-L359 HydrophobicContact CD2-CD1 3.81Å; L340-L359 HydrophobicContact CD2-CD2 4.22Å; L340-L359 HydrophobicContact CG-CD1 4.41Å; Y355-L359 WeakPolarHBondContact O-CB 3.25Å; Y355-L359 PolarHBondContact O-N 3.32Å; L356-L359 HydrophobicContact CD2-CD2 4.34Å; L356-L359 PolarHBondContact O-N 2.96Å; L359-Y361 VanDerWaalsContact C-N 3.28Å; L359-Y361 PolarHBondContact O-N 3.17Å; L359-Q362 PolarHBondContact O-N 2.9Å; L359-Q362 VanDerWaalsContact O-N 3.16Å; L359-L363 HydrophobicContact CD1-CD1 3.95Å; L359-L363 HydrophobicContact CD1-CD2 4.41Å; L359-L363 HydrophobicContact CD1-CG 3.92Å; L359-L363 HydrophobicContact CD2-CD1 4.46Å; L359-L363 HydrophobicContact CG-CD1 3.85Å; L359-L363 HydrophobicContact CG-CG 4.23Å; L359-L363 WeakPolarHBondContact O-CB 3.4Å; L359-L363 VanDerWaalsContact O-CG 3.31Å; L359-L363 WeakPolarHBondContact O-CG 3.46Å; L359-L363 PolarHBondContact O-N 3.44Å |
| 360 | C | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 177.8 | -70.7 | 0 | 0 | 0 | 0 | 110.9 | L356 E358 Q362 L363 C364 F417 I418 A421 | L356-C360 WeakPolarHBondContact O-CB 3.42Å; L356-C360 PolarHBondContact O-N 3.16Å; L356-C360 PolarHBondContact O-SG 3.22Å; E358-C360 PolarHBondContact O-N 2.96Å; C360-Q362 VanDerWaalsContact C-N 3.34Å; C360-Q362 PolarHBondContact O-N 2.75Å; C360-L363 PolarHBondContact O-N 3.22Å; C360-C364 WeakPolarHBondContact O-CB 3.23Å; C360-C364 PolarHBondContact O-N 2.91Å; C360-C364 PolarHBondContact O-SG 2.92Å; C360-F417 HydrophobicContact CB-CB 4.46Å; C360-I418 HydrophobicContact CB-CD1 3.88Å; C360-I418 VanDerWaalsContact SG-CD1 3.58Å; C360-A421 HydrophobicContact CB-CB 3.91Å |
| 361 | Y | 95.4 | Very high | 91.8 | Very high | 42 Ų | 42 | 31 Ų | 31 | 17% | 0.165 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -38.4 | 177 | 177.8 | -112 | 0 | 0 | 0 | 113.4 | D357 E358 L359 Q365 K424 M425 L428 | D357-Y361 WeakPolarHBondContact O-CB 3.42Å; D357-Y361 PolarHBondContact O-N 3.37Å; E358-Y361 PolarHBondContact O-N 3.27Å; L359-Y361 VanDerWaalsContact C-N 3.28Å; L359-Y361 PolarHBondContact O-N 3.17Å; Y361-Q365 WeakPolarHBondContact O-CG 3.1Å; Y361-Q365 PolarHBondContact O-N 3.38Å; Y361-Q365 PolarHBondContact O-NE2 3.26Å; Y361-Q365 VanDerWaalsContact O-NE2 3.09Å; Y361-K424 HydrophobicContact CD2-CB 3.6Å; Y361-K424 HydrophobicContact CD2-CD 3.97Å; Y361-K424 HydrophobicContact CD2-CG 4.46Å; Y361-K424 HydrophobicContact CE2-CB 3.53Å; Y361-K424 HydrophobicContact CE2-CD 4.48Å; Y361-K424 HydrophobicContact CG-CD 4.26Å; Y361-M425 HydrophobicContact CD2-CG 4.27Å; Y361-M425 HydrophobicContact CE2-CG 4.05Å; Y361-L428 WeakPolarHBondContact OH-CD2 3.21Å |
| 362 | Q | 95.5 | Very high | 92 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.4 | -44.8 | 175.7 | -62.9 | -57.5 | -31.4 | 0 | 0 | 112 | V296 V297 V300 E358 L359 C360 C364 Q365 L366 | V296-Q362 HydrophobicContact CG1-CB 3.63Å; V296-Q362 HydrophobicContact CG1-CG 4.26Å; V297-Q362 HydrophobicContact CG2-CG 3.84Å; V300-Q362 HydrophobicContact CG2-CB 3.88Å; E358-Q362 HydrophobicContact CG-CG 4.48Å; E358-Q362 WeakPolarHBondContact O-CG 3.49Å; E358-Q362 PolarHBondContact O-N 3.26Å; E358-Q362 PolarHBondContact OE1-NE2 2.82Å; L359-Q362 PolarHBondContact O-N 2.9Å; L359-Q362 VanDerWaalsContact O-N 3.16Å; C360-Q362 VanDerWaalsContact C-N 3.34Å; C360-Q362 PolarHBondContact O-N 2.75Å; Q362-C364 PolarHBondContact O-N 2.62Å; Q362-Q365 WeakPolarHBondContact O-CB 3.33Å; Q362-Q365 PolarHBondContact O-N 3.22Å; Q362-Q365 VanDerWaalsContact O-N 3.16Å; Q362-L366 PolarHBondContact O-N 2.93Å |
| 363 | L | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 177.5 | -70 | 177.8 | 0 | 0 | 0 | 111.5 | L337 L340 L359 C360 Q365 L366 T400 L403 I404 I407 | L337-L363 HydrophobicContact CD2-CD2 3.69Å; L340-L363 HydrophobicContact CD1-CD2 3.92Å; L359-L363 HydrophobicContact CD1-CD1 3.95Å; L359-L363 HydrophobicContact CD1-CD2 4.41Å; L359-L363 HydrophobicContact CD1-CG 3.92Å; L359-L363 HydrophobicContact CD2-CD1 4.46Å; L359-L363 HydrophobicContact CG-CD1 3.85Å; L359-L363 HydrophobicContact CG-CG 4.23Å; L359-L363 WeakPolarHBondContact O-CB 3.4Å; L359-L363 VanDerWaalsContact O-CG 3.31Å; L359-L363 WeakPolarHBondContact O-CG 3.46Å; L359-L363 PolarHBondContact O-N 3.44Å; C360-L363 PolarHBondContact O-N 3.22Å; L363-Q365 PolarHBondContact O-N 3.22Å; L363-L366 HydrophobicContact CD2-CD1 4.4Å; L363-L366 WeakPolarHBondContact O-CB 3.38Å; L363-L366 PolarHBondContact O-N 2.96Å; L363-T400 HydrophobicContact CB-CG2 4.11Å; L363-T400 HydrophobicContact CD2-CG2 4.23Å; L363-T400 WeakPolarHBondContact O-CG2 3.42Å; L363-L403 HydrophobicContact CD1-CD2 3.82Å; L363-L403 HydrophobicContact CD1-CG 4.07Å; L363-L403 HydrophobicContact CD2-CD2 3.9Å; L363-I404 HydrophobicContact CB-CD1 4.35Å; L363-I404 HydrophobicContact CB-CG1 4.22Å; L363-I407 HydrophobicContact CD1-CD1 3.54Å |
| 364 | C | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -28.2 | 179.5 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | C360 Q362 M425 I450 | C360-C364 WeakPolarHBondContact O-CB 3.23Å; C360-C364 PolarHBondContact O-N 2.91Å; C360-C364 PolarHBondContact O-SG 2.92Å; Q362-C364 PolarHBondContact O-N 2.62Å; C364-M425 HydrophobicContact CB-CE 4.4Å; C364-M425 HydrophobicContact CB-SD 3.18Å; C364-M425 WeakPolarHBondContact CB-SD 3.28Å; C364-M425 WeakPolarHBondContact O-CE 3.43Å; C364-I450 HydrophobicContact CB-CD1 3.56Å |
| 365 | Q | 95.7 | Very high | 92.5 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -73.1 | -30.2 | 172.8 | -74.9 | 175.4 | 89.1 | 0 | 0 | 113.7 | V300 Y361 Q362 L363 V367 Q368 M425 L443 | V300-Q365 HydrophobicContact CG1-CB 3.71Å; Y361-Q365 WeakPolarHBondContact O-CG 3.1Å; Y361-Q365 PolarHBondContact O-N 3.38Å; Y361-Q365 PolarHBondContact O-NE2 3.26Å; Y361-Q365 VanDerWaalsContact O-NE2 3.09Å; Q362-Q365 WeakPolarHBondContact O-CB 3.33Å; Q362-Q365 PolarHBondContact O-N 3.22Å; Q362-Q365 VanDerWaalsContact O-N 3.16Å; L363-Q365 PolarHBondContact O-N 3.22Å; Q365-V367 PolarHBondContact O-N 3.22Å; Q365-Q368 VanDerWaalsContact O-CG 3.3Å; Q365-Q368 WeakPolarHBondContact O-CG 3.07Å; Q365-Q368 PolarHBondContact O-N 3.37Å; Q365-Q368 PolarHBondContact O-NE2 3.4Å; Q365-M425 HydrophobicContact CG-CE 4.43Å; Q365-M425 HydrophobicContact CG-CG 4.21Å; Q365-M425 HydrophobicContact CG-SD 4.39Å; Q365-L443 HydrophobicContact CG-CD2 4.03Å |
| 366 | L | 94.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.8 | -18.8 | 176.4 | -76.6 | 172.8 | 0 | 0 | 0 | 113.1 | V300 Y303 V333 L337 Q362 L363 Q368 T400 | V300-L366 HydrophobicContact CB-CD2 4.37Å; V300-L366 HydrophobicContact CB-CG 4.48Å; V300-L366 HydrophobicContact CG2-CD1 3.88Å; V300-L366 HydrophobicContact CG2-CD2 3.86Å; V300-L366 HydrophobicContact CG2-CG 3.59Å; Y303-L366 HydrophobicContact CD1-CD2 3.96Å; Y303-L366 HydrophobicContact CG-CD2 4.12Å; V333-L366 HydrophobicContact CG1-CD1 4.36Å; V333-L366 HydrophobicContact CG1-CD2 4.4Å; L337-L366 HydrophobicContact CD2-CD1 4.34Å; Q362-L366 PolarHBondContact O-N 2.93Å; L363-L366 HydrophobicContact CD2-CD1 4.4Å; L363-L366 WeakPolarHBondContact O-CB 3.38Å; L363-L366 PolarHBondContact O-N 2.96Å; L366-Q368 PolarHBondContact O-N 3.44Å; L366-T400 HydrophobicContact CB-CG2 4.07Å |
| 367 | V | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.6 | 178.6 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | Q365 R397 T400 I404 A446 F449 I450 | Q365-V367 PolarHBondContact O-N 3.22Å; V367-R397 HydrophobicContact CG1-CG 4.02Å; V367-R397 WeakPolarHBondContact O-CD 3.24Å; V367-R397 WeakPolarHBondContact O-CG 3.25Å; V367-R397 PolarHBondContact O-NH1 3.37Å; V367-T400 HydrophobicContact CG2-CG2 3.67Å; V367-I404 HydrophobicContact CG2-CD1 3.78Å; V367-A446 HydrophobicContact CB-CB 4.23Å; V367-A446 HydrophobicContact CG1-CB 4.15Å; V367-F449 HydrophobicContact CG1-CD1 3.54Å; V367-F449 HydrophobicContact CG1-CE1 4.04Å; V367-I450 HydrophobicContact CB-CD1 4.1Å; V367-I450 HydrophobicContact CB-CG1 4.33Å; V367-I450 HydrophobicContact CG1-CD1 4.23Å; V367-I450 HydrophobicContact CG1-CG1 3.96Å; V367-I450 HydrophobicContact CG2-CD1 3.93Å; V367-I450 HydrophobicContact CG2-CG1 4.09Å |
| 368 | Q | 94.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -53.6 | 145.4 | -178 | -71 | 176.5 | 92.1 | 0 | 0 | 113.9 | I308 Q365 L366 P370 K442 L443 A446 | I308-Q368 HydrophobicContact CD1-CB 3.6Å; I308-Q368 HydrophobicContact CD1-CG 4.43Å; I308-Q368 HydrophobicContact CG1-CB 4.3Å; I308-Q368 HydrophobicContact CG2-CB 4.29Å; Q365-Q368 VanDerWaalsContact O-CG 3.3Å; Q365-Q368 WeakPolarHBondContact O-CG 3.07Å; Q365-Q368 PolarHBondContact O-N 3.37Å; Q365-Q368 PolarHBondContact O-NE2 3.4Å; L366-Q368 PolarHBondContact O-N 3.44Å; Q368-P370 VanDerWaalsContact O-CD 3.31Å; Q368-P370 WeakPolarHBondContact O-CD 3.43Å; Q368-K442 HydrophobicContact CB-CB 4.42Å; Q368-K442 HydrophobicContact CG-CB 4.33Å; Q368-L443 HydrophobicContact CG-CD2 4.06Å; Q368-A446 HydrophobicContact CG-CB 3.93Å |
| 369 | L | 92.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -70 | 120.9 | -179.2 | -67.2 | 171 | 0 | 0 | 0 | 113 | L374 W377 K442 E445 F503 | L369-L374 HydrophobicContact CB-CD2 4.01Å; L369-L374 HydrophobicContact CB-CG 4.47Å; L369-L374 HydrophobicContact CD1-CD2 3.85Å; L369-L374 HydrophobicContact CG-CD2 4.48Å; L369-W377 HydrophobicContact CD1-CZ3 4.13Å; L369-W377 HydrophobicContact CD2-CH2 3.61Å; L369-W377 HydrophobicContact CD2-CZ3 3.53Å; L369-W377 HydrophobicContact CG-CZ3 4.49Å; L369-K442 WeakPolarHBondContact O-CD 3.27Å; L369-K442 PolarHBondContact O-NZ 3.09Å; L369-E445 HydrophobicContact CD1-CG 4.14Å; L369-F503 HydrophobicContact CD1-CB 4.13Å |
| 370 | P | 92 | Very high | 92.3 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -64 | 149.3 | 169.7 | -21.7 | 35.1 | 0 | 0 | 0 | 112.2 | Y303 Q307 Q368 K372 T373 L374 | Y303-P370 WeakPolarHBondContact OH-CG 3.31Å; Q307-P370 HydrophobicContact CB-CB 4.36Å; Q307-P370 WeakPolarHBondContact O-CA 3.4Å; Q368-P370 VanDerWaalsContact O-CD 3.31Å; Q368-P370 WeakPolarHBondContact O-CD 3.43Å; P370-K372 VanDerWaalsContact C-N 3.34Å; P370-K372 PolarHBondContact O-N 2.92Å; P370-T373 WeakPolarHBondContact O-CB 3.23Å; P370-T373 PolarHBondContact O-N 3.45Å; P370-L374 PolarHBondContact O-N 3.3Å |
| 371 | E | 88.5 | Confident | 92 | Very high | 46 Ų | 46 | 39 Ų | 39 | 22% | 0.215 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 178 | -74.6 | -66.3 | 151 | 0 | 0 | 112.7 | Q307 S310 T373 L374 E375 K442 | Q307-E371 PolarHBondContact O-N 3.25Å; S310-E371 WeakPolarHBondContact O-CG 3.44Å; E371-T373 VanDerWaalsContact C-N 3.26Å; E371-T373 PolarHBondContact O-N 3.38Å; E371-L374 WeakPolarHBondContact O-CB 3.49Å; E371-L374 PolarHBondContact O-N 3.18Å; E371-E375 PolarHBondContact O-N 2.99Å; E371-K442 VanDerWaalsContact CD-NZ 3.3Å; E371-K442 WeakPolarHBondContact OE1-CE 3.24Å; E371-K442 IonicContact OE1-NZ 3.34Å; E371-K442 PolarHBondContact OE1-NZ 3.3Å |
| 372 | K | 86.5 | Confident | 91.7 | Very high | 136 Ų | 136 | 39 Ų | 39 | 59% | 0.591 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -56 | -40.7 | 176.4 | -174.1 | -178.5 | 177.1 | -173.9 | 0 | 111.9 | P370 E375 I376 | P370-K372 VanDerWaalsContact C-N 3.34Å; P370-K372 PolarHBondContact O-N 2.92Å; K372-E375 PolarHBondContact O-N 2.86Å; K372-I376 HydrophobicContact CG-CD1 4.15Å; K372-I376 VanDerWaalsContact O-CG1 3.3Å; K372-I376 WeakPolarHBondContact O-CG1 3.44Å; K372-I376 PolarHBondContact O-N 2.84Å; K372-I376 VanDerWaalsContact O-N 3.08Å |
| 373 | T | 89.3 | Confident | 91.3 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 176.8 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | P370 E371 E375 I376 W377 | P370-T373 WeakPolarHBondContact O-CB 3.23Å; P370-T373 PolarHBondContact O-N 3.45Å; E371-T373 VanDerWaalsContact C-N 3.26Å; E371-T373 PolarHBondContact O-N 3.38Å; T373-E375 VanDerWaalsContact C-N 3.31Å; T373-E375 PolarHBondContact O-N 3.33Å; T373-I376 PolarHBondContact O-N 2.71Å; T373-W377 HydrophobicContact CG2-CD2 3.69Å; T373-W377 HydrophobicContact CG2-CE3 4.08Å; T373-W377 HydrophobicContact CG2-CG 4.31Å; T373-W377 HydrophobicContact CG2-CH2 3.95Å; T373-W377 HydrophobicContact CG2-CZ2 3.5Å; T373-W377 VanDerWaalsContact CG2-CZ2 3.5Å; T373-W377 HydrophobicContact CG2-CZ3 4.21Å; T373-W377 WeakPolarHBondContact O-CB 3.36Å; T373-W377 VanDerWaalsContact O-CG 3.31Å; T373-W377 PolarHBondContact O-N 3.49Å |
| 374 | L | 90.2 | Very high | 91 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 177.2 | -59 | 178.4 | 0 | 0 | 0 | 111.8 | L369 P370 E371 S378 W441 F503 | L369-L374 HydrophobicContact CB-CD2 4.01Å; L369-L374 HydrophobicContact CB-CG 4.47Å; L369-L374 HydrophobicContact CD1-CD2 3.85Å; L369-L374 HydrophobicContact CG-CD2 4.48Å; P370-L374 PolarHBondContact O-N 3.3Å; E371-L374 WeakPolarHBondContact O-CB 3.49Å; E371-L374 PolarHBondContact O-N 3.18Å; L374-S378 WeakPolarHBondContact O-CB 3.29Å; L374-S378 PolarHBondContact O-N 3.3Å; L374-S378 PolarHBondContact O-OG 3.42Å; L374-W441 HydrophobicContact CD1-CH2 3.92Å; L374-W441 HydrophobicContact CD1-CZ2 4.01Å; L374-W441 HydrophobicContact CD2-CH2 4.24Å; L374-F503 HydrophobicContact CB-CE2 4.22Å; L374-F503 HydrophobicContact CD2-CB 4.37Å; L374-F503 HydrophobicContact CD2-CD1 4.15Å; L374-F503 HydrophobicContact CD2-CD2 3.53Å; L374-F503 HydrophobicContact CD2-CE1 4.3Å; L374-F503 HydrophobicContact CD2-CE2 3.69Å; L374-F503 HydrophobicContact CD2-CG 3.75Å; L374-F503 HydrophobicContact CD2-CZ 4.07Å; L374-F503 HydrophobicContact CG-CE2 4.49Å |
| 375 | E | 88.8 | Confident | 90.5 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 176 | -68.2 | -174.7 | 164.8 | 0 | 0 | 111.8 | S312 E371 K372 T373 S378 N379 | S312-E375 WeakPolarHBondContact CB-OE1 3.44Å; S312-E375 PolarHBondContact OG-OE1 2.94Å; E371-E375 PolarHBondContact O-N 2.99Å; K372-E375 PolarHBondContact O-N 2.86Å; T373-E375 VanDerWaalsContact C-N 3.31Å; T373-E375 PolarHBondContact O-N 3.33Å; E375-S378 PolarHBondContact O-N 2.86Å; E375-N379 WeakPolarHBondContact O-CB 3.48Å; E375-N379 VanDerWaalsContact O-CG 3.22Å; E375-N379 PolarHBondContact O-N 3.45Å; E375-N379 VanDerWaalsContact O-N 3.14Å; E375-N379 PolarHBondContact O-ND2 3.29Å |
| 376 | I | 89.1 | Confident | 89.9 | Confident | 70 Ų | 70 | 45.9 Ų | 45.9 | 36% | 0.359 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.5 | -52.6 | 177.3 | -66.2 | 164.3 | 0 | 0 | 0 | 110.3 | K372 T373 S378 N379 S380 E383 | K372-I376 HydrophobicContact CG-CD1 4.15Å; K372-I376 VanDerWaalsContact O-CG1 3.3Å; K372-I376 WeakPolarHBondContact O-CG1 3.44Å; K372-I376 PolarHBondContact O-N 2.84Å; K372-I376 VanDerWaalsContact O-N 3.08Å; T373-I376 PolarHBondContact O-N 2.71Å; I376-S378 VanDerWaalsContact C-N 3.27Å; I376-S378 PolarHBondContact O-N 2.85Å; I376-N379 PolarHBondContact O-N 3.02Å; I376-S380 PolarHBondContact O-N 3.28Å; I376-E383 HydrophobicContact CG2-CB 3.83Å; I376-E383 HydrophobicContact CG2-CG 3.93Å |
| 377 | W | 91.5 | Very high | 89.3 | Confident | 28 Ų | 28 | 48.3 Ų | 48.3 | 11% | 0.106 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -29.6 | -179 | -67 | -7.9 | 0 | 0 | 0 | 113.3 | L369 T373 N379 Y384 D387 F503 | L369-W377 HydrophobicContact CD1-CZ3 4.13Å; L369-W377 HydrophobicContact CD2-CH2 3.61Å; L369-W377 HydrophobicContact CD2-CZ3 3.53Å; L369-W377 HydrophobicContact CG-CZ3 4.49Å; T373-W377 HydrophobicContact CG2-CD2 3.69Å; T373-W377 HydrophobicContact CG2-CE3 4.08Å; T373-W377 HydrophobicContact CG2-CG 4.31Å; T373-W377 HydrophobicContact CG2-CH2 3.95Å; T373-W377 HydrophobicContact CG2-CZ2 3.5Å; T373-W377 VanDerWaalsContact CG2-CZ2 3.5Å; T373-W377 HydrophobicContact CG2-CZ3 4.21Å; T373-W377 WeakPolarHBondContact O-CB 3.36Å; T373-W377 VanDerWaalsContact O-CG 3.31Å; T373-W377 PolarHBondContact O-N 3.49Å; W377-N379 VanDerWaalsContact C-N 3.32Å; W377-Y384 HydrophobicContact CB-CD2 4.04Å; W377-Y384 HydrophobicContact CB-CG 4.48Å; W377-Y384 AromaticContact CD2-CD2 3.59Å; W377-Y384 HydrophobicContact CD2-CD2 3.59Å; W377-Y384 HydrophobicContact CD2-CE2 4.22Å; W377-Y384 AromaticContact CE3-CD2 3.75Å; W377-Y384 HydrophobicContact CE3-CD2 3.75Å; W377-Y384 AromaticContact CE3-CE2 3.92Å; W377-Y384 HydrophobicContact CE3-CE2 3.92Å; W377-Y384 AromaticContact CG-CD2 3.76Å; W377-Y384 HydrophobicContact CG-CD2 3.76Å; W377-Y384 HydrophobicContact CG-CG 4.43Å; W377-Y384 HydrophobicContact CZ3-CD2 4.34Å; W377-Y384 HydrophobicContact CZ3-CE2 4.15Å; W377-D387 HydrophobicContact CZ2-CB 3.76Å; W377-D387 PolarHBondContact NE1-OD2 3.02Å; W377-F503 HydrophobicContact CB-CE1 3.83Å; W377-F503 HydrophobicContact CB-CZ 4.09Å; W377-F503 HydrophobicContact CD2-CE1 4.43Å; W377-F503 AromaticContact CE3-CD1 3.85Å; W377-F503 HydrophobicContact CE3-CD1 3.85Å; W377-F503 AromaticContact CE3-CE1 3.65Å; W377-F503 HydrophobicContact CE3-CE1 3.65Å; W377-F503 HydrophobicContact CZ3-CD1 4.37Å |
| 378 | S | 89.5 | Confident | 88.4 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.9 | -28.3 | 174.2 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | L374 E375 I376 | L374-S378 WeakPolarHBondContact O-CB 3.29Å; L374-S378 PolarHBondContact O-N 3.3Å; L374-S378 PolarHBondContact O-OG 3.42Å; E375-S378 PolarHBondContact O-N 2.86Å; I376-S378 VanDerWaalsContact C-N 3.27Å; I376-S378 PolarHBondContact O-N 2.85Å |
| 379 | N | 90 | Very high | 87.2 | Confident | 145 Ų | 145 | 52.5 Ų | 52.5 | 78% | 0.775 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -95.1 | -24.6 | -176.9 | -69.9 | -35.7 | 0 | 0 | 0 | 113.5 | E375 I376 W377 | E375-N379 WeakPolarHBondContact O-CB 3.48Å; E375-N379 VanDerWaalsContact O-CG 3.22Å; E375-N379 PolarHBondContact O-N 3.45Å; E375-N379 VanDerWaalsContact O-N 3.14Å; E375-N379 PolarHBondContact O-ND2 3.29Å; I376-N379 PolarHBondContact O-N 3.02Å; W377-N379 VanDerWaalsContact C-N 3.32Å |
| 380 | S | 91 | Very high | 85.7 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | trans | -136.1 | 115.2 | -178.2 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | I376 A382 E383 Y384 | I376-S380 PolarHBondContact O-N 3.28Å; S380-A382 VanDerWaalsContact C-N 3.32Å; S380-E383 WeakPolarHBondContact OG-CG 3.44Å; S380-E383 PolarHBondContact OG-N 3.41Å; S380-Y384 PolarHBondContact O-N 3.34Å | ||
| 381 | I | 89.6 | Confident | 84.3 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 173 | -74.9 | 171 | 0 | 0 | 0 | 111.2 | Y384 V385 I547 F604 V608 | I381-Y384 PolarHBondContact O-N 2.97Å; I381-V385 HydrophobicContact CG2-CG2 4.37Å; I381-V385 WeakPolarHBondContact O-CG2 3.37Å; I381-V385 PolarHBondContact O-N 3.14Å; I381-I547 HydrophobicContact CB-CD1 4.26Å; I381-I547 HydrophobicContact CG1-CD1 4.12Å; I381-I547 HydrophobicContact CG2-CD1 3.45Å; I381-I547 VanDerWaalsContact CG2-CD1 3.45Å; I381-F604 HydrophobicContact CD1-CD1 3.46Å; I381-F604 VanDerWaalsContact CD1-CD1 3.46Å; I381-F604 HydrophobicContact CD1-CE1 3.47Å; I381-F604 VanDerWaalsContact CD1-CE1 3.47Å; I381-V608 HydrophobicContact CG2-CG1 4.29Å |
| 382 | A | 88.1 | Confident | 83 | Confident | 41 Ų | 41 | 66 Ų | 66 | 34% | 0.339 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S380 Y384 V385 V386 P607 | S380-A382 VanDerWaalsContact C-N 3.32Å; A382-Y384 VanDerWaalsContact C-N 3.33Å; A382-Y384 PolarHBondContact O-N 3.04Å; A382-V385 PolarHBondContact O-N 3.12Å; A382-V386 WeakPolarHBondContact O-CG2 3.49Å; A382-V386 PolarHBondContact O-N 2.89Å; A382-P607 HydrophobicContact CB-CB 4.27Å |
| 383 | E | 87.7 | Confident | 82.1 | Confident | 94 Ų | 94 | 60.3 Ų | 60.3 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -42 | 175.7 | -61.2 | -65.8 | 155.7 | 0 | 0 | 111.2 | I376 S380 V385 V386 D387 | I376-E383 HydrophobicContact CG2-CB 3.83Å; I376-E383 HydrophobicContact CG2-CG 3.93Å; S380-E383 WeakPolarHBondContact OG-CG 3.44Å; S380-E383 PolarHBondContact OG-N 3.41Å; E383-V385 VanDerWaalsContact C-N 3.34Å; E383-V385 PolarHBondContact O-N 3.3Å; E383-V386 PolarHBondContact O-N 3.21Å; E383-D387 WeakPolarHBondContact O-CB 3.1Å; E383-D387 PolarHBondContact O-N 3.15Å |
| 384 | Y | 90 | Very high | 81.7 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 176.3 | 179 | -110.6 | 0 | 0 | 0 | 112.8 | W377 S380 I381 A382 S388 I544 I547 S548 | W377-Y384 HydrophobicContact CB-CD2 4.04Å; W377-Y384 HydrophobicContact CB-CG 4.48Å; W377-Y384 AromaticContact CD2-CD2 3.59Å; W377-Y384 HydrophobicContact CD2-CD2 3.59Å; W377-Y384 HydrophobicContact CD2-CE2 4.22Å; W377-Y384 AromaticContact CE3-CD2 3.75Å; W377-Y384 HydrophobicContact CE3-CD2 3.75Å; W377-Y384 AromaticContact CE3-CE2 3.92Å; W377-Y384 HydrophobicContact CE3-CE2 3.92Å; W377-Y384 AromaticContact CG-CD2 3.76Å; W377-Y384 HydrophobicContact CG-CD2 3.76Å; W377-Y384 HydrophobicContact CG-CG 4.43Å; W377-Y384 HydrophobicContact CZ3-CD2 4.34Å; W377-Y384 HydrophobicContact CZ3-CE2 4.15Å; S380-Y384 PolarHBondContact O-N 3.34Å; I381-Y384 PolarHBondContact O-N 2.97Å; A382-Y384 VanDerWaalsContact C-N 3.33Å; A382-Y384 PolarHBondContact O-N 3.04Å; Y384-S388 WeakPolarHBondContact CE2-OG 3.28Å; Y384-S388 WeakPolarHBondContact O-CB 3.25Å; Y384-S388 PolarHBondContact O-N 3.44Å; Y384-S388 PolarHBondContact O-OG 2.67Å; Y384-I544 HydrophobicContact CD1-CG2 4.47Å; Y384-I544 HydrophobicContact CE1-CB 4.46Å; Y384-I544 HydrophobicContact CE1-CG2 3.84Å; Y384-I544 HydrophobicContact CE2-CG2 4.1Å; Y384-I547 HydrophobicContact CD1-CB 4.28Å; Y384-I547 HydrophobicContact CD1-CD1 4.08Å; Y384-I547 HydrophobicContact CD1-CG2 3.97Å; Y384-I547 HydrophobicContact CE1-CB 4.05Å; Y384-I547 HydrophobicContact CE1-CG2 3.83Å; Y384-S548 PolarHBondContact OH-OG 3.41Å |
| 385 | V | 86.7 | Confident | 81.7 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -50.3 | 176.1 | 163.5 | 0 | 0 | 0 | 0 | 110.5 | I381 A382 E383 S388 E389 I547 P607 V608 I611 | I381-V385 HydrophobicContact CG2-CG2 4.37Å; I381-V385 WeakPolarHBondContact O-CG2 3.37Å; I381-V385 PolarHBondContact O-N 3.14Å; A382-V385 PolarHBondContact O-N 3.12Å; E383-V385 VanDerWaalsContact C-N 3.34Å; E383-V385 PolarHBondContact O-N 3.3Å; V385-S388 PolarHBondContact O-N 3Å; V385-E389 PolarHBondContact O-N 3.19Å; V385-I547 HydrophobicContact CG2-CD1 4.45Å; V385-I547 HydrophobicContact CG2-CG2 3.78Å; V385-P607 WeakPolarHBondContact CG1-O 3.47Å; V385-V608 HydrophobicContact CG2-CG1 4.06Å; V385-I611 HydrophobicContact CB-CD1 4.4Å; V385-I611 HydrophobicContact CG1-CD1 3.53Å; V385-I611 HydrophobicContact CG2-CD1 4.09Å |
| 386 | V | 82.2 | Confident | 81.8 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | -179.5 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | A382 E383 S388 E389 | A382-V386 WeakPolarHBondContact O-CG2 3.49Å; A382-V386 PolarHBondContact O-N 2.89Å; E383-V386 PolarHBondContact O-N 3.21Å; V386-S388 VanDerWaalsContact C-N 3.26Å; V386-S388 PolarHBondContact O-N 2.95Å; V386-E389 PolarHBondContact O-N 2.85Å |
| 387 | D | 81.5 | Confident | 82 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.7 | -19 | -179.9 | -74 | -14.7 | 0 | 0 | 0 | 113.6 | W377 E383 E389 | W377-D387 HydrophobicContact CZ2-CB 3.76Å; W377-D387 PolarHBondContact NE1-OD2 3.02Å; E383-D387 WeakPolarHBondContact O-CB 3.1Å; E383-D387 PolarHBondContact O-N 3.15Å; D387-E389 VanDerWaalsContact C-N 3.34Å |
| 388 | S | 76.9 | Confident | 82 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -80.9 | -16.4 | 176.3 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | Y384 V385 V386 | Y384-S388 WeakPolarHBondContact CE2-OG 3.28Å; Y384-S388 WeakPolarHBondContact O-CB 3.25Å; Y384-S388 PolarHBondContact O-N 3.44Å; Y384-S388 PolarHBondContact O-OG 2.67Å; V385-S388 PolarHBondContact O-N 3Å; V386-S388 VanDerWaalsContact C-N 3.26Å; V386-S388 PolarHBondContact O-N 2.95Å |
| 389 | E | 69.4 | Low | 82.1 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 29% | 0.29 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -91.4 | 113.2 | 174.1 | -67.6 | -175.8 | 176.6 | 0 | 0 | 109.2 | V385 V386 D387 I391 L392 H551 | V385-E389 PolarHBondContact O-N 3.19Å; V386-E389 PolarHBondContact O-N 2.85Å; D387-E389 VanDerWaalsContact C-N 3.34Å; E389-I391 PolarHBondContact O-N 3.48Å; E389-L392 PolarHBondContact O-N 2.91Å; E389-H551 IonicContact OE1-CE1 3.95Å |
| 390 | E | 61.1 | Low | 82.4 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21.9 | -173.6 | -64.1 | -166 | 137.8 | 0 | 0 | 113.7 | K405 N453 | E390-K405 IonicContact OE1-NZ 2.78Å; E390-K405 PolarHBondContact OE1-NZ 2.94Å; E390-K405 IonicContact OE2-NZ 3.56Å; E390-K405 PolarHBondContact OE2-NZ 3.27Å; E390-N453 PolarHBondContact OE1-OD1 3.07Å |
| 391 | I | 62.2 | Low | 82.5 | Confident | 151 Ų | 151 | 49.9 Ų | 49.9 | 77% | 0.774 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -35.7 | -169.9 | -56.6 | 171.4 | 0 | 0 | 0 | 112.2 | E389 | E389-I391 PolarHBondContact O-N 3.48Š|
| 392 | L | 61.7 | Low | 82.7 | Confident | 116 Ų | 116 | 51.7 Ų | 51.7 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -15.4 | -171.3 | -65.4 | 172.3 | 0 | 0 | 0 | 113.6 | E389 | E389-L392 PolarHBondContact O-N 2.91Š|
| 393 | G | 68.2 | Low | 82.9 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | trans | -80.4 | 131.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L398 | G393-L398 VanDerWaalsContact C-CD1 3.45Å; G393-L398 VanDerWaalsContact O-CD1 3.25Å; G393-L398 WeakPolarHBondContact O-CD1 3.25Å | ||
| 394 | Y | 81.1 | Confident | 83.3 | Confident | 164 Ų | 164 | 45.4 Ų | 45.4 | 64% | 0.643 | 24% | 0.235 | S | C | * | . | trans | -122.1 | 105.9 | 169.1 | -169.8 | -96.7 | 0 | 0 | 0 | 110.5 | Y334 V399 | Y334-Y394 HydrophobicContact CD1-CE1 4.19Å; Y334-Y394 HydrophobicContact CD2-CE1 4.13Å; Y334-Y394 HydrophobicContact CE1-CD1 4.49Å; Y334-Y394 AromaticContact CE1-CE1 3.82Å; Y334-Y394 HydrophobicContact CE1-CE1 3.82Å; Y334-Y394 AromaticContact CE2-CE1 3.79Å; Y334-Y394 HydrophobicContact CE2-CE1 3.79Å; Y334-Y394 HydrophobicContact CG-CE1 4.37Å; Y334-Y394 AromaticContact CZ-CE1 3.64Å; Y394-V399 HydrophobicContact CD2-CG2 3.91Å; Y394-V399 HydrophobicContact CE2-CG2 3.5Å | ||
| 395 | S | 88.7 | Confident | 83.5 | Confident | 42 Ų | 42 | 46 Ų | 46 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -147.6 | 162 | 177.9 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | Y334 R397 L398 V399 | Y334-S395 WeakPolarHBondContact OH-CA 3.3Å; S395-R397 PolarHBondContact O-N 3.4Å; S395-R397 VanDerWaalsContact O-N 3.11Å; S395-L398 PolarHBondContact O-N 2.97Å; S395-L398 PolarHBondContact OG-N 3.48Å; S395-V399 WeakPolarHBondContact O-CG2 3.28Å; S395-V399 PolarHBondContact O-N 2.95Å |
| 396 | V | 92.3 | Very high | 83.7 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -50.2 | -39.3 | 173.4 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | Y303 D330 V333 Y334 T400 | Y303-V396 HydrophobicContact CE1-CG1 4.42Å; Y303-V396 HydrophobicContact CE2-CG1 4.49Å; Y303-V396 HydrophobicContact CE2-CG2 4.31Å; D330-V396 HydrophobicContact CB-CG2 3.99Å; V333-V396 HydrophobicContact CB-CG1 4.45Å; V333-V396 HydrophobicContact CB-CG2 4.06Å; V333-V396 HydrophobicContact CG1-CG1 3.63Å; V333-V396 HydrophobicContact CG1-CG2 4.12Å; V333-V396 HydrophobicContact CG2-CG2 4.5Å; Y334-V396 HydrophobicContact CE1-CB 4.46Å; Y334-V396 HydrophobicContact CE1-CG2 3.84Å; Y334-V396 PolarHBondContact OH-N 3Å; Y334-V396 VanDerWaalsContact OH-N 3.16Å; V396-T400 WeakPolarHBondContact O-CB 3.38Å; V396-T400 PolarHBondContact O-N 2.94Å; V396-T400 PolarHBondContact O-OG1 2.93Å |
| 397 | R | 92.4 | Very high | 84.2 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 178.2 | 176.5 | 173 | 179.2 | 115.9 | -19.3 | 112.6 | V367 S395 M401 E445 F449 | V367-R397 HydrophobicContact CG1-CG 4.02Å; V367-R397 WeakPolarHBondContact O-CD 3.24Å; V367-R397 WeakPolarHBondContact O-CG 3.25Å; V367-R397 PolarHBondContact O-NH1 3.37Å; S395-R397 PolarHBondContact O-N 3.4Å; S395-R397 VanDerWaalsContact O-N 3.11Å; R397-M401 WeakPolarHBondContact O-CB 3.1Å; R397-M401 PolarHBondContact O-N 3.11Å; R397-E445 IonicContact CZ-OE1 2.61Å; R397-E445 IonicContact CZ-OE2 3.65Å; R397-E445 IonicContact NH1-OE1 3.53Å; R397-E445 IonicContact NH1-OE2 3.76Å; R397-E445 PolarHBondContact NH1-OE2 3.26Å; R397-E445 IonicContact NH2-OE1 3.5Å; R397-E445 PolarHBondContact NH2-OE1 2.95Å; R397-E445 IonicContact NH2-OE2 3.21Å; R397-E445 PolarHBondContact NH2-OE2 2.99Å; R397-F449 HydrophobicContact CG-CE1 4.12Å; R397-F449 HydrophobicContact CG-CZ 4.48Å |
| 398 | L | 91 | Very high | 84.7 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.6 | -46 | -176.4 | -63.8 | 173.6 | 0 | 0 | 0 | 111.4 | G393 S395 T400 M401 D402 F449 | G393-L398 VanDerWaalsContact C-CD1 3.45Å; G393-L398 VanDerWaalsContact O-CD1 3.25Å; G393-L398 WeakPolarHBondContact O-CD1 3.25Å; S395-L398 PolarHBondContact O-N 2.97Å; S395-L398 PolarHBondContact OG-N 3.48Å; L398-T400 VanDerWaalsContact C-N 3.26Å; L398-T400 PolarHBondContact O-N 2.98Å; L398-M401 CarbonylContact O-C 3.38Å; L398-M401 WeakPolarHBondContact O-CA 3.26Å; L398-M401 WeakPolarHBondContact O-CB 3.25Å; L398-M401 PolarHBondContact O-N 3.22Å; L398-D402 PolarHBondContact O-N 3.43Å; L398-F449 HydrophobicContact CD2-CZ 4.25Å |
| 399 | V | 92.8 | Very high | 85.3 | Confident | 24 Ų | 24 | 46 Ų | 46 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | 176.1 | 180 | 0 | 0 | 0 | 0 | 111.5 | Y334 L337 Y394 S395 L403 | Y334-V399 HydrophobicContact CD1-CG2 4.24Å; Y334-V399 HydrophobicContact CE1-CB 4.46Å; Y334-V399 HydrophobicContact CE1-CG2 4Å; L337-V399 HydrophobicContact CB-CG1 4.08Å; L337-V399 HydrophobicContact CD1-CB 4.16Å; L337-V399 HydrophobicContact CD1-CG1 3.88Å; Y394-V399 HydrophobicContact CD2-CG2 3.91Å; Y394-V399 HydrophobicContact CE2-CG2 3.5Å; S395-V399 WeakPolarHBondContact O-CG2 3.28Å; S395-V399 PolarHBondContact O-N 2.95Å; V399-L403 PolarHBondContact O-N 3.05Å; V399-L403 VanDerWaalsContact O-N 3.15Å |
| 400 | T | 95.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | L337 L363 L366 V367 V396 L398 L403 I404 | L337-T400 WeakPolarHBondContact CD1-OG1 3.33Å; L363-T400 HydrophobicContact CB-CG2 4.11Å; L363-T400 HydrophobicContact CD2-CG2 4.23Å; L363-T400 WeakPolarHBondContact O-CG2 3.42Å; L366-T400 HydrophobicContact CB-CG2 4.07Å; V367-T400 HydrophobicContact CG2-CG2 3.67Å; V396-T400 WeakPolarHBondContact O-CB 3.38Å; V396-T400 PolarHBondContact O-N 2.94Å; V396-T400 PolarHBondContact O-OG1 2.93Å; L398-T400 VanDerWaalsContact C-N 3.26Å; L398-T400 PolarHBondContact O-N 2.98Å; T400-L403 PolarHBondContact O-N 3.42Å; T400-I404 HydrophobicContact CG2-CD1 4.03Å; T400-I404 WeakPolarHBondContact O-CG1 3.31Å; T400-I404 PolarHBondContact O-N 2.86Å |
| 401 | M | 94.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.9 | -170.9 | 64.6 | -134.6 | 0 | 0 | 111.5 | R397 L398 L403 I404 K405 F449 I450 N453 L454 | R397-M401 WeakPolarHBondContact O-CB 3.1Å; R397-M401 PolarHBondContact O-N 3.11Å; L398-M401 CarbonylContact O-C 3.38Å; L398-M401 WeakPolarHBondContact O-CA 3.26Å; L398-M401 WeakPolarHBondContact O-CB 3.25Å; L398-M401 PolarHBondContact O-N 3.22Å; M401-L403 VanDerWaalsContact C-N 3.33Å; M401-L403 PolarHBondContact O-N 3.5Å; M401-I404 HydrophobicContact CE-CB 4.45Å; M401-I404 HydrophobicContact CE-CG2 4.07Å; M401-I404 CarbonylContact O-C 3.56Å; M401-I404 WeakPolarHBondContact O-CB 3.42Å; M401-I404 PolarHBondContact O-N 3.25Å; M401-I404 VanDerWaalsContact O-N 3.14Å; M401-K405 HydrophobicContact CE-CG 3.8Å; M401-K405 WeakPolarHBondContact O-CG 3.24Å; M401-K405 PolarHBondContact O-N 3.34Å; M401-F449 HydrophobicContact CB-CE1 4.23Å; M401-F449 HydrophobicContact CG-CE1 4.02Å; M401-F449 HydrophobicContact SD-CD1 4.22Å; M401-F449 HydrophobicContact SD-CE1 4.08Å; M401-I450 HydrophobicContact CE-CG2 4.34Å; M401-I450 HydrophobicContact SD-CB 4.37Å; M401-I450 HydrophobicContact SD-CG1 4.06Å; M401-I450 HydrophobicContact SD-CG2 4.48Å; M401-N453 HydrophobicContact CE-CB 3.69Å; M401-N453 HydrophobicContact CG-CB 4.21Å; M401-N453 HydrophobicContact SD-CB 4.01Å; M401-L454 HydrophobicContact CE-CD2 3.87Å; M401-L454 HydrophobicContact CE-CG 3.8Å |
| 402 | D | 92.1 | Very high | 88.3 | Confident | 88 Ų | 88 | 44.3 Ų | 44.3 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.8 | -66 | -24.3 | 0 | 0 | 0 | 111.8 | L398 I404 K405 K406 | L398-D402 PolarHBondContact O-N 3.43Å; D402-I404 VanDerWaalsContact C-N 3.35Å; D402-I404 PolarHBondContact O-N 3.44Å; D402-K405 PolarHBondContact O-N 3.34Å; D402-K406 WeakPolarHBondContact O-CB 3.25Å; D402-K406 PolarHBondContact O-N 3.06Å |
| 403 | L | 94.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 172.6 | -176.8 | 54.9 | 0 | 0 | 0 | 111.9 | L337 L340 T341 I344 L363 V399 T400 M401 K406 I407 | L337-L403 HydrophobicContact CD2-CD2 4.02Å; L340-L403 HydrophobicContact CB-CD2 3.65Å; L340-L403 HydrophobicContact CD1-CD2 4.09Å; T341-L403 WeakPolarHBondContact OG1-CD1 3.25Å; I344-L403 HydrophobicContact CD1-CD1 3.43Å; I344-L403 VanDerWaalsContact CD1-CD1 3.43Å; I344-L403 HydrophobicContact CD1-CG 4.25Å; L363-L403 HydrophobicContact CD1-CD2 3.82Å; L363-L403 HydrophobicContact CD1-CG 4.07Å; L363-L403 HydrophobicContact CD2-CD2 3.9Å; V399-L403 PolarHBondContact O-N 3.05Å; V399-L403 VanDerWaalsContact O-N 3.15Å; T400-L403 PolarHBondContact O-N 3.42Å; M401-L403 VanDerWaalsContact C-N 3.33Å; M401-L403 PolarHBondContact O-N 3.5Å; L403-K406 PolarHBondContact O-N 3.2Å; L403-I407 HydrophobicContact CG-CD1 4.26Å; L403-I407 VanDerWaalsContact O-CG1 3.3Å; L403-I407 WeakPolarHBondContact O-CG1 3.36Å; L403-I407 PolarHBondContact O-N 2.71Å |
| 404 | I | 95.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 175.1 | -72.3 | 166.9 | 0 | 0 | 0 | 111 | L363 V367 T400 M401 D402 K406 I407 A408 I418 I450 L454 | L363-I404 HydrophobicContact CB-CD1 4.35Å; L363-I404 HydrophobicContact CB-CG1 4.22Å; V367-I404 HydrophobicContact CG2-CD1 3.78Å; T400-I404 HydrophobicContact CG2-CD1 4.03Å; T400-I404 WeakPolarHBondContact O-CG1 3.31Å; T400-I404 PolarHBondContact O-N 2.86Å; M401-I404 HydrophobicContact CE-CB 4.45Å; M401-I404 HydrophobicContact CE-CG2 4.07Å; M401-I404 CarbonylContact O-C 3.56Å; M401-I404 WeakPolarHBondContact O-CB 3.42Å; M401-I404 PolarHBondContact O-N 3.25Å; M401-I404 VanDerWaalsContact O-N 3.14Å; D402-I404 VanDerWaalsContact C-N 3.35Å; D402-I404 PolarHBondContact O-N 3.44Å; I404-K406 VanDerWaalsContact C-N 3.32Å; I404-K406 PolarHBondContact O-N 2.95Å; I404-I407 PolarHBondContact O-N 2.6Å; I404-A408 WeakPolarHBondContact O-CB 3.3Å; I404-A408 PolarHBondContact O-N 2.78Å; I404-I418 HydrophobicContact CB-CD1 4.5Å; I404-I418 HydrophobicContact CG1-CD1 4.38Å; I404-I418 HydrophobicContact CG2-CD1 3.74Å; I404-I418 HydrophobicContact CG2-CG1 4.14Å; I404-I418 HydrophobicContact CG2-CG2 4.34Å; I404-I450 HydrophobicContact CD1-CD1 4.09Å; I404-I450 HydrophobicContact CD1-CG1 4.27Å; I404-I450 HydrophobicContact CG2-CG2 4Å; I404-L454 HydrophobicContact CG2-CD1 4.13Å; I404-L454 HydrophobicContact CG2-CD2 4.28Å |
| 405 | K | 93 | Very high | 90.9 | Very high | 25 Ų | 25 | 34.2 Ų | 34.2 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.4 | -47.5 | 173.6 | -71.3 | 174.4 | -174.8 | 172.4 | 0 | 110.2 | E390 M401 D402 I407 A408 C409 L454 N457 | E390-K405 IonicContact OE1-NZ 2.78Å; E390-K405 PolarHBondContact OE1-NZ 2.94Å; E390-K405 IonicContact OE2-NZ 3.56Å; E390-K405 PolarHBondContact OE2-NZ 3.27Å; M401-K405 HydrophobicContact CE-CG 3.8Å; M401-K405 WeakPolarHBondContact O-CG 3.24Å; M401-K405 PolarHBondContact O-N 3.34Å; D402-K405 PolarHBondContact O-N 3.34Å; K405-I407 PolarHBondContact O-N 3.22Å; K405-A408 PolarHBondContact O-N 3Å; K405-A408 VanDerWaalsContact O-N 3.15Å; K405-C409 PolarHBondContact O-N 3.17Å; K405-L454 HydrophobicContact CB-CD2 4.48Å; K405-L454 HydrophobicContact CG-CD2 4.02Å; K405-N457 WeakPolarHBondContact CE-ND2 3.41Å |
| 406 | K | 91.5 | Very high | 91 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 27% | 0.27 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.2 | -42 | 178.3 | -162.7 | 173.1 | -153.5 | 165.8 | 0 | 112.8 | T341 I344 S345 D402 L403 I404 K410 | T341-K406 HydrophobicContact CG2-CD 4.18Å; I344-K406 HydrophobicContact CG2-CG 4.34Å; S345-K406 WeakPolarHBondContact OG-CE 3.33Å; S345-K406 PolarHBondContact OG-NZ 3.17Å; D402-K406 WeakPolarHBondContact O-CB 3.25Å; D402-K406 PolarHBondContact O-N 3.06Å; L403-K406 PolarHBondContact O-N 3.2Å; I404-K406 VanDerWaalsContact C-N 3.32Å; I404-K406 PolarHBondContact O-N 2.95Å; K406-K410 HydrophobicContact CG-CD 3.94Å; K406-K410 HydrophobicContact CG-CG 4.17Å; K406-K410 WeakPolarHBondContact O-CB 3.34Å; K406-K410 PolarHBondContact O-N 2.72Å |
| 407 | I | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 173.6 | -71.7 | 167.6 | 0 | 0 | 0 | 110.3 | I344 L363 L403 I404 K405 C409 I411 I418 | I344-I407 HydrophobicContact CD1-CD1 3.56Å; I344-I407 HydrophobicContact CD1-CG1 3.31Å; I344-I407 HydrophobicContact CG1-CG1 4.36Å; I344-I407 HydrophobicContact CG2-CG1 4.45Å; L363-I407 HydrophobicContact CD1-CD1 3.54Å; L403-I407 HydrophobicContact CG-CD1 4.26Å; L403-I407 VanDerWaalsContact O-CG1 3.3Å; L403-I407 WeakPolarHBondContact O-CG1 3.36Å; L403-I407 PolarHBondContact O-N 2.71Å; I404-I407 PolarHBondContact O-N 2.6Å; K405-I407 PolarHBondContact O-N 3.22Å; I407-C409 PolarHBondContact O-N 3.09Å; I407-I411 HydrophobicContact CG2-CD1 4.2Å; I407-I411 WeakPolarHBondContact O-CB 3.3Å; I407-I411 PolarHBondContact O-N 3.01Å; I407-I418 HydrophobicContact CG2-CD1 4.5Å |
| 408 | A | 92.1 | Very high | 91.1 | Very high | 10 Ų | 10 | 36 Ų | 36 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I404 K405 L454 I459 | I404-A408 WeakPolarHBondContact O-CB 3.3Å; I404-A408 PolarHBondContact O-N 2.78Å; K405-A408 PolarHBondContact O-N 3Å; K405-A408 VanDerWaalsContact O-N 3.15Å; A408-L454 HydrophobicContact CB-CD2 3.94Å; A408-I459 HydrophobicContact CB-CD1 4.24Å; A408-I459 HydrophobicContact CB-CG2 4Å |
| 409 | C | 89.7 | Confident | 91.2 | Very high | 87 Ų | 87 | 35.3 Ų | 35.3 | 59% | 0.588 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -82.7 | -49.8 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 113.7 | K405 I407 I459 | K405-C409 PolarHBondContact O-N 3.17Å; I407-C409 PolarHBondContact O-N 3.09Å; C409-I459 WeakPolarHBondContact SG-CD1 3.37Å |
| 410 | K | 86.3 | Confident | 91.3 | Very high | 105 Ų | 105 | 34.8 Ų | 34.8 | 46% | 0.457 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -82 | -16.3 | -168 | -65.6 | -158.7 | 176.6 | -161.3 | 0 | 114.4 | R349 K406 | R349-K410 PolarHBondContact NH1-O 3.35Å; K406-K410 HydrophobicContact CG-CD 3.94Å; K406-K410 HydrophobicContact CG-CG 4.17Å; K406-K410 WeakPolarHBondContact O-CB 3.34Å; K406-K410 PolarHBondContact O-N 2.72Å |
| 411 | I | 86.1 | Confident | 91.2 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.046 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -107.8 | 129.5 | -178.1 | -56.8 | -175.1 | 0 | 0 | 0 | 109.6 | I344 R349 L356 I407 N413 G414 | I344-I411 HydrophobicContact CG2-CD1 4.44Å; R349-I411 HydrophobicContact CG-CD1 4.15Å; R349-I411 HydrophobicContact CG-CG1 3.97Å; L356-I411 HydrophobicContact CD1-CD1 3.81Å; L356-I411 HydrophobicContact CD1-CG2 3.7Å; L356-I411 HydrophobicContact CD2-CD1 3.71Å; L356-I411 HydrophobicContact CG-CD1 4.41Å; I407-I411 HydrophobicContact CG2-CD1 4.2Å; I407-I411 WeakPolarHBondContact O-CB 3.3Å; I407-I411 PolarHBondContact O-N 3.01Å; I411-N413 PolarHBondContact O-N 3.11Å; I411-G414 WeakPolarHBondContact O-CA 3.46Å; I411-G414 PolarHBondContact O-N 2.9Å |
| 412 | H | 83.7 | Confident | 91.3 | Very high | 142 Ų | 142 | 34.7 Ų | 34.7 | 66% | 0.657 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 125.6 | 170.8 | -176.3 | -77.6 | 0 | 0 | 0 | 110.4 | G414 | H412-G414 VanDerWaalsContact C-N 3.26Å; H412-G414 PolarHBondContact O-N 3.17Å |
| 413 | N | 85.5 | Confident | 91.5 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 33% | 0.332 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 15.9 | -170.2 | -56.8 | -32.6 | 0 | 0 | 0 | 115.7 | I411 A415 Q416 F417 | I411-N413 PolarHBondContact O-N 3.11Å; N413-A415 VanDerWaalsContact C-N 3.29Å; N413-A415 PolarHBondContact O-N 3.41Å; N413-Q416 HydrophobicContact CB-CB 4.39Å; N413-Q416 HydrophobicContact CB-CG 4.42Å; N413-Q416 WeakPolarHBondContact O-CB 3.43Å; N413-Q416 PolarHBondContact O-N 3.29Å; N413-F417 HydrophobicContact CB-CE2 4.49Å; N413-F417 VanDerWaalsContact O-CD2 3.31Å; N413-F417 WeakPolarHBondContact O-CD2 3.39Å; N413-F417 PolarHBondContact O-N 2.99Å |
| 414 | G | 88.8 | Confident | 91.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -52.5 | -45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | I411 H412 Q416 F417 I418 | I411-G414 WeakPolarHBondContact O-CA 3.46Å; I411-G414 PolarHBondContact O-N 2.9Å; H412-G414 VanDerWaalsContact C-N 3.26Å; H412-G414 PolarHBondContact O-N 3.17Å; G414-Q416 VanDerWaalsContact C-N 3.26Å; G414-Q416 PolarHBondContact O-N 3.02Å; G414-F417 PolarHBondContact O-N 3.24Å; G414-I418 PolarHBondContact O-N 3.09Å |
| 415 | A | 90.7 | Very high | 91.5 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -33.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | N413 I418 N419 I459 I461 | N413-A415 VanDerWaalsContact C-N 3.29Å; N413-A415 PolarHBondContact O-N 3.41Å; A415-I418 PolarHBondContact O-N 3.5Å; A415-N419 PolarHBondContact O-N 3.46Å; A415-I459 HydrophobicContact CB-CG2 4.1Å; A415-I461 HydrophobicContact CB-CG2 4.13Å |
| 416 | Q | 90.4 | Very high | 91.6 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 23% | 0.234 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.4 | -36.5 | 179.1 | -63.9 | 174.5 | 0.9 | 0 | 0 | 112 | N413 G414 I418 N419 C420 F481 | N413-Q416 HydrophobicContact CB-CB 4.39Å; N413-Q416 HydrophobicContact CB-CG 4.42Å; N413-Q416 WeakPolarHBondContact O-CB 3.43Å; N413-Q416 PolarHBondContact O-N 3.29Å; G414-Q416 VanDerWaalsContact C-N 3.26Å; G414-Q416 PolarHBondContact O-N 3.02Å; Q416-I418 VanDerWaalsContact C-N 3.32Å; Q416-N419 PolarHBondContact O-N 3.41Å; Q416-C420 PolarHBondContact O-N 3.4Å; Q416-F481 HydrophobicContact CB-CE1 4Å |
| 417 | F | 92 | Very high | 91.7 | Very high | 50 Ų | 50 | 33.8 Ų | 33.8 | 22% | 0.219 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 173.2 | -71.2 | -73.3 | 0 | 0 | 0 | 111.1 | L356 D357 C360 N413 G414 C420 A421 | L356-F417 HydrophobicContact CB-CD1 3.91Å; L356-F417 HydrophobicContact CB-CD2 4.1Å; L356-F417 HydrophobicContact CB-CE1 4.09Å; L356-F417 HydrophobicContact CB-CE2 4.27Å; L356-F417 HydrophobicContact CB-CG 3.92Å; L356-F417 HydrophobicContact CB-CZ 4.26Å; L356-F417 HydrophobicContact CD1-CD2 3.91Å; L356-F417 HydrophobicContact CD1-CE2 3.79Å; L356-F417 HydrophobicContact CD1-CZ 4.33Å; D357-F417 HydrophobicContact CB-CD1 4.29Å; D357-F417 HydrophobicContact CB-CE1 4.49Å; C360-F417 HydrophobicContact CB-CB 4.46Å; N413-F417 HydrophobicContact CB-CE2 4.49Å; N413-F417 VanDerWaalsContact O-CD2 3.31Å; N413-F417 WeakPolarHBondContact O-CD2 3.39Å; N413-F417 PolarHBondContact O-N 2.99Å; G414-F417 PolarHBondContact O-N 3.24Å; F417-C420 PolarHBondContact O-N 3.04Å; F417-A421 WeakPolarHBondContact O-CB 3.37Å; F417-A421 PolarHBondContact O-N 2.77Å |
| 418 | I | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 174.1 | -58.1 | -60.2 | 0 | 0 | 0 | 111.3 | C360 I404 I407 G414 A415 Q416 C420 A421 I422 I450 L454 | C360-I418 HydrophobicContact CB-CD1 3.88Å; C360-I418 VanDerWaalsContact SG-CD1 3.58Å; I404-I418 HydrophobicContact CB-CD1 4.5Å; I404-I418 HydrophobicContact CG1-CD1 4.38Å; I404-I418 HydrophobicContact CG2-CD1 3.74Å; I404-I418 HydrophobicContact CG2-CG1 4.14Å; I404-I418 HydrophobicContact CG2-CG2 4.34Å; I407-I418 HydrophobicContact CG2-CD1 4.5Å; G414-I418 PolarHBondContact O-N 3.09Å; A415-I418 PolarHBondContact O-N 3.5Å; Q416-I418 VanDerWaalsContact C-N 3.32Å; I418-C420 PolarHBondContact O-N 3.38Å; I418-A421 WeakPolarHBondContact O-CB 3.5Å; I418-A421 PolarHBondContact O-N 3.3Å; I418-I422 HydrophobicContact CG2-CD1 3.92Å; I418-I422 HydrophobicContact CG2-CG1 4.28Å; I418-I422 WeakPolarHBondContact O-CG1 3.45Å; I418-I422 PolarHBondContact O-N 3.17Å; I418-I450 HydrophobicContact CG2-CG2 3.91Å; I418-L454 HydrophobicContact CB-CD1 4.46Å; I418-L454 HydrophobicContact CG2-CD1 3.74Å |
| 419 | N | 94.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -46.6 | 175.8 | -176.2 | -68.4 | 0 | 0 | 0 | 112.4 | A415 Q416 A421 I422 N423 I461 F481 I482 | A415-N419 PolarHBondContact O-N 3.46Å; Q416-N419 PolarHBondContact O-N 3.41Å; N419-A421 PolarHBondContact O-N 3.01Å; N419-I422 PolarHBondContact O-N 3.46Å; N419-N423 PolarHBondContact O-N 3.43Å; N419-I461 HydrophobicContact CB-CB 4.42Å; N419-I461 WeakPolarHBondContact CB-O 3.34Å; N419-I461 PolarHBondContact ND2-O 2.59Å; N419-F481 HydrophobicContact CB-CD1 4.44Å; N419-F481 VanDerWaalsContact OD1-CA 3.29Å; N419-F481 WeakPolarHBondContact OD1-CA 3.27Å; N419-I482 PolarHBondContact ND2-O 2.93Å; N419-I482 PolarHBondContact OD1-N 3.11Å |
| 420 | C | 93.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 8% | 0.081 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | D357 Q416 F417 I418 N423 K424 C480 F481 | D357-C420 PolarHBondContact OD1-SG 2.7Å; D357-C420 VanDerWaalsContact OD1-SG 3.41Å; Q416-C420 PolarHBondContact O-N 3.4Å; F417-C420 PolarHBondContact O-N 3.04Å; I418-C420 PolarHBondContact O-N 3.38Å; C420-N423 PolarHBondContact O-N 3.45Å; C420-K424 WeakPolarHBondContact O-CG 3.42Å; C420-K424 PolarHBondContact O-N 2.92Å; C420-K424 VanDerWaalsContact O-N 3.08Å; C420-C480 HydrophobicContact CB-CB 4.02Å; C420-C480 WeakPolarHBondContact CB-SG 3.47Å; C420-C480 WeakPolarHBondContact SG-CB 3.34Å; C420-C480 CovalentContact SG-SG 2.05Å; C420-C480 PolarHBondContact SG-SG 2.9Å; C420-F481 HydrophobicContact CB-CD1 4.39Å; C420-F481 HydrophobicContact CB-CE1 4.35Å |
| 421 | A | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C360 F417 I418 N419 K424 M425 | C360-A421 HydrophobicContact CB-CB 3.91Å; F417-A421 WeakPolarHBondContact O-CB 3.37Å; F417-A421 PolarHBondContact O-N 2.77Å; I418-A421 WeakPolarHBondContact O-CB 3.5Å; I418-A421 PolarHBondContact O-N 3.3Å; N419-A421 PolarHBondContact O-N 3.01Å; A421-K424 WeakPolarHBondContact O-CB 3.25Å; A421-K424 PolarHBondContact O-N 3.48Å; A421-M425 WeakPolarHBondContact O-CG 3.48Å; A421-M425 PolarHBondContact O-N 3.45Å |
| 422 | I | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.2 | -71.6 | 176.2 | 0 | 0 | 0 | 110.8 | I418 N419 K424 M425 L426 I450 S451 I461 | I418-I422 HydrophobicContact CG2-CD1 3.92Å; I418-I422 HydrophobicContact CG2-CG1 4.28Å; I418-I422 WeakPolarHBondContact O-CG1 3.45Å; I418-I422 PolarHBondContact O-N 3.17Å; N419-I422 PolarHBondContact O-N 3.46Å; I422-K424 VanDerWaalsContact C-N 3.31Å; I422-K424 PolarHBondContact O-N 2.85Å; I422-M425 WeakPolarHBondContact O-CB 3.39Å; I422-M425 PolarHBondContact O-N 3.11Å; I422-M425 VanDerWaalsContact O-N 3.1Å; I422-L426 HydrophobicContact CG2-CD1 3.85Å; I422-L426 HydrophobicContact CG2-CG 4.22Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.42Å; I422-L426 PolarHBondContact O-N 3.01Å; I422-I450 HydrophobicContact CD1-CB 4.31Å; I422-I450 HydrophobicContact CD1-CG2 3.93Å; I422-S451 WeakPolarHBondContact CD1-OG 3.28Å; I422-I461 HydrophobicContact CD1-CD1 3.61Å |
| 423 | N | 95.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | 177.8 | -169.8 | 32.1 | 0 | 0 | 0 | 112 | N419 C420 M425 L426 I427 C480 I482 | N419-N423 PolarHBondContact O-N 3.43Å; C420-N423 PolarHBondContact O-N 3.45Å; N423-M425 PolarHBondContact O-N 2.73Å; N423-L426 PolarHBondContact O-N 2.87Å; N423-I427 WeakPolarHBondContact O-CG1 3.47Å; N423-I427 PolarHBondContact O-N 3.12Å; N423-I427 VanDerWaalsContact O-N 3.1Å; N423-C480 WeakPolarHBondContact CB-O 3.34Å; N423-C480 PolarHBondContact ND2-O 2.97Å; N423-I482 HydrophobicContact CB-CB 4Å; N423-I482 HydrophobicContact CB-CG2 4.2Å |
| 424 | K | 94.7 | Very high | 93.9 | Very high | 58 Ų | 58 | 35.8 Ų | 35.8 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 174 | -70.7 | 169.5 | 178.3 | 171.9 | 0 | 112 | D357 Y361 C420 A421 I422 L428 | D357-K424 IonicContact OD1-NZ 2.73Å; D357-K424 PolarHBondContact OD1-NZ 3.28Å; D357-K424 IonicContact OD2-NZ 2.73Å; D357-K424 PolarHBondContact OD2-NZ 3.31Å; Y361-K424 HydrophobicContact CD2-CB 3.6Å; Y361-K424 HydrophobicContact CD2-CD 3.97Å; Y361-K424 HydrophobicContact CD2-CG 4.46Å; Y361-K424 HydrophobicContact CE2-CB 3.53Å; Y361-K424 HydrophobicContact CE2-CD 4.48Å; Y361-K424 HydrophobicContact CG-CD 4.26Å; C420-K424 WeakPolarHBondContact O-CG 3.42Å; C420-K424 PolarHBondContact O-N 2.92Å; C420-K424 VanDerWaalsContact O-N 3.08Å; A421-K424 WeakPolarHBondContact O-CB 3.25Å; A421-K424 PolarHBondContact O-N 3.48Å; I422-K424 VanDerWaalsContact C-N 3.31Å; I422-K424 PolarHBondContact O-N 2.85Å; K424-L428 PolarHBondContact O-N 3.3Å |
| 425 | M | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 177.3 | -75.3 | 179.8 | 67.8 | 0 | 0 | 113.1 | Y361 C364 Q365 A421 I422 N423 L428 S429 L443 A446 | Y361-M425 HydrophobicContact CD2-CG 4.27Å; Y361-M425 HydrophobicContact CE2-CG 4.05Å; C364-M425 HydrophobicContact CB-CE 4.4Å; C364-M425 HydrophobicContact CB-SD 3.18Å; C364-M425 WeakPolarHBondContact CB-SD 3.28Å; C364-M425 WeakPolarHBondContact O-CE 3.43Å; Q365-M425 HydrophobicContact CG-CE 4.43Å; Q365-M425 HydrophobicContact CG-CG 4.21Å; Q365-M425 HydrophobicContact CG-SD 4.39Å; A421-M425 WeakPolarHBondContact O-CG 3.48Å; A421-M425 PolarHBondContact O-N 3.45Å; I422-M425 WeakPolarHBondContact O-CB 3.39Å; I422-M425 PolarHBondContact O-N 3.11Å; I422-M425 VanDerWaalsContact O-N 3.1Å; N423-M425 PolarHBondContact O-N 2.73Å; M425-L428 PolarHBondContact O-N 3.28Å; M425-S429 WeakPolarHBondContact O-CB 3.43Å; M425-S429 PolarHBondContact O-N 2.84Å; M425-L443 HydrophobicContact CE-CB 4.46Å; M425-L443 HydrophobicContact CE-CD2 3.68Å; M425-A446 HydrophobicContact CE-CB 3.86Å |
| 426 | L | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 178.2 | -68.1 | 173 | 0 | 0 | 0 | 111.2 | I422 N423 L428 S429 E430 L444 I482 F487 Y491 | I422-L426 HydrophobicContact CG2-CD1 3.85Å; I422-L426 HydrophobicContact CG2-CG 4.22Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.42Å; I422-L426 PolarHBondContact O-N 3.01Å; N423-L426 PolarHBondContact O-N 2.87Å; L426-L428 VanDerWaalsContact C-N 3.32Å; L426-L428 PolarHBondContact O-N 3.44Å; L426-S429 WeakPolarHBondContact O-CB 3.46Å; L426-S429 PolarHBondContact O-N 2.62Å; L426-E430 PolarHBondContact O-N 3.23Å; L426-L444 HydrophobicContact CD2-CD1 3.52Å; L426-I482 HydrophobicContact CD1-CD1 3.5Å; L426-F487 HydrophobicContact CD1-CD2 4.06Å; L426-F487 HydrophobicContact CD1-CE2 4.41Å; L426-Y491 HydrophobicContact CB-CD1 4.34Å; L426-Y491 HydrophobicContact CB-CE1 3.85Å; L426-Y491 HydrophobicContact CB-CE2 4.4Å; L426-Y491 HydrophobicContact CD1-CD1 4.39Å; L426-Y491 HydrophobicContact CD1-CD2 3.85Å; L426-Y491 HydrophobicContact CD1-CE1 4.46Å; L426-Y491 HydrophobicContact CD1-CE2 3.89Å; L426-Y491 HydrophobicContact CD1-CG 4.07Å; L426-Y491 HydrophobicContact CD2-CD1 3.72Å; L426-Y491 HydrophobicContact CD2-CE1 4.12Å; L426-Y491 HydrophobicContact CD2-CG 3.94Å; L426-Y491 HydrophobicContact CG-CD1 4.36Å; L426-Y491 HydrophobicContact CG-CE1 4.35Å; L426-Y491 HydrophobicContact CG-CG 4.49Å |
| 427 | I | 94.9 | Very high | 94.1 | Very high | 76 Ų | 76 | 43.5 Ų | 43.5 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 173.9 | -65.1 | 165.6 | 0 | 0 | 0 | 111 | N423 E430 N431 | N423-I427 WeakPolarHBondContact O-CG1 3.47Å; N423-I427 PolarHBondContact O-N 3.12Å; N423-I427 VanDerWaalsContact O-N 3.1Å; I427-E430 PolarHBondContact O-N 2.63Å; I427-N431 VanDerWaalsContact O-CG 3.3Å; I427-N431 PolarHBondContact O-N 2.95Å; I427-N431 VanDerWaalsContact O-N 3.08Å; I427-N431 PolarHBondContact O-ND2 2.91Å |
| 428 | L | 94.1 | Very high | 94 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 176 | -179 | 62.8 | 0 | 0 | 0 | 111.9 | Y361 K424 M425 L426 E430 N431 L432 L443 | Y361-L428 WeakPolarHBondContact OH-CD2 3.21Å; K424-L428 PolarHBondContact O-N 3.3Å; M425-L428 PolarHBondContact O-N 3.28Å; L426-L428 VanDerWaalsContact C-N 3.32Å; L426-L428 PolarHBondContact O-N 3.44Å; L428-E430 VanDerWaalsContact C-N 3.34Å; L428-E430 PolarHBondContact O-N 3.32Å; L428-N431 PolarHBondContact O-N 3.44Å; L428-L432 HydrophobicContact CD1-CG 4.48Å; L428-L432 HydrophobicContact CG-CD1 4.4Å; L428-L432 WeakPolarHBondContact O-CG 3.32Å; L428-L432 PolarHBondContact O-N 3.43Å; L428-L443 HydrophobicContact CB-CD1 4.15Å; L428-L443 HydrophobicContact CD2-CD1 3.67Å; L428-L443 HydrophobicContact CG-CD1 3.69Å |
| 429 | S | 94.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | M425 L426 N431 L432 H433 W440 | M425-S429 WeakPolarHBondContact O-CB 3.43Å; M425-S429 PolarHBondContact O-N 2.84Å; L426-S429 WeakPolarHBondContact O-CB 3.46Å; L426-S429 PolarHBondContact O-N 2.62Å; S429-N431 PolarHBondContact O-N 3.32Å; S429-L432 PolarHBondContact O-N 2.96Å; S429-H433 WeakPolarHBondContact O-CB 3.36Å; S429-H433 PolarHBondContact O-N 3.17Å; S429-W440 PolarHBondContact OG-O 3.18Å |
| 430 | E | 94.6 | Very high | 93.8 | Very high | 83 Ų | 83 | 51 Ų | 51 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 174.3 | -71.6 | 178.7 | -174.3 | 0 | 0 | 112.5 | L426 I427 L428 H433 N434 Y491 | L426-E430 PolarHBondContact O-N 3.23Å; I427-E430 PolarHBondContact O-N 2.63Å; L428-E430 VanDerWaalsContact C-N 3.34Å; L428-E430 PolarHBondContact O-N 3.32Å; E430-H433 WeakPolarHBondContact O-CB 3.36Å; E430-H433 PolarHBondContact O-N 3.01Å; E430-N434 VanDerWaalsContact O-CG 3.23Å; E430-N434 PolarHBondContact O-N 3.36Å; E430-N434 PolarHBondContact O-ND2 3.25Å; E430-Y491 HydrophobicContact CG-CE1 4.32Å; E430-Y491 WeakPolarHBondContact OE1-CE1 3.23Å; E430-Y491 VanDerWaalsContact OE1-CZ 3.23Å; E430-Y491 PolarHBondContact OE1-OH 2.88Å |
| 431 | N | 95.1 | Very high | 93.9 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.2 | -68.9 | -31.8 | 0 | 0 | 0 | 111.5 | I427 L428 S429 H433 N434 E435 | I427-N431 VanDerWaalsContact O-CG 3.3Å; I427-N431 PolarHBondContact O-N 2.95Å; I427-N431 VanDerWaalsContact O-N 3.08Å; I427-N431 PolarHBondContact O-ND2 2.91Å; L428-N431 PolarHBondContact O-N 3.44Å; S429-N431 PolarHBondContact O-N 3.32Å; N431-H433 VanDerWaalsContact C-N 3.28Å; N431-H433 PolarHBondContact O-N 3.47Å; N431-N434 PolarHBondContact O-N 2.84Å; N431-E435 WeakPolarHBondContact O-CG 3.45Å; N431-E435 PolarHBondContact O-N 3.29Å |
| 432 | L | 93.9 | Very high | 93.9 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 176.1 | -72.8 | 178.9 | 0 | 0 | 0 | 112.3 | L428 S429 E435 G436 A437 Y439 W440 L443 | L428-L432 HydrophobicContact CD1-CG 4.48Å; L428-L432 HydrophobicContact CG-CD1 4.4Å; L428-L432 WeakPolarHBondContact O-CG 3.32Å; L428-L432 PolarHBondContact O-N 3.43Å; S429-L432 PolarHBondContact O-N 2.96Å; L432-E435 PolarHBondContact O-N 3.47Å; L432-G436 PolarHBondContact O-N 2.83Å; L432-G436 VanDerWaalsContact O-N 3.15Å; L432-A437 HydrophobicContact CB-CB 4.16Å; L432-A437 HydrophobicContact CD2-CB 4.14Å; L432-A437 PolarHBondContact O-N 3.31Å; L432-Y439 HydrophobicContact CD1-CD2 4.49Å; L432-Y439 HydrophobicContact CD1-CE2 3.93Å; L432-W440 HydrophobicContact CB-CB 3.73Å; L432-L443 HydrophobicContact CD1-CD1 3.65Å |
| 433 | H | 93.7 | Very high | 93.9 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 174.4 | -175 | 64.7 | 0 | 0 | 0 | 111.4 | S429 E430 N431 E435 G436 W440 | S429-H433 WeakPolarHBondContact O-CB 3.36Å; S429-H433 PolarHBondContact O-N 3.17Å; E430-H433 WeakPolarHBondContact O-CB 3.36Å; E430-H433 PolarHBondContact O-N 3.01Å; N431-H433 VanDerWaalsContact C-N 3.28Å; N431-H433 PolarHBondContact O-N 3.47Å; H433-E435 VanDerWaalsContact C-N 3.26Å; H433-E435 PolarHBondContact O-N 3.01Å; H433-G436 PolarHBondContact O-N 3.02Å; H433-W440 HydrophobicContact CB-CB 4.2Å; H433-W440 HydrophobicContact CB-CD2 3.7Å; H433-W440 HydrophobicContact CB-CE3 3.75Å; H433-W440 HydrophobicContact CB-CG 3.89Å; H433-W440 HydrophobicContact CB-CZ3 4.47Å; H433-W440 AromaticContact CE1-CE2 3.88Å; H433-W440 AromaticContact CE1-CZ2 3.89Å; H433-W440 AromaticContact CG-CD2 3.84Å; H433-W440 AromaticContact ND1-CD1 3.78Å; H433-W440 AromaticContact ND1-CD2 3.39Å; H433-W440 AromaticContact ND1-CE2 3.13Å; H433-W440 AromaticContact ND1-CE3 3.96Å; H433-W440 AromaticContact ND1-CG 3.82Å; H433-W440 AromaticContact ND1-CZ2 3.54Å; H433-W440 AromaticContact ND1-NE1 3.36Å; H433-W440 PolarHBondContact ND1-NE1 3.34Å |
| 434 | N | 94.5 | Very high | 93.9 | Very high | 128 Ų | 128 | 50.9 Ų | 50.9 | 68% | 0.684 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.5 | -30 | 177.5 | -69.8 | -37.9 | 0 | 0 | 0 | 112.8 | E430 N431 G436 | E430-N434 VanDerWaalsContact O-CG 3.23Å; E430-N434 PolarHBondContact O-N 3.36Å; E430-N434 PolarHBondContact O-ND2 3.25Å; N431-N434 PolarHBondContact O-N 2.84Å; N434-G436 VanDerWaalsContact C-N 3.31Å |
| 435 | E | 93.3 | Very high | 94 | Very high | 153 Ų | 153 | 48.1 Ų | 48.1 | 72% | 0.715 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -78.6 | -12.2 | 174.4 | -71.1 | 176.4 | -177.2 | 0 | 0 | 113.5 | N431 L432 H433 | N431-E435 WeakPolarHBondContact O-CG 3.45Å; N431-E435 PolarHBondContact O-N 3.29Å; L432-E435 PolarHBondContact O-N 3.47Å; H433-E435 VanDerWaalsContact C-N 3.26Å; H433-E435 PolarHBondContact O-N 3.01Å |
| 436 | G | 90.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 48.1 Ų | 48.1 | 63% | 0.629 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 21.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L432 H433 N434 | L432-G436 PolarHBondContact O-N 2.83Å; L432-G436 VanDerWaalsContact O-N 3.15Å; H433-G436 PolarHBondContact O-N 3.02Å; N434-G436 VanDerWaalsContact C-N 3.31Å |
| 437 | A | 91 | Very high | 94.2 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | -69.5 | 130.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L432 Y439 W440 | L432-A437 HydrophobicContact CB-CB 4.16Å; L432-A437 HydrophobicContact CD2-CB 4.14Å; L432-A437 PolarHBondContact O-N 3.31Å; A437-Y439 VanDerWaalsContact C-N 3.32Å; A437-Y439 HydrophobicContact CB-CE1 4.2Å; A437-Y439 PolarHBondContact O-N 3.35Å; A437-W440 PolarHBondContact O-N 3.04Å | ||
| 438 | V | 89.6 | Confident | 94.3 | Very high | 112 Ų | 112 | 44.5 Ų | 44.5 | 68% | 0.679 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.4 | -173 | -179.3 | 0 | 0 | 0 | 0 | 113.2 | W441 | V438-W441 PolarHBondContact O-NE1 2.98Š|
| 439 | Y | 91 | Very high | 94.3 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8.7 | -175.2 | 59.7 | -92 | 0 | 0 | 0 | 114 | A309 L432 A437 W441 K442 | A309-Y439 HydrophobicContact CB-CD1 3.8Å; A309-Y439 HydrophobicContact CB-CE1 3.67Å; A309-Y439 HydrophobicContact CB-CE2 4.47Å; A309-Y439 HydrophobicContact CB-CG 4.28Å; L432-Y439 HydrophobicContact CD1-CD2 4.49Å; L432-Y439 HydrophobicContact CD1-CE2 3.93Å; A437-Y439 VanDerWaalsContact C-N 3.32Å; A437-Y439 HydrophobicContact CB-CE1 4.2Å; A437-Y439 PolarHBondContact O-N 3.35Å; Y439-W441 PolarHBondContact O-N 3.24Å; Y439-K442 WeakPolarHBondContact O-CB 3.47Å; Y439-K442 PolarHBondContact O-N 2.95Å |
| 440 | W | 94.2 | Very high | 94.4 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 11% | 0.106 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -51 | -35.9 | -177.3 | 72.8 | -85.7 | 0 | 0 | 0 | 113.4 | S429 L432 H433 A437 K442 L444 F501 | S429-W440 PolarHBondContact OG-O 3.18Å; L432-W440 HydrophobicContact CB-CB 3.73Å; H433-W440 HydrophobicContact CB-CB 4.2Å; H433-W440 HydrophobicContact CB-CD2 3.7Å; H433-W440 HydrophobicContact CB-CE3 3.75Å; H433-W440 HydrophobicContact CB-CG 3.89Å; H433-W440 HydrophobicContact CB-CZ3 4.47Å; H433-W440 AromaticContact CE1-CE2 3.88Å; H433-W440 AromaticContact CE1-CZ2 3.89Å; H433-W440 AromaticContact CG-CD2 3.84Å; H433-W440 AromaticContact ND1-CD1 3.78Å; H433-W440 AromaticContact ND1-CD2 3.39Å; H433-W440 AromaticContact ND1-CE2 3.13Å; H433-W440 AromaticContact ND1-CE3 3.96Å; H433-W440 AromaticContact ND1-CG 3.82Å; H433-W440 AromaticContact ND1-CZ2 3.54Å; H433-W440 AromaticContact ND1-NE1 3.36Å; H433-W440 PolarHBondContact ND1-NE1 3.34Å; A437-W440 PolarHBondContact O-N 3.04Å; W440-K442 VanDerWaalsContact C-N 3.27Å; W440-K442 PolarHBondContact O-N 2.98Å; W440-L444 HydrophobicContact CH2-CD2 4.29Å; W440-L444 HydrophobicContact CZ3-CD2 3.86Å; W440-F501 HydrophobicContact CZ2-CD2 4.37Å; W440-F501 AromaticContact CZ2-CE2 3.77Å; W440-F501 HydrophobicContact CZ2-CE2 3.77Å; W440-F501 HydrophobicContact CZ2-CZ 4.16Å; W440-F501 AromaticContact NE1-CZ 3.72Å |
| 441 | W | 95 | Very high | 94.4 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.3 | -21.4 | -176.6 | 66.1 | -92 | 0 | 0 | 0 | 113.1 | L374 V438 Y439 L443 L444 E445 F501 F503 L504 | L374-W441 HydrophobicContact CD1-CH2 3.92Å; L374-W441 HydrophobicContact CD1-CZ2 4.01Å; L374-W441 HydrophobicContact CD2-CH2 4.24Å; V438-W441 PolarHBondContact O-NE1 2.98Å; Y439-W441 PolarHBondContact O-N 3.24Å; W441-L443 PolarHBondContact O-N 3.09Å; W441-L444 WeakPolarHBondContact O-CB 3.46Å; W441-L444 PolarHBondContact O-N 3.18Å; W441-E445 HydrophobicContact CE3-CB 4.12Å; W441-E445 HydrophobicContact CZ3-CB 4.27Å; W441-E445 HydrophobicContact CZ3-CG 4.25Å; W441-E445 WeakPolarHBondContact O-CB 3.5Å; W441-E445 PolarHBondContact O-N 3.04Å; W441-F501 HydrophobicContact CB-CD1 4.11Å; W441-F501 HydrophobicContact CB-CE1 4.36Å; W441-F501 HydrophobicContact CB-CG 4.26Å; W441-F501 AromaticContact CD1-CD1 3.34Å; W441-F501 AromaticContact CD1-CE1 3.25Å; W441-F501 AromaticContact CD2-CD1 3.87Å; W441-F501 HydrophobicContact CD2-CD1 3.87Å; W441-F501 HydrophobicContact CD2-CG 4.43Å; W441-F501 AromaticContact CE2-CD1 3.92Å; W441-F501 AromaticContact CG-CD1 3.51Å; W441-F501 HydrophobicContact CG-CD1 3.51Å; W441-F501 AromaticContact CG-CE1 3.83Å; W441-F501 HydrophobicContact CG-CE1 3.83Å; W441-F501 HydrophobicContact CG-CG 4.08Å; W441-F501 AromaticContact NE1-CD1 3.58Å; W441-F501 AromaticContact NE1-CE1 3.69Å; W441-F503 HydrophobicContact CH2-CB 4.23Å; W441-F503 HydrophobicContact CZ3-CB 4.1Å; W441-L504 HydrophobicContact CB-CD2 4.19Å; W441-L504 HydrophobicContact CE3-CB 3.96Å; W441-L504 HydrophobicContact CZ3-CB 4.49Å |
| 442 | K | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -35.1 | -179 | -64.3 | -171.6 | 177.1 | -168.8 | 0 | 112.5 | I308 Q368 L369 E371 Y439 W440 E445 A446 | I308-K442 HydrophobicContact CG2-CD 3.53Å; I308-K442 PolarHBondContact O-NZ 3.4Å; Q368-K442 HydrophobicContact CB-CB 4.42Å; Q368-K442 HydrophobicContact CG-CB 4.33Å; L369-K442 WeakPolarHBondContact O-CD 3.27Å; L369-K442 PolarHBondContact O-NZ 3.09Å; E371-K442 VanDerWaalsContact CD-NZ 3.3Å; E371-K442 WeakPolarHBondContact OE1-CE 3.24Å; E371-K442 IonicContact OE1-NZ 3.34Å; E371-K442 PolarHBondContact OE1-NZ 3.3Å; Y439-K442 WeakPolarHBondContact O-CB 3.47Å; Y439-K442 PolarHBondContact O-N 2.95Å; W440-K442 VanDerWaalsContact C-N 3.27Å; W440-K442 PolarHBondContact O-N 2.98Å; K442-E445 PolarHBondContact O-N 3.21Å; K442-A446 WeakPolarHBondContact O-CB 3.44Å; K442-A446 PolarHBondContact O-N 2.92Å |
| 443 | L | 95.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 172.6 | -73.9 | 174.5 | 0 | 0 | 0 | 112 | Q365 Q368 M425 L428 L432 W441 S447 | Q365-L443 HydrophobicContact CG-CD2 4.03Å; Q368-L443 HydrophobicContact CG-CD2 4.06Å; M425-L443 HydrophobicContact CE-CB 4.46Å; M425-L443 HydrophobicContact CE-CD2 3.68Å; L428-L443 HydrophobicContact CB-CD1 4.15Å; L428-L443 HydrophobicContact CD2-CD1 3.67Å; L428-L443 HydrophobicContact CG-CD1 3.69Å; L432-L443 HydrophobicContact CD1-CD1 3.65Å; W441-L443 PolarHBondContact O-N 3.09Å; L443-S447 WeakPolarHBondContact O-CB 3.34Å; L443-S447 PolarHBondContact O-N 3.01Å; L443-S447 PolarHBondContact O-OG 2.91Å |
| 444 | L | 96.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 175.4 | 176.5 | 58.8 | 0 | 0 | 0 | 110.5 | L426 W440 W441 S447 L448 Y491 L504 | L426-L444 HydrophobicContact CD2-CD1 3.52Å; W440-L444 HydrophobicContact CH2-CD2 4.29Å; W440-L444 HydrophobicContact CZ3-CD2 3.86Å; W441-L444 WeakPolarHBondContact O-CB 3.46Å; W441-L444 PolarHBondContact O-N 3.18Å; L444-S447 WeakPolarHBondContact O-CB 3.33Å; L444-S447 PolarHBondContact O-N 3.36Å; L444-L448 HydrophobicContact CD1-CD1 4.38Å; L444-L448 HydrophobicContact CD1-CG 4.41Å; L444-L448 HydrophobicContact CG-CD1 4.35Å; L444-L448 VanDerWaalsContact O-CG 3.3Å; L444-L448 WeakPolarHBondContact O-CG 3.48Å; L444-L448 PolarHBondContact O-N 3.41Å; L444-Y491 HydrophobicContact CD1-CD1 3.92Å; L444-Y491 HydrophobicContact CD1-CG 4.31Å; L444-L504 HydrophobicContact CB-CD1 4.4Å; L444-L504 HydrophobicContact CD2-CD1 4.17Å; L444-L504 HydrophobicContact CD2-CD2 3.92Å; L444-L504 HydrophobicContact CG-CD1 3.86Å; L444-L504 HydrophobicContact CG-CD2 4.47Å |
| 445 | E | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.2 | -50.3 | 174.6 | -171.4 | -73.8 | 148.2 | 0 | 0 | 111.5 | L369 R397 W441 K442 S447 L448 F449 L504 T507 | L369-E445 HydrophobicContact CD1-CG 4.14Å; R397-E445 IonicContact CZ-OE1 2.61Å; R397-E445 IonicContact CZ-OE2 3.65Å; R397-E445 IonicContact NH1-OE1 3.53Å; R397-E445 IonicContact NH1-OE2 3.76Å; R397-E445 PolarHBondContact NH1-OE2 3.26Å; R397-E445 IonicContact NH2-OE1 3.5Å; R397-E445 PolarHBondContact NH2-OE1 2.95Å; R397-E445 IonicContact NH2-OE2 3.21Å; R397-E445 PolarHBondContact NH2-OE2 2.99Å; W441-E445 HydrophobicContact CE3-CB 4.12Å; W441-E445 HydrophobicContact CZ3-CB 4.27Å; W441-E445 HydrophobicContact CZ3-CG 4.25Å; W441-E445 WeakPolarHBondContact O-CB 3.5Å; W441-E445 PolarHBondContact O-N 3.04Å; K442-E445 PolarHBondContact O-N 3.21Å; E445-S447 VanDerWaalsContact C-N 3.31Å; E445-S447 PolarHBondContact O-N 3.06Å; E445-L448 PolarHBondContact O-N 3.04Å; E445-F449 WeakPolarHBondContact O-CB 3.43Å; E445-F449 PolarHBondContact O-N 3.41Å; E445-L504 HydrophobicContact CB-CD1 3.97Å; E445-T507 HydrophobicContact CG-CG2 4.2Å; E445-T507 WeakPolarHBondContact OE1-CB 3.46Å; E445-T507 VanDerWaalsContact OE1-CG2 3.3Å; E445-T507 WeakPolarHBondContact OE1-CG2 3.24Å; E445-T507 PolarHBondContact OE1-OG1 3.29Å |
| 446 | A | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V367 Q368 M425 K442 L448 F449 I450 | V367-A446 HydrophobicContact CB-CB 4.23Å; V367-A446 HydrophobicContact CG1-CB 4.15Å; Q368-A446 HydrophobicContact CG-CB 3.93Å; M425-A446 HydrophobicContact CE-CB 3.86Å; K442-A446 WeakPolarHBondContact O-CB 3.44Å; K442-A446 PolarHBondContact O-N 2.92Å; A446-L448 PolarHBondContact O-N 3.12Å; A446-F449 PolarHBondContact O-N 3.35Å; A446-I450 WeakPolarHBondContact O-CD1 3.38Å; A446-I450 WeakPolarHBondContact O-CG1 3.28Å; A446-I450 PolarHBondContact O-N 3.11Å |
| 447 | S | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | 177 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | L443 L444 E445 S451 | L443-S447 WeakPolarHBondContact O-CB 3.34Å; L443-S447 PolarHBondContact O-N 3.01Å; L443-S447 PolarHBondContact O-OG 2.91Å; L444-S447 WeakPolarHBondContact O-CB 3.33Å; L444-S447 PolarHBondContact O-N 3.36Å; E445-S447 VanDerWaalsContact C-N 3.31Å; E445-S447 PolarHBondContact O-N 3.06Å; S447-S451 WeakPolarHBondContact O-CB 3.34Å; S447-S451 PolarHBondContact O-N 2.66Å; S447-S451 VanDerWaalsContact O-N 3.14Å; S447-S451 PolarHBondContact O-OG 3.05Å |
| 448 | L | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.5 | -41.4 | 176.5 | -64.6 | 172.1 | 0 | 0 | 0 | 111.3 | L444 E445 A446 S451 G452 F487 L492 L504 T507 A508 C511 | L444-L448 HydrophobicContact CD1-CD1 4.38Å; L444-L448 HydrophobicContact CD1-CG 4.41Å; L444-L448 HydrophobicContact CG-CD1 4.35Å; L444-L448 VanDerWaalsContact O-CG 3.3Å; L444-L448 WeakPolarHBondContact O-CG 3.48Å; L444-L448 PolarHBondContact O-N 3.41Å; E445-L448 PolarHBondContact O-N 3.04Å; A446-L448 PolarHBondContact O-N 3.12Å; L448-S451 PolarHBondContact O-N 2.98Å; L448-G452 PolarHBondContact O-N 3.33Å; L448-F487 HydrophobicContact CD2-CE1 4.3Å; L448-F487 HydrophobicContact CD2-CE2 4.08Å; L448-F487 HydrophobicContact CD2-CZ 3.59Å; L448-L492 HydrophobicContact CD2-CB 4.06Å; L448-L492 HydrophobicContact CD2-CD1 3.91Å; L448-L504 HydrophobicContact CD1-CD1 3.64Å; L448-T507 HydrophobicContact CB-CG2 4.06Å; L448-A508 HydrophobicContact CD1-CB 3.95Å; L448-C511 HydrophobicContact CB-CB 4.2Å; L448-C511 WeakPolarHBondContact O-CB 3.47Å; L448-C511 PolarHBondContact O-SG 3.46Å |
| 449 | F | 95.4 | Very high | 92.6 | Very high | 35 Ų | 35 | 19.2 Ų | 19.2 | 15% | 0.154 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 176.8 | -179.5 | -102.1 | 0 | 0 | 0 | 112.2 | V367 R397 L398 M401 E445 A446 S451 G452 N453 T507 | V367-F449 HydrophobicContact CG1-CD1 3.54Å; V367-F449 HydrophobicContact CG1-CE1 4.04Å; R397-F449 HydrophobicContact CG-CE1 4.12Å; R397-F449 HydrophobicContact CG-CZ 4.48Å; L398-F449 HydrophobicContact CD2-CZ 4.25Å; M401-F449 HydrophobicContact CB-CE1 4.23Å; M401-F449 HydrophobicContact CG-CE1 4.02Å; M401-F449 HydrophobicContact SD-CD1 4.22Å; M401-F449 HydrophobicContact SD-CE1 4.08Å; E445-F449 WeakPolarHBondContact O-CB 3.43Å; E445-F449 PolarHBondContact O-N 3.41Å; A446-F449 PolarHBondContact O-N 3.35Å; F449-S451 PolarHBondContact O-N 3.37Å; F449-G452 PolarHBondContact O-N 3.17Å; F449-N453 WeakPolarHBondContact CD2-ND2 3.45Å; F449-N453 WeakPolarHBondContact CE1-ND2 3.34Å; F449-N453 WeakPolarHBondContact CE2-ND2 3.42Å; F449-N453 WeakPolarHBondContact CG-ND2 3.29Å; F449-N453 WeakPolarHBondContact CZ-ND2 3.43Å; F449-N453 PolarHBondContact O-N 3.2Å; F449-N453 PolarHBondContact O-ND2 2.82Å; F449-T507 HydrophobicContact CB-CG2 3.77Å |
| 450 | I | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 178.2 | -65.2 | 161.6 | 0 | 0 | 0 | 110.2 | C364 V367 M401 I404 I418 I422 A446 G452 N453 L454 | C364-I450 HydrophobicContact CB-CD1 3.56Å; V367-I450 HydrophobicContact CB-CD1 4.1Å; V367-I450 HydrophobicContact CB-CG1 4.33Å; V367-I450 HydrophobicContact CG1-CD1 4.23Å; V367-I450 HydrophobicContact CG1-CG1 3.96Å; V367-I450 HydrophobicContact CG2-CD1 3.93Å; V367-I450 HydrophobicContact CG2-CG1 4.09Å; M401-I450 HydrophobicContact CE-CG2 4.34Å; M401-I450 HydrophobicContact SD-CB 4.37Å; M401-I450 HydrophobicContact SD-CG1 4.06Å; M401-I450 HydrophobicContact SD-CG2 4.48Å; I404-I450 HydrophobicContact CD1-CD1 4.09Å; I404-I450 HydrophobicContact CD1-CG1 4.27Å; I404-I450 HydrophobicContact CG2-CG2 4Å; I418-I450 HydrophobicContact CG2-CG2 3.91Å; I422-I450 HydrophobicContact CD1-CB 4.31Å; I422-I450 HydrophobicContact CD1-CG2 3.93Å; A446-I450 WeakPolarHBondContact O-CD1 3.38Å; A446-I450 WeakPolarHBondContact O-CG1 3.28Å; A446-I450 PolarHBondContact O-N 3.11Å; I450-G452 VanDerWaalsContact C-N 3.31Å; I450-G452 PolarHBondContact O-N 3.44Å; I450-N453 PolarHBondContact O-N 3.16Å; I450-L454 HydrophobicContact CG2-CD1 3.84Å; I450-L454 HydrophobicContact CG2-CG 4.4Å; I450-L454 WeakPolarHBondContact O-CB 3.4Å; I450-L454 WeakPolarHBondContact O-CG 3.28Å; I450-L454 PolarHBondContact O-N 3.15Å |
| 451 | S | 95 | Very high | 92 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 179.3 | -56.9 | 0 | 0 | 0 | 0 | 112 | I422 S447 L448 F449 A455 F487 | I422-S451 WeakPolarHBondContact CD1-OG 3.28Å; S447-S451 WeakPolarHBondContact O-CB 3.34Å; S447-S451 PolarHBondContact O-N 2.66Å; S447-S451 VanDerWaalsContact O-N 3.14Å; S447-S451 PolarHBondContact O-OG 3.05Å; L448-S451 PolarHBondContact O-N 2.98Å; F449-S451 PolarHBondContact O-N 3.37Å; S451-A455 WeakPolarHBondContact O-CB 3.36Å; S451-A455 PolarHBondContact O-N 2.96Å; S451-F487 WeakPolarHBondContact OG-CZ 3.37Å |
| 452 | G | 92.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.6 | -51.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L448 F449 I450 L454 A455 S456 H514 | L448-G452 PolarHBondContact O-N 3.33Å; F449-G452 PolarHBondContact O-N 3.17Å; I450-G452 VanDerWaalsContact C-N 3.31Å; I450-G452 PolarHBondContact O-N 3.44Å; G452-L454 VanDerWaalsContact C-N 3.32Å; G452-L454 PolarHBondContact O-N 3.32Å; G452-A455 WeakPolarHBondContact O-CB 3.48Å; G452-A455 PolarHBondContact O-N 3.45Å; G452-A455 VanDerWaalsContact O-N 3.12Å; G452-S456 PolarHBondContact O-N 2.93Å; G452-H514 WeakPolarHBondContact O-CB 3.15Å |
| 453 | N | 92 | Very high | 90.4 | Very high | 11 Ų | 11 | 20.8 Ų | 20.8 | 6% | 0.059 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.2 | -25 | -177.5 | -73.6 | -60.8 | 0 | 0 | 0 | 113.9 | E390 M401 F449 I450 S456 N457 | E390-N453 PolarHBondContact OE1-OD1 3.07Å; M401-N453 HydrophobicContact CE-CB 3.69Å; M401-N453 HydrophobicContact CG-CB 4.21Å; M401-N453 HydrophobicContact SD-CB 4.01Å; F449-N453 WeakPolarHBondContact CD2-ND2 3.45Å; F449-N453 WeakPolarHBondContact CE1-ND2 3.34Å; F449-N453 WeakPolarHBondContact CE2-ND2 3.42Å; F449-N453 WeakPolarHBondContact CG-ND2 3.29Å; F449-N453 WeakPolarHBondContact CZ-ND2 3.43Å; F449-N453 PolarHBondContact O-N 3.2Å; F449-N453 PolarHBondContact O-ND2 2.82Å; I450-N453 PolarHBondContact O-N 3.16Å; N453-S456 WeakPolarHBondContact CA-OG 3.32Å; N453-S456 PolarHBondContact O-OG 3.48Å; N453-N457 PolarHBondContact O-ND2 3.07Å |
| 454 | L | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.9 | -39.8 | 169.2 | -70.1 | 175.6 | 0 | 0 | 0 | 111.1 | M401 I404 K405 A408 I418 I450 G452 N457 I459 I461 | M401-L454 HydrophobicContact CE-CD2 3.87Å; M401-L454 HydrophobicContact CE-CG 3.8Å; I404-L454 HydrophobicContact CG2-CD1 4.13Å; I404-L454 HydrophobicContact CG2-CD2 4.28Å; K405-L454 HydrophobicContact CB-CD2 4.48Å; K405-L454 HydrophobicContact CG-CD2 4.02Å; A408-L454 HydrophobicContact CB-CD2 3.94Å; I418-L454 HydrophobicContact CB-CD1 4.46Å; I418-L454 HydrophobicContact CG2-CD1 3.74Å; I450-L454 HydrophobicContact CG2-CD1 3.84Å; I450-L454 HydrophobicContact CG2-CG 4.4Å; I450-L454 WeakPolarHBondContact O-CB 3.4Å; I450-L454 WeakPolarHBondContact O-CG 3.28Å; I450-L454 PolarHBondContact O-N 3.15Å; G452-L454 VanDerWaalsContact C-N 3.32Å; G452-L454 PolarHBondContact O-N 3.32Å; L454-N457 CarbonylContact O-C 3.48Å; L454-N457 PolarHBondContact O-N 3.21Å; L454-I459 CarbonylContact C-O 3.53Å; L454-I459 HydrophobicContact CB-CB 4.19Å; L454-I459 HydrophobicContact CB-CG2 4.49Å; L454-I459 HydrophobicContact CD2-CD1 3.72Å; L454-I459 WeakPolarHBondContact O-CA 3.29Å; L454-I459 WeakPolarHBondContact O-CB 3.36Å; L454-I459 PolarHBondContact O-N 3.27Å; L454-I461 HydrophobicContact CB-CG2 4.32Å; L454-I461 HydrophobicContact CD1-CG2 3.56Å |
| 455 | A | 90.1 | Very high | 86 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S451 G452 N457 S458 H514 L515 A518 I520 | S451-A455 WeakPolarHBondContact O-CB 3.36Å; S451-A455 PolarHBondContact O-N 2.96Å; G452-A455 WeakPolarHBondContact O-CB 3.48Å; G452-A455 PolarHBondContact O-N 3.45Å; G452-A455 VanDerWaalsContact O-N 3.12Å; A455-N457 PolarHBondContact O-N 3.16Å; A455-S458 WeakPolarHBondContact O-CA 3.17Å; A455-S458 PolarHBondContact O-N 2.9Å; A455-H514 HydrophobicContact CB-CB 4.39Å; A455-L515 HydrophobicContact CB-CD2 3.85Å; A455-L515 HydrophobicContact CB-CG 4.48Å; A455-A518 HydrophobicContact CB-CB 3.98Å; A455-A518 VanDerWaalsContact O-CB 3.31Å; A455-A518 WeakPolarHBondContact O-CB 3.33Å; A455-I520 HydrophobicContact CB-CD1 4.04Å |
| 456 | S | 85.1 | Confident | 82.8 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 24% | 0.238 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -31.5 | 176.4 | 60.1 | 0 | 0 | 0 | 0 | 113 | G452 N453 S458 H514 | G452-S456 PolarHBondContact O-N 2.93Å; N453-S456 WeakPolarHBondContact CA-OG 3.32Å; N453-S456 PolarHBondContact O-OG 3.48Å; S456-S458 PolarHBondContact O-N 2.79Å; S456-H514 WeakPolarHBondContact CB-ND1 3.22Å |
| 457 | N | 82.6 | Confident | 79.6 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 21 | 175.2 | -68.8 | -71.8 | 0 | 0 | 0 | 113.1 | K405 N453 L454 A455 I459 | K405-N457 WeakPolarHBondContact CE-ND2 3.41Å; N453-N457 PolarHBondContact O-ND2 3.07Å; L454-N457 CarbonylContact O-C 3.48Å; L454-N457 PolarHBondContact O-N 3.21Å; A455-N457 PolarHBondContact O-N 3.16Å; N457-I459 HydrophobicContact CB-CD1 4.1Å; N457-I459 HydrophobicContact CB-CG1 4.45Å; N457-I459 PolarHBondContact O-N 3.16Å |
| 458 | S | 83.2 | Confident | 76.4 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 21 | -179.2 | -57.2 | 0 | 0 | 0 | 0 | 115.4 | A455 S456 | A455-S458 WeakPolarHBondContact O-CA 3.17Å; A455-S458 PolarHBondContact O-N 2.9Å; S456-S458 PolarHBondContact O-N 2.79Å |
| 459 | I | 84.6 | Confident | 73.1 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | trans | -97.4 | 103.3 | 179.7 | -55 | 159.6 | 0 | 0 | 0 | 109.9 | A408 C409 A415 L454 N457 I461 | A408-I459 HydrophobicContact CB-CD1 4.24Å; A408-I459 HydrophobicContact CB-CG2 4Å; C409-I459 WeakPolarHBondContact SG-CD1 3.37Å; A415-I459 HydrophobicContact CB-CG2 4.1Å; L454-I459 CarbonylContact C-O 3.53Å; L454-I459 HydrophobicContact CB-CB 4.19Å; L454-I459 HydrophobicContact CB-CG2 4.49Å; L454-I459 HydrophobicContact CD2-CD1 3.72Å; L454-I459 WeakPolarHBondContact O-CA 3.29Å; L454-I459 WeakPolarHBondContact O-CB 3.36Å; L454-I459 PolarHBondContact O-N 3.27Å; N457-I459 HydrophobicContact CB-CD1 4.1Å; N457-I459 HydrophobicContact CB-CG1 4.45Å; N457-I459 PolarHBondContact O-N 3.16Å; I459-I461 HydrophobicContact CG2-CG2 4.43Å; I459-I461 PolarHBondContact O-N 2.82Å | ||
| 460 | N | 85.9 | Confident | 69.9 | Low | 58 Ų | 58 | 67.1 Ų | 67.1 | 31% | 0.31 | 36% | 0.359 | S | S | . | . | trans | -88.1 | 94.9 | 178.5 | -171.4 | -11.5 | 0 | 0 | 0 | 112.7 | F462 S463 I520 | N460-F462 PolarHBondContact O-N 3.33Å; N460-F462 WeakPolarHBondContact OD1-CA 3.32Å; N460-F462 WeakPolarHBondContact OD1-CB 3.32Å; N460-F462 PolarHBondContact OD1-N 3.4Å; N460-S463 PolarHBondContact O-N 3.15Å; N460-S463 PolarHBondContact O-OG 3.37Å; N460-S463 PolarHBondContact OD1-N 3.08Å; N460-I520 HydrophobicContact CB-CD1 4.24Å | ||
| 461 | I | 88.3 | Confident | 66.9 | Low | 8 Ų | 8 | 76.3 Ų | 76.3 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13 | 176.4 | 64.9 | 169.4 | 0 | 0 | 0 | 114.7 | A415 N419 I422 L454 I459 | A415-I461 HydrophobicContact CB-CG2 4.13Å; N419-I461 HydrophobicContact CB-CB 4.42Å; N419-I461 WeakPolarHBondContact CB-O 3.34Å; N419-I461 PolarHBondContact ND2-O 2.59Å; I422-I461 HydrophobicContact CD1-CD1 3.61Å; L454-I461 HydrophobicContact CB-CG2 4.32Å; L454-I461 HydrophobicContact CD1-CG2 3.56Å; I459-I461 HydrophobicContact CG2-CG2 4.43Å; I459-I461 PolarHBondContact O-N 2.82Å |
| 462 | F | 85.9 | Confident | 63.7 | Low | 26 Ų | 26 | 82.3 Ų | 82.3 | 11% | 0.114 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.3 | -178.3 | -54.5 | -74.8 | 0 | 0 | 0 | 113.1 | N460 H464 I482 F484 F487 L515 I520 | N460-F462 PolarHBondContact O-N 3.33Å; N460-F462 WeakPolarHBondContact OD1-CA 3.32Å; N460-F462 WeakPolarHBondContact OD1-CB 3.32Å; N460-F462 PolarHBondContact OD1-N 3.4Å; F462-H464 PolarHBondContact O-N 3.4Å; F462-I482 HydrophobicContact CE1-CG2 4.27Å; F462-F484 HydrophobicContact CB-CB 3.89Å; F462-F484 HydrophobicContact CD1-CB 4.12Å; F462-F484 HydrophobicContact CD1-CD2 4.41Å; F462-F484 HydrophobicContact CD2-CB 4.46Å; F462-F484 AromaticContact CD2-CD2 3.75Å; F462-F484 HydrophobicContact CD2-CD2 3.75Å; F462-F484 AromaticContact CE2-CD2 3.9Å; F462-F484 HydrophobicContact CE2-CD2 3.9Å; F462-F484 HydrophobicContact CE2-CE2 4.48Å; F462-F484 HydrophobicContact CG-CB 3.91Å; F462-F484 HydrophobicContact CG-CD2 4.03Å; F462-F484 HydrophobicContact CG-CG 4.44Å; F462-F484 HydrophobicContact CZ-CD2 4.3Å; F462-F487 HydrophobicContact CE1-CB 3.87Å; F462-F487 HydrophobicContact CE1-CD1 4.08Å; F462-F487 HydrophobicContact CE1-CD2 4.23Å; F462-F487 AromaticContact CE1-CG 3.8Å; F462-F487 HydrophobicContact CE1-CG 3.8Å; F462-F487 HydrophobicContact CE2-CD1 4.44Å; F462-F487 HydrophobicContact CZ-CB 4.3Å; F462-F487 AromaticContact CZ-CD1 3.61Å; F462-F487 HydrophobicContact CZ-CD1 3.61Å; F462-F487 HydrophobicContact CZ-CD2 4.19Å; F462-F487 AromaticContact CZ-CE1 3.86Å; F462-F487 HydrophobicContact CZ-CE1 3.86Å; F462-F487 HydrophobicContact CZ-CE2 4.4Å; F462-F487 AromaticContact CZ-CG 3.77Å; F462-F487 HydrophobicContact CZ-CG 3.77Å; F462-F487 HydrophobicContact CZ-CZ 4.22Å; F462-L515 HydrophobicContact CE2-CD2 4.23Å; F462-I520 HydrophobicContact CD2-CG2 4.45Å |
| 463 | S | 70.6 | Confident | 60.6 | Low | 62 Ų | 62 | 87 Ų | 87 | 43% | 0.434 | 47% | 0.472 | S | S | . | . | trans | -77 | 115.8 | -178.3 | 65 | 0 | 0 | 0 | 0 | 112.2 | N460 | N460-S463 PolarHBondContact O-N 3.15Å; N460-S463 PolarHBondContact O-OG 3.37Å; N460-S463 PolarHBondContact OD1-N 3.08Å | ||
| 464 | H | 55.5 | Low | 57.6 | Low | 95 Ų | 95 | 93.3 Ų | 93.3 | 44% | 0.44 | 51% | 0.505 | S | S | . | . | trans | -82.8 | 111.7 | 166.4 | -89.9 | -62.2 | 0 | 0 | 0 | 109.3 | F462 N466 F481 | F462-H464 PolarHBondContact O-N 3.4Å; H464-N466 PolarHBondContact O-N 3.07Å; H464-F481 AromaticContact CE1-CD2 3.47Å; H464-F481 VanDerWaalsContact CE1-CD2 3.47Å; H464-F481 WeakPolarHBondContact CE1-CD2 3.47Å; H464-F481 AromaticContact CE1-CE2 3.98Å; H464-F481 AromaticContact CE1-CG 3.95Å | ||
| 465 | N | 42.2 | Very low | 54.9 | Low | 127 Ų | 127 | 101.3 Ų | 101.3 | 68% | 0.679 | 55% | 0.548 | S | S | * | . | trans | -63.6 | 81.3 | 169.8 | -93.2 | -15.9 | 0 | 0 | 0 | 110.8 | R467 | N465-R467 PolarHBondContact O-N 3.37Š| ||
| 466 | N | 29.6 | Very low | 52.4 | Low | 157 Ų | 157 | 108.8 Ų | 108.8 | 84% | 0.84 | 59% | 0.585 | S | S | * | * | trans | -75.7 | 67.2 | 165.4 | -88.2 | -26.3 | 0 | 0 | 0 | 109.8 | H464 | H464-N466 PolarHBondContact O-N 3.07Š| ||
| 467 | R | 29.6 | Very low | 50.6 | Low | 232 Ų | 232 | 114 Ų | 114 | 88% | 0.875 | 60% | 0.603 | S | S | * | * | trans | -137.7 | 68.6 | 162.7 | -78.7 | -169.3 | 178.7 | 177.4 | 2 | 110.6 | N465 | N465-R467 PolarHBondContact O-N 3.37Š| ||
| 468 | S | 30.2 | Very low | 49 | Very low | 100 Ų | 100 | 116.5 Ų | 116.5 | 70% | 0.699 | 62% | 0.617 | S | S | * | * | trans | -166.8 | 85.1 | 143.3 | 45 | 0 | 0 | 0 | 0 | 109.9 | H470 | S468-H470 PolarHBondContact O-N 3.16Š| ||
| 469 | T | 27.8 | Very low | 47.7 | Very low | 133 Ų | 133 | 117.1 Ų | 117.1 | 82% | 0.816 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -57 | 119.9 | 150.4 | 36.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 470 | H | 27.2 | Very low | 47.2 | Very low | 173 Ų | 173 | 117.3 Ų | 117.3 | 80% | 0.801 | 62% | 0.624 | S | S | * | * | trans | 90.3 | 80.3 | -176.7 | -51.5 | -63.5 | 0 | 0 | 0 | 115.7 | S468 | S468-H470 PolarHBondContact O-N 3.16Š| ||
| 471 | Q | 33.3 | Very low | 47.2 | Very low | 193 Ų | 193 | 116.5 Ų | 116.5 | 90% | 0.902 | 62% | 0.618 | S | S | * | * | -156 | 139.7 | 123.8 | -105.5 | 166.3 | 47.6 | 0 | 0 | 110.9 | |||||
| 472 | T | 29.1 | Very low | 47.2 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 78% | 0.779 | 62% | 0.617 | S | S | * | * | trans | -81 | 144.2 | -162.3 | 41.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 473 | S | 26.6 | Very low | 47.4 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | trans | 59.2 | 87.3 | 156 | 55.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 474 | N | 30 | Very low | 48.3 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 77% | 0.765 | 63% | 0.625 | S | S | * | * | trans | -165.5 | 87.9 | 133.2 | -94 | -17.6 | 0 | 0 | 0 | 110.2 | M476 | N474-M476 PolarHBondContact O-N 3.36Š| ||
| 475 | N | 35.3 | Very low | 50 | Low | 168 Ų | 168 | 119.7 Ų | 119.7 | 90% | 0.898 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 26.3 | 180 | -86.4 | -5.3 | 0 | 0 | 0 | 114.8 | ||
| 476 | M | 38.6 | Very low | 52.3 | Low | 160 Ų | 160 | 116.3 Ų | 116.3 | 79% | 0.788 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -16.9 | -170.8 | -137.3 | 159.8 | 85.7 | 0 | 0 | 115 | N474 | N474-M476 PolarHBondContact O-N 3.36Š|
| 477 | F | 46 | Very low | 55.4 | Low | 143 Ų | 143 | 108.8 Ų | 108.8 | 63% | 0.627 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -90.2 | -24 | -176.6 | -76.8 | -78.3 | 0 | 0 | 0 | 114.7 | S479 C480 F481 | F477-S479 PolarHBondContact O-N 3.37Å; F477-S479 VanDerWaalsContact O-N 3.12Å; F477-C480 PolarHBondContact O-N 2.82Å; F477-F481 HydrophobicContact CB-CE2 4.44Å; F477-F481 VanDerWaalsContact O-CE2 3.26Å; F477-F481 WeakPolarHBondContact O-CE2 3.41Å |
| 478 | N | 48.5 | Very low | 58.4 | Low | 126 Ų | 126 | 98.6 Ų | 98.6 | 67% | 0.674 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.3 | -174.6 | -81 | 8.3 | 0 | 0 | 0 | 114.8 | C480 | N478-C480 VanDerWaalsContact C-N 3.34Š|
| 479 | S | 56.2 | Low | 61.4 | Low | 107 Ų | 107 | 97.6 Ų | 97.6 | 75% | 0.748 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5.5 | 178.7 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | F477 | F477-S479 PolarHBondContact O-N 3.37Å; F477-S479 VanDerWaalsContact O-N 3.12Å |
| 480 | C | 75.2 | Confident | 64.6 | Low | 26 Ų | 26 | 95.6 Ų | 95.6 | 18% | 0.176 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -93.2 | -18.3 | -179.3 | -161.6 | 0 | 0 | 0 | 0 | 114 | C420 N423 F477 N478 | C420-C480 HydrophobicContact CB-CB 4.02Å; C420-C480 WeakPolarHBondContact CB-SG 3.47Å; C420-C480 WeakPolarHBondContact SG-CB 3.34Å; C420-C480 CovalentContact SG-SG 2.05Å; C420-C480 PolarHBondContact SG-SG 2.9Å; N423-C480 WeakPolarHBondContact CB-O 3.34Å; N423-C480 PolarHBondContact ND2-O 2.97Å; F477-C480 PolarHBondContact O-N 2.82Å; N478-C480 VanDerWaalsContact C-N 3.34Å |
| 481 | F | 85.2 | Confident | 67.8 | Low | 41 Ų | 41 | 88.4 Ų | 88.4 | 18% | 0.18 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 143.2 | -174.1 | -54.3 | -63.1 | 0 | 0 | 0 | 111.6 | Q416 N419 C420 H464 F477 | Q416-F481 HydrophobicContact CB-CE1 4Å; N419-F481 HydrophobicContact CB-CD1 4.44Å; N419-F481 VanDerWaalsContact OD1-CA 3.29Å; N419-F481 WeakPolarHBondContact OD1-CA 3.27Å; C420-F481 HydrophobicContact CB-CD1 4.39Å; C420-F481 HydrophobicContact CB-CE1 4.35Å; H464-F481 AromaticContact CE1-CD2 3.47Å; H464-F481 VanDerWaalsContact CE1-CD2 3.47Å; H464-F481 WeakPolarHBondContact CE1-CD2 3.47Å; H464-F481 AromaticContact CE1-CE2 3.98Å; H464-F481 AromaticContact CE1-CG 3.95Å; F477-F481 HydrophobicContact CB-CE2 4.44Å; F477-F481 VanDerWaalsContact O-CE2 3.26Å; F477-F481 WeakPolarHBondContact O-CE2 3.41Å |
| 482 | I | 87.6 | Confident | 70.7 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 121 | 167.6 | -171.2 | 167.1 | 0 | 0 | 0 | 109.1 | N419 N423 L426 F462 V486 F487 Y491 | N419-I482 PolarHBondContact ND2-O 2.93Å; N419-I482 PolarHBondContact OD1-N 3.11Å; N423-I482 HydrophobicContact CB-CB 4Å; N423-I482 HydrophobicContact CB-CG2 4.2Å; L426-I482 HydrophobicContact CD1-CD1 3.5Å; F462-I482 HydrophobicContact CE1-CG2 4.27Å; I482-V486 HydrophobicContact CD1-CG1 4.37Å; I482-V486 HydrophobicContact CG1-CB 4.24Å; I482-V486 HydrophobicContact CG1-CG1 4.23Å; I482-F487 HydrophobicContact CD1-CB 3.86Å; I482-F487 HydrophobicContact CD1-CD2 4.19Å; I482-F487 HydrophobicContact CG1-CB 4.05Å; I482-Y491 HydrophobicContact CD1-CD2 3.92Å; I482-Y491 HydrophobicContact CD1-CE2 3.6Å |
| 483 | E | 90.9 | Very high | 73.8 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 58% | 0.579 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 145.3 | 172.3 | -66.7 | -179.3 | 175.9 | 0 | 0 | 110 | D485 V486 F487 | E483-D485 VanDerWaalsContact C-N 3.3Å; E483-D485 PolarHBondContact O-N 3Å; E483-V486 HydrophobicContact CB-CG2 4.22Å; E483-V486 WeakPolarHBondContact O-CB 3.39Å; E483-V486 PolarHBondContact O-N 3.11Å; E483-V486 VanDerWaalsContact O-N 3.1Å; E483-F487 PolarHBondContact O-N 3.08Å |
| 484 | F | 90.6 | Very high | 77.1 | Confident | 28 Ų | 28 | 77 Ų | 77 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.2 | -41.8 | -177.8 | 176.7 | -106.2 | 0 | 0 | 0 | 112.9 | F462 V486 F487 Y488 L515 I520 L521 Q525 | F462-F484 HydrophobicContact CB-CB 3.89Å; F462-F484 HydrophobicContact CD1-CB 4.12Å; F462-F484 HydrophobicContact CD1-CD2 4.41Å; F462-F484 HydrophobicContact CD2-CB 4.46Å; F462-F484 AromaticContact CD2-CD2 3.75Å; F462-F484 HydrophobicContact CD2-CD2 3.75Å; F462-F484 AromaticContact CE2-CD2 3.9Å; F462-F484 HydrophobicContact CE2-CD2 3.9Å; F462-F484 HydrophobicContact CE2-CE2 4.48Å; F462-F484 HydrophobicContact CG-CB 3.91Å; F462-F484 HydrophobicContact CG-CD2 4.03Å; F462-F484 HydrophobicContact CG-CG 4.44Å; F462-F484 HydrophobicContact CZ-CD2 4.3Å; F484-V486 VanDerWaalsContact C-N 3.28Å; F484-V486 PolarHBondContact O-N 3.22Å; F484-F487 WeakPolarHBondContact O-CB 3.48Å; F484-F487 PolarHBondContact O-N 2.99Å; F484-Y488 HydrophobicContact CZ-CD2 4.14Å; F484-Y488 WeakPolarHBondContact O-CB 3.13Å; F484-Y488 PolarHBondContact O-N 3.32Å; F484-L515 HydrophobicContact CE2-CD1 4.22Å; F484-L515 HydrophobicContact CE2-CD2 4.45Å; F484-I520 HydrophobicContact CD2-CG2 3.82Å; F484-I520 HydrophobicContact CE1-CG2 4.42Å; F484-I520 HydrophobicContact CE2-CG2 3.69Å; F484-I520 HydrophobicContact CG-CG2 4.27Å; F484-I520 HydrophobicContact CZ-CG2 4.04Å; F484-L521 HydrophobicContact CE2-CD2 4.39Å; F484-L521 HydrophobicContact CZ-CD2 3.66Å; F484-Q525 VanDerWaalsContact CE1-OE1 3.29Å |
| 485 | D | 89.9 | Confident | 80.2 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 179.6 | -70.1 | -23 | 0 | 0 | 0 | 112.6 | E483 T489 | E483-D485 VanDerWaalsContact C-N 3.3Å; E483-D485 PolarHBondContact O-N 3Å; D485-T489 WeakPolarHBondContact O-CB 3.48Å; D485-T489 PolarHBondContact O-N 3.18Å; D485-T489 PolarHBondContact O-OG1 3.29Å |
| 486 | V | 91.9 | Very high | 82.9 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.7 | -46.5 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | I482 E483 F484 Y488 T489 N490 | I482-V486 HydrophobicContact CD1-CG1 4.37Å; I482-V486 HydrophobicContact CG1-CB 4.24Å; I482-V486 HydrophobicContact CG1-CG1 4.23Å; E483-V486 HydrophobicContact CB-CG2 4.22Å; E483-V486 WeakPolarHBondContact O-CB 3.39Å; E483-V486 PolarHBondContact O-N 3.11Å; E483-V486 VanDerWaalsContact O-N 3.1Å; F484-V486 VanDerWaalsContact C-N 3.28Å; F484-V486 PolarHBondContact O-N 3.22Å; V486-Y488 PolarHBondContact O-N 3.37Å; V486-T489 PolarHBondContact O-N 2.96Å; V486-N490 WeakPolarHBondContact O-CB 3.27Å; V486-N490 PolarHBondContact O-N 3.21Å |
| 487 | F | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.1 | -51 | 175.3 | 177.2 | -98.9 | 0 | 0 | 0 | 111.6 | L426 L448 S451 F462 I482 E483 F484 Y491 L492 L515 | L426-F487 HydrophobicContact CD1-CD2 4.06Å; L426-F487 HydrophobicContact CD1-CE2 4.41Å; L448-F487 HydrophobicContact CD2-CE1 4.3Å; L448-F487 HydrophobicContact CD2-CE2 4.08Å; L448-F487 HydrophobicContact CD2-CZ 3.59Å; S451-F487 WeakPolarHBondContact OG-CZ 3.37Å; F462-F487 HydrophobicContact CE1-CB 3.87Å; F462-F487 HydrophobicContact CE1-CD1 4.08Å; F462-F487 HydrophobicContact CE1-CD2 4.23Å; F462-F487 AromaticContact CE1-CG 3.8Å; F462-F487 HydrophobicContact CE1-CG 3.8Å; F462-F487 HydrophobicContact CE2-CD1 4.44Å; F462-F487 HydrophobicContact CZ-CB 4.3Å; F462-F487 AromaticContact CZ-CD1 3.61Å; F462-F487 HydrophobicContact CZ-CD1 3.61Å; F462-F487 HydrophobicContact CZ-CD2 4.19Å; F462-F487 AromaticContact CZ-CE1 3.86Å; F462-F487 HydrophobicContact CZ-CE1 3.86Å; F462-F487 HydrophobicContact CZ-CE2 4.4Å; F462-F487 AromaticContact CZ-CG 3.77Å; F462-F487 HydrophobicContact CZ-CG 3.77Å; F462-F487 HydrophobicContact CZ-CZ 4.22Å; I482-F487 HydrophobicContact CD1-CB 3.86Å; I482-F487 HydrophobicContact CD1-CD2 4.19Å; I482-F487 HydrophobicContact CG1-CB 4.05Å; E483-F487 PolarHBondContact O-N 3.08Å; F484-F487 WeakPolarHBondContact O-CB 3.48Å; F484-F487 PolarHBondContact O-N 2.99Å; F487-Y491 WeakPolarHBondContact O-CB 3.3Å; F487-Y491 PolarHBondContact O-N 3.04Å; F487-Y491 VanDerWaalsContact O-N 3.11Å; F487-L492 HydrophobicContact CE1-CB 4.24Å; F487-L492 HydrophobicContact CE1-CD2 4.44Å; F487-L492 PolarHBondContact O-N 3.32Å; F487-L492 VanDerWaalsContact O-N 3.11Å; F487-L515 HydrophobicContact CE1-CD1 4.3Å |
| 488 | Y | 93.3 | Very high | 87.4 | Confident | 18 Ų | 18 | 54 Ų | 54 | 7% | 0.071 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -62.7 | -52 | -178.7 | -177.7 | -88.4 | 0 | 0 | 0 | 111.7 | F484 V486 L492 K493 M512 L521 Q525 | F484-Y488 HydrophobicContact CZ-CD2 4.14Å; F484-Y488 WeakPolarHBondContact O-CB 3.13Å; F484-Y488 PolarHBondContact O-N 3.32Å; V486-Y488 PolarHBondContact O-N 3.37Å; Y488-L492 HydrophobicContact CD2-CD2 3.83Å; Y488-L492 HydrophobicContact CE2-CD2 4.17Å; Y488-K493 HydrophobicContact CD1-CB 4.43Å; Y488-K493 HydrophobicContact CE1-CB 4.11Å; Y488-K493 HydrophobicContact CE1-CD 3.98Å; Y488-K493 WeakPolarHBondContact O-CB 3.43Å; Y488-K493 PolarHBondContact O-N 3.45Å; Y488-M512 HydrophobicContact CE2-CE 4.41Å; Y488-L521 HydrophobicContact CD2-CD2 4.27Å; Y488-L521 HydrophobicContact CE2-CD2 4.23Å; Y488-Q525 HydrophobicContact CD1-CG 4.2Å; Y488-Q525 HydrophobicContact CD2-CG 4.4Å; Y488-Q525 HydrophobicContact CE1-CB 4.46Å; Y488-Q525 HydrophobicContact CE1-CG 3.65Å; Y488-Q525 HydrophobicContact CE2-CB 3.97Å; Y488-Q525 HydrophobicContact CE2-CG 3.89Å; Y488-Q525 VanDerWaalsContact CZ-CG 3.49Å |
| 489 | T | 93.6 | Very high | 89.1 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 49% | 0.485 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -72.1 | -38.7 | -171.1 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | D485 V486 P494 | D485-T489 WeakPolarHBondContact O-CB 3.48Å; D485-T489 PolarHBondContact O-N 3.18Å; D485-T489 PolarHBondContact O-OG1 3.29Å; V486-T489 PolarHBondContact O-N 2.96Å; T489-P494 VanDerWaalsContact O-CD 3.3Å; T489-P494 WeakPolarHBondContact O-CD 3.46Å; T489-P494 WeakPolarHBondContact O-CG 3.34Å |
| 490 | N | 93.6 | Very high | 90.7 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -96.7 | -24.2 | -171.4 | -65.2 | -14.2 | 0 | 0 | 0 | 113.6 | V486 P494 | V486-N490 WeakPolarHBondContact O-CB 3.27Å; V486-N490 PolarHBondContact O-N 3.21Å; N490-P494 WeakPolarHBondContact O-CG 3.44Å |
| 491 | Y | 95.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -121.3 | -60.1 | -172.5 | -56 | -76.1 | 0 | 0 | 0 | 112.4 | L426 E430 L444 I482 F487 S495 | L426-Y491 HydrophobicContact CB-CD1 4.34Å; L426-Y491 HydrophobicContact CB-CE1 3.85Å; L426-Y491 HydrophobicContact CB-CE2 4.4Å; L426-Y491 HydrophobicContact CD1-CD1 4.39Å; L426-Y491 HydrophobicContact CD1-CD2 3.85Å; L426-Y491 HydrophobicContact CD1-CE1 4.46Å; L426-Y491 HydrophobicContact CD1-CE2 3.89Å; L426-Y491 HydrophobicContact CD1-CG 4.07Å; L426-Y491 HydrophobicContact CD2-CD1 3.72Å; L426-Y491 HydrophobicContact CD2-CE1 4.12Å; L426-Y491 HydrophobicContact CD2-CG 3.94Å; L426-Y491 HydrophobicContact CG-CD1 4.36Å; L426-Y491 HydrophobicContact CG-CE1 4.35Å; L426-Y491 HydrophobicContact CG-CG 4.49Å; E430-Y491 HydrophobicContact CG-CE1 4.32Å; E430-Y491 WeakPolarHBondContact OE1-CE1 3.23Å; E430-Y491 VanDerWaalsContact OE1-CZ 3.23Å; E430-Y491 PolarHBondContact OE1-OH 2.88Å; L444-Y491 HydrophobicContact CD1-CD1 3.92Å; L444-Y491 HydrophobicContact CD1-CG 4.31Å; I482-Y491 HydrophobicContact CD1-CD2 3.92Å; I482-Y491 HydrophobicContact CD1-CE2 3.6Å; F487-Y491 WeakPolarHBondContact O-CB 3.3Å; F487-Y491 PolarHBondContact O-N 3.04Å; F487-Y491 VanDerWaalsContact O-N 3.11Å; Y491-S495 VanDerWaalsContact O-CB 3.28Å; Y491-S495 WeakPolarHBondContact O-CB 3.44Å; Y491-S495 PolarHBondContact O-N 3.25Å; Y491-S495 VanDerWaalsContact O-N 3.14Å; Y491-S495 PolarHBondContact O-OG 3.24Å |
| 492 | L | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -64.2 | -55.2 | -176.1 | 178.5 | 62.2 | 0 | 0 | 0 | 112.1 | L448 F487 Y488 S495 L496 A508 C511 M512 L515 | L448-L492 HydrophobicContact CD2-CB 4.06Å; L448-L492 HydrophobicContact CD2-CD1 3.91Å; F487-L492 HydrophobicContact CE1-CB 4.24Å; F487-L492 HydrophobicContact CE1-CD2 4.44Å; F487-L492 PolarHBondContact O-N 3.32Å; F487-L492 VanDerWaalsContact O-N 3.11Å; Y488-L492 HydrophobicContact CD2-CD2 3.83Å; Y488-L492 HydrophobicContact CE2-CD2 4.17Å; L492-S495 PolarHBondContact O-N 3.08Å; L492-L496 PolarHBondContact O-N 2.96Å; L492-A508 HydrophobicContact CD1-CB 4.18Å; L492-A508 VanDerWaalsContact CD1-O 3.31Å; L492-A508 WeakPolarHBondContact CD1-O 3.17Å; L492-C511 HydrophobicContact CD1-CB 4.04Å; L492-M512 HydrophobicContact CD1-CB 4.48Å; L492-M512 HydrophobicContact CD2-CB 4.44Å; L492-L515 HydrophobicContact CD2-CD1 3.65Å |
| 493 | K | 93.9 | Very high | 92.1 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 55% | 0.548 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | -176.5 | 177.4 | 178 | -177.5 | 174 | 0 | 113.1 | Y488 | Y488-K493 HydrophobicContact CD1-CB 4.43Å; Y488-K493 HydrophobicContact CE1-CB 4.11Å; Y488-K493 HydrophobicContact CE1-CD 3.98Å; Y488-K493 WeakPolarHBondContact O-CB 3.43Å; Y488-K493 PolarHBondContact O-N 3.45Å |
| 494 | P | 95 | Very high | 92.3 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 174 | -28 | 39.8 | 0 | 0 | 0 | 113.1 | T489 N490 L496 G497 | T489-P494 VanDerWaalsContact O-CD 3.3Å; T489-P494 WeakPolarHBondContact O-CD 3.46Å; T489-P494 WeakPolarHBondContact O-CG 3.34Å; N490-P494 WeakPolarHBondContact O-CG 3.44Å; P494-L496 VanDerWaalsContact C-N 3.27Å; P494-L496 PolarHBondContact O-N 3.39Å; P494-G497 PolarHBondContact O-N 2.9Å |
| 495 | S | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -32.4 | -179 | -60.6 | 0 | 0 | 0 | 0 | 113.1 | Y491 L492 G497 Q498 | Y491-S495 VanDerWaalsContact O-CB 3.28Å; Y491-S495 WeakPolarHBondContact O-CB 3.44Å; Y491-S495 PolarHBondContact O-N 3.25Å; Y491-S495 VanDerWaalsContact O-N 3.14Å; Y491-S495 PolarHBondContact O-OG 3.24Å; L492-S495 PolarHBondContact O-N 3.08Å; S495-G497 PolarHBondContact O-N 2.86Å; S495-Q498 PolarHBondContact O-N 2.66Å |
| 496 | L | 92.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.5 | 173.4 | -67.3 | 171 | 0 | 0 | 0 | 113.6 | L492 P494 Q505 A508 L509 M512 L532 | L492-L496 PolarHBondContact O-N 2.96Å; P494-L496 VanDerWaalsContact C-N 3.27Å; P494-L496 PolarHBondContact O-N 3.39Å; L496-Q505 PolarHBondContact O-NE2 3.05Å; L496-A508 HydrophobicContact CD2-CB 3.75Å; L496-A508 HydrophobicContact CG-CB 4.16Å; L496-L509 HydrophobicContact CD2-CB 4.24Å; L496-L509 HydrophobicContact CD2-CD1 4.45Å; L496-M512 HydrophobicContact CD1-SD 3.62Å; L496-L532 HydrophobicContact CD1-CD2 3.73Å; L496-L532 HydrophobicContact CD2-CD2 3.83Å; L496-L532 HydrophobicContact CG-CD2 4.32Å |
| 497 | G | 89.9 | Confident | 92.9 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 61% | 0.608 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -0.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | P494 S495 S499 | P494-G497 PolarHBondContact O-N 2.9Å; S495-G497 PolarHBondContact O-N 2.86Å; G497-S499 PolarHBondContact O-N 3.23Å; G497-S499 VanDerWaalsContact O-N 3.17Å |
| 498 | Q | 88.4 | Confident | 93 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 23% | 0.229 | 25% | 0.245 | C | C | . | . | trans | -87.5 | 79.9 | -175.6 | -68.2 | -170.3 | 15.9 | 0 | 0 | 112 | S495 D500 F501 | S495-Q498 PolarHBondContact O-N 2.66Å; Q498-D500 PolarHBondContact O-N 3.33Å; Q498-D500 VanDerWaalsContact O-N 3.16Å; Q498-F501 HydrophobicContact CB-CD2 4.43Å; Q498-F501 PolarHBondContact O-N 3.42Å | ||
| 499 | S | 86.2 | Confident | 93.1 | Very high | 75 Ų | 75 | 42.8 Ų | 42.8 | 52% | 0.524 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.5 | 179.2 | 55 | 0 | 0 | 0 | 0 | 114.6 | G497 F501 | G497-S499 PolarHBondContact O-N 3.23Å; G497-S499 VanDerWaalsContact O-N 3.17Å; S499-F501 VanDerWaalsContact C-N 3.27Å; S499-F501 PolarHBondContact O-N 2.91Å |
| 500 | D | 88 | Confident | 93.1 | Very high | 141 Ų | 141 | 41.2 Ų | 41.2 | 75% | 0.754 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -19.1 | -179.5 | -61.1 | -24.2 | 0 | 0 | 0 | 112.5 | Q498 | Q498-D500 PolarHBondContact O-N 3.33Å; Q498-D500 VanDerWaalsContact O-N 3.16Å |
| 501 | F | 91.4 | Very high | 93.2 | Very high | 50 Ų | 50 | 37 Ų | 37 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | trans | -122.1 | 79.7 | -178.6 | -58.7 | -74.1 | 0 | 0 | 0 | 110.1 | W440 W441 Q498 S499 F503 L504 Q505 | W440-F501 HydrophobicContact CZ2-CD2 4.37Å; W440-F501 AromaticContact CZ2-CE2 3.77Å; W440-F501 HydrophobicContact CZ2-CE2 3.77Å; W440-F501 HydrophobicContact CZ2-CZ 4.16Å; W440-F501 AromaticContact NE1-CZ 3.72Å; W441-F501 HydrophobicContact CB-CD1 4.11Å; W441-F501 HydrophobicContact CB-CE1 4.36Å; W441-F501 HydrophobicContact CB-CG 4.26Å; W441-F501 AromaticContact CD1-CD1 3.34Å; W441-F501 AromaticContact CD1-CE1 3.25Å; W441-F501 AromaticContact CD2-CD1 3.87Å; W441-F501 HydrophobicContact CD2-CD1 3.87Å; W441-F501 HydrophobicContact CD2-CG 4.43Å; W441-F501 AromaticContact CE2-CD1 3.92Å; W441-F501 AromaticContact CG-CD1 3.51Å; W441-F501 HydrophobicContact CG-CD1 3.51Å; W441-F501 AromaticContact CG-CE1 3.83Å; W441-F501 HydrophobicContact CG-CE1 3.83Å; W441-F501 HydrophobicContact CG-CG 4.08Å; W441-F501 AromaticContact NE1-CD1 3.58Å; W441-F501 AromaticContact NE1-CE1 3.69Å; Q498-F501 HydrophobicContact CB-CD2 4.43Å; Q498-F501 PolarHBondContact O-N 3.42Å; S499-F501 VanDerWaalsContact C-N 3.27Å; S499-F501 PolarHBondContact O-N 2.91Å; F501-F503 VanDerWaalsContact C-N 3.34Å; F501-F503 PolarHBondContact O-N 3.47Å; F501-L504 HydrophobicContact CB-CB 3.81Å; F501-L504 HydrophobicContact CB-CD2 4.23Å; F501-L504 WeakPolarHBondContact O-CB 3.42Å; F501-L504 PolarHBondContact O-N 2.63Å; F501-L504 VanDerWaalsContact O-N 3.12Å; F501-Q505 PolarHBondContact O-N 3.28Å | ||
| 502 | L | 92.7 | Very high | 93.1 | Very high | 71 Ų | 71 | 36.1 Ų | 36.1 | 37% | 0.372 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.2 | -45.4 | -171.7 | -63.2 | 175.6 | 0 | 0 | 0 | 113.7 | Q505 A506 | L502-Q505 PolarHBondContact O-N 2.76Å; L502-A506 WeakPolarHBondContact O-CB 3.24Å; L502-A506 PolarHBondContact O-N 3.2Å |
| 503 | F | 94 | Very high | 93 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.1 | -35.8 | -179.2 | -62.4 | -80.1 | 0 | 0 | 0 | 112.6 | L369 L374 W377 W441 F501 Q505 A506 T507 I544 | L369-F503 HydrophobicContact CD1-CB 4.13Å; L374-F503 HydrophobicContact CB-CE2 4.22Å; L374-F503 HydrophobicContact CD2-CB 4.37Å; L374-F503 HydrophobicContact CD2-CD1 4.15Å; L374-F503 HydrophobicContact CD2-CD2 3.53Å; L374-F503 HydrophobicContact CD2-CE1 4.3Å; L374-F503 HydrophobicContact CD2-CE2 3.69Å; L374-F503 HydrophobicContact CD2-CG 3.75Å; L374-F503 HydrophobicContact CD2-CZ 4.07Å; L374-F503 HydrophobicContact CG-CE2 4.49Å; W377-F503 HydrophobicContact CB-CE1 3.83Å; W377-F503 HydrophobicContact CB-CZ 4.09Å; W377-F503 HydrophobicContact CD2-CE1 4.43Å; W377-F503 AromaticContact CE3-CD1 3.85Å; W377-F503 HydrophobicContact CE3-CD1 3.85Å; W377-F503 AromaticContact CE3-CE1 3.65Å; W377-F503 HydrophobicContact CE3-CE1 3.65Å; W377-F503 HydrophobicContact CZ3-CD1 4.37Å; W441-F503 HydrophobicContact CH2-CB 4.23Å; W441-F503 HydrophobicContact CZ3-CB 4.1Å; F501-F503 VanDerWaalsContact C-N 3.34Å; F501-F503 PolarHBondContact O-N 3.47Å; F503-Q505 VanDerWaalsContact C-N 3.34Å; F503-A506 PolarHBondContact O-N 2.91Å; F503-T507 WeakPolarHBondContact O-CB 3.31Å; F503-T507 PolarHBondContact O-N 3.28Å; F503-T507 PolarHBondContact O-OG1 2.89Å; F503-T507 VanDerWaalsContact O-OG1 3.08Å; F503-I544 HydrophobicContact CD1-CD1 4.31Å; F503-I544 HydrophobicContact CD1-CG2 4.1Å; F503-I544 HydrophobicContact CE1-CD1 3.5Å; F503-I544 VanDerWaalsContact CE1-CD1 3.5Å; F503-I544 HydrophobicContact CE1-CG1 4.27Å; F503-I544 HydrophobicContact CE1-CG2 4.13Å; F503-I544 HydrophobicContact CE2-CD1 4.2Å; F503-I544 HydrophobicContact CZ-CD1 3.45Å; F503-I544 VanDerWaalsContact CZ-CD1 3.45Å |
| 504 | L | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 171.7 | 172.4 | 62.1 | 0 | 0 | 0 | 110.9 | W441 L444 E445 L448 F501 T507 A508 | W441-L504 HydrophobicContact CB-CD2 4.19Å; W441-L504 HydrophobicContact CE3-CB 3.96Å; W441-L504 HydrophobicContact CZ3-CB 4.49Å; L444-L504 HydrophobicContact CB-CD1 4.4Å; L444-L504 HydrophobicContact CD2-CD1 4.17Å; L444-L504 HydrophobicContact CD2-CD2 3.92Å; L444-L504 HydrophobicContact CG-CD1 3.86Å; L444-L504 HydrophobicContact CG-CD2 4.47Å; E445-L504 HydrophobicContact CB-CD1 3.97Å; L448-L504 HydrophobicContact CD1-CD1 3.64Å; F501-L504 HydrophobicContact CB-CB 3.81Å; F501-L504 HydrophobicContact CB-CD2 4.23Å; F501-L504 WeakPolarHBondContact O-CB 3.42Å; F501-L504 PolarHBondContact O-N 2.63Å; F501-L504 VanDerWaalsContact O-N 3.12Å; L504-T507 PolarHBondContact O-N 3.39Å; L504-A508 VanDerWaalsContact O-CB 3.26Å; L504-A508 WeakPolarHBondContact O-CB 3.25Å; L504-A508 PolarHBondContact O-N 3.5Å |
| 505 | Q | 95.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 178.6 | -169.5 | -179.4 | 28.4 | 0 | 0 | 111.7 | L496 F501 L502 F503 A508 L509 L545 | L496-Q505 PolarHBondContact O-NE2 3.05Å; F501-Q505 PolarHBondContact O-N 3.28Å; L502-Q505 PolarHBondContact O-N 2.76Å; F503-Q505 VanDerWaalsContact C-N 3.34Å; Q505-A508 PolarHBondContact O-N 3.29Å; Q505-L509 PolarHBondContact O-N 3.41Å; Q505-L545 HydrophobicContact CG-CD1 4.04Å; Q505-L545 HydrophobicContact CG-CD2 4.37Å |
| 506 | A | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L502 F503 A508 L509 R510 I544 S548 | L502-A506 WeakPolarHBondContact O-CB 3.24Å; L502-A506 PolarHBondContact O-N 3.2Å; F503-A506 PolarHBondContact O-N 2.91Å; A506-A508 PolarHBondContact O-N 2.93Å; A506-L509 WeakPolarHBondContact O-CB 3.32Å; A506-L509 PolarHBondContact O-N 3.4Å; A506-R510 PolarHBondContact O-N 2.92Å; A506-I544 HydrophobicContact CB-CG2 3.97Å; A506-S548 WeakPolarHBondContact CB-OG 3.46Å |
| 507 | T | 95 | Very high | 92 | Very high | 17 Ų | 17 | 30 Ų | 30 | 10% | 0.104 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | E445 L448 F449 F503 L504 L509 R510 C511 | E445-T507 HydrophobicContact CG-CG2 4.2Å; E445-T507 WeakPolarHBondContact OE1-CB 3.46Å; E445-T507 VanDerWaalsContact OE1-CG2 3.3Å; E445-T507 WeakPolarHBondContact OE1-CG2 3.24Å; E445-T507 PolarHBondContact OE1-OG1 3.29Å; L448-T507 HydrophobicContact CB-CG2 4.06Å; F449-T507 HydrophobicContact CB-CG2 3.77Å; F503-T507 WeakPolarHBondContact O-CB 3.31Å; F503-T507 PolarHBondContact O-N 3.28Å; F503-T507 PolarHBondContact O-OG1 2.89Å; F503-T507 VanDerWaalsContact O-OG1 3.08Å; L504-T507 PolarHBondContact O-N 3.39Å; T507-L509 VanDerWaalsContact C-N 3.29Å; T507-L509 PolarHBondContact O-N 3.2Å; T507-R510 PolarHBondContact O-N 2.84Å; T507-C511 VanDerWaalsContact O-CB 3.26Å; T507-C511 WeakPolarHBondContact O-CB 3.38Å; T507-C511 PolarHBondContact O-N 3.49Å |
| 508 | A | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L448 L492 L496 L504 Q505 A506 C511 M512 | L448-A508 HydrophobicContact CD1-CB 3.95Å; L492-A508 HydrophobicContact CD1-CB 4.18Å; L492-A508 VanDerWaalsContact CD1-O 3.31Å; L492-A508 WeakPolarHBondContact CD1-O 3.17Å; L496-A508 HydrophobicContact CD2-CB 3.75Å; L496-A508 HydrophobicContact CG-CB 4.16Å; L504-A508 VanDerWaalsContact O-CB 3.26Å; L504-A508 WeakPolarHBondContact O-CB 3.25Å; L504-A508 PolarHBondContact O-N 3.5Å; Q505-A508 PolarHBondContact O-N 3.29Å; A506-A508 PolarHBondContact O-N 2.93Å; A508-C511 PolarHBondContact O-N 3.38Å; A508-M512 WeakPolarHBondContact O-CB 3.24Å; A508-M512 PolarHBondContact O-N 2.92Å |
| 509 | L | 95.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -47.1 | 175.7 | -174.5 | 64.2 | 0 | 0 | 0 | 111.5 | L496 Q505 A506 T507 M512 S513 F529 L532 L533 A536 L545 A549 | L496-L509 HydrophobicContact CD2-CB 4.24Å; L496-L509 HydrophobicContact CD2-CD1 4.45Å; Q505-L509 PolarHBondContact O-N 3.41Å; A506-L509 WeakPolarHBondContact O-CB 3.32Å; A506-L509 PolarHBondContact O-N 3.4Å; T507-L509 VanDerWaalsContact C-N 3.29Å; T507-L509 PolarHBondContact O-N 3.2Å; L509-M512 PolarHBondContact O-N 2.89Å; L509-S513 PolarHBondContact O-N 3.46Å; L509-F529 HydrophobicContact CD1-CE2 4.25Å; L509-L532 HydrophobicContact CD1-CD2 3.47Å; L509-L532 VanDerWaalsContact CD1-CD2 3.47Å; L509-L532 HydrophobicContact CD1-CG 3.71Å; L509-L533 HydrophobicContact CD1-CD2 3.97Å; L509-L533 HydrophobicContact CD2-CD2 4.25Å; L509-L533 HydrophobicContact CG-CD2 4.24Å; L509-A536 HydrophobicContact CD2-CB 3.68Å; L509-L545 HydrophobicContact CD2-CD1 3.99Å; L509-A549 HydrophobicContact CD2-CB 3.63Å |
| 510 | R | 93.4 | Very high | 91.4 | Very high | 46 Ų | 46 | 27.8 Ų | 27.8 | 17% | 0.174 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.5 | -76.3 | -133.6 | 64.4 | 133.4 | 11.8 | 112.7 | A506 T507 M512 S513 H514 | A506-R510 PolarHBondContact O-N 2.92Å; T507-R510 PolarHBondContact O-N 2.84Å; R510-M512 VanDerWaalsContact C-N 3.32Å; R510-M512 PolarHBondContact O-N 3.35Å; R510-S513 WeakPolarHBondContact O-CA 3.39Å; R510-S513 WeakPolarHBondContact O-CB 3.05Å; R510-S513 PolarHBondContact O-N 3.32Å; R510-S513 VanDerWaalsContact O-N 3.09Å; R510-H514 PolarHBondContact NE-NE2 2.93Å; R510-H514 PolarHBondContact NH2-CE1 3.13Å; R510-H514 PolarHBondContact NH2-NE2 2.61Å; R510-H514 PolarHBondContact O-CD2 2.87Å; R510-H514 PolarHBondContact O-N 2.98Å |
| 511 | C | 94.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.9 | -46 | 175.3 | -177 | 0 | 0 | 0 | 0 | 110.8 | L448 L492 T507 A508 S513 H514 L515 | L448-C511 HydrophobicContact CB-CB 4.2Å; L448-C511 WeakPolarHBondContact O-CB 3.47Å; L448-C511 PolarHBondContact O-SG 3.46Å; L492-C511 HydrophobicContact CD1-CB 4.04Å; T507-C511 VanDerWaalsContact O-CB 3.26Å; T507-C511 WeakPolarHBondContact O-CB 3.38Å; T507-C511 PolarHBondContact O-N 3.49Å; A508-C511 PolarHBondContact O-N 3.38Å; C511-S513 VanDerWaalsContact C-N 3.29Å; C511-S513 PolarHBondContact O-N 3.46Å; C511-H514 PolarHBondContact O-N 3.04Å; C511-L515 WeakPolarHBondContact O-CB 3.39Å; C511-L515 VanDerWaalsContact O-CG 3.23Å; C511-L515 WeakPolarHBondContact O-CG 3.3Å; C511-L515 PolarHBondContact O-N 3.07Å |
| 512 | M | 94 | Very high | 90.8 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 175.2 | -168.9 | 171.5 | -171.8 | 0 | 0 | 112.1 | Y488 L492 L496 A508 L509 R510 L515 Y516 L521 Q525 F529 L532 | Y488-M512 HydrophobicContact CE2-CE 4.41Å; L492-M512 HydrophobicContact CD1-CB 4.48Å; L492-M512 HydrophobicContact CD2-CB 4.44Å; L496-M512 HydrophobicContact CD1-SD 3.62Å; A508-M512 WeakPolarHBondContact O-CB 3.24Å; A508-M512 PolarHBondContact O-N 2.92Å; L509-M512 PolarHBondContact O-N 2.89Å; R510-M512 VanDerWaalsContact C-N 3.32Å; R510-M512 PolarHBondContact O-N 3.35Å; M512-L515 PolarHBondContact O-N 2.81Å; M512-Y516 VanDerWaalsContact O-CB 3.28Å; M512-Y516 WeakPolarHBondContact O-CB 3.43Å; M512-Y516 PolarHBondContact O-N 3.38Å; M512-L521 HydrophobicContact CE-CD1 4.13Å; M512-L521 HydrophobicContact CG-CD1 4.04Å; M512-Q525 WeakPolarHBondContact CE-O 3.44Å; M512-F529 HydrophobicContact CB-CD2 4.41Å; M512-F529 HydrophobicContact CB-CE2 4.26Å; M512-F529 HydrophobicContact CE-CB 4.2Å; M512-F529 HydrophobicContact CE-CD2 4.31Å; M512-F529 HydrophobicContact CG-CD2 3.8Å; M512-F529 HydrophobicContact CG-CE2 4.12Å; M512-F529 HydrophobicContact SD-CD2 3.89Å; M512-L532 HydrophobicContact SD-CD2 3.55Å; M512-L532 VanDerWaalsContact SD-CD2 3.55Å |
| 513 | S | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.1 | -49.9 | 174.9 | -159 | 0 | 0 | 0 | 0 | 112.4 | L509 R510 C511 Y516 E517 F529 S552 T555 | L509-S513 PolarHBondContact O-N 3.46Å; R510-S513 WeakPolarHBondContact O-CA 3.39Å; R510-S513 WeakPolarHBondContact O-CB 3.05Å; R510-S513 PolarHBondContact O-N 3.32Å; R510-S513 VanDerWaalsContact O-N 3.09Å; C511-S513 VanDerWaalsContact C-N 3.29Å; C511-S513 PolarHBondContact O-N 3.46Å; S513-Y516 WeakPolarHBondContact O-CB 3.32Å; S513-Y516 PolarHBondContact O-N 3.07Å; S513-E517 PolarHBondContact O-N 3.1Å; S513-F529 VanDerWaalsContact CA-CZ 3.44Å; S513-S552 WeakPolarHBondContact OG-CA 3.3Å; S513-S552 WeakPolarHBondContact OG-CB 3.31Å; S513-S552 PolarHBondContact OG-O 3.18Å; S513-T555 WeakPolarHBondContact OG-CG2 3.11Å; S513-T555 PolarHBondContact OG-OG1 3.47Å |
| 514 | H | 91.3 | Very high | 89.8 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.8 | -35.6 | -179.4 | -63.1 | -54.2 | 0 | 0 | 0 | 112.7 | G452 A455 S456 R510 C511 Y516 E517 A518 | G452-H514 WeakPolarHBondContact O-CB 3.15Å; A455-H514 HydrophobicContact CB-CB 4.39Å; S456-H514 WeakPolarHBondContact CB-ND1 3.22Å; R510-H514 PolarHBondContact NE-NE2 2.93Å; R510-H514 PolarHBondContact NH2-CE1 3.13Å; R510-H514 PolarHBondContact NH2-NE2 2.61Å; R510-H514 PolarHBondContact O-CD2 2.87Å; R510-H514 PolarHBondContact O-N 2.98Å; C511-H514 PolarHBondContact O-N 3.04Å; H514-Y516 VanDerWaalsContact C-N 3.3Å; H514-Y516 PolarHBondContact O-N 3.06Å; H514-E517 IonicContact ND1-OE2 3.84Å; H514-E517 PolarHBondContact O-N 3.07Å; H514-A518 VanDerWaalsContact O-CB 3.28Å; H514-A518 WeakPolarHBondContact O-CB 3.14Å; H514-A518 PolarHBondContact O-N 3.25Å |
| 515 | L | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -32.9 | 172.5 | -67.6 | 169.5 | 0 | 0 | 0 | 112.4 | A455 F462 F484 F487 L492 C511 M512 N519 I520 L521 | A455-L515 HydrophobicContact CB-CD2 3.85Å; A455-L515 HydrophobicContact CB-CG 4.48Å; F462-L515 HydrophobicContact CE2-CD2 4.23Å; F484-L515 HydrophobicContact CE2-CD1 4.22Å; F484-L515 HydrophobicContact CE2-CD2 4.45Å; F487-L515 HydrophobicContact CE1-CD1 4.3Å; L492-L515 HydrophobicContact CD2-CD1 3.65Å; C511-L515 WeakPolarHBondContact O-CB 3.39Å; C511-L515 VanDerWaalsContact O-CG 3.23Å; C511-L515 WeakPolarHBondContact O-CG 3.3Å; C511-L515 PolarHBondContact O-N 3.07Å; M512-L515 PolarHBondContact O-N 2.81Å; L515-N519 PolarHBondContact O-N 3.47Å; L515-I520 HydrophobicContact CD2-CB 4.19Å; L515-I520 HydrophobicContact CD2-CD1 3.87Å; L515-I520 HydrophobicContact CD2-CG2 4.18Å; L515-I520 PolarHBondContact O-N 2.74Å; L515-L521 HydrophobicContact CB-CD2 3.7Å; L515-L521 HydrophobicContact CB-CG 4Å; L515-L521 HydrophobicContact CD1-CD2 4.28Å |
| 516 | Y | 88.8 | Confident | 88.8 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67 | -47.6 | 174.3 | -179.4 | -83.2 | 0 | 0 | 0 | 110.7 | M512 S513 H514 A518 N519 L521 A526 F529 T555 N559 F581 | M512-Y516 VanDerWaalsContact O-CB 3.28Å; M512-Y516 WeakPolarHBondContact O-CB 3.43Å; M512-Y516 PolarHBondContact O-N 3.38Å; S513-Y516 WeakPolarHBondContact O-CB 3.32Å; S513-Y516 PolarHBondContact O-N 3.07Å; H514-Y516 VanDerWaalsContact C-N 3.3Å; H514-Y516 PolarHBondContact O-N 3.06Å; Y516-A518 PolarHBondContact O-N 2.96Å; Y516-N519 PolarHBondContact O-N 2.82Å; Y516-L521 HydrophobicContact CD2-CD1 4.19Å; Y516-A526 HydrophobicContact CD2-CB 3.97Å; Y516-A526 HydrophobicContact CE2-CB 3.84Å; Y516-F529 HydrophobicContact CD1-CD1 4.2Å; Y516-F529 HydrophobicContact CD1-CE1 4.27Å; Y516-F529 HydrophobicContact CD2-CB 4.15Å; Y516-F529 AromaticContact CD2-CD1 3.69Å; Y516-F529 HydrophobicContact CD2-CD1 3.69Å; Y516-F529 HydrophobicContact CD2-CE1 4.46Å; Y516-F529 HydrophobicContact CD2-CG 4.17Å; Y516-F529 HydrophobicContact CE2-CB 4.41Å; Y516-F529 HydrophobicContact CE2-CD1 4.06Å; Y516-F529 AromaticContact CG-CD1 3.78Å; Y516-F529 HydrophobicContact CG-CD1 3.78Å; Y516-F529 HydrophobicContact CG-CE1 4.09Å; Y516-T555 WeakPolarHBondContact CE1-O 3.23Å; Y516-N559 HydrophobicContact CE1-CB 4.34Å; Y516-N559 WeakPolarHBondContact CE1-ND2 3.45Å; Y516-N559 VanDerWaalsContact CZ-ND2 3.32Å; Y516-N559 PolarHBondContact OH-ND2 3.18Å; Y516-F581 HydrophobicContact CE2-CE1 4.4Å; Y516-F581 HydrophobicContact CE2-CZ 4.39Å; Y516-F581 WeakPolarHBondContact OH-CE1 3.41Å |
| 517 | E | 85.2 | Confident | 88.5 | Confident | 57 Ų | 57 | 30.1 Ų | 30.1 | 27% | 0.266 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.1 | -43 | 176.5 | 171.9 | 167.2 | -139 | 0 | 0 | 112.8 | S513 H514 N519 T555 A558 N562 | S513-E517 PolarHBondContact O-N 3.1Å; H514-E517 IonicContact ND1-OE2 3.84Å; H514-E517 PolarHBondContact O-N 3.07Å; E517-N519 PolarHBondContact O-N 2.62Å; E517-T555 HydrophobicContact CB-CG2 4.05Å; E517-A558 HydrophobicContact CB-CB 4.12Å; E517-A558 HydrophobicContact CG-CB 3.73Å; E517-N562 PolarHBondContact O-ND2 2.9Å |
| 518 | A | 83.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 32.7 Ų | 32.7 | 25% | 0.248 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 2.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A455 H514 Y516 I520 | A455-A518 HydrophobicContact CB-CB 3.98Å; A455-A518 VanDerWaalsContact O-CB 3.31Å; A455-A518 WeakPolarHBondContact O-CB 3.33Å; H514-A518 VanDerWaalsContact O-CB 3.28Å; H514-A518 WeakPolarHBondContact O-CB 3.14Å; H514-A518 PolarHBondContact O-N 3.25Å; Y516-A518 PolarHBondContact O-N 2.96Å; A518-I520 VanDerWaalsContact C-N 3.26Å; A518-I520 HydrophobicContact CB-CD1 3.9Å; A518-I520 HydrophobicContact CB-CG1 3.97Å; A518-I520 PolarHBondContact O-N 3.29Å |
| 519 | N | 82.9 | Confident | 87.8 | Confident | 77 Ų | 77 | 32.7 Ų | 32.7 | 41% | 0.412 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.1 | -176.4 | -78.9 | -72 | 0 | 0 | 0 | 114.7 | L515 Y516 E517 N559 | L515-N519 PolarHBondContact O-N 3.47Å; Y516-N519 PolarHBondContact O-N 2.82Å; E517-N519 PolarHBondContact O-N 2.62Å; N519-N559 VanDerWaalsContact CG-OD1 3.24Å; N519-N559 PolarHBondContact ND2-OD1 3.02Å; N519-N559 VanDerWaalsContact ND2-OD1 3.15Å; N519-N559 PolarHBondContact OD1-OD1 3.29Å |
| 520 | I | 84.6 | Confident | 87.6 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | trans | -88.9 | -31.4 | 178.8 | -61.9 | 174.3 | 0 | 0 | 0 | 111.4 | A455 N460 F462 F484 L515 A518 | A455-I520 HydrophobicContact CB-CD1 4.04Å; N460-I520 HydrophobicContact CB-CD1 4.24Å; F462-I520 HydrophobicContact CD2-CG2 4.45Å; F484-I520 HydrophobicContact CD2-CG2 3.82Å; F484-I520 HydrophobicContact CE1-CG2 4.42Å; F484-I520 HydrophobicContact CE2-CG2 3.69Å; F484-I520 HydrophobicContact CG-CG2 4.27Å; F484-I520 HydrophobicContact CZ-CG2 4.04Å; L515-I520 HydrophobicContact CD2-CB 4.19Å; L515-I520 HydrophobicContact CD2-CD1 3.87Å; L515-I520 HydrophobicContact CD2-CG2 4.18Å; L515-I520 PolarHBondContact O-N 2.74Å; A518-I520 VanDerWaalsContact C-N 3.26Å; A518-I520 HydrophobicContact CB-CD1 3.9Å; A518-I520 HydrophobicContact CB-CG1 3.97Å; A518-I520 PolarHBondContact O-N 3.29Å | ||
| 521 | L | 85.3 | Confident | 87.5 | Confident | 21 Ų | 21 | 32 Ų | 32 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -67 | 141.3 | 179.6 | -57 | -174.3 | 0 | 0 | 0 | 111.6 | F484 Y488 M512 L515 Y516 Q525 A526 | F484-L521 HydrophobicContact CE2-CD2 4.39Å; F484-L521 HydrophobicContact CZ-CD2 3.66Å; Y488-L521 HydrophobicContact CD2-CD2 4.27Å; Y488-L521 HydrophobicContact CE2-CD2 4.23Å; M512-L521 HydrophobicContact CE-CD1 4.13Å; M512-L521 HydrophobicContact CG-CD1 4.04Å; L515-L521 HydrophobicContact CB-CD2 3.7Å; L515-L521 HydrophobicContact CB-CG 4Å; L515-L521 HydrophobicContact CD1-CD2 4.28Å; Y516-L521 HydrophobicContact CD2-CD1 4.19Å; L521-Q525 HydrophobicContact CB-CB 4.19Å; L521-A526 HydrophobicContact CB-CB 4.36Å |
| 522 | D | 83 | Confident | 87.4 | Confident | 65 Ų | 65 | 33.9 Ų | 33.9 | 35% | 0.348 | 19% | 0.19 | S | C | . | . | trans | -69.1 | 164.5 | 169.2 | 79.4 | 40.8 | 0 | 0 | 0 | 111.6 | S524 Q525 A526 | D522-S524 VanDerWaalsContact C-N 3.28Å; D522-S524 PolarHBondContact O-N 3.02Å; D522-S524 VanDerWaalsContact OD1-CA 3.32Å; D522-S524 WeakPolarHBondContact OD1-CA 3.43Å; D522-S524 WeakPolarHBondContact OD1-CB 3.25Å; D522-S524 PolarHBondContact OD1-N 2.89Å; D522-S524 PolarHBondContact OD1-OG 3.34Å; D522-Q525 VanDerWaalsContact CG-CD 3.42Å; D522-Q525 VanDerWaalsContact CG-CG 3.45Å; D522-Q525 PolarHBondContact O-N 3.44Å; D522-Q525 VanDerWaalsContact OD1-CG 3.26Å; D522-Q525 WeakPolarHBondContact OD1-CG 3.42Å; D522-Q525 PolarHBondContact OD1-N 2.89Å; D522-Q525 WeakPolarHBondContact OD2-CG 3.27Å; D522-Q525 PolarHBondContact OD2-NE2 2.84Å; D522-A526 WeakPolarHBondContact O-CB 3.49Å; D522-A526 PolarHBondContact O-N 3.18Å | ||
| 523 | E | 81.1 | Confident | 87.4 | Confident | 122 Ų | 122 | 33.7 Ų | 33.7 | 57% | 0.57 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -57.2 | -40.7 | -177.9 | -162 | -171.9 | 159.5 | 0 | 0 | 112.2 | Q525 A526 Q527 F581 | E523-Q525 PolarHBondContact O-N 3.44Å; E523-A526 PolarHBondContact O-N 3.19Å; E523-Q527 WeakPolarHBondContact O-CG 3.43Å; E523-Q527 PolarHBondContact O-N 2.92Å; E523-Q527 PolarHBondContact OE1-NE2 2.92Å; E523-F581 HydrophobicContact CG-CD2 4.02Å; E523-F581 HydrophobicContact CG-CE2 4.03Å |
| 524 | S | 83.7 | Confident | 87.4 | Confident | 72 Ų | 72 | 34 Ų | 34 | 50% | 0.503 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.2 | -34.7 | -178.8 | 76 | 0 | 0 | 0 | 0 | 113.1 | D522 | D522-S524 VanDerWaalsContact C-N 3.28Å; D522-S524 PolarHBondContact O-N 3.02Å; D522-S524 VanDerWaalsContact OD1-CA 3.32Å; D522-S524 WeakPolarHBondContact OD1-CA 3.43Å; D522-S524 WeakPolarHBondContact OD1-CB 3.25Å; D522-S524 PolarHBondContact OD1-N 2.89Å; D522-S524 PolarHBondContact OD1-OG 3.34Å |
| 525 | Q | 86.2 | Confident | 87.5 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.9 | -42.9 | 176.6 | -64.5 | 169.8 | 9.3 | 0 | 0 | 110.6 | F484 Y488 M512 L521 D522 E523 Q527 C528 | F484-Q525 VanDerWaalsContact CE1-OE1 3.29Å; Y488-Q525 HydrophobicContact CD1-CG 4.2Å; Y488-Q525 HydrophobicContact CD2-CG 4.4Å; Y488-Q525 HydrophobicContact CE1-CB 4.46Å; Y488-Q525 HydrophobicContact CE1-CG 3.65Å; Y488-Q525 HydrophobicContact CE2-CB 3.97Å; Y488-Q525 HydrophobicContact CE2-CG 3.89Å; Y488-Q525 VanDerWaalsContact CZ-CG 3.49Å; M512-Q525 WeakPolarHBondContact CE-O 3.44Å; L521-Q525 HydrophobicContact CB-CB 4.19Å; D522-Q525 VanDerWaalsContact CG-CD 3.42Å; D522-Q525 VanDerWaalsContact CG-CG 3.45Å; D522-Q525 PolarHBondContact O-N 3.44Å; D522-Q525 VanDerWaalsContact OD1-CG 3.26Å; D522-Q525 WeakPolarHBondContact OD1-CG 3.42Å; D522-Q525 PolarHBondContact OD1-N 2.89Å; D522-Q525 WeakPolarHBondContact OD2-CG 3.27Å; D522-Q525 PolarHBondContact OD2-NE2 2.84Å; E523-Q525 PolarHBondContact O-N 3.44Å; Q525-Q527 VanDerWaalsContact C-N 3.33Å; Q525-Q527 PolarHBondContact O-N 2.97Å; Q525-C528 PolarHBondContact O-N 3.07Å |
| 526 | A | 84.5 | Confident | 87.6 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -35.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y516 L521 D522 E523 C528 F529 F581 | Y516-A526 HydrophobicContact CD2-CB 3.97Å; Y516-A526 HydrophobicContact CE2-CB 3.84Å; L521-A526 HydrophobicContact CB-CB 4.36Å; D522-A526 WeakPolarHBondContact O-CB 3.49Å; D522-A526 PolarHBondContact O-N 3.18Å; E523-A526 PolarHBondContact O-N 3.19Å; A526-C528 VanDerWaalsContact C-N 3.25Å; A526-C528 PolarHBondContact O-N 3.18Å; A526-F529 WeakPolarHBondContact O-CB 3.47Å; A526-F529 PolarHBondContact O-N 2.9Å; A526-F529 VanDerWaalsContact O-N 3.17Å; A526-F581 HydrophobicContact CB-CE2 4.09Å; A526-F581 HydrophobicContact CB-CZ 3.72Å |
| 527 | Q | 86.4 | Confident | 87.8 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -31.1 | 179.1 | -76.5 | 168.9 | 23.4 | 0 | 0 | 114 | E523 Q525 F581 Y585 | E523-Q527 WeakPolarHBondContact O-CG 3.43Å; E523-Q527 PolarHBondContact O-N 2.92Å; E523-Q527 PolarHBondContact OE1-NE2 2.92Å; Q525-Q527 VanDerWaalsContact C-N 3.33Å; Q525-Q527 PolarHBondContact O-N 2.97Å; Q527-F581 HydrophobicContact CG-CE2 3.88Å; Q527-Y585 HydrophobicContact CB-CD1 3.89Å; Q527-Y585 HydrophobicContact CB-CE1 4.1Å; Q527-Y585 HydrophobicContact CB-CG 4.24Å; Q527-Y585 HydrophobicContact CG-CD1 3.53Å; Q527-Y585 HydrophobicContact CG-CD2 3.71Å; Q527-Y585 HydrophobicContact CG-CE1 3.47Å; Q527-Y585 VanDerWaalsContact CG-CE1 3.47Å; Q527-Y585 HydrophobicContact CG-CE2 3.7Å; Q527-Y585 HydrophobicContact CG-CG 3.64Å; Q527-Y585 VanDerWaalsContact NE2-CZ 3.28Å; Q527-Y585 PolarHBondContact NE2-OH 3.47Å; Q527-Y585 VanDerWaalsContact NE2-OH 3.13Å |
| 528 | C | 87.2 | Confident | 88.1 | Confident | 71 Ų | 71 | 36.7 Ų | 36.7 | 48% | 0.48 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.1 | -179.2 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | Q525 A526 S531 L532 | Q525-C528 PolarHBondContact O-N 3.07Å; A526-C528 VanDerWaalsContact C-N 3.25Å; A526-C528 PolarHBondContact O-N 3.18Å; C528-S531 PolarHBondContact O-N 2.71Å; C528-S531 PolarHBondContact O-OG 3.42Å; C528-L532 PolarHBondContact O-N 3.25Å; C528-L532 VanDerWaalsContact O-N 3.1Å |
| 529 | F | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | -169.1 | -175 | -122.4 | 0 | 0 | 0 | 114.2 | L509 M512 S513 Y516 A526 S531 L532 L533 L556 | L509-F529 HydrophobicContact CD1-CE2 4.25Å; M512-F529 HydrophobicContact CB-CD2 4.41Å; M512-F529 HydrophobicContact CB-CE2 4.26Å; M512-F529 HydrophobicContact CE-CB 4.2Å; M512-F529 HydrophobicContact CE-CD2 4.31Å; M512-F529 HydrophobicContact CG-CD2 3.8Å; M512-F529 HydrophobicContact CG-CE2 4.12Å; M512-F529 HydrophobicContact SD-CD2 3.89Å; S513-F529 VanDerWaalsContact CA-CZ 3.44Å; Y516-F529 HydrophobicContact CD1-CD1 4.2Å; Y516-F529 HydrophobicContact CD1-CE1 4.27Å; Y516-F529 HydrophobicContact CD2-CB 4.15Å; Y516-F529 AromaticContact CD2-CD1 3.69Å; Y516-F529 HydrophobicContact CD2-CD1 3.69Å; Y516-F529 HydrophobicContact CD2-CE1 4.46Å; Y516-F529 HydrophobicContact CD2-CG 4.17Å; Y516-F529 HydrophobicContact CE2-CB 4.41Å; Y516-F529 HydrophobicContact CE2-CD1 4.06Å; Y516-F529 AromaticContact CG-CD1 3.78Å; Y516-F529 HydrophobicContact CG-CD1 3.78Å; Y516-F529 HydrophobicContact CG-CE1 4.09Å; A526-F529 WeakPolarHBondContact O-CB 3.47Å; A526-F529 PolarHBondContact O-N 2.9Å; A526-F529 VanDerWaalsContact O-N 3.17Å; F529-S531 VanDerWaalsContact C-N 3.29Å; F529-S531 PolarHBondContact O-N 2.87Å; F529-L532 HydrophobicContact CD2-CD2 4.37Å; F529-L532 WeakPolarHBondContact O-CB 3.31Å; F529-L532 PolarHBondContact O-N 2.99Å; F529-L532 VanDerWaalsContact O-N 3.09Å; F529-L533 HydrophobicContact CD1-CD1 4.08Å; F529-L533 HydrophobicContact CD2-CG 4.39Å; F529-L533 HydrophobicContact CE1-CD1 3.62Å; F529-L533 HydrophobicContact CE1-CG 4.3Å; F529-L533 HydrophobicContact CE2-CD1 4.23Å; F529-L533 HydrophobicContact CE2-CD2 4.01Å; F529-L533 HydrophobicContact CE2-CG 4.01Å; F529-L533 HydrophobicContact CZ-CD1 3.69Å; F529-L533 HydrophobicContact CZ-CD2 3.92Å; F529-L533 HydrophobicContact CZ-CG 3.94Å; F529-L533 PolarHBondContact O-N 3.41Å; F529-L556 HydrophobicContact CD1-CD2 3.76Å; F529-L556 HydrophobicContact CE1-CD2 3.95Å |
| 530 | P | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -37.1 | 176.8 | -25.1 | 36.1 | 0 | 0 | 0 | 113.4 | L532 S534 L556 I586 H589 | P530-L532 VanDerWaalsContact C-N 3.34Å; P530-S534 PolarHBondContact O-N 3.22Å; P530-S534 VanDerWaalsContact O-N 3.11Å; P530-L556 HydrophobicContact CG-CD2 4.11Å; P530-I586 HydrophobicContact CG-CG1 4.06Å; P530-H589 HydrophobicContact CB-CB 3.95Å |
| 531 | S | 91.7 | Very high | 88.7 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -36.4 | 176.9 | 79.4 | 0 | 0 | 0 | 0 | 112.2 | C528 F529 S534 N535 H589 | C528-S531 PolarHBondContact O-N 2.71Å; C528-S531 PolarHBondContact O-OG 3.42Å; F529-S531 VanDerWaalsContact C-N 3.29Å; F529-S531 PolarHBondContact O-N 2.87Å; S531-S534 PolarHBondContact O-N 3.03Å; S531-N535 VanDerWaalsContact O-CG 3.26Å; S531-N535 PolarHBondContact O-N 3.41Å; S531-N535 PolarHBondContact O-ND2 2.97Å; S531-H589 VanDerWaalsContact CB-CE1 3.41Å; S531-H589 WeakPolarHBondContact CB-CE1 3.38Å |
| 532 | L | 92.1 | Very high | 89 | Confident | 40 Ų | 40 | 43.6 Ų | 43.6 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 177.9 | -177.3 | 71.6 | 0 | 0 | 0 | 111 | L496 L509 M512 C528 F529 P530 S534 N535 A536 | L496-L532 HydrophobicContact CD1-CD2 3.73Å; L496-L532 HydrophobicContact CD2-CD2 3.83Å; L496-L532 HydrophobicContact CG-CD2 4.32Å; L509-L532 HydrophobicContact CD1-CD2 3.47Å; L509-L532 VanDerWaalsContact CD1-CD2 3.47Å; L509-L532 HydrophobicContact CD1-CG 3.71Å; M512-L532 HydrophobicContact SD-CD2 3.55Å; M512-L532 VanDerWaalsContact SD-CD2 3.55Å; C528-L532 PolarHBondContact O-N 3.25Å; C528-L532 VanDerWaalsContact O-N 3.1Å; F529-L532 HydrophobicContact CD2-CD2 4.37Å; F529-L532 WeakPolarHBondContact O-CB 3.31Å; F529-L532 PolarHBondContact O-N 2.99Å; F529-L532 VanDerWaalsContact O-N 3.09Å; P530-L532 VanDerWaalsContact C-N 3.34Å; L532-S534 VanDerWaalsContact C-N 3.32Å; L532-S534 PolarHBondContact O-N 3.22Å; L532-N535 PolarHBondContact O-N 3.48Å; L532-A536 WeakPolarHBondContact O-CB 3.46Å; L532-A536 PolarHBondContact O-N 2.89Å |
| 533 | L | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175 | -68.8 | 174.6 | 0 | 0 | 0 | 111.8 | L509 F529 N535 A536 M537 A549 S552 L553 L556 L593 | L509-L533 HydrophobicContact CD1-CD2 3.97Å; L509-L533 HydrophobicContact CD2-CD2 4.25Å; L509-L533 HydrophobicContact CG-CD2 4.24Å; F529-L533 HydrophobicContact CD1-CD1 4.08Å; F529-L533 HydrophobicContact CD2-CG 4.39Å; F529-L533 HydrophobicContact CE1-CD1 3.62Å; F529-L533 HydrophobicContact CE1-CG 4.3Å; F529-L533 HydrophobicContact CE2-CD1 4.23Å; F529-L533 HydrophobicContact CE2-CD2 4.01Å; F529-L533 HydrophobicContact CE2-CG 4.01Å; F529-L533 HydrophobicContact CZ-CD1 3.69Å; F529-L533 HydrophobicContact CZ-CD2 3.92Å; F529-L533 HydrophobicContact CZ-CG 3.94Å; F529-L533 PolarHBondContact O-N 3.41Å; L533-N535 PolarHBondContact O-N 2.86Å; L533-A536 PolarHBondContact O-N 3.27Å; L533-M537 PolarHBondContact O-N 3.21Å; L533-A549 HydrophobicContact CD2-CB 4.3Å; L533-S552 VanDerWaalsContact CD2-CB 3.49Å; L533-L553 HydrophobicContact CD1-CD2 4.31Å; L533-L556 HydrophobicContact CD1-CD1 3.89Å; L533-L556 HydrophobicContact CD1-CD2 3.99Å; L533-L556 HydrophobicContact CD1-CG 3.97Å; L533-L593 HydrophobicContact CB-CD2 3.77Å |
| 534 | S | 92.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | P530 S531 L532 S538 N592 N596 | P530-S534 PolarHBondContact O-N 3.22Å; P530-S534 VanDerWaalsContact O-N 3.11Å; S531-S534 PolarHBondContact O-N 3.03Å; L532-S534 VanDerWaalsContact C-N 3.32Å; L532-S534 PolarHBondContact O-N 3.22Å; S534-S538 PolarHBondContact O-N 3.4Å; S534-N592 WeakPolarHBondContact OG-CB 3.48Å; S534-N596 PolarHBondContact O-ND2 2.96Å |
| 535 | N | 92.6 | Very high | 90.4 | Very high | 99 Ų | 99 | 34.6 Ų | 34.6 | 53% | 0.529 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 177.5 | -69.3 | -25.7 | 0 | 0 | 0 | 112.3 | S531 L532 L533 M537 S538 Q541 | S531-N535 VanDerWaalsContact O-CG 3.26Å; S531-N535 PolarHBondContact O-N 3.41Å; S531-N535 PolarHBondContact O-ND2 2.97Å; L532-N535 PolarHBondContact O-N 3.48Å; L533-N535 PolarHBondContact O-N 2.86Å; N535-M537 VanDerWaalsContact C-N 3.34Å; N535-M537 PolarHBondContact O-N 3.08Å; N535-S538 VanDerWaalsContact O-CB 3.31Å; N535-S538 WeakPolarHBondContact O-CB 3.44Å; N535-S538 PolarHBondContact O-N 2.88Å; N535-S538 PolarHBondContact O-OG 3.29Å; N535-Q541 VanDerWaalsContact O-CG 3.26Å; N535-Q541 WeakPolarHBondContact O-CG 3.03Å |
| 536 | A | 93 | Very high | 90.7 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L509 L532 L533 S538 Q541 L545 A549 | L509-A536 HydrophobicContact CD2-CB 3.68Å; L532-A536 WeakPolarHBondContact O-CB 3.46Å; L532-A536 PolarHBondContact O-N 2.89Å; L533-A536 PolarHBondContact O-N 3.27Å; A536-S538 VanDerWaalsContact C-N 3.31Å; A536-Q541 VanDerWaalsContact O-CB 3.32Å; A536-Q541 WeakPolarHBondContact O-CB 3.3Å; A536-Q541 WeakPolarHBondContact O-CG 3.37Å; A536-L545 HydrophobicContact CB-CD1 4.3Å; A536-L545 HydrophobicContact CB-CD2 4.22Å; A536-L545 HydrophobicContact CB-CG 3.96Å; A536-A549 HydrophobicContact CB-CB 3.68Å |
| 537 | M | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4 | 174.7 | -66.1 | -172.2 | -66.9 | 0 | 0 | 114.3 | L533 N535 A549 M550 L553 L593 N596 L597 | L533-M537 PolarHBondContact O-N 3.21Å; N535-M537 VanDerWaalsContact C-N 3.34Å; N535-M537 PolarHBondContact O-N 3.08Å; M537-A549 HydrophobicContact CG-CB 3.45Å; M537-A549 VanDerWaalsContact CG-CB 3.45Å; M537-A549 HydrophobicContact SD-CB 4.45Å; M537-M550 HydrophobicContact SD-CG 4.07Å; M537-L553 HydrophobicContact CE-CD1 4.25Å; M537-L553 HydrophobicContact CE-CD2 3.84Å; M537-L553 HydrophobicContact CE-CG 4.46Å; M537-L553 HydrophobicContact SD-CD1 3.97Å; M537-L553 HydrophobicContact SD-CD2 4.41Å; M537-L553 HydrophobicContact SD-CG 4.41Å; M537-L593 HydrophobicContact CE-CB 4.27Å; M537-L593 HydrophobicContact CE-CD2 3.47Å; M537-L593 VanDerWaalsContact CE-CD2 3.47Å; M537-L593 HydrophobicContact CE-CG 4.49Å; M537-N596 HydrophobicContact CB-CB 3.66Å; M537-N596 HydrophobicContact CE-CB 4.46Å; M537-L597 HydrophobicContact SD-CB 4.43Å |
| 538 | S | 91.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -65.2 | 152.1 | -177.1 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | S534 N535 A536 T540 Q541 K546 | S534-S538 PolarHBondContact O-N 3.4Å; N535-S538 VanDerWaalsContact O-CB 3.31Å; N535-S538 WeakPolarHBondContact O-CB 3.44Å; N535-S538 PolarHBondContact O-N 2.88Å; N535-S538 PolarHBondContact O-OG 3.29Å; A536-S538 VanDerWaalsContact C-N 3.31Å; S538-T540 PolarHBondContact O-N 2.94Å; S538-T540 PolarHBondContact OG-OG1 3.3Å; S538-Q541 PolarHBondContact O-N 3.12Å; S538-K546 WeakPolarHBondContact O-CE 3.49Å |
| 539 | V | 84.8 | Confident | 91.7 | Very high | 84 Ų | 84 | 28.9 Ų | 28.9 | 51% | 0.509 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -34.2 | -175 | -159.8 | 0 | 0 | 0 | 0 | 113.5 | Q541 K546 E599 | V539-Q541 VanDerWaalsContact C-N 3.27Å; V539-Q541 PolarHBondContact O-N 3.06Å; V539-K546 PolarHBondContact O-NZ 2.91Å; V539-E599 WeakPolarHBondContact CG1-OE1 3.29Å; V539-E599 WeakPolarHBondContact CG2-OE1 3.43Å; V539-E599 WeakPolarHBondContact CG2-OE2 3.39Å |
| 540 | T | 87 | Confident | 91.9 | Very high | 126 Ų | 126 | 29 Ų | 29 | 77% | 0.773 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11.7 | -174.8 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | S538 | S538-T540 PolarHBondContact O-N 2.94Å; S538-T540 PolarHBondContact OG-OG1 3.3Å |
| 541 | Q | 91.3 | Very high | 91.8 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 30% | 0.299 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -87.7 | 162.7 | -177.9 | -59.8 | -58.3 | -22.2 | 0 | 0 | 112.8 | N535 A536 S538 V539 L545 K546 | N535-Q541 VanDerWaalsContact O-CG 3.26Å; N535-Q541 WeakPolarHBondContact O-CG 3.03Å; A536-Q541 VanDerWaalsContact O-CB 3.32Å; A536-Q541 WeakPolarHBondContact O-CB 3.3Å; A536-Q541 WeakPolarHBondContact O-CG 3.37Å; S538-Q541 PolarHBondContact O-N 3.12Å; V539-Q541 VanDerWaalsContact C-N 3.27Å; V539-Q541 PolarHBondContact O-N 3.06Å; Q541-L545 HydrophobicContact CB-CD2 4.12Å; Q541-L545 HydrophobicContact CG-CD2 4.13Å; Q541-K546 HydrophobicContact CB-CG 4.45Å; Q541-K546 WeakPolarHBondContact O-CE 3.41Å; Q541-K546 PolarHBondContact O-NZ 3.24Å |
| 542 | S | 91.3 | Very high | 91.8 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | trans | -64.5 | 154.7 | 176.3 | 72 | 0 | 0 | 0 | 0 | 111.9 | I544 L545 K546 | S542-I544 VanDerWaalsContact C-N 3.3Å; S542-I544 PolarHBondContact O-N 3.29Å; S542-L545 PolarHBondContact O-N 3.31Å; S542-L545 WeakPolarHBondContact OG-CB 3.49Å; S542-L545 PolarHBondContact OG-N 3.15Å; S542-K546 WeakPolarHBondContact O-CG 3.28Å; S542-K546 PolarHBondContact O-N 3.25Å; S542-K546 VanDerWaalsContact O-N 3.1Å | ||
| 543 | S | 91.5 | Very high | 91.7 | Very high | 50 Ų | 50 | 26.3 Ų | 26.3 | 35% | 0.35 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 177.5 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | L545 K546 I547 | S543-L545 PolarHBondContact O-N 3.28Å; S543-K546 WeakPolarHBondContact O-CB 3.34Å; S543-K546 PolarHBondContact O-N 2.85Å; S543-I547 WeakPolarHBondContact O-CD1 3.24Å; S543-I547 VanDerWaalsContact O-CG1 3.29Å; S543-I547 WeakPolarHBondContact O-CG1 3.43Å; S543-I547 PolarHBondContact O-N 2.67Å |
| 544 | I | 92.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 8% | 0.077 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 179.1 | -63.9 | 158.2 | 0 | 0 | 0 | 110.9 | Y384 F503 A506 S542 K546 I547 S548 | Y384-I544 HydrophobicContact CD1-CG2 4.47Å; Y384-I544 HydrophobicContact CE1-CB 4.46Å; Y384-I544 HydrophobicContact CE1-CG2 3.84Å; Y384-I544 HydrophobicContact CE2-CG2 4.1Å; F503-I544 HydrophobicContact CD1-CD1 4.31Å; F503-I544 HydrophobicContact CD1-CG2 4.1Å; F503-I544 HydrophobicContact CE1-CD1 3.5Å; F503-I544 VanDerWaalsContact CE1-CD1 3.5Å; F503-I544 HydrophobicContact CE1-CG1 4.27Å; F503-I544 HydrophobicContact CE1-CG2 4.13Å; F503-I544 HydrophobicContact CE2-CD1 4.2Å; F503-I544 HydrophobicContact CZ-CD1 3.45Å; F503-I544 VanDerWaalsContact CZ-CD1 3.45Å; A506-I544 HydrophobicContact CB-CG2 3.97Å; S542-I544 VanDerWaalsContact C-N 3.3Å; S542-I544 PolarHBondContact O-N 3.29Å; I544-K546 PolarHBondContact O-N 3.35Å; I544-I547 PolarHBondContact O-N 3.07Å; I544-S548 PolarHBondContact O-N 3.38Å |
| 545 | L | 93.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | 179.5 | -174.1 | 63.1 | 0 | 0 | 0 | 111.8 | Q505 L509 A536 Q541 S542 S543 A549 | Q505-L545 HydrophobicContact CG-CD1 4.04Å; Q505-L545 HydrophobicContact CG-CD2 4.37Å; L509-L545 HydrophobicContact CD2-CD1 3.99Å; A536-L545 HydrophobicContact CB-CD1 4.3Å; A536-L545 HydrophobicContact CB-CD2 4.22Å; A536-L545 HydrophobicContact CB-CG 3.96Å; Q541-L545 HydrophobicContact CB-CD2 4.12Å; Q541-L545 HydrophobicContact CG-CD2 4.13Å; S542-L545 PolarHBondContact O-N 3.31Å; S542-L545 WeakPolarHBondContact OG-CB 3.49Å; S542-L545 PolarHBondContact OG-N 3.15Å; S543-L545 PolarHBondContact O-N 3.28Å; L545-A549 WeakPolarHBondContact O-CB 3.35Å; L545-A549 PolarHBondContact O-N 3.44Å |
| 546 | K | 94.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 9% | 0.087 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 174.9 | -71.2 | 169.8 | 177.7 | 168.8 | 0 | 111.3 | S538 V539 Q541 S542 S543 I544 A549 M550 F604 | S538-K546 WeakPolarHBondContact O-CE 3.49Å; V539-K546 PolarHBondContact O-NZ 2.91Å; Q541-K546 HydrophobicContact CB-CG 4.45Å; Q541-K546 WeakPolarHBondContact O-CE 3.41Å; Q541-K546 PolarHBondContact O-NZ 3.24Å; S542-K546 WeakPolarHBondContact O-CG 3.28Å; S542-K546 PolarHBondContact O-N 3.25Å; S542-K546 VanDerWaalsContact O-N 3.1Å; S543-K546 WeakPolarHBondContact O-CB 3.34Å; S543-K546 PolarHBondContact O-N 2.85Å; I544-K546 PolarHBondContact O-N 3.35Å; K546-A549 WeakPolarHBondContact O-CB 3.3Å; K546-A549 PolarHBondContact O-N 3.09Å; K546-M550 VanDerWaalsContact O-CG 3.31Å; K546-M550 WeakPolarHBondContact O-CG 3.36Å; K546-M550 PolarHBondContact O-N 2.87Å; K546-F604 HydrophobicContact CB-CE2 4.1Å; K546-F604 HydrophobicContact CB-CZ 4.35Å; K546-F604 HydrophobicContact CD-CE2 4.16Å; K546-F604 HydrophobicContact CD-CZ 3.96Å |
| 547 | I | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 179.6 | -65.4 | 157.5 | 0 | 0 | 0 | 111 | I381 Y384 V385 S543 I544 A549 M550 H551 F604 V608 | I381-I547 HydrophobicContact CB-CD1 4.26Å; I381-I547 HydrophobicContact CG1-CD1 4.12Å; I381-I547 HydrophobicContact CG2-CD1 3.45Å; I381-I547 VanDerWaalsContact CG2-CD1 3.45Å; Y384-I547 HydrophobicContact CD1-CB 4.28Å; Y384-I547 HydrophobicContact CD1-CD1 4.08Å; Y384-I547 HydrophobicContact CD1-CG2 3.97Å; Y384-I547 HydrophobicContact CE1-CB 4.05Å; Y384-I547 HydrophobicContact CE1-CG2 3.83Å; V385-I547 HydrophobicContact CG2-CD1 4.45Å; V385-I547 HydrophobicContact CG2-CG2 3.78Å; S543-I547 WeakPolarHBondContact O-CD1 3.24Å; S543-I547 VanDerWaalsContact O-CG1 3.29Å; S543-I547 WeakPolarHBondContact O-CG1 3.43Å; S543-I547 PolarHBondContact O-N 2.67Å; I544-I547 PolarHBondContact O-N 3.07Å; I547-A549 VanDerWaalsContact C-N 3.26Å; I547-A549 PolarHBondContact O-N 2.88Å; I547-M550 WeakPolarHBondContact O-CB 3.46Å; I547-M550 PolarHBondContact O-N 3.34Å; I547-M550 VanDerWaalsContact O-N 3.08Å; I547-H551 PolarHBondContact O-CD2 3.09Å; I547-H551 PolarHBondContact O-N 3.25Å; I547-F604 HydrophobicContact CG1-CE2 4.47Å; I547-V608 HydrophobicContact CG1-CG1 4.08Å |
| 548 | S | 92.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.6 | -40.1 | 173.9 | -86 | 0 | 0 | 0 | 0 | 112.9 | Y384 A506 I544 S552 | Y384-S548 PolarHBondContact OH-OG 3.41Å; A506-S548 WeakPolarHBondContact CB-OG 3.46Å; I544-S548 PolarHBondContact O-N 3.38Å; S548-S552 PolarHBondContact O-N 3.01Å; S548-S552 PolarHBondContact O-OG 3.49Å |
| 549 | A | 94.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.4 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L509 L533 A536 M537 L545 K546 I547 S552 L553 | L509-A549 HydrophobicContact CD2-CB 3.63Å; L533-A549 HydrophobicContact CD2-CB 4.3Å; A536-A549 HydrophobicContact CB-CB 3.68Å; M537-A549 HydrophobicContact CG-CB 3.45Å; M537-A549 VanDerWaalsContact CG-CB 3.45Å; M537-A549 HydrophobicContact SD-CB 4.45Å; L545-A549 WeakPolarHBondContact O-CB 3.35Å; L545-A549 PolarHBondContact O-N 3.44Å; K546-A549 WeakPolarHBondContact O-CB 3.3Å; K546-A549 PolarHBondContact O-N 3.09Å; I547-A549 VanDerWaalsContact C-N 3.26Å; I547-A549 PolarHBondContact O-N 2.88Å; A549-S552 PolarHBondContact O-N 3.35Å; A549-L553 PolarHBondContact O-N 2.87Å |
| 550 | M | 92.9 | Very high | 84.5 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 174.9 | -70.2 | 172.3 | 61.5 | 0 | 0 | 111.5 | M537 K546 I547 S552 L553 L597 C600 V608 I611 | M537-M550 HydrophobicContact SD-CG 4.07Å; K546-M550 VanDerWaalsContact O-CG 3.31Å; K546-M550 WeakPolarHBondContact O-CG 3.36Å; K546-M550 PolarHBondContact O-N 2.87Å; I547-M550 WeakPolarHBondContact O-CB 3.46Å; I547-M550 PolarHBondContact O-N 3.34Å; I547-M550 VanDerWaalsContact O-N 3.08Å; M550-S552 PolarHBondContact O-N 3.29Å; M550-L553 WeakPolarHBondContact O-CB 3.43Å; M550-L553 WeakPolarHBondContact O-CG 3.19Å; M550-L553 PolarHBondContact O-N 3.22Å; M550-L597 HydrophobicContact CB-CD1 4.44Å; M550-L597 HydrophobicContact CE-CD1 3.82Å; M550-L597 HydrophobicContact CG-CD1 3.76Å; M550-L597 HydrophobicContact SD-CD1 4.31Å; M550-C600 HydrophobicContact CE-CB 4.48Å; M550-C600 HydrophobicContact SD-CB 3.54Å; M550-C600 VanDerWaalsContact SD-CB 3.54Å; M550-V608 HydrophobicContact CE-CB 3.87Å; M550-V608 HydrophobicContact CE-CG2 4.01Å; M550-I611 HydrophobicContact CB-CG2 3.92Å |
| 551 | H | 89.1 | Confident | 82.7 | Confident | 18 Ų | 18 | 21.3 Ų | 21.3 | 8% | 0.083 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.9 | -30 | 174.6 | -78.4 | -78.9 | 0 | 0 | 0 | 112.9 | E389 I547 L553 I611 | E389-H551 IonicContact OE1-CE1 3.95Å; I547-H551 PolarHBondContact O-CD2 3.09Å; I547-H551 PolarHBondContact O-N 3.25Å; H551-L553 VanDerWaalsContact C-N 3.26Å; H551-L553 PolarHBondContact O-N 3.32Å; H551-I611 HydrophobicContact CB-CG2 4.39Å; H551-I611 WeakPolarHBondContact CE1-CD1 3.27Å; H551-I611 VanDerWaalsContact CE1-CG1 3.45Å; H551-I611 WeakPolarHBondContact CE1-CG1 3.35Å; H551-I611 WeakPolarHBondContact NE2-CD1 3.42Å |
| 552 | S | 91.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.7 | -178.3 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | S513 L533 S548 A549 M550 D554 T555 | S513-S552 WeakPolarHBondContact OG-CA 3.3Å; S513-S552 WeakPolarHBondContact OG-CB 3.31Å; S513-S552 PolarHBondContact OG-O 3.18Å; L533-S552 VanDerWaalsContact CD2-CB 3.49Å; S548-S552 PolarHBondContact O-N 3.01Å; S548-S552 PolarHBondContact O-OG 3.49Å; A549-S552 PolarHBondContact O-N 3.35Å; M550-S552 PolarHBondContact O-N 3.29Å; S552-D554 VanDerWaalsContact C-N 3.32Å; S552-D554 PolarHBondContact O-N 2.82Å; S552-T555 PolarHBondContact O-OG1 3.41Å |
| 553 | L | 90.8 | Very high | 78.3 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -27.6 | -177.3 | -71.1 | 176.9 | 0 | 0 | 0 | 113.5 | L533 M537 A549 M550 H551 T555 L556 L593 L597 L619 | L533-L553 HydrophobicContact CD1-CD2 4.31Å; M537-L553 HydrophobicContact CE-CD1 4.25Å; M537-L553 HydrophobicContact CE-CD2 3.84Å; M537-L553 HydrophobicContact CE-CG 4.46Å; M537-L553 HydrophobicContact SD-CD1 3.97Å; M537-L553 HydrophobicContact SD-CD2 4.41Å; M537-L553 HydrophobicContact SD-CG 4.41Å; A549-L553 PolarHBondContact O-N 2.87Å; M550-L553 WeakPolarHBondContact O-CB 3.43Å; M550-L553 WeakPolarHBondContact O-CG 3.19Å; M550-L553 PolarHBondContact O-N 3.22Å; H551-L553 VanDerWaalsContact C-N 3.26Å; H551-L553 PolarHBondContact O-N 3.32Å; L553-T555 VanDerWaalsContact C-N 3.31Å; L553-T555 PolarHBondContact O-N 2.95Å; L553-L556 HydrophobicContact CD2-CD1 4.27Å; L553-L556 PolarHBondContact O-N 3.04Å; L553-L593 HydrophobicContact CD2-CD2 4.07Å; L553-L597 HydrophobicContact CD1-CD1 3.79Å; L553-L597 HydrophobicContact CD1-CD2 3.92Å; L553-L597 HydrophobicContact CD1-CG 4.31Å; L553-L619 HydrophobicContact CD1-CD1 3.97Å; L553-L619 HydrophobicContact CD2-CD1 4.12Å; L553-L619 HydrophobicContact CD2-CD2 4.24Å; L553-L619 HydrophobicContact CD2-CG 4.42Å |
| 554 | D | 83.2 | Confident | 75.7 | Confident | 61 Ų | 61 | 30.1 Ų | 30.1 | 33% | 0.326 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -62.8 | -36.9 | 179.1 | 61 | -5.3 | 0 | 0 | 0 | 112.5 | S552 L556 R557 K618 | S552-D554 VanDerWaalsContact C-N 3.32Å; S552-D554 PolarHBondContact O-N 2.82Å; D554-L556 PolarHBondContact O-N 3.13Å; D554-R557 PolarHBondContact O-N 3.43Å; D554-K618 HydrophobicContact CB-CG 4.29Å |
| 555 | T | 83.5 | Confident | 73 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -65.3 | -22.7 | -177.5 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | S513 Y516 E517 S552 L553 R557 A558 | S513-T555 WeakPolarHBondContact OG-CG2 3.11Å; S513-T555 PolarHBondContact OG-OG1 3.47Å; Y516-T555 WeakPolarHBondContact CE1-O 3.23Å; E517-T555 HydrophobicContact CB-CG2 4.05Å; S552-T555 PolarHBondContact O-OG1 3.41Å; L553-T555 VanDerWaalsContact C-N 3.31Å; L553-T555 PolarHBondContact O-N 2.95Å; T555-R557 PolarHBondContact O-N 3.46Å; T555-A558 WeakPolarHBondContact O-CB 3.27Å; T555-A558 PolarHBondContact O-N 3.28Å |
| 556 | L | 81.1 | Confident | 69.9 | Low | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -59.6 | -23.3 | 177.8 | -69.5 | 178 | 0 | 0 | 0 | 112.1 | F529 P530 L533 L553 D554 L593 L619 | F529-L556 HydrophobicContact CD1-CD2 3.76Å; F529-L556 HydrophobicContact CE1-CD2 3.95Å; P530-L556 HydrophobicContact CG-CD2 4.11Å; L533-L556 HydrophobicContact CD1-CD1 3.89Å; L533-L556 HydrophobicContact CD1-CD2 3.99Å; L533-L556 HydrophobicContact CD1-CG 3.97Å; L553-L556 HydrophobicContact CD2-CD1 4.27Å; L553-L556 PolarHBondContact O-N 3.04Å; D554-L556 PolarHBondContact O-N 3.13Å; L556-L593 HydrophobicContact CD1-CD1 4.01Å; L556-L619 HydrophobicContact CD1-CD2 3.82Å |
| 557 | R | 72.5 | Confident | 67 | Low | 47 Ų | 47 | 49.4 Ų | 49.4 | 18% | 0.177 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -91 | -22.8 | 176.1 | -166.3 | 176.2 | 180 | -132.3 | -0.3 | 113.9 | D554 T555 N559 V560 D1070 | D554-R557 PolarHBondContact O-N 3.43Å; T555-R557 PolarHBondContact O-N 3.46Å; R557-N559 PolarHBondContact O-N 2.89Å; R557-N559 VanDerWaalsContact O-N 3.12Å; R557-V560 HydrophobicContact CG-CB 4.4Å; R557-V560 HydrophobicContact CG-CG2 4.28Å; R557-V560 WeakPolarHBondContact O-CA 3.5Å; R557-V560 VanDerWaalsContact O-CB 3.23Å; R557-V560 WeakPolarHBondContact O-CB 3.1Å; R557-V560 WeakPolarHBondContact O-CG2 3.5Å; R557-V560 PolarHBondContact O-N 3.48Å; R557-D1070 IonicContact CZ-OD1 3.22Å; R557-D1070 IonicContact NH1-OD1 2.7Å; R557-D1070 PolarHBondContact NH1-OD1 3.18Å; R557-D1070 IonicContact NH1-OD2 3.6Å; R557-D1070 PolarHBondContact NH1-OD2 2.79Å; R557-D1070 IonicContact NH2-OD1 2.77Å |
| 558 | A | 61.1 | Low | 64.1 | Low | 16 Ų | 16 | 58 Ų | 58 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.8 | -35.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E517 T555 V560 N561 N562 | E517-A558 HydrophobicContact CB-CB 4.12Å; E517-A558 HydrophobicContact CG-CB 3.73Å; T555-A558 WeakPolarHBondContact O-CB 3.27Å; T555-A558 PolarHBondContact O-N 3.28Å; A558-V560 PolarHBondContact O-N 2.99Å; A558-N561 PolarHBondContact O-N 3.39Å; A558-N562 PolarHBondContact O-N 3.3Å |
| 559 | N | 54.4 | Low | 61.3 | Low | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -19 | 173.9 | -88.1 | -6.6 | 0 | 0 | 0 | 115 | Y516 N519 R557 I563 | Y516-N559 HydrophobicContact CE1-CB 4.34Å; Y516-N559 WeakPolarHBondContact CE1-ND2 3.45Å; Y516-N559 VanDerWaalsContact CZ-ND2 3.32Å; Y516-N559 PolarHBondContact OH-ND2 3.18Å; N519-N559 VanDerWaalsContact CG-OD1 3.24Å; N519-N559 PolarHBondContact ND2-OD1 3.02Å; N519-N559 VanDerWaalsContact ND2-OD1 3.15Å; N519-N559 PolarHBondContact OD1-OD1 3.29Å; R557-N559 PolarHBondContact O-N 2.89Å; R557-N559 VanDerWaalsContact O-N 3.12Å; N559-I563 VanDerWaalsContact O-CD1 3.23Å; N559-I563 WeakPolarHBondContact O-CD1 3.19Å; N559-I563 VanDerWaalsContact O-CG1 3.31Å; N559-I563 WeakPolarHBondContact O-CG1 3.49Å |
| 560 | V | 53.7 | Low | 58.2 | Low | 42 Ų | 42 | 71.5 Ų | 71.5 | 26% | 0.255 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74.2 | -33.4 | 176.6 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | R557 A558 I582 | R557-V560 HydrophobicContact CG-CB 4.4Å; R557-V560 HydrophobicContact CG-CG2 4.28Å; R557-V560 WeakPolarHBondContact O-CA 3.5Å; R557-V560 VanDerWaalsContact O-CB 3.23Å; R557-V560 WeakPolarHBondContact O-CB 3.1Å; R557-V560 WeakPolarHBondContact O-CG2 3.5Å; R557-V560 PolarHBondContact O-N 3.48Å; A558-V560 PolarHBondContact O-N 2.99Å; V560-I582 HydrophobicContact CG2-CD1 3.87Å |
| 561 | N | 50.6 | Low | 55.2 | Low | 54 Ų | 54 | 76.8 Ų | 76.8 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -92.2 | -43.5 | -173.5 | -70.6 | -6.4 | 0 | 0 | 0 | 112 | A558 I563 K564 D1070 | A558-N561 PolarHBondContact O-N 3.39Å; N561-I563 PolarHBondContact O-N 3.47Å; N561-I563 VanDerWaalsContact O-N 3.16Å; N561-K564 PolarHBondContact O-N 3.16Å; N561-D1070 PolarHBondContact ND2-OD1 2.82Å; N561-D1070 VanDerWaalsContact ND2-OD1 3.17Å |
| 562 | N | 46.7 | Very low | 52.3 | Low | 83 Ų | 83 | 82.6 Ų | 82.6 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.4 | -20.9 | -176.7 | -75 | -18.9 | 0 | 0 | 0 | 114.1 | E517 A558 K564 | E517-N562 PolarHBondContact O-ND2 2.9Å; A558-N562 PolarHBondContact O-N 3.3Å; N562-K564 VanDerWaalsContact C-N 3.34Å |
| 563 | I | 43 | Very low | 49.4 | Very low | 86 Ų | 86 | 88 Ų | 88 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.1 | 177.6 | -57.4 | 175.7 | 0 | 0 | 0 | 111.9 | N559 N561 | N559-I563 VanDerWaalsContact O-CD1 3.23Å; N559-I563 WeakPolarHBondContact O-CD1 3.19Å; N559-I563 VanDerWaalsContact O-CG1 3.31Å; N559-I563 WeakPolarHBondContact O-CG1 3.49Å; N561-I563 PolarHBondContact O-N 3.47Å; N561-I563 VanDerWaalsContact O-N 3.16Å |
| 564 | K | 36.9 | Very low | 46.7 | Very low | 159 Ų | 159 | 95.9 Ų | 95.9 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -18.2 | 178.5 | -73.8 | -177.6 | -178.4 | 173.6 | 0 | 114.5 | N561 N562 P566 | N561-K564 PolarHBondContact O-N 3.16Å; N562-K564 VanDerWaalsContact C-N 3.34Å; K564-P566 VanDerWaalsContact O-CD 3.24Å; K564-P566 WeakPolarHBondContact O-CD 3.41Å |
| 565 | K | 35.5 | Very low | 44.5 | Very low | 150 Ų | 150 | 100.9 Ų | 100.9 | 65% | 0.652 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -72.8 | 114.2 | 173 | -78.4 | -172.7 | 176.9 | -179.1 | 0 | 108.8 | M567 | K565-M567 PolarHBondContact O-N 3.41Š|
| 566 | P | 28.2 | Very low | 42.3 | Very low | 116 Ų | 116 | 105 Ų | 105 | 75% | 0.753 | 55% | 0.55 | S | S | * | * | trans | -69.4 | 106.7 | 173.6 | 28.4 | -28.9 | 0 | 0 | 0 | 107.6 | K564 E568 | K564-P566 VanDerWaalsContact O-CD 3.24Å; K564-P566 WeakPolarHBondContact O-CD 3.41Å; P566-E568 PolarHBondContact O-N 2.86Å | ||
| 567 | M | 32 | Very low | 40.8 | Very low | 178 Ų | 178 | 108 Ų | 108 | 88% | 0.877 | 57% | 0.572 | S | S | * | * | trans | -60.5 | 111.4 | 162.4 | -103.7 | -162.8 | 157.4 | 0 | 0 | 107.5 | K565 N569 | K565-M567 PolarHBondContact O-N 3.41Å; M567-N569 PolarHBondContact O-N 3.32Å | ||
| 568 | E | 32 | Very low | 40 | Very low | 182 Ų | 182 | 107.7 Ų | 107.7 | 85% | 0.85 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -66.4 | 73.8 | 168.4 | -67.8 | -166 | 152.5 | 0 | 0 | 109.6 | P566 | P566-E568 PolarHBondContact O-N 2.86Š|
| 569 | N | 34.4 | Very low | 40 | Very low | 130 Ų | 130 | 110.3 Ų | 110.3 | 70% | 0.695 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -159.8 | 92.3 | 164 | -89.1 | -43.8 | 0 | 0 | 0 | 109.7 | M567 T571 | M567-N569 PolarHBondContact O-N 3.32Å; N569-T571 PolarHBondContact O-N 2.9Å |
| 570 | N | 28.3 | Very low | 40.7 | Very low | 154 Ų | 154 | 112.8 Ų | 112.8 | 82% | 0.824 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 35.8 | 83 | 152.8 | -69 | -31.6 | 0 | 0 | 0 | 117 | ||
| 571 | T | 30.4 | Very low | 41.6 | Very low | 112 Ų | 112 | 112 Ų | 112 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | -178.9 | 110.6 | 126.9 | 23.3 | 0 | 0 | 0 | 0 | 110.7 | N569 T573 | N569-T571 PolarHBondContact O-N 2.9Å; T571-T573 PolarHBondContact O-N 3.49Å | |||
| 572 | T | 28.4 | Very low | 42.7 | Very low | 140 Ų | 140 | 110.9 Ų | 110.9 | 86% | 0.859 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 93.5 | 172 | 44.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 573 | T | 30.7 | Very low | 43.9 | Very low | 113 Ų | 113 | 110.8 Ų | 110.8 | 69% | 0.693 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.1 | -1.7 | 157.8 | 9.6 | 0 | 0 | 0 | 0 | 118.9 | T571 I575 | T571-T573 PolarHBondContact O-N 3.49Å; T573-I575 PolarHBondContact O-N 3.43Å |
| 574 | Y | 35.1 | Very low | 45.7 | Very low | 168 Ų | 168 | 110.9 Ų | 110.9 | 66% | 0.659 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -91.2 | 3.5 | -162.5 | -74.6 | -82 | 0 | 0 | 0 | 118.4 | S576 S577 | Y574-S576 PolarHBondContact O-N 2.92Å; Y574-S577 PolarHBondContact O-OG 2.97Å |
| 575 | I | 36.5 | Very low | 47.8 | Very low | 166 Ų | 166 | 106.6 Ų | 106.6 | 85% | 0.851 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -72.9 | -4.5 | -170.8 | -53.5 | 171.9 | 0 | 0 | 0 | 113.8 | T573 | T573-I575 PolarHBondContact O-N 3.43Š|
| 576 | S | 36.4 | Very low | 50.1 | Low | 86 Ų | 86 | 99.5 Ų | 99.5 | 60% | 0.601 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -109.8 | -5.7 | -174.7 | 42 | 0 | 0 | 0 | 0 | 116.2 | Y574 V580 | Y574-S576 PolarHBondContact O-N 2.92Å; S576-V580 WeakPolarHBondContact O-CG2 3.48Å |
| 577 | S | 50.3 | Low | 52.8 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -81.2 | -30.6 | -179.5 | 48 | 0 | 0 | 0 | 0 | 113.6 | Y574 V580 F581 | Y574-S577 PolarHBondContact O-OG 2.97Å; S577-V580 PolarHBondContact O-N 3.06Å; S577-F581 PolarHBondContact O-N 3.27Å |
| 578 | S | 55.8 | Low | 55.5 | Low | 40 Ų | 40 | 90.2 Ų | 90.2 | 28% | 0.28 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -45.3 | -170.7 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | V580 F581 I582 | S578-V580 VanDerWaalsContact C-N 3.29Å; S578-V580 PolarHBondContact O-N 2.9Å; S578-F581 PolarHBondContact O-N 3.26Å; S578-I582 WeakPolarHBondContact O-CG1 3.38Å; S578-I582 PolarHBondContact O-N 3.45Å |
| 579 | S | 61.1 | Low | 58.3 | Low | 70 Ų | 70 | 84.1 Ų | 84.1 | 49% | 0.49 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 178.6 | 65.2 | 0 | 0 | 0 | 0 | 112 | T583 | S579-T583 WeakPolarHBondContact O-CB 3.48Å; S579-T583 PolarHBondContact O-N 2.77Å; S579-T583 VanDerWaalsContact O-N 3.08Å; S579-T583 PolarHBondContact O-OG1 3.17Å |
| 580 | V | 68.9 | Low | 60.9 | Low | 73 Ų | 73 | 78 Ų | 78 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | -179.6 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | S576 S577 S578 N584 | S576-V580 WeakPolarHBondContact O-CG2 3.48Å; S577-V580 PolarHBondContact O-N 3.06Å; S578-V580 VanDerWaalsContact C-N 3.29Å; S578-V580 PolarHBondContact O-N 2.9Å; V580-N584 WeakPolarHBondContact CG1-ND2 3.44Å; V580-N584 VanDerWaalsContact O-CB 3.23Å; V580-N584 WeakPolarHBondContact O-CB 3.46Å; V580-N584 PolarHBondContact O-N 3.15Å |
| 581 | F | 72.6 | Confident | 63.9 | Low | 25 Ų | 25 | 73.5 Ų | 73.5 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 178.6 | -173.3 | -85.9 | 0 | 0 | 0 | 111.7 | Y516 E523 A526 Q527 S577 S578 T583 N584 Y585 I586 | Y516-F581 HydrophobicContact CE2-CE1 4.4Å; Y516-F581 HydrophobicContact CE2-CZ 4.39Å; Y516-F581 WeakPolarHBondContact OH-CE1 3.41Å; E523-F581 HydrophobicContact CG-CD2 4.02Å; E523-F581 HydrophobicContact CG-CE2 4.03Å; A526-F581 HydrophobicContact CB-CE2 4.09Å; A526-F581 HydrophobicContact CB-CZ 3.72Å; Q527-F581 HydrophobicContact CG-CE2 3.88Å; S577-F581 PolarHBondContact O-N 3.27Å; S578-F581 PolarHBondContact O-N 3.26Å; F581-T583 PolarHBondContact O-N 3.09Å; F581-N584 PolarHBondContact O-N 3.46Å; F581-Y585 HydrophobicContact CB-CD2 4.5Å; F581-Y585 AromaticContact CD2-CD2 3.71Å; F581-Y585 HydrophobicContact CD2-CD2 3.71Å; F581-Y585 HydrophobicContact CD2-CE2 4.18Å; F581-Y585 HydrophobicContact CE2-CD2 4.02Å; F581-Y585 HydrophobicContact CG-CD2 4.06Å; F581-Y585 WeakPolarHBondContact O-CB 3Å; F581-Y585 WeakPolarHBondContact O-CD2 3.12Å; F581-Y585 PolarHBondContact O-N 3.19Å; F581-I586 HydrophobicContact CD1-CD1 4.43Å; F581-I586 HydrophobicContact CE1-CD1 4.3Å; F581-I586 HydrophobicContact CE1-CG1 4.32Å |
| 582 | I | 74.1 | Confident | 66.8 | Low | 32 Ų | 32 | 72.4 Ų | 72.4 | 16% | 0.164 | 41% | 0.41 | C | S | . | . | I | π-helix | trans | -59.7 | -52.2 | 179.7 | -62.3 | 165.4 | 0 | 0 | 0 | 110.3 | V560 S578 N584 I586 V587 V622 | V560-I582 HydrophobicContact CG2-CD1 3.87Å; S578-I582 WeakPolarHBondContact O-CG1 3.38Å; S578-I582 PolarHBondContact O-N 3.45Å; I582-N584 VanDerWaalsContact C-N 3.35Å; I582-N584 PolarHBondContact O-N 2.92Å; I582-I586 HydrophobicContact CG1-CD1 4.37Å; I582-I586 PolarHBondContact O-N 3.31Å; I582-V587 HydrophobicContact CG2-CG2 4.2Å; I582-V587 WeakPolarHBondContact O-CG2 3.17Å; I582-V587 PolarHBondContact O-N 2.93Å; I582-V622 HydrophobicContact CG2-CG1 3.72Å |
| 583 | T | 72.4 | Confident | 69.8 | Low | 81 Ų | 81 | 65.8 Ų | 65.8 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -64.2 | -36.4 | -177.1 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | S579 F581 | S579-T583 WeakPolarHBondContact O-CB 3.48Å; S579-T583 PolarHBondContact O-N 2.77Å; S579-T583 VanDerWaalsContact O-N 3.08Å; S579-T583 PolarHBondContact O-OG1 3.17Å; F581-T583 PolarHBondContact O-N 3.09Å |
| 584 | N | 79.7 | Confident | 72.7 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -89.1 | -26.4 | -175.1 | -70.9 | -15 | 0 | 0 | 0 | 114.3 | V580 F581 I582 P588 | V580-N584 WeakPolarHBondContact CG1-ND2 3.44Å; V580-N584 VanDerWaalsContact O-CB 3.23Å; V580-N584 WeakPolarHBondContact O-CB 3.46Å; V580-N584 PolarHBondContact O-N 3.15Å; F581-N584 PolarHBondContact O-N 3.46Å; I582-N584 VanDerWaalsContact C-N 3.35Å; I582-N584 PolarHBondContact O-N 2.92Å; N584-P588 WeakPolarHBondContact O-CG 3.31Å |
| 585 | Y | 81.7 | Confident | 75.5 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -123.4 | -26.4 | -169.1 | -57 | -68.8 | 0 | 0 | 0 | 114.7 | Q527 F581 H589 | Q527-Y585 HydrophobicContact CB-CD1 3.89Å; Q527-Y585 HydrophobicContact CB-CE1 4.1Å; Q527-Y585 HydrophobicContact CB-CG 4.24Å; Q527-Y585 HydrophobicContact CG-CD1 3.53Å; Q527-Y585 HydrophobicContact CG-CD2 3.71Å; Q527-Y585 HydrophobicContact CG-CE1 3.47Å; Q527-Y585 VanDerWaalsContact CG-CE1 3.47Å; Q527-Y585 HydrophobicContact CG-CE2 3.7Å; Q527-Y585 HydrophobicContact CG-CG 3.64Å; Q527-Y585 VanDerWaalsContact NE2-CZ 3.28Å; Q527-Y585 PolarHBondContact NE2-OH 3.47Å; Q527-Y585 VanDerWaalsContact NE2-OH 3.13Å; F581-Y585 HydrophobicContact CB-CD2 4.5Å; F581-Y585 AromaticContact CD2-CD2 3.71Å; F581-Y585 HydrophobicContact CD2-CD2 3.71Å; F581-Y585 HydrophobicContact CD2-CE2 4.18Å; F581-Y585 HydrophobicContact CE2-CD2 4.02Å; F581-Y585 HydrophobicContact CG-CD2 4.06Å; F581-Y585 WeakPolarHBondContact O-CB 3Å; F581-Y585 WeakPolarHBondContact O-CD2 3.12Å; F581-Y585 PolarHBondContact O-N 3.19Å; Y585-H589 PolarHBondContact O-CD2 3.12Å; Y585-H589 VanDerWaalsContact O-CD2 3.31Å |
| 586 | I | 83.1 | Confident | 78.1 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -96.9 | -52.4 | 177.7 | -53.3 | 178.6 | 0 | 0 | 0 | 110.1 | P530 F581 I582 P588 H589 L590 V622 | P530-I586 HydrophobicContact CG-CG1 4.06Å; F581-I586 HydrophobicContact CD1-CD1 4.43Å; F581-I586 HydrophobicContact CE1-CD1 4.3Å; F581-I586 HydrophobicContact CE1-CG1 4.32Å; I582-I586 HydrophobicContact CG1-CD1 4.37Å; I582-I586 PolarHBondContact O-N 3.31Å; I586-P588 VanDerWaalsContact C-CD 3.43Å; I586-P588 VanDerWaalsContact C-N 3.34Å; I586-H589 PolarHBondContact O-N 3.21Å; I586-L590 HydrophobicContact CG2-CD2 4.12Å; I586-L590 HydrophobicContact CG2-CG 4.5Å; I586-L590 PolarHBondContact O-N 2.99Å; I586-V622 HydrophobicContact CB-CG1 4.41Å; I586-V622 HydrophobicContact CG2-CG1 3.82Å |
| 587 | V | 85 | Confident | 80.9 | Confident | 26 Ų | 26 | 45 Ų | 45 | 16% | 0.158 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -52.1 | -42.2 | -176.5 | 174.6 | 0 | 0 | 0 | 0 | 113.6 | I582 H589 L590 D623 | I582-V587 HydrophobicContact CG2-CG2 4.2Å; I582-V587 WeakPolarHBondContact O-CG2 3.17Å; I582-V587 PolarHBondContact O-N 2.93Å; V587-H589 PolarHBondContact O-N 2.91Å; V587-L590 HydrophobicContact CB-CD1 4.4Å; V587-L590 HydrophobicContact CG2-CD1 4.2Å; V587-L590 PolarHBondContact O-N 3.49Å; V587-D623 HydrophobicContact CG2-CB 3.97Å |
| 588 | P | 89.2 | Confident | 82.8 | Confident | 74 Ų | 74 | 43.2 Ų | 43.2 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -63.7 | -23.9 | 179.2 | -24.4 | 36.5 | 0 | 0 | 0 | 114.6 | N584 I586 | N584-P588 WeakPolarHBondContact O-CG 3.31Å; I586-P588 VanDerWaalsContact C-CD 3.43Å; I586-P588 VanDerWaalsContact C-N 3.34Å |
| 589 | H | 89.8 | Confident | 84.5 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 25% | 0.25 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -95.2 | -15.2 | -179 | -70 | -76.6 | 0 | 0 | 0 | 113.3 | P530 S531 Y585 I586 V587 P591 N592 L593 | P530-H589 HydrophobicContact CB-CB 3.95Å; S531-H589 VanDerWaalsContact CB-CE1 3.41Å; S531-H589 WeakPolarHBondContact CB-CE1 3.38Å; Y585-H589 PolarHBondContact O-CD2 3.12Å; Y585-H589 VanDerWaalsContact O-CD2 3.31Å; I586-H589 PolarHBondContact O-N 3.21Å; V587-H589 PolarHBondContact O-N 2.91Å; H589-P591 VanDerWaalsContact C-CD 3.42Å; H589-N592 PolarHBondContact O-N 3.03Å; H589-N592 VanDerWaalsContact O-N 3.13Å; H589-L593 HydrophobicContact CB-CD1 4.2Å; H589-L593 WeakPolarHBondContact O-CG 3.09Å; H589-L593 PolarHBondContact O-N 3.47Å |
| 590 | L | 89.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51.6 | -43.3 | -179.9 | -68.6 | 177.7 | 0 | 0 | 0 | 114.6 | I586 V587 N592 L593 I594 L619 V622 D623 F627 | I586-L590 HydrophobicContact CG2-CD2 4.12Å; I586-L590 HydrophobicContact CG2-CG 4.5Å; I586-L590 PolarHBondContact O-N 2.99Å; V587-L590 HydrophobicContact CB-CD1 4.4Å; V587-L590 HydrophobicContact CG2-CD1 4.2Å; V587-L590 PolarHBondContact O-N 3.49Å; L590-N592 VanDerWaalsContact C-N 3.32Å; L590-N592 PolarHBondContact O-N 2.98Å; L590-L593 HydrophobicContact CD2-CD1 4.49Å; L590-L593 PolarHBondContact O-N 2.93Å; L590-I594 PolarHBondContact O-N 2.91Å; L590-L619 HydrophobicContact CD2-CD2 3.82Å; L590-V622 HydrophobicContact CD1-CB 4.26Å; L590-V622 HydrophobicContact CD1-CG1 4.17Å; L590-V622 HydrophobicContact CD2-CB 4.33Å; L590-V622 HydrophobicContact CD2-CG1 4.47Å; L590-V622 HydrophobicContact CD2-CG2 4.37Å; L590-D623 HydrophobicContact CD1-CB 4.48Å; L590-F627 HydrophobicContact CB-CD1 3.88Å; L590-F627 HydrophobicContact CB-CD2 4.15Å; L590-F627 HydrophobicContact CB-CE1 3.55Å; L590-F627 HydrophobicContact CB-CE2 3.87Å; L590-F627 HydrophobicContact CB-CG 4.15Å; L590-F627 HydrophobicContact CB-CZ 3.55Å; L590-F627 HydrophobicContact CD1-CB 4.17Å; L590-F627 HydrophobicContact CD1-CD1 3.51Å; L590-F627 HydrophobicContact CD1-CE1 4.01Å; L590-F627 HydrophobicContact CD1-CG 3.8Å; L590-F627 HydrophobicContact CG-CD1 4.29Å; L590-F627 HydrophobicContact CG-CE1 4.32Å |
| 591 | P | 90.9 | Very high | 86.9 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 178.5 | -18.8 | 25.8 | 0 | 0 | 0 | 113 | H589 S595 F627 | H589-P591 VanDerWaalsContact C-CD 3.42Å; P591-S595 WeakPolarHBondContact O-CB 2.98Å; P591-S595 PolarHBondContact O-N 3.39Å; P591-F627 HydrophobicContact CB-CE2 4.26Å; P591-F627 HydrophobicContact CG-CD2 4.48Å; P591-F627 HydrophobicContact CG-CE2 3.73Å |
| 592 | N | 91.8 | Very high | 87.7 | Confident | 89 Ų | 89 | 41.7 Ų | 41.7 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75 | -38.4 | -178.8 | -65 | -13.8 | 0 | 0 | 0 | 111.3 | S534 H589 L590 S595 N596 | S534-N592 WeakPolarHBondContact OG-CB 3.48Å; H589-N592 PolarHBondContact O-N 3.03Å; H589-N592 VanDerWaalsContact O-N 3.13Å; L590-N592 VanDerWaalsContact C-N 3.32Å; L590-N592 PolarHBondContact O-N 2.98Å; N592-S595 PolarHBondContact O-N 3.21Å; N592-N596 WeakPolarHBondContact O-CB 3.4Å; N592-N596 PolarHBondContact O-N 3.47Å; N592-N596 PolarHBondContact O-ND2 3.2Å; N592-N596 PolarHBondContact O-OD1 3.42Å |
| 593 | L | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 176.5 | -71.2 | 168.9 | 0 | 0 | 0 | 110.9 | L533 M537 L553 L556 H589 L590 N596 L597 L619 | L533-L593 HydrophobicContact CB-CD2 3.77Å; M537-L593 HydrophobicContact CE-CB 4.27Å; M537-L593 HydrophobicContact CE-CD2 3.47Å; M537-L593 VanDerWaalsContact CE-CD2 3.47Å; M537-L593 HydrophobicContact CE-CG 4.49Å; L553-L593 HydrophobicContact CD2-CD2 4.07Å; L556-L593 HydrophobicContact CD1-CD1 4.01Å; H589-L593 HydrophobicContact CB-CD1 4.2Å; H589-L593 WeakPolarHBondContact O-CG 3.09Å; H589-L593 PolarHBondContact O-N 3.47Å; L590-L593 HydrophobicContact CD2-CD1 4.49Å; L590-L593 PolarHBondContact O-N 2.93Å; L593-N596 PolarHBondContact O-N 3.16Å; L593-L597 VanDerWaalsContact O-CB 3.25Å; L593-L597 WeakPolarHBondContact O-CB 3.13Å; L593-L597 PolarHBondContact O-N 3.46Å; L593-L619 HydrophobicContact CB-CD1 4.03Å; L593-L619 HydrophobicContact CB-CD2 4.39Å; L593-L619 HydrophobicContact CD1-CD2 4.07Å |
| 594 | I | 91.4 | Very high | 89 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 178.1 | -68.3 | -172.1 | 0 | 0 | 0 | 111 | L590 N596 L597 L598 L616 L619 L620 F627 I631 I635 | L590-I594 PolarHBondContact O-N 2.91Å; I594-N596 VanDerWaalsContact C-N 3.33Å; I594-N596 PolarHBondContact O-N 3.43Å; I594-L597 PolarHBondContact O-N 3.21Å; I594-L598 HydrophobicContact CG2-CD1 3.56Å; I594-L598 HydrophobicContact CG2-CG 4.14Å; I594-L598 WeakPolarHBondContact O-CD1 3.47Å; I594-L598 WeakPolarHBondContact O-CG 3.17Å; I594-L598 PolarHBondContact O-N 3.36Å; I594-L616 HydrophobicContact CD1-CD1 4.36Å; I594-L616 HydrophobicContact CG1-CD1 4.41Å; I594-L616 HydrophobicContact CG2-CD1 4.21Å; I594-L619 HydrophobicContact CD1-CB 4.49Å; I594-L619 HydrophobicContact CG1-CB 4.3Å; I594-L619 HydrophobicContact CG1-CD1 3.93Å; I594-L620 HydrophobicContact CD1-CD2 4.03Å; I594-F627 HydrophobicContact CD1-CE1 3.51Å; I594-F627 HydrophobicContact CD1-CZ 3.85Å; I594-I631 HydrophobicContact CD1-CD1 4.49Å; I594-I631 HydrophobicContact CG2-CD1 4.25Å; I594-I635 HydrophobicContact CD1-CD1 4.31Å; I594-I635 HydrophobicContact CG2-CD1 4.35Å |
| 595 | S | 92.2 | Very high | 89.3 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 49% | 0.49 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.6 | -45.6 | 178.7 | -173 | 0 | 0 | 0 | 0 | 112.1 | P591 N592 E599 | P591-S595 WeakPolarHBondContact O-CB 2.98Å; P591-S595 PolarHBondContact O-N 3.39Å; N592-S595 PolarHBondContact O-N 3.21Å; S595-E599 PolarHBondContact O-N 3.34Å; S595-E599 VanDerWaalsContact O-N 3.13Å |
| 596 | N | 93 | Very high | 89.6 | Confident | 25 Ų | 25 | 42 Ų | 42 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.6 | -36.4 | -179.1 | -65.3 | -9.8 | 0 | 0 | 0 | 111.8 | S534 M537 N592 L593 I594 E599 C600 | S534-N596 PolarHBondContact O-ND2 2.96Å; M537-N596 HydrophobicContact CB-CB 3.66Å; M537-N596 HydrophobicContact CE-CB 4.46Å; N592-N596 WeakPolarHBondContact O-CB 3.4Å; N592-N596 PolarHBondContact O-N 3.47Å; N592-N596 PolarHBondContact O-ND2 3.2Å; N592-N596 PolarHBondContact O-OD1 3.42Å; L593-N596 PolarHBondContact O-N 3.16Å; I594-N596 VanDerWaalsContact C-N 3.33Å; I594-N596 PolarHBondContact O-N 3.43Å; N596-E599 PolarHBondContact O-N 2.9Å; N596-C600 PolarHBondContact O-N 3.2Å; N596-C600 PolarHBondContact O-SG 3.4Å |
| 597 | L | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.9 | 178.5 | 64.2 | 0 | 0 | 0 | 111.8 | M537 M550 L553 L593 I594 E599 C600 L601 L616 L619 | M537-L597 HydrophobicContact SD-CB 4.43Å; M550-L597 HydrophobicContact CB-CD1 4.44Å; M550-L597 HydrophobicContact CE-CD1 3.82Å; M550-L597 HydrophobicContact CG-CD1 3.76Å; M550-L597 HydrophobicContact SD-CD1 4.31Å; L553-L597 HydrophobicContact CD1-CD1 3.79Å; L553-L597 HydrophobicContact CD1-CD2 3.92Å; L553-L597 HydrophobicContact CD1-CG 4.31Å; L593-L597 VanDerWaalsContact O-CB 3.25Å; L593-L597 WeakPolarHBondContact O-CB 3.13Å; L593-L597 PolarHBondContact O-N 3.46Å; I594-L597 PolarHBondContact O-N 3.21Å; L597-E599 VanDerWaalsContact C-N 3.28Å; L597-E599 PolarHBondContact O-N 3.5Å; L597-C600 WeakPolarHBondContact O-CB 3.32Å; L597-C600 PolarHBondContact O-N 3.49Å; L597-C600 VanDerWaalsContact O-N 3.15Å; L597-L601 PolarHBondContact O-N 2.88Å; L597-L616 HydrophobicContact CD2-CB 3.77Å; L597-L616 HydrophobicContact CD2-CD1 4.38Å; L597-L619 HydrophobicContact CD2-CD1 4.13Å |
| 598 | L | 90.7 | Very high | 90 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 179 | -64.5 | 166.4 | 0 | 0 | 0 | 111.5 | I594 L601 S602 L616 I638 | I594-L598 HydrophobicContact CG2-CD1 3.56Å; I594-L598 HydrophobicContact CG2-CG 4.14Å; I594-L598 WeakPolarHBondContact O-CD1 3.47Å; I594-L598 WeakPolarHBondContact O-CG 3.17Å; I594-L598 PolarHBondContact O-N 3.36Å; L598-L601 HydrophobicContact CD2-CD1 4.48Å; L598-S602 PolarHBondContact O-N 3.04Å; L598-L616 HydrophobicContact CD2-CD2 4.29Å; L598-I638 HydrophobicContact CB-CD1 4.34Å; L598-I638 HydrophobicContact CD1-CD1 3.49Å; L598-I638 VanDerWaalsContact CD1-CD1 3.49Å; L598-I638 HydrophobicContact CD2-CD1 3.83Å; L598-I638 HydrophobicContact CD2-CG2 3.99Å; L598-I638 HydrophobicContact CG-CD1 4.08Å |
| 599 | E | 91.3 | Very high | 90.1 | Very high | 68 Ų | 68 | 40.3 Ų | 40.3 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 172.1 | -174.6 | 172.6 | -177 | 0 | 0 | 111.9 | V539 S595 N596 L597 S602 T603 | V539-E599 WeakPolarHBondContact CG1-OE1 3.29Å; V539-E599 WeakPolarHBondContact CG2-OE1 3.43Å; V539-E599 WeakPolarHBondContact CG2-OE2 3.39Å; S595-E599 PolarHBondContact O-N 3.34Å; S595-E599 VanDerWaalsContact O-N 3.13Å; N596-E599 PolarHBondContact O-N 2.9Å; L597-E599 VanDerWaalsContact C-N 3.28Å; L597-E599 PolarHBondContact O-N 3.5Å; E599-S602 PolarHBondContact O-N 2.99Å; E599-S602 PolarHBondContact O-OG 3.32Å; E599-T603 WeakPolarHBondContact O-CB 3.36Å; E599-T603 PolarHBondContact O-N 3.23Å; E599-T603 PolarHBondContact O-OG1 3.16Å |
| 600 | C | 91.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | M550 N596 L597 S602 T603 F604 | M550-C600 HydrophobicContact CE-CB 4.48Å; M550-C600 HydrophobicContact SD-CB 3.54Å; M550-C600 VanDerWaalsContact SD-CB 3.54Å; N596-C600 PolarHBondContact O-N 3.2Å; N596-C600 PolarHBondContact O-SG 3.4Å; L597-C600 WeakPolarHBondContact O-CB 3.32Å; L597-C600 PolarHBondContact O-N 3.49Å; L597-C600 VanDerWaalsContact O-N 3.15Å; C600-S602 VanDerWaalsContact C-N 3.27Å; C600-S602 PolarHBondContact O-N 3.02Å; C600-T603 PolarHBondContact O-N 2.94Å; C600-F604 HydrophobicContact CB-CD2 4.13Å; C600-F604 HydrophobicContact CB-CE2 4.08Å; C600-F604 VanDerWaalsContact O-CD2 3.25Å; C600-F604 WeakPolarHBondContact O-CD2 3.36Å; C600-F604 PolarHBondContact O-N 3.18Å |
| 601 | L | 90.5 | Very high | 90.1 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.6 | -42.6 | 174.3 | -78.9 | 172.7 | 0 | 0 | 0 | 111.7 | L597 L598 T603 G605 V608 L609 L642 | L597-L601 PolarHBondContact O-N 2.88Å; L598-L601 HydrophobicContact CD2-CD1 4.48Å; L601-T603 VanDerWaalsContact C-N 3.31Å; L601-T603 PolarHBondContact O-N 2.87Å; L601-G605 PolarHBondContact O-N 3.32Å; L601-G605 VanDerWaalsContact O-N 3.14Å; L601-V608 HydrophobicContact CD2-CG2 4.35Å; L601-L609 HydrophobicContact CD2-CD1 4.12Å; L601-L642 HydrophobicContact CD1-CD1 4.4Å |
| 602 | S | 88.2 | Confident | 90.2 | Very high | 95 Ų | 95 | 37.4 Ų | 37.4 | 66% | 0.664 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69.8 | -25.7 | 177.5 | 75.5 | 0 | 0 | 0 | 0 | 114.1 | L598 E599 C600 | L598-S602 PolarHBondContact O-N 3.04Å; E599-S602 PolarHBondContact O-N 2.99Å; E599-S602 PolarHBondContact O-OG 3.32Å; C600-S602 VanDerWaalsContact C-N 3.27Å; C600-S602 PolarHBondContact O-N 3.02Å |
| 603 | T | 87.7 | Confident | 90.2 | Very high | 86 Ų | 86 | 33.1 Ų | 33.1 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -86 | -43.7 | -175.8 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | E599 C600 L601 | E599-T603 WeakPolarHBondContact O-CB 3.36Å; E599-T603 PolarHBondContact O-N 3.23Å; E599-T603 PolarHBondContact O-OG1 3.16Å; C600-T603 PolarHBondContact O-N 2.94Å; L601-T603 VanDerWaalsContact C-N 3.31Å; L601-T603 PolarHBondContact O-N 2.87Å |
| 604 | F | 86.8 | Confident | 90.1 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -95.5 | -27.2 | -172.7 | -60 | -54.3 | 0 | 0 | 0 | 113.2 | I381 K546 I547 C600 P607 V608 | I381-F604 HydrophobicContact CD1-CD1 3.46Å; I381-F604 VanDerWaalsContact CD1-CD1 3.46Å; I381-F604 HydrophobicContact CD1-CE1 3.47Å; I381-F604 VanDerWaalsContact CD1-CE1 3.47Å; K546-F604 HydrophobicContact CB-CE2 4.1Å; K546-F604 HydrophobicContact CB-CZ 4.35Å; K546-F604 HydrophobicContact CD-CE2 4.16Å; K546-F604 HydrophobicContact CD-CZ 3.96Å; I547-F604 HydrophobicContact CG1-CE2 4.47Å; C600-F604 HydrophobicContact CB-CD2 4.13Å; C600-F604 HydrophobicContact CB-CE2 4.08Å; C600-F604 VanDerWaalsContact O-CD2 3.25Å; C600-F604 WeakPolarHBondContact O-CD2 3.36Å; C600-F604 PolarHBondContact O-N 3.18Å; F604-P607 WeakPolarHBondContact O-CD 3.47Å; F604-V608 HydrophobicContact CB-CB 4.39Å; F604-V608 HydrophobicContact CB-CG1 3.94Å; F604-V608 HydrophobicContact CB-CG2 3.5Å; F604-V608 HydrophobicContact CD2-CG1 4.27Å; F604-V608 HydrophobicContact CD2-CG2 4.19Å; F604-V608 HydrophobicContact CG-CG1 4.3Å; F604-V608 HydrophobicContact CG-CG2 4.32Å |
| 605 | G | 86.1 | Confident | 90.1 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | trans | 75.1 | -140 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L601 P607 | L601-G605 PolarHBondContact O-N 3.32Å; L601-G605 VanDerWaalsContact O-N 3.14Å; G605-P607 VanDerWaalsContact C-CD 3.45Å | ||
| 606 | E | 87 | Confident | 90.1 | Very high | 125 Ų | 125 | 30.6 Ų | 30.6 | 58% | 0.584 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -60.1 | -38.4 | -171.4 | -69.1 | 174.9 | -178.8 | 0 | 0 | 115.7 | V608 L609 H645 | E606-V608 PolarHBondContact O-N 3Å; E606-L609 VanDerWaalsContact O-CB 3.3Å; E606-L609 WeakPolarHBondContact O-CB 3.39Å; E606-L609 PolarHBondContact O-N 3.46Å; E606-H645 IonicContact OE1-CE1 2.81Å; E606-H645 IonicContact OE1-CG 2.7Å; E606-H645 IonicContact OE1-ND1 3.22Å; E606-H645 PolarHBondContact OE1-ND1 3.2Å |
| 607 | P | 86.5 | Confident | 90 | Very high | 60 Ų | 60 | 29.8 Ų | 29.8 | 39% | 0.39 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -58.9 | -22.1 | -177.4 | -26.7 | 34.9 | 0 | 0 | 0 | 115.5 | A382 V385 F604 G605 | A382-P607 HydrophobicContact CB-CB 4.27Å; V385-P607 WeakPolarHBondContact CG1-O 3.47Å; F604-P607 WeakPolarHBondContact O-CD 3.47Å; G605-P607 VanDerWaalsContact C-CD 3.45Å |
| 608 | V | 90.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -114.1 | 7.2 | 179.8 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | I381 V385 I547 M550 L601 F604 E606 D610 G612 | I381-V608 HydrophobicContact CG2-CG1 4.29Å; V385-V608 HydrophobicContact CG2-CG1 4.06Å; I547-V608 HydrophobicContact CG1-CG1 4.08Å; M550-V608 HydrophobicContact CE-CB 3.87Å; M550-V608 HydrophobicContact CE-CG2 4.01Å; L601-V608 HydrophobicContact CD2-CG2 4.35Å; F604-V608 HydrophobicContact CB-CB 4.39Å; F604-V608 HydrophobicContact CB-CG1 3.94Å; F604-V608 HydrophobicContact CB-CG2 3.5Å; F604-V608 HydrophobicContact CD2-CG1 4.27Å; F604-V608 HydrophobicContact CD2-CG2 4.19Å; F604-V608 HydrophobicContact CG-CG1 4.3Å; F604-V608 HydrophobicContact CG-CG2 4.32Å; E606-V608 PolarHBondContact O-N 3Å; V608-D610 PolarHBondContact O-N 3.45Å; V608-G612 PolarHBondContact O-N 3.09Å |
| 609 | L | 91.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | -170 | -178.1 | 61.8 | 0 | 0 | 0 | 111.6 | L601 E606 G612 L613 L642 H645 T652 | L601-L609 HydrophobicContact CD2-CD1 4.12Å; E606-L609 VanDerWaalsContact O-CB 3.3Å; E606-L609 WeakPolarHBondContact O-CB 3.39Å; E606-L609 PolarHBondContact O-N 3.46Å; L609-G612 PolarHBondContact O-N 3.28Å; L609-L613 HydrophobicContact CD1-CD1 3.89Å; L609-L613 HydrophobicContact CD1-CG 3.95Å; L609-L613 HydrophobicContact CG-CD1 3.91Å; L609-L613 HydrophobicContact CG-CG 4.35Å; L609-L613 WeakPolarHBondContact O-CB 3.22Å; L609-L613 VanDerWaalsContact O-CG 3.25Å; L609-L613 WeakPolarHBondContact O-CG 3.29Å; L609-L613 PolarHBondContact O-N 3.45Å; L609-L642 HydrophobicContact CD1-CD2 4.15Å; L609-H645 HydrophobicContact CD2-CB 3.76Å; L609-H645 VanDerWaalsContact CD2-O 3.3Å; L609-H645 WeakPolarHBondContact CD2-O 3.07Å; L609-T652 HydrophobicContact CD2-CG2 4.26Å; L609-T652 HydrophobicContact CG-CG2 4.2Å |
| 610 | D | 89.3 | Confident | 89.6 | Confident | 43 Ų | 43 | 27.1 Ų | 27.1 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -54.8 | 179.5 | -166.5 | 76.2 | 0 | 0 | 0 | 111.8 | V608 G612 L613 C614 T651 T652 | V608-D610 PolarHBondContact O-N 3.45Å; D610-G612 VanDerWaalsContact C-N 3.26Å; D610-G612 PolarHBondContact O-N 2.82Å; D610-L613 PolarHBondContact O-N 2.74Å; D610-C614 WeakPolarHBondContact O-CB 3.48Å; D610-C614 PolarHBondContact O-N 3.11Å; D610-T651 WeakPolarHBondContact OD1-CB 3.46Å; D610-T651 PolarHBondContact OD1-OG1 3.03Å; D610-T652 HydrophobicContact CB-CG2 4.01Å; D610-T652 PolarHBondContact OD1-N 3.26Å |
| 611 | I | 90.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -42 | 176.8 | -56 | 154.4 | 0 | 0 | 0 | 110.9 | V385 M550 H551 C614 G615 | V385-I611 HydrophobicContact CB-CD1 4.4Å; V385-I611 HydrophobicContact CG1-CD1 3.53Å; V385-I611 HydrophobicContact CG2-CD1 4.09Å; M550-I611 HydrophobicContact CB-CG2 3.92Å; H551-I611 HydrophobicContact CB-CG2 4.39Å; H551-I611 WeakPolarHBondContact CE1-CD1 3.27Å; H551-I611 VanDerWaalsContact CE1-CG1 3.45Å; H551-I611 WeakPolarHBondContact CE1-CG1 3.35Å; H551-I611 WeakPolarHBondContact NE2-CD1 3.42Å; I611-C614 PolarHBondContact O-N 3.26Å; I611-G615 PolarHBondContact O-N 2.95Å |
| 612 | G | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.3 | -38.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V608 L609 D610 L616 | V608-G612 PolarHBondContact O-N 3.09Å; L609-G612 PolarHBondContact O-N 3.28Å; D610-G612 VanDerWaalsContact C-N 3.26Å; D610-G612 PolarHBondContact O-N 2.82Å; G612-L616 VanDerWaalsContact O-CB 3.31Å; G612-L616 WeakPolarHBondContact O-CB 3.43Å; G612-L616 PolarHBondContact O-N 3.39Å |
| 613 | L | 92.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70 | -40.5 | 173 | -70.9 | 174.7 | 0 | 0 | 0 | 111.3 | L609 D610 L616 Y617 M639 L642 I659 | L609-L613 HydrophobicContact CD1-CD1 3.89Å; L609-L613 HydrophobicContact CD1-CG 3.95Å; L609-L613 HydrophobicContact CG-CD1 3.91Å; L609-L613 HydrophobicContact CG-CG 4.35Å; L609-L613 WeakPolarHBondContact O-CB 3.22Å; L609-L613 VanDerWaalsContact O-CG 3.25Å; L609-L613 WeakPolarHBondContact O-CG 3.29Å; L609-L613 PolarHBondContact O-N 3.45Å; D610-L613 PolarHBondContact O-N 2.74Å; L613-L616 PolarHBondContact O-N 2.85Å; L613-Y617 WeakPolarHBondContact O-CB 3.31Å; L613-Y617 PolarHBondContact O-N 2.95Å; L613-M639 HydrophobicContact CD2-CE 4.2Å; L613-L642 HydrophobicContact CD2-CD1 4.25Å; L613-I659 HydrophobicContact CB-CD1 4.29Å; L613-I659 HydrophobicContact CD2-CD1 3.85Å |
| 614 | C | 91 | Very high | 88.5 | Confident | 16 Ų | 16 | 23.9 Ų | 23.9 | 11% | 0.108 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.7 | -51.2 | 173 | -178.4 | 0 | 0 | 0 | 0 | 111 | D610 I611 L616 Y617 K618 Y655 | D610-C614 WeakPolarHBondContact O-CB 3.48Å; D610-C614 PolarHBondContact O-N 3.11Å; I611-C614 PolarHBondContact O-N 3.26Å; C614-L616 VanDerWaalsContact C-N 3.33Å; C614-L616 PolarHBondContact O-N 2.98Å; C614-Y617 WeakPolarHBondContact O-CB 3.45Å; C614-Y617 PolarHBondContact O-N 3.03Å; C614-K618 VanDerWaalsContact O-CG 3.3Å; C614-K618 WeakPolarHBondContact O-CG 3.47Å; C614-K618 PolarHBondContact O-N 3.2Å; C614-Y655 HydrophobicContact CB-CD1 4.22Å; C614-Y655 HydrophobicContact CB-CD2 4.22Å; C614-Y655 HydrophobicContact CB-CE1 3.87Å; C614-Y655 HydrophobicContact CB-CE2 3.86Å; C614-Y655 HydrophobicContact CB-CG 4.4Å |
| 615 | G | 90.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I611 K618 L619 | I611-G615 PolarHBondContact O-N 2.95Å; G615-K618 PolarHBondContact O-N 3.34Å; G615-L619 WeakPolarHBondContact O-CB 3.25Å; G615-L619 VanDerWaalsContact O-CG 3.25Å; G615-L619 WeakPolarHBondContact O-CG 3.47Å; G615-L619 PolarHBondContact O-N 2.79Å |
| 616 | L | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 177.1 | -178.1 | 59.8 | 0 | 0 | 0 | 111.4 | I594 L597 L598 G612 L613 C614 L619 L620 I635 M639 I659 | I594-L616 HydrophobicContact CD1-CD1 4.36Å; I594-L616 HydrophobicContact CG1-CD1 4.41Å; I594-L616 HydrophobicContact CG2-CD1 4.21Å; L597-L616 HydrophobicContact CD2-CB 3.77Å; L597-L616 HydrophobicContact CD2-CD1 4.38Å; L598-L616 HydrophobicContact CD2-CD2 4.29Å; G612-L616 VanDerWaalsContact O-CB 3.31Å; G612-L616 WeakPolarHBondContact O-CB 3.43Å; G612-L616 PolarHBondContact O-N 3.39Å; L613-L616 PolarHBondContact O-N 2.85Å; C614-L616 VanDerWaalsContact C-N 3.33Å; C614-L616 PolarHBondContact O-N 2.98Å; L616-L619 PolarHBondContact O-N 3.34Å; L616-L620 HydrophobicContact CD1-CD1 4.11Å; L616-L620 HydrophobicContact CD1-CG 4.25Å; L616-L620 HydrophobicContact CG-CD1 4Å; L616-L620 WeakPolarHBondContact O-CB 3.23Å; L616-L620 VanDerWaalsContact O-CG 3.23Å; L616-L620 WeakPolarHBondContact O-CG 3.44Å; L616-L620 PolarHBondContact O-N 2.94Å; L616-I635 HydrophobicContact CD1-CD1 4.32Å; L616-M639 HydrophobicContact CD2-SD 3.95Å; L616-I659 HydrophobicContact CB-CD1 4.32Å; L616-I659 HydrophobicContact CD2-CD1 4.13Å; L616-I659 HydrophobicContact CG-CD1 4.27Å |
| 617 | Y | 91.3 | Very high | 88 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.3 | -49.9 | 176.2 | 170.9 | -111.5 | 0 | 0 | 0 | 111.7 | L613 C614 L620 C621 Y655 K658 I659 V662 | L613-Y617 WeakPolarHBondContact O-CB 3.31Å; L613-Y617 PolarHBondContact O-N 2.95Å; C614-Y617 WeakPolarHBondContact O-CB 3.45Å; C614-Y617 PolarHBondContact O-N 3.03Å; Y617-L620 PolarHBondContact O-N 3.05Å; Y617-C621 PolarHBondContact O-N 3.03Å; Y617-C621 PolarHBondContact O-SG 3.18Å; Y617-Y655 HydrophobicContact CD1-CD1 4.35Å; Y617-K658 HydrophobicContact CD2-CB 3.89Å; Y617-K658 HydrophobicContact CE2-CB 3.74Å; Y617-I659 HydrophobicContact CD2-CG1 4.22Å; Y617-I659 HydrophobicContact CG-CG1 4.43Å; Y617-V662 HydrophobicContact CD2-CG2 4.19Å; Y617-V662 HydrophobicContact CE2-CG2 3.65Å |
| 618 | K | 87.9 | Confident | 87.9 | Confident | 41 Ų | 41 | 27.2 Ų | 27.2 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | -178.6 | -64.1 | -72.7 | -176.7 | 172.6 | 0 | 111.4 | D554 C614 G615 L620 C621 D1070 | D554-K618 HydrophobicContact CB-CG 4.29Å; C614-K618 VanDerWaalsContact O-CG 3.3Å; C614-K618 WeakPolarHBondContact O-CG 3.47Å; C614-K618 PolarHBondContact O-N 3.2Å; G615-K618 PolarHBondContact O-N 3.34Å; K618-L620 PolarHBondContact O-N 3.2Å; K618-C621 PolarHBondContact O-N 3.26Å; K618-D1070 IonicContact NZ-OD2 3.72Å; K618-D1070 PolarHBondContact NZ-OD2 3.24Å; K618-D1070 VanDerWaalsContact NZ-OD2 3.17Å |
| 619 | L | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.9 | -74.4 | 177.3 | 0 | 0 | 0 | 112.7 | L553 L556 L590 L593 I594 L597 G615 L616 C621 V622 | L553-L619 HydrophobicContact CD1-CD1 3.97Å; L553-L619 HydrophobicContact CD2-CD1 4.12Å; L553-L619 HydrophobicContact CD2-CD2 4.24Å; L553-L619 HydrophobicContact CD2-CG 4.42Å; L556-L619 HydrophobicContact CD1-CD2 3.82Å; L590-L619 HydrophobicContact CD2-CD2 3.82Å; L593-L619 HydrophobicContact CB-CD1 4.03Å; L593-L619 HydrophobicContact CB-CD2 4.39Å; L593-L619 HydrophobicContact CD1-CD2 4.07Å; I594-L619 HydrophobicContact CD1-CB 4.49Å; I594-L619 HydrophobicContact CG1-CB 4.3Å; I594-L619 HydrophobicContact CG1-CD1 3.93Å; L597-L619 HydrophobicContact CD2-CD1 4.13Å; G615-L619 WeakPolarHBondContact O-CB 3.25Å; G615-L619 VanDerWaalsContact O-CG 3.25Å; G615-L619 WeakPolarHBondContact O-CG 3.47Å; G615-L619 PolarHBondContact O-N 2.79Å; L616-L619 PolarHBondContact O-N 3.34Å; L619-C621 PolarHBondContact O-N 3.32Å; L619-V622 WeakPolarHBondContact O-CB 3.5Å; L619-V622 WeakPolarHBondContact O-CG2 3.42Å; L619-V622 PolarHBondContact O-N 3.25Å |
| 620 | L | 88.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67 | -24.5 | 178 | -70 | 169.9 | 0 | 0 | 0 | 113 | I594 L616 Y617 K618 V622 L624 T628 I631 I635 I659 V662 L663 | I594-L620 HydrophobicContact CD1-CD2 4.03Å; L616-L620 HydrophobicContact CD1-CD1 4.11Å; L616-L620 HydrophobicContact CD1-CG 4.25Å; L616-L620 HydrophobicContact CG-CD1 4Å; L616-L620 WeakPolarHBondContact O-CB 3.23Å; L616-L620 VanDerWaalsContact O-CG 3.23Å; L616-L620 WeakPolarHBondContact O-CG 3.44Å; L616-L620 PolarHBondContact O-N 2.94Å; Y617-L620 PolarHBondContact O-N 3.05Å; K618-L620 PolarHBondContact O-N 3.2Å; L620-V622 VanDerWaalsContact C-N 3.33Å; L620-L624 WeakPolarHBondContact O-CD2 3.14Å; L620-T628 HydrophobicContact CB-CG2 4.38Å; L620-T628 HydrophobicContact CD2-CG2 3.93Å; L620-T628 PolarHBondContact O-OG1 3.04Å; L620-I631 HydrophobicContact CD2-CG2 4.3Å; L620-I635 HydrophobicContact CD1-CD1 4.2Å; L620-I635 HydrophobicContact CD2-CD1 3.43Å; L620-I635 VanDerWaalsContact CD2-CD1 3.43Å; L620-I635 HydrophobicContact CG-CD1 4.3Å; L620-I659 HydrophobicContact CD1-CG2 3.81Å; L620-V662 HydrophobicContact CB-CG1 4.35Å; L620-L663 HydrophobicContact CD1-CD2 4.14Å; L620-L663 HydrophobicContact CD1-CG 4.46Å; L620-L663 HydrophobicContact CD2-CD2 4.31Å |
| 621 | C | 85.5 | Confident | 87.6 | Confident | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.135 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -7.1 | 177.1 | -66.2 | 0 | 0 | 0 | 0 | 114.1 | Y617 K618 L619 | Y617-C621 PolarHBondContact O-N 3.03Å; Y617-C621 PolarHBondContact O-SG 3.18Å; K618-C621 PolarHBondContact O-N 3.26Å; L619-C621 PolarHBondContact O-N 3.32Å |
| 622 | V | 82.9 | Confident | 87.5 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -49.2 | -178.1 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | I582 I586 L590 L619 L620 | I582-V622 HydrophobicContact CG2-CG1 3.72Å; I586-V622 HydrophobicContact CB-CG1 4.41Å; I586-V622 HydrophobicContact CG2-CG1 3.82Å; L590-V622 HydrophobicContact CD1-CB 4.26Å; L590-V622 HydrophobicContact CD1-CG1 4.17Å; L590-V622 HydrophobicContact CD2-CB 4.33Å; L590-V622 HydrophobicContact CD2-CG1 4.47Å; L590-V622 HydrophobicContact CD2-CG2 4.37Å; L619-V622 WeakPolarHBondContact O-CB 3.5Å; L619-V622 WeakPolarHBondContact O-CG2 3.42Å; L619-V622 PolarHBondContact O-N 3.25Å; L620-V622 VanDerWaalsContact C-N 3.33Å |
| 623 | D | 83 | Confident | 87.3 | Confident | 27 Ų | 27 | 36.1 Ų | 36.1 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | trans | -137.4 | 85.8 | 178.4 | 175.4 | 22.7 | 0 | 0 | 0 | 111 | V587 L590 H625 Q626 F627 T628 | V587-D623 HydrophobicContact CG2-CB 3.97Å; L590-D623 HydrophobicContact CD1-CB 4.48Å; D623-H625 PolarHBondContact O-N 3.32Å; D623-H625 PolarHBondContact OD1-N 3.4Å; D623-Q626 PolarHBondContact OD1-N 3.34Å; D623-Q626 WeakPolarHBondContact OD2-CB 3.46Å; D623-F627 HydrophobicContact CB-CB 4.1Å; D623-F627 WeakPolarHBondContact OD2-CB 3.37Å; D623-F627 PolarHBondContact OD2-N 3.17Å; D623-T628 WeakPolarHBondContact O-CB 3.34Å; D623-T628 PolarHBondContact O-N 3.25Å; D623-T628 PolarHBondContact O-OG1 3.48Å; D623-T628 VanDerWaalsContact O-OG1 3.11Å | ||
| 624 | L | 82.9 | Confident | 87.1 | Confident | 60 Ų | 60 | 42.1 Ų | 42.1 | 31% | 0.314 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -62.6 | -39.6 | -178.4 | -66.4 | 173.2 | 0 | 0 | 0 | 112.7 | L620 V662 V666 | L620-L624 WeakPolarHBondContact O-CD2 3.14Å; L624-V662 HydrophobicContact CD2-CG1 3.63Å; L624-V666 HydrophobicContact CB-CG2 3.96Å; L624-V666 HydrophobicContact CD2-CG2 3.82Å; L624-V666 HydrophobicContact CG-CG2 4.48Å; L624-V666 WeakPolarHBondContact O-CG1 3.45Å; L624-V666 WeakPolarHBondContact O-CG2 3.1Å |
| 625 | H | 78.8 | Confident | 87.1 | Confident | 153 Ų | 153 | 41.4 Ų | 41.4 | 71% | 0.708 | 21% | 0.213 | S | C | * | . | I | π-helix | trans | -89.8 | -24.2 | -164.1 | -65.9 | -59.5 | 0 | 0 | 0 | 114.6 | D623 Q629 | D623-H625 PolarHBondContact O-N 3.32Å; D623-H625 PolarHBondContact OD1-N 3.4Å; H625-Q629 PolarHBondContact O-OE1 3.03Å |
| 626 | Q | 83.1 | Confident | 87.1 | Confident | 147 Ų | 147 | 41.7 Ų | 41.7 | 69% | 0.687 | 21% | 0.214 | S | C | * | . | I | π-helix | trans | -115.3 | -63.9 | 178 | -53.4 | -176.3 | 7.2 | 0 | 0 | 111.7 | D623 S630 | D623-Q626 PolarHBondContact OD1-N 3.34Å; D623-Q626 WeakPolarHBondContact OD2-CB 3.46Å; Q626-S630 PolarHBondContact O-N 3.22Å |
| 627 | F | 86.8 | Confident | 87.1 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -67.2 | -53.8 | -173.6 | 175.9 | -100.6 | 0 | 0 | 0 | 112.7 | L590 P591 I594 D623 Q629 S630 I631 | L590-F627 HydrophobicContact CB-CD1 3.88Å; L590-F627 HydrophobicContact CB-CD2 4.15Å; L590-F627 HydrophobicContact CB-CE1 3.55Å; L590-F627 HydrophobicContact CB-CE2 3.87Å; L590-F627 HydrophobicContact CB-CG 4.15Å; L590-F627 HydrophobicContact CB-CZ 3.55Å; L590-F627 HydrophobicContact CD1-CB 4.17Å; L590-F627 HydrophobicContact CD1-CD1 3.51Å; L590-F627 HydrophobicContact CD1-CE1 4.01Å; L590-F627 HydrophobicContact CD1-CG 3.8Å; L590-F627 HydrophobicContact CG-CD1 4.29Å; L590-F627 HydrophobicContact CG-CE1 4.32Å; P591-F627 HydrophobicContact CB-CE2 4.26Å; P591-F627 HydrophobicContact CG-CD2 4.48Å; P591-F627 HydrophobicContact CG-CE2 3.73Å; I594-F627 HydrophobicContact CD1-CE1 3.51Å; I594-F627 HydrophobicContact CD1-CZ 3.85Å; D623-F627 HydrophobicContact CB-CB 4.1Å; D623-F627 WeakPolarHBondContact OD2-CB 3.37Å; D623-F627 PolarHBondContact OD2-N 3.17Å; F627-Q629 VanDerWaalsContact C-N 3.28Å; F627-Q629 PolarHBondContact O-N 3.31Å; F627-S630 WeakPolarHBondContact O-CB 3.38Å; F627-S630 PolarHBondContact O-N 3.13Å; F627-S630 PolarHBondContact O-OG 3.05Å; F627-I631 HydrophobicContact CE1-CG2 4.38Å; F627-I631 HydrophobicContact CE2-CD1 4.25Å; F627-I631 HydrophobicContact CZ-CD1 3.75Å; F627-I631 PolarHBondContact O-N 2.6Å |
| 628 | T | 86 | Confident | 87 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -59.4 | -41 | -176.9 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | L620 D623 S630 I631 I632 L663 V666 | L620-T628 HydrophobicContact CB-CG2 4.38Å; L620-T628 HydrophobicContact CD2-CG2 3.93Å; L620-T628 PolarHBondContact O-OG1 3.04Å; D623-T628 WeakPolarHBondContact O-CB 3.34Å; D623-T628 PolarHBondContact O-N 3.25Å; D623-T628 PolarHBondContact O-OG1 3.48Å; D623-T628 VanDerWaalsContact O-OG1 3.11Å; T628-S630 VanDerWaalsContact C-N 3.25Å; T628-S630 PolarHBondContact O-N 2.89Å; T628-I631 PolarHBondContact O-N 3.31Å; T628-I632 VanDerWaalsContact O-CG1 3.25Å; T628-I632 WeakPolarHBondContact O-CG1 3.5Å; T628-I632 PolarHBondContact O-N 3.12Å; T628-L663 HydrophobicContact CG2-CD2 3.96Å; T628-V666 HydrophobicContact CG2-CB 4.49Å; T628-V666 HydrophobicContact CG2-CG1 4.39Å; T628-V666 HydrophobicContact CG2-CG2 4.09Å |
| 629 | Q | 85.6 | Confident | 87.2 | Confident | 67 Ų | 67 | 46 Ų | 46 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.8 | -33.9 | 175.4 | -168.9 | 176.3 | -15.8 | 0 | 0 | 113 | H625 F627 V666 | H625-Q629 PolarHBondContact O-OE1 3.03Å; F627-Q629 VanDerWaalsContact C-N 3.28Å; F627-Q629 PolarHBondContact O-N 3.31Å; Q629-V666 HydrophobicContact CB-CG1 3.65Å; Q629-V666 HydrophobicContact CG-CG1 4.16Å |
| 630 | S | 88.3 | Confident | 87.3 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 54% | 0.538 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.7 | -25.1 | -177.9 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | Q626 F627 T628 | Q626-S630 PolarHBondContact O-N 3.22Å; F627-S630 WeakPolarHBondContact O-CB 3.38Å; F627-S630 PolarHBondContact O-N 3.13Å; F627-S630 PolarHBondContact O-OG 3.05Å; T628-S630 VanDerWaalsContact C-N 3.25Å; T628-S630 PolarHBondContact O-N 2.89Å |
| 631 | I | 89.4 | Confident | 87.3 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -105.5 | -3.9 | -171.3 | -151.1 | 165 | 0 | 0 | 0 | 113.6 | I594 L620 F627 T628 T633 Q634 I635 | I594-I631 HydrophobicContact CD1-CD1 4.49Å; I594-I631 HydrophobicContact CG2-CD1 4.25Å; L620-I631 HydrophobicContact CD2-CG2 4.3Å; F627-I631 HydrophobicContact CE1-CG2 4.38Å; F627-I631 HydrophobicContact CE2-CD1 4.25Å; F627-I631 HydrophobicContact CZ-CD1 3.75Å; F627-I631 PolarHBondContact O-N 2.6Å; T628-I631 PolarHBondContact O-N 3.31Å; I631-T633 VanDerWaalsContact C-N 3.26Å; I631-T633 PolarHBondContact O-N 3.16Å; I631-T633 VanDerWaalsContact O-N 3.15Å; I631-Q634 HydrophobicContact CG1-CB 3.99Å; I631-Q634 HydrophobicContact CG1-CG 4.3Å; I631-Q634 WeakPolarHBondContact O-CA 3.47Å; I631-Q634 WeakPolarHBondContact O-CB 3.44Å; I631-Q634 PolarHBondContact O-N 3.31Å; I631-I635 HydrophobicContact CG1-CD1 4.45Å; I631-I635 HydrophobicContact CG1-CG1 4.31Å; I631-I635 HydrophobicContact CG2-CD1 3.49Å; I631-I635 VanDerWaalsContact CG2-CD1 3.49Å; I631-I635 HydrophobicContact CG2-CG1 4.11Å; I631-I635 PolarHBondContact O-N 2.91Å; I631-I635 VanDerWaalsContact O-N 3.12Å |
| 632 | I | 89.2 | Confident | 87.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -46.1 | -49.1 | -179.4 | -64.1 | -178.2 | 0 | 0 | 0 | 111.8 | T628 Q634 I635 I636 L663 V666 A667 I677 | T628-I632 VanDerWaalsContact O-CG1 3.25Å; T628-I632 WeakPolarHBondContact O-CG1 3.5Å; T628-I632 PolarHBondContact O-N 3.12Å; I632-Q634 PolarHBondContact O-N 3.36Å; I632-I635 PolarHBondContact O-N 2.91Å; I632-I636 HydrophobicContact CG2-CD1 3.98Å; I632-I636 HydrophobicContact CG2-CG1 4.16Å; I632-I636 WeakPolarHBondContact O-CB 3.29Å; I632-I636 WeakPolarHBondContact O-CD1 3.39Å; I632-I636 WeakPolarHBondContact O-CG1 3.33Å; I632-I636 PolarHBondContact O-N 3.36Å; I632-I636 VanDerWaalsContact O-N 3.09Å; I632-L663 HydrophobicContact CG1-CD2 4.24Å; I632-V666 HydrophobicContact CD1-CG1 4.2Å; I632-A667 HydrophobicContact CD1-CB 4.13Å; I632-I677 HydrophobicContact CG2-CD1 3.85Å; I632-I677 HydrophobicContact CG2-CG1 3.67Å |
| 633 | T | 87.2 | Confident | 87.7 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.8 | -16.5 | -176.4 | 54 | 0 | 0 | 0 | 0 | 113.9 | I631 P637 A676 | I631-T633 VanDerWaalsContact C-N 3.26Å; I631-T633 PolarHBondContact O-N 3.16Å; I631-T633 VanDerWaalsContact O-N 3.15Å; T633-P637 WeakPolarHBondContact O-CD 3.28Å; T633-A676 HydrophobicContact CG2-CB 4.37Å |
| 634 | Q | 89.4 | Confident | 87.9 | Confident | 125 Ų | 125 | 54.5 Ų | 54.5 | 58% | 0.584 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -90.7 | -36.4 | 176.3 | -57.1 | 179 | 27 | 0 | 0 | 111.7 | I631 I632 | I631-Q634 HydrophobicContact CG1-CB 3.99Å; I631-Q634 HydrophobicContact CG1-CG 4.3Å; I631-Q634 WeakPolarHBondContact O-CA 3.47Å; I631-Q634 WeakPolarHBondContact O-CB 3.44Å; I631-Q634 PolarHBondContact O-N 3.31Å; I632-Q634 PolarHBondContact O-N 3.36Å |
| 635 | I | 90.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -79.3 | -40.2 | -176.6 | -66.8 | -177.8 | 0 | 0 | 0 | 112 | I594 L616 L620 I631 I632 I638 M639 L663 | I594-I635 HydrophobicContact CD1-CD1 4.31Å; I594-I635 HydrophobicContact CG2-CD1 4.35Å; L616-I635 HydrophobicContact CD1-CD1 4.32Å; L620-I635 HydrophobicContact CD1-CD1 4.2Å; L620-I635 HydrophobicContact CD2-CD1 3.43Å; L620-I635 VanDerWaalsContact CD2-CD1 3.43Å; L620-I635 HydrophobicContact CG-CD1 4.3Å; I631-I635 HydrophobicContact CG1-CD1 4.45Å; I631-I635 HydrophobicContact CG1-CG1 4.31Å; I631-I635 HydrophobicContact CG2-CD1 3.49Å; I631-I635 VanDerWaalsContact CG2-CD1 3.49Å; I631-I635 HydrophobicContact CG2-CG1 4.11Å; I631-I635 PolarHBondContact O-N 2.91Å; I631-I635 VanDerWaalsContact O-N 3.12Å; I632-I635 PolarHBondContact O-N 2.91Å; I635-I638 WeakPolarHBondContact O-CA 3.14Å; I635-I638 WeakPolarHBondContact O-CB 3.36Å; I635-I638 PolarHBondContact O-N 3.36Å; I635-M639 HydrophobicContact CG2-CG 3.8Å; I635-M639 HydrophobicContact CG2-SD 4.18Å; I635-M639 PolarHBondContact O-N 3.37Å; I635-L663 HydrophobicContact CG2-CD1 3.97Å |
| 636 | I | 91.2 | Very high | 88.4 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.8 | -47.1 | -174.8 | -87 | 28.2 | 0 | 0 | 0 | 113.5 | I632 I638 M639 V640 L663 I677 A680 | I632-I636 HydrophobicContact CG2-CD1 3.98Å; I632-I636 HydrophobicContact CG2-CG1 4.16Å; I632-I636 WeakPolarHBondContact O-CB 3.29Å; I632-I636 WeakPolarHBondContact O-CD1 3.39Å; I632-I636 WeakPolarHBondContact O-CG1 3.33Å; I632-I636 PolarHBondContact O-N 3.36Å; I632-I636 VanDerWaalsContact O-N 3.09Å; I636-I638 PolarHBondContact O-N 3.47Å; I636-M639 PolarHBondContact O-N 3Å; I636-V640 WeakPolarHBondContact O-CG2 3.39Å; I636-V640 PolarHBondContact O-N 3.44Å; I636-L663 HydrophobicContact CD1-CB 4.29Å; I636-L663 HydrophobicContact CD1-CD1 3.37Å; I636-L663 HydrophobicContact CD1-CG 4.29Å; I636-I677 HydrophobicContact CD1-CG1 4.12Å; I636-I677 HydrophobicContact CG1-CB 4.26Å; I636-I677 HydrophobicContact CG1-CG1 3.68Å; I636-I677 HydrophobicContact CG1-CG2 4.37Å; I636-A680 HydrophobicContact CG2-CB 3.17Å |
| 637 | P | 90.8 | Very high | 88.3 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.2 | -31 | 177.2 | -25.5 | 35.3 | 0 | 0 | 0 | 113.5 | T633 G641 | T633-P637 WeakPolarHBondContact O-CD 3.28Å; P637-G641 PolarHBondContact O-N 3.03Å |
| 638 | I | 90 | Very high | 87.5 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.5 | -43.5 | 178.6 | -55 | 171.9 | 0 | 0 | 0 | 110 | L598 I635 I636 V640 G641 L642 | L598-I638 HydrophobicContact CB-CD1 4.34Å; L598-I638 HydrophobicContact CD1-CD1 3.49Å; L598-I638 VanDerWaalsContact CD1-CD1 3.49Å; L598-I638 HydrophobicContact CD2-CD1 3.83Å; L598-I638 HydrophobicContact CD2-CG2 3.99Å; L598-I638 HydrophobicContact CG-CD1 4.08Å; I635-I638 WeakPolarHBondContact O-CA 3.14Å; I635-I638 WeakPolarHBondContact O-CB 3.36Å; I635-I638 PolarHBondContact O-N 3.36Å; I636-I638 PolarHBondContact O-N 3.47Å; I638-V640 VanDerWaalsContact C-N 3.28Å; I638-V640 PolarHBondContact O-N 3.26Å; I638-G641 WeakPolarHBondContact O-CA 3.4Å; I638-G641 PolarHBondContact O-N 3.23Å; I638-L642 HydrophobicContact CG2-CD1 3.98Å; I638-L642 HydrophobicContact CG2-CG 4.26Å; I638-L642 WeakPolarHBondContact O-CG 3.37Å; I638-L642 PolarHBondContact O-N 3.38Å |
| 639 | M | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 173.7 | -58.7 | -53.2 | -64.3 | 0 | 0 | 111.1 | L613 L616 I635 I636 G641 L642 F643 Y656 I659 I660 | L613-M639 HydrophobicContact CD2-CE 4.2Å; L616-M639 HydrophobicContact CD2-SD 3.95Å; I635-M639 HydrophobicContact CG2-CG 3.8Å; I635-M639 HydrophobicContact CG2-SD 4.18Å; I635-M639 PolarHBondContact O-N 3.37Å; I636-M639 PolarHBondContact O-N 3Å; M639-G641 VanDerWaalsContact C-N 3.26Å; M639-G641 PolarHBondContact O-N 3.22Å; M639-L642 PolarHBondContact O-N 3.32Å; M639-L642 VanDerWaalsContact O-N 3.15Å; M639-F643 PolarHBondContact O-N 2.91Å; M639-Y656 HydrophobicContact CB-CE2 4.06Å; M639-Y656 HydrophobicContact CE-CD2 3.44Å; M639-Y656 VanDerWaalsContact CE-CD2 3.44Å; M639-Y656 HydrophobicContact CE-CE2 3.59Å; M639-Y656 HydrophobicContact CE-CG 4.12Å; M639-Y656 VanDerWaalsContact O-CE2 3.27Å; M639-Y656 WeakPolarHBondContact O-CE2 3.34Å; M639-Y656 PolarHBondContact O-OH 2.66Å; M639-I659 HydrophobicContact CE-CB 4Å; M639-I659 HydrophobicContact CE-CD1 3.86Å; M639-I659 HydrophobicContact CE-CG2 3.74Å; M639-I659 HydrophobicContact SD-CG2 4.06Å; M639-I660 HydrophobicContact CB-CD1 4.07Å; M639-I660 HydrophobicContact CE-CD1 4.47Å; M639-I660 HydrophobicContact CG-CD1 4.2Å |
| 640 | V | 91.6 | Very high | 87 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.7 | -40.5 | 174.5 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | I636 I638 A680 L681 T684 | I636-V640 WeakPolarHBondContact O-CG2 3.39Å; I636-V640 PolarHBondContact O-N 3.44Å; I638-V640 VanDerWaalsContact C-N 3.28Å; I638-V640 PolarHBondContact O-N 3.26Å; V640-A680 HydrophobicContact CG2-CB 4.22Å; V640-A680 WeakPolarHBondContact CG2-O 3.32Å; V640-L681 HydrophobicContact CG2-CD2 3.69Å; V640-L681 HydrophobicContact CG2-CG 4.14Å; V640-T684 WeakPolarHBondContact CG1-OG1 3.48Å |
| 641 | G | 88.3 | Confident | 86.8 | Confident | 51 Ų | 51 | 51 Ų | 51 | 53% | 0.526 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.6 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P637 I638 M639 | P637-G641 PolarHBondContact O-N 3.03Å; I638-G641 WeakPolarHBondContact O-CA 3.4Å; I638-G641 PolarHBondContact O-N 3.23Å; M639-G641 VanDerWaalsContact C-N 3.26Å; M639-G641 PolarHBondContact O-N 3.22Å |
| 642 | L | 88.9 | Confident | 86.9 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81.4 | -16.6 | 179.8 | -68.9 | 176.8 | 0 | 0 | 0 | 113.6 | L601 L609 L613 I638 M639 K644 H645 C646 | L601-L642 HydrophobicContact CD1-CD1 4.4Å; L609-L642 HydrophobicContact CD1-CD2 4.15Å; L613-L642 HydrophobicContact CD2-CD1 4.25Å; I638-L642 HydrophobicContact CG2-CD1 3.98Å; I638-L642 HydrophobicContact CG2-CG 4.26Å; I638-L642 WeakPolarHBondContact O-CG 3.37Å; I638-L642 PolarHBondContact O-N 3.38Å; M639-L642 PolarHBondContact O-N 3.32Å; M639-L642 VanDerWaalsContact O-N 3.15Å; L642-K644 VanDerWaalsContact C-N 3.34Å; L642-K644 PolarHBondContact O-N 3.5Å; L642-H645 WeakPolarHBondContact O-CB 3.47Å; L642-H645 PolarHBondContact O-N 2.9Å; L642-C646 PolarHBondContact O-N 3.4Å; L642-C646 PolarHBondContact O-SG 2.86Å |
| 643 | F | 88.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -50.7 | -49.1 | -172.2 | -178.2 | -124.1 | 0 | 0 | 0 | 113.4 | M639 H645 C646 F647 Y656 T684 L685 Y688 A702 V706 | M639-F643 PolarHBondContact O-N 2.91Å; F643-H645 VanDerWaalsContact C-N 3.27Å; F643-H645 PolarHBondContact O-N 2.63Å; F643-C646 WeakPolarHBondContact O-CB 3.45Å; F643-C646 PolarHBondContact O-N 3.4Å; F643-C646 VanDerWaalsContact O-N 3.08Å; F643-F647 AromaticContact CD1-CE1 3.79Å; F643-F647 HydrophobicContact CD1-CE1 3.79Å; F643-F647 AromaticContact CD1-CZ 3.72Å; F643-F647 HydrophobicContact CD1-CZ 3.72Å; F643-F647 AromaticContact CD2-CE1 3.91Å; F643-F647 HydrophobicContact CD2-CE1 3.91Å; F643-F647 AromaticContact CE1-CE1 3.53Å; F643-F647 HydrophobicContact CE1-CE1 3.53Å; F643-F647 AromaticContact CE1-CZ 3.43Å; F643-F647 HydrophobicContact CE1-CZ 3.43Å; F643-F647 VanDerWaalsContact CE1-CZ 3.43Å; F643-F647 AromaticContact CE2-CE1 3.65Å; F643-F647 HydrophobicContact CE2-CE1 3.65Å; F643-F647 HydrophobicContact CE2-CZ 4.41Å; F643-F647 AromaticContact CG-CE1 3.98Å; F643-F647 HydrophobicContact CG-CE1 3.98Å; F643-F647 HydrophobicContact CG-CZ 4.33Å; F643-F647 AromaticContact CZ-CE1 3.45Å; F643-F647 HydrophobicContact CZ-CE1 3.45Å; F643-F647 VanDerWaalsContact CZ-CE1 3.45Å; F643-F647 AromaticContact CZ-CZ 3.82Å; F643-F647 HydrophobicContact CZ-CZ 3.82Å; F643-F647 VanDerWaalsContact O-CD1 3.31Å; F643-F647 WeakPolarHBondContact O-CD1 3.4Å; F643-F647 WeakPolarHBondContact O-CE1 3.28Å; F643-Y656 HydrophobicContact CB-CE2 4.14Å; F643-Y656 HydrophobicContact CD2-CD1 4.27Å; F643-Y656 AromaticContact CD2-CE1 3.64Å; F643-Y656 HydrophobicContact CD2-CE1 3.64Å; F643-Y656 HydrophobicContact CD2-CE2 4.2Å; F643-Y656 AromaticContact CD2-CZ 3.61Å; F643-Y656 HydrophobicContact CE2-CE1 4.18Å; F643-T684 HydrophobicContact CD1-CG2 4.2Å; F643-L685 HydrophobicContact CD1-CD2 4.1Å; F643-L685 HydrophobicContact CE1-CD2 3.44Å; F643-L685 VanDerWaalsContact CE1-CD2 3.44Å; F643-L685 HydrophobicContact CE2-CD2 4.07Å; F643-L685 HydrophobicContact CZ-CD2 3.43Å; F643-L685 VanDerWaalsContact CZ-CD2 3.43Å; F643-Y688 HydrophobicContact CD1-CE2 4.18Å; F643-Y688 HydrophobicContact CE1-CD2 4.18Å; F643-Y688 AromaticContact CE1-CE2 3.75Å; F643-Y688 HydrophobicContact CE1-CE2 3.75Å; F643-A702 HydrophobicContact CE2-CB 4.43Å; F643-A702 HydrophobicContact CZ-CB 4.3Å; F643-V706 HydrophobicContact CD2-CG2 4.35Å; F643-V706 HydrophobicContact CE2-CG2 3.62Å; F643-V706 HydrophobicContact CZ-CG2 4.36Å |
| 644 | K | 87.4 | Confident | 87 | Confident | 137 Ų | 137 | 49.7 Ų | 49.7 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -62.8 | -30.8 | 179.6 | -67.7 | -164.4 | -177.8 | -151.6 | 0 | 113.9 | L642 C646 F647 Y688 | L642-K644 VanDerWaalsContact C-N 3.34Å; L642-K644 PolarHBondContact O-N 3.5Å; K644-C646 PolarHBondContact O-N 3.43Å; K644-F647 HydrophobicContact CB-CE2 4.42Å; K644-F647 HydrophobicContact CG-CE2 4.29Å; K644-F647 HydrophobicContact CG-CZ 4.39Å; K644-Y688 WeakPolarHBondContact CE-OH 3.45Å; K644-Y688 WeakPolarHBondContact CG-OH 3.33Å |
| 645 | H | 86.4 | Confident | 87 | Confident | 93 Ų | 93 | 46.3 Ų | 46.3 | 43% | 0.431 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -76.7 | -11.7 | 179.5 | -63.4 | -75.1 | 0 | 0 | 0 | 112.3 | E606 L609 L642 F643 | E606-H645 IonicContact OE1-CE1 2.81Å; E606-H645 IonicContact OE1-CG 2.7Å; E606-H645 IonicContact OE1-ND1 3.22Å; E606-H645 PolarHBondContact OE1-ND1 3.2Å; L609-H645 HydrophobicContact CD2-CB 3.76Å; L609-H645 VanDerWaalsContact CD2-O 3.3Å; L609-H645 WeakPolarHBondContact CD2-O 3.07Å; L642-H645 WeakPolarHBondContact O-CB 3.47Å; L642-H645 PolarHBondContact O-N 2.9Å; F643-H645 VanDerWaalsContact C-N 3.27Å; F643-H645 PolarHBondContact O-N 2.63Å |
| 646 | C | 85.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -92.6 | 2.7 | -179.4 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | L642 F643 K644 T652 L653 Y656 | L642-C646 PolarHBondContact O-N 3.4Å; L642-C646 PolarHBondContact O-SG 2.86Å; F643-C646 WeakPolarHBondContact O-CB 3.45Å; F643-C646 PolarHBondContact O-N 3.4Å; F643-C646 VanDerWaalsContact O-N 3.08Å; K644-C646 PolarHBondContact O-N 3.43Å; C646-T652 WeakPolarHBondContact CA-OG1 3.47Å; C646-T652 PolarHBondContact O-OG1 3.22Å; C646-L653 WeakPolarHBondContact O-CB 3.06Å; C646-Y656 HydrophobicContact CB-CD2 4.47Å |
| 647 | F | 81.5 | Confident | 87.1 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -77.9 | -34.3 | -174.6 | -62.6 | -11.5 | 0 | 0 | 0 | 113.3 | F643 K644 Y688 D699 A702 | F643-F647 AromaticContact CD1-CE1 3.79Å; F643-F647 HydrophobicContact CD1-CE1 3.79Å; F643-F647 AromaticContact CD1-CZ 3.72Å; F643-F647 HydrophobicContact CD1-CZ 3.72Å; F643-F647 AromaticContact CD2-CE1 3.91Å; F643-F647 HydrophobicContact CD2-CE1 3.91Å; F643-F647 AromaticContact CE1-CE1 3.53Å; F643-F647 HydrophobicContact CE1-CE1 3.53Å; F643-F647 AromaticContact CE1-CZ 3.43Å; F643-F647 HydrophobicContact CE1-CZ 3.43Å; F643-F647 VanDerWaalsContact CE1-CZ 3.43Å; F643-F647 AromaticContact CE2-CE1 3.65Å; F643-F647 HydrophobicContact CE2-CE1 3.65Å; F643-F647 HydrophobicContact CE2-CZ 4.41Å; F643-F647 AromaticContact CG-CE1 3.98Å; F643-F647 HydrophobicContact CG-CE1 3.98Å; F643-F647 HydrophobicContact CG-CZ 4.33Å; F643-F647 AromaticContact CZ-CE1 3.45Å; F643-F647 HydrophobicContact CZ-CE1 3.45Å; F643-F647 VanDerWaalsContact CZ-CE1 3.45Å; F643-F647 AromaticContact CZ-CZ 3.82Å; F643-F647 HydrophobicContact CZ-CZ 3.82Å; F643-F647 VanDerWaalsContact O-CD1 3.31Å; F643-F647 WeakPolarHBondContact O-CD1 3.4Å; F643-F647 WeakPolarHBondContact O-CE1 3.28Å; K644-F647 HydrophobicContact CB-CE2 4.42Å; K644-F647 HydrophobicContact CG-CE2 4.29Å; K644-F647 HydrophobicContact CG-CZ 4.39Å; F647-Y688 HydrophobicContact CE2-CE1 4.29Å; F647-Y688 HydrophobicContact CZ-CE2 4.33Å; F647-Y688 AromaticContact CZ-CZ 3.95Å; F647-D699 HydrophobicContact CD2-CB 4.45Å; F647-D699 WeakPolarHBondContact CD2-OD1 3.22Å; F647-D699 HydrophobicContact CE2-CB 4.07Å; F647-D699 VanDerWaalsContact CE2-OD1 3.32Å; F647-D699 WeakPolarHBondContact CE2-OD1 3.38Å; F647-A702 HydrophobicContact CD1-CB 3.68Å; F647-A702 HydrophobicContact CE1-CB 3.76Å |
| 648 | G | 70.1 | Confident | 87.1 | Confident | 77 Ų | 77 | 45.2 Ų | 45.2 | 79% | 0.794 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -81.4 | -15.7 | -170 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 649 | V | 78.9 | Confident | 87.2 | Confident | 77 Ų | 77 | 42.3 Ų | 42.3 | 47% | 0.467 | 26% | 0.261 | S | S | . | . | trans | -132.3 | 118.8 | -174.8 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | T651 T652 L653 | V649-T651 VanDerWaalsContact C-N 3.26Å; V649-T651 WeakPolarHBondContact CG1-OG1 3.39Å; V649-T651 PolarHBondContact O-N 3.37Å; V649-T652 HydrophobicContact CB-CG2 3.96Å; V649-T652 HydrophobicContact CG1-CG2 4.28Å; V649-T652 PolarHBondContact O-N 3.04Å; V649-T652 PolarHBondContact O-OG1 3.12Å; V649-L653 PolarHBondContact O-N 3.17Å | ||
| 650 | A | 81.9 | Confident | 87.2 | Confident | 86 Ų | 86 | 42.3 Ų | 42.3 | 71% | 0.711 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -56.3 | -36.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S654 | A650-S654 WeakPolarHBondContact O-CB 3.09Å; A650-S654 PolarHBondContact O-N 3.19Å |
| 651 | T | 84.6 | Confident | 87.1 | Confident | 68 Ų | 68 | 44.4 Ų | 44.4 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | D610 V649 L653 S654 Y655 | D610-T651 WeakPolarHBondContact OD1-CB 3.46Å; D610-T651 PolarHBondContact OD1-OG1 3.03Å; V649-T651 VanDerWaalsContact C-N 3.26Å; V649-T651 WeakPolarHBondContact CG1-OG1 3.39Å; V649-T651 PolarHBondContact O-N 3.37Å; T651-L653 PolarHBondContact O-N 3.35Å; T651-S654 WeakPolarHBondContact O-CB 3.42Å; T651-S654 PolarHBondContact O-N 3.14Å; T651-Y655 VanDerWaalsContact O-CD2 3.26Å; T651-Y655 WeakPolarHBondContact O-CD2 3.46Å; T651-Y655 PolarHBondContact O-N 3.35Å |
| 652 | T | 90.2 | Very high | 87.1 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.9 | 66.2 | 0 | 0 | 0 | 0 | 112 | L609 D610 C646 V649 S654 Y655 Y656 | L609-T652 HydrophobicContact CD2-CG2 4.26Å; L609-T652 HydrophobicContact CG-CG2 4.2Å; D610-T652 HydrophobicContact CB-CG2 4.01Å; D610-T652 PolarHBondContact OD1-N 3.26Å; C646-T652 WeakPolarHBondContact CA-OG1 3.47Å; C646-T652 PolarHBondContact O-OG1 3.22Å; V649-T652 HydrophobicContact CB-CG2 3.96Å; V649-T652 HydrophobicContact CG1-CG2 4.28Å; V649-T652 PolarHBondContact O-N 3.04Å; V649-T652 PolarHBondContact O-OG1 3.12Å; T652-S654 VanDerWaalsContact C-N 3.34Å; T652-Y655 PolarHBondContact O-N 2.89Å; T652-Y656 VanDerWaalsContact O-CB 3.27Å; T652-Y656 WeakPolarHBondContact O-CB 3.31Å; T652-Y656 PolarHBondContact O-N 3.39Å |
| 653 | L | 89.5 | Confident | 87.2 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 174.7 | -171.9 | 59.4 | 0 | 0 | 0 | 111.8 | C646 V649 T651 Y656 T657 A702 K705 | C646-L653 WeakPolarHBondContact O-CB 3.06Å; V649-L653 PolarHBondContact O-N 3.17Å; T651-L653 PolarHBondContact O-N 3.35Å; L653-Y656 PolarHBondContact O-N 3.49Å; L653-T657 HydrophobicContact CD1-CG2 4.39Å; L653-T657 WeakPolarHBondContact O-CG2 3.3Å; L653-T657 PolarHBondContact O-N 2.85Å; L653-T657 PolarHBondContact O-OG1 3.44Å; L653-A702 HydrophobicContact CD1-CB 3.94Å; L653-A702 HydrophobicContact CD2-CB 3.88Å; L653-K705 HydrophobicContact CD2-CD 4.13Å |
| 654 | S | 89.1 | Confident | 87.2 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61 | -51.1 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | A650 T651 T652 Y656 T657 K658 | A650-S654 WeakPolarHBondContact O-CB 3.09Å; A650-S654 PolarHBondContact O-N 3.19Å; T651-S654 WeakPolarHBondContact O-CB 3.42Å; T651-S654 PolarHBondContact O-N 3.14Å; T652-S654 VanDerWaalsContact C-N 3.34Å; S654-Y656 PolarHBondContact O-N 3.5Å; S654-T657 PolarHBondContact O-N 3.42Å; S654-T657 PolarHBondContact O-OG1 3.44Å; S654-K658 WeakPolarHBondContact O-CB 3.35Å; S654-K658 VanDerWaalsContact O-CG 3.29Å; S654-K658 WeakPolarHBondContact O-CG 3.16Å; S654-K658 PolarHBondContact O-N 3.03Å |
| 655 | Y | 90 | Very high | 87.1 | Confident | 55 Ų | 55 | 40.4 Ų | 40.4 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.5 | -73.6 | -60.8 | 0 | 0 | 0 | 112.3 | C614 Y617 T651 T652 T657 K658 I659 | C614-Y655 HydrophobicContact CB-CD1 4.22Å; C614-Y655 HydrophobicContact CB-CD2 4.22Å; C614-Y655 HydrophobicContact CB-CE1 3.87Å; C614-Y655 HydrophobicContact CB-CE2 3.86Å; C614-Y655 HydrophobicContact CB-CG 4.4Å; Y617-Y655 HydrophobicContact CD1-CD1 4.35Å; T651-Y655 VanDerWaalsContact O-CD2 3.26Å; T651-Y655 WeakPolarHBondContact O-CD2 3.46Å; T651-Y655 PolarHBondContact O-N 3.35Å; T652-Y655 PolarHBondContact O-N 2.89Å; Y655-T657 PolarHBondContact O-N 2.91Å; Y655-K658 PolarHBondContact O-N 3.07Å; Y655-I659 VanDerWaalsContact O-CG1 3.24Å; Y655-I659 WeakPolarHBondContact O-CG1 3.26Å; Y655-I659 PolarHBondContact O-N 3.48Å |
| 656 | Y | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.4 | -52.6 | 175 | -175.6 | -82.9 | 0 | 0 | 0 | 111.3 | M639 F643 C646 T652 L653 S654 K658 I659 I660 L681 V706 | M639-Y656 HydrophobicContact CB-CE2 4.06Å; M639-Y656 HydrophobicContact CE-CD2 3.44Å; M639-Y656 VanDerWaalsContact CE-CD2 3.44Å; M639-Y656 HydrophobicContact CE-CE2 3.59Å; M639-Y656 HydrophobicContact CE-CG 4.12Å; M639-Y656 VanDerWaalsContact O-CE2 3.27Å; M639-Y656 WeakPolarHBondContact O-CE2 3.34Å; M639-Y656 PolarHBondContact O-OH 2.66Å; F643-Y656 HydrophobicContact CB-CE2 4.14Å; F643-Y656 HydrophobicContact CD2-CD1 4.27Å; F643-Y656 AromaticContact CD2-CE1 3.64Å; F643-Y656 HydrophobicContact CD2-CE1 3.64Å; F643-Y656 HydrophobicContact CD2-CE2 4.2Å; F643-Y656 AromaticContact CD2-CZ 3.61Å; F643-Y656 HydrophobicContact CE2-CE1 4.18Å; C646-Y656 HydrophobicContact CB-CD2 4.47Å; T652-Y656 VanDerWaalsContact O-CB 3.27Å; T652-Y656 WeakPolarHBondContact O-CB 3.31Å; T652-Y656 PolarHBondContact O-N 3.39Å; L653-Y656 PolarHBondContact O-N 3.49Å; S654-Y656 PolarHBondContact O-N 3.5Å; Y656-K658 PolarHBondContact O-N 3.1Å; Y656-I659 PolarHBondContact O-N 2.9Å; Y656-I660 HydrophobicContact CD1-CG1 4.07Å; Y656-I660 HydrophobicContact CE1-CD1 4.32Å; Y656-I660 HydrophobicContact CE1-CG1 3.68Å; Y656-I660 WeakPolarHBondContact O-CG1 3.47Å; Y656-I660 PolarHBondContact O-N 3.1Å; Y656-L681 WeakPolarHBondContact OH-CD2 3.45Å; Y656-V706 HydrophobicContact CD1-CG2 3.98Å; Y656-V706 HydrophobicContact CE1-CG1 4.46Å; Y656-V706 HydrophobicContact CE1-CG2 3.67Å |
| 657 | T | 90.7 | Very high | 87.1 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -36.9 | 179.4 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | L653 S654 Y655 I660 R661 K705 V706 | L653-T657 HydrophobicContact CD1-CG2 4.39Å; L653-T657 WeakPolarHBondContact O-CG2 3.3Å; L653-T657 PolarHBondContact O-N 2.85Å; L653-T657 PolarHBondContact O-OG1 3.44Å; S654-T657 PolarHBondContact O-N 3.42Å; S654-T657 PolarHBondContact O-OG1 3.44Å; Y655-T657 PolarHBondContact O-N 2.91Å; T657-I660 PolarHBondContact O-N 3.38Å; T657-R661 WeakPolarHBondContact O-CB 3.41Å; T657-R661 PolarHBondContact O-N 3.5Å; T657-K705 HydrophobicContact CG2-CB 4.39Å; T657-V706 HydrophobicContact CG2-CG2 4.18Å |
| 658 | K | 90 | Very high | 87 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 19% | 0.191 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 171.8 | -75.6 | 179.5 | 175.3 | -168.7 | 0 | 111.8 | Y617 S654 Y655 Y656 R661 V662 D1071 | Y617-K658 HydrophobicContact CD2-CB 3.89Å; Y617-K658 HydrophobicContact CE2-CB 3.74Å; S654-K658 WeakPolarHBondContact O-CB 3.35Å; S654-K658 VanDerWaalsContact O-CG 3.29Å; S654-K658 WeakPolarHBondContact O-CG 3.16Å; S654-K658 PolarHBondContact O-N 3.03Å; Y655-K658 PolarHBondContact O-N 3.07Å; Y656-K658 PolarHBondContact O-N 3.1Å; K658-R661 PolarHBondContact O-N 2.6Å; K658-V662 WeakPolarHBondContact O-CG2 3.37Å; K658-V662 PolarHBondContact O-N 3.45Å; K658-D1071 IonicContact NZ-OD1 2.64Å; K658-D1071 PolarHBondContact NZ-OD1 3.08Å; K658-D1071 IonicContact NZ-OD2 3.86Å |
| 659 | I | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -50.2 | 175.5 | -68.7 | 161.2 | 0 | 0 | 0 | 110.7 | L613 L616 Y617 L620 M639 Y655 Y656 R661 V662 L663 | L613-I659 HydrophobicContact CB-CD1 4.29Å; L613-I659 HydrophobicContact CD2-CD1 3.85Å; L616-I659 HydrophobicContact CB-CD1 4.32Å; L616-I659 HydrophobicContact CD2-CD1 4.13Å; L616-I659 HydrophobicContact CG-CD1 4.27Å; Y617-I659 HydrophobicContact CD2-CG1 4.22Å; Y617-I659 HydrophobicContact CG-CG1 4.43Å; L620-I659 HydrophobicContact CD1-CG2 3.81Å; M639-I659 HydrophobicContact CE-CB 4Å; M639-I659 HydrophobicContact CE-CD1 3.86Å; M639-I659 HydrophobicContact CE-CG2 3.74Å; M639-I659 HydrophobicContact SD-CG2 4.06Å; Y655-I659 VanDerWaalsContact O-CG1 3.24Å; Y655-I659 WeakPolarHBondContact O-CG1 3.26Å; Y655-I659 PolarHBondContact O-N 3.48Å; Y656-I659 PolarHBondContact O-N 2.9Å; I659-R661 VanDerWaalsContact C-N 3.27Å; I659-R661 PolarHBondContact O-N 3.43Å; I659-V662 PolarHBondContact O-N 2.98Å; I659-V662 VanDerWaalsContact O-N 3.17Å; I659-L663 HydrophobicContact CG2-CD1 3.66Å; I659-L663 HydrophobicContact CG2-CG 4.26Å; I659-L663 VanDerWaalsContact O-CG 3.31Å; I659-L663 WeakPolarHBondContact O-CG 3.28Å; I659-L663 PolarHBondContact O-N 3.45Å |
| 660 | I | 92.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 178.6 | -62.2 | -53 | 0 | 0 | 0 | 110.7 | M639 Y656 T657 V662 L663 Y664 L681 V709 L710 | M639-I660 HydrophobicContact CB-CD1 4.07Å; M639-I660 HydrophobicContact CE-CD1 4.47Å; M639-I660 HydrophobicContact CG-CD1 4.2Å; Y656-I660 HydrophobicContact CD1-CG1 4.07Å; Y656-I660 HydrophobicContact CE1-CD1 4.32Å; Y656-I660 HydrophobicContact CE1-CG1 3.68Å; Y656-I660 WeakPolarHBondContact O-CG1 3.47Å; Y656-I660 PolarHBondContact O-N 3.1Å; T657-I660 PolarHBondContact O-N 3.38Å; I660-V662 PolarHBondContact O-N 3.49Å; I660-L663 PolarHBondContact O-N 3.33Å; I660-Y664 WeakPolarHBondContact O-CB 3.42Å; I660-Y664 PolarHBondContact O-N 3.38Å; I660-L681 HydrophobicContact CD1-CD1 4.17Å; I660-L681 HydrophobicContact CG2-CD1 4.37Å; I660-V709 HydrophobicContact CB-CG1 4.31Å; I660-V709 HydrophobicContact CG2-CG1 3.88Å; I660-L710 HydrophobicContact CG2-CD2 4Å |
| 661 | R | 90.2 | Very high | 87.8 | Confident | 76 Ų | 76 | 36.5 Ų | 36.5 | 29% | 0.287 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.8 | -174.4 | 177.3 | -84.4 | 111.1 | -8.2 | 111.9 | T657 K658 I659 K665 V709 L1074 | T657-R661 WeakPolarHBondContact O-CB 3.41Å; T657-R661 PolarHBondContact O-N 3.5Å; K658-R661 PolarHBondContact O-N 2.6Å; I659-R661 VanDerWaalsContact C-N 3.27Å; I659-R661 PolarHBondContact O-N 3.43Å; R661-K665 VanDerWaalsContact O-CB 3.25Å; R661-K665 WeakPolarHBondContact O-CB 3.42Å; R661-K665 PolarHBondContact O-N 2.86Å; R661-V709 VanDerWaalsContact CA-CG1 3.41Å; R661-V709 HydrophobicContact CB-CG1 3.62Å; R661-V709 HydrophobicContact CG-CG1 4.29Å; R661-L1074 HydrophobicContact CG-CD2 4.42Å |
| 662 | V | 88.6 | Confident | 87.9 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -49.3 | 175.3 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | Y617 L620 L624 K658 I659 I660 Y664 K665 V666 L1074 | Y617-V662 HydrophobicContact CD2-CG2 4.19Å; Y617-V662 HydrophobicContact CE2-CG2 3.65Å; L620-V662 HydrophobicContact CB-CG1 4.35Å; L624-V662 HydrophobicContact CD2-CG1 3.63Å; K658-V662 WeakPolarHBondContact O-CG2 3.37Å; K658-V662 PolarHBondContact O-N 3.45Å; I659-V662 PolarHBondContact O-N 2.98Å; I659-V662 VanDerWaalsContact O-N 3.17Å; I660-V662 PolarHBondContact O-N 3.49Å; V662-Y664 VanDerWaalsContact C-N 3.33Å; V662-Y664 PolarHBondContact O-N 2.85Å; V662-K665 PolarHBondContact O-N 2.87Å; V662-V666 WeakPolarHBondContact O-CG2 3.28Å; V662-V666 PolarHBondContact O-N 3Å; V662-L1074 HydrophobicContact CG2-CD1 4.45Å |
| 663 | L | 90.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | -178.5 | -63.9 | 171.5 | 0 | 0 | 0 | 111.5 | L620 T628 I632 I635 I636 I659 I660 A667 I677 | L620-L663 HydrophobicContact CD1-CD2 4.14Å; L620-L663 HydrophobicContact CD1-CG 4.46Å; L620-L663 HydrophobicContact CD2-CD2 4.31Å; T628-L663 HydrophobicContact CG2-CD2 3.96Å; I632-L663 HydrophobicContact CG1-CD2 4.24Å; I635-L663 HydrophobicContact CG2-CD1 3.97Å; I636-L663 HydrophobicContact CD1-CB 4.29Å; I636-L663 HydrophobicContact CD1-CD1 3.37Å; I636-L663 HydrophobicContact CD1-CG 4.29Å; I659-L663 HydrophobicContact CG2-CD1 3.66Å; I659-L663 HydrophobicContact CG2-CG 4.26Å; I659-L663 VanDerWaalsContact O-CG 3.31Å; I659-L663 WeakPolarHBondContact O-CG 3.28Å; I659-L663 PolarHBondContact O-N 3.45Å; I660-L663 PolarHBondContact O-N 3.33Å; L663-A667 VanDerWaalsContact O-CB 3.3Å; L663-A667 WeakPolarHBondContact O-CB 3.46Å; L663-A667 PolarHBondContact O-N 3.23Å; L663-I677 HydrophobicContact CB-CD1 4.42Å |
| 664 | Y | 88.2 | Confident | 87.6 | Confident | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -43.4 | 176.8 | -157.3 | -92.4 | 0 | 0 | 0 | 111.9 | I660 V662 V666 A667 S668 I674 I677 E678 L710 | I660-Y664 WeakPolarHBondContact O-CB 3.42Å; I660-Y664 PolarHBondContact O-N 3.38Å; V662-Y664 VanDerWaalsContact C-N 3.33Å; V662-Y664 PolarHBondContact O-N 2.85Å; Y664-V666 PolarHBondContact O-N 2.92Å; Y664-A667 PolarHBondContact O-N 3.02Å; Y664-S668 PolarHBondContact O-N 3.25Å; Y664-I674 HydrophobicContact CE2-CG2 3.86Å; Y664-I677 HydrophobicContact CD2-CG2 4.4Å; Y664-E678 HydrophobicContact CE2-CG 4.41Å; Y664-E678 PolarHBondContact OH-OE1 3.02Å; Y664-E678 VanDerWaalsContact OH-OE1 3.13Å; Y664-L710 HydrophobicContact CD2-CD2 3.7Å; Y664-L710 HydrophobicContact CE2-CD2 3.94Å; Y664-L710 PolarHBondContact OH-O 3.42Å; Y664-L710 VanDerWaalsContact OH-O 3.05Å |
| 665 | K | 85.3 | Confident | 87.5 | Confident | 115 Ų | 115 | 37.8 Ų | 37.8 | 50% | 0.5 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.9 | -41.4 | 175.7 | -174.4 | 174.9 | -176.4 | 173.2 | 0 | 112 | R661 V662 S668 L1074 | R661-K665 VanDerWaalsContact O-CB 3.25Å; R661-K665 WeakPolarHBondContact O-CB 3.42Å; R661-K665 PolarHBondContact O-N 2.86Å; V662-K665 PolarHBondContact O-N 2.87Å; K665-S668 VanDerWaalsContact O-CB 3.25Å; K665-S668 WeakPolarHBondContact O-CB 3.48Å; K665-S668 PolarHBondContact O-N 3.5Å; K665-S668 PolarHBondContact O-OG 3.02Å; K665-L1074 HydrophobicContact CD-CD2 4.24Å |
| 666 | V | 86.2 | Confident | 87.5 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 9% | 0.085 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -36.9 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | L624 T628 Q629 I632 V662 Y664 S668 | L624-V666 HydrophobicContact CB-CG2 3.96Å; L624-V666 HydrophobicContact CD2-CG2 3.82Å; L624-V666 HydrophobicContact CG-CG2 4.48Å; L624-V666 WeakPolarHBondContact O-CG1 3.45Å; L624-V666 WeakPolarHBondContact O-CG2 3.1Å; T628-V666 HydrophobicContact CG2-CB 4.49Å; T628-V666 HydrophobicContact CG2-CG1 4.39Å; T628-V666 HydrophobicContact CG2-CG2 4.09Å; Q629-V666 HydrophobicContact CB-CG1 3.65Å; Q629-V666 HydrophobicContact CG-CG1 4.16Å; I632-V666 HydrophobicContact CD1-CG1 4.2Å; V662-V666 WeakPolarHBondContact O-CG2 3.28Å; V662-V666 PolarHBondContact O-N 3Å; Y664-V666 PolarHBondContact O-N 2.92Å; V666-S668 PolarHBondContact O-N 3Å |
| 667 | A | 86.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -15.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I632 L663 Y664 S669 N670 I674 I677 | I632-A667 HydrophobicContact CD1-CB 4.13Å; L663-A667 VanDerWaalsContact O-CB 3.3Å; L663-A667 WeakPolarHBondContact O-CB 3.46Å; L663-A667 PolarHBondContact O-N 3.23Å; Y664-A667 PolarHBondContact O-N 3.02Å; A667-S669 PolarHBondContact O-N 3.24Å; A667-N670 CarbonylContact O-C 3.59Å; A667-N670 PolarHBondContact O-N 3.43Å; A667-N670 VanDerWaalsContact O-O 3.07Å; A667-I674 HydrophobicContact CB-CG1 3.82Å; A667-I674 WeakPolarHBondContact O-CG1 3.35Å; A667-I677 HydrophobicContact CB-CD1 3.69Å |
| 668 | S | 79.5 | Confident | 87.4 | Confident | 41 Ų | 41 | 36.3 Ų | 36.3 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.3 | -172.1 | 65.6 | 0 | 0 | 0 | 0 | 115.1 | Y664 K665 V666 F716 | Y664-S668 PolarHBondContact O-N 3.25Å; K665-S668 VanDerWaalsContact O-CB 3.25Å; K665-S668 WeakPolarHBondContact O-CB 3.48Å; K665-S668 PolarHBondContact O-N 3.5Å; K665-S668 PolarHBondContact O-OG 3.02Å; V666-S668 PolarHBondContact O-N 3Å; S668-F716 WeakPolarHBondContact O-CE2 3.48Å |
| 669 | S | 78.1 | Confident | 87.4 | Confident | 73 Ų | 73 | 39.3 Ų | 39.3 | 51% | 0.51 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.3 | 176.8 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | A667 | A667-S669 PolarHBondContact O-N 3.24Š|
| 670 | N | 83.8 | Confident | 87.4 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | trans | -131.5 | 101.1 | -178.5 | -178.1 | 12.6 | 0 | 0 | 0 | 111.8 | A667 A672 S673 I674 | A667-N670 CarbonylContact O-C 3.59Å; A667-N670 PolarHBondContact O-N 3.43Å; A667-N670 VanDerWaalsContact O-O 3.07Å; N670-A672 PolarHBondContact O-N 3.23Å; N670-A672 VanDerWaalsContact O-N 3.09Å; N670-A672 PolarHBondContact OD1-N 3.14Å; N670-S673 PolarHBondContact ND2-OG 3Å; N670-S673 WeakPolarHBondContact O-CB 3.21Å; N670-S673 PolarHBondContact O-N 2.77Å; N670-I674 PolarHBondContact O-N 3.3Å | ||
| 671 | K | 84.9 | Confident | 87.4 | Confident | 115 Ų | 115 | 41 Ų | 41 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -50 | -39.2 | 178.9 | -167.8 | -179.1 | -174.5 | -163.2 | 0 | 114.1 | S673 I674 E675 F716 | K671-S673 VanDerWaalsContact C-N 3.31Å; K671-S673 PolarHBondContact O-N 2.7Å; K671-I674 PolarHBondContact O-N 2.94Å; K671-E675 WeakPolarHBondContact CE-OE1 3.32Å; K671-E675 HydrophobicContact CG-CG 4.48Å; K671-E675 IonicContact NZ-OE1 3.81Å; K671-E675 WeakPolarHBondContact O-CG 3.48Å; K671-E675 PolarHBondContact O-N 2.81Å; K671-F716 HydrophobicContact CB-CD1 4.32Å; K671-F716 HydrophobicContact CB-CD2 4.15Å; K671-F716 HydrophobicContact CB-CE1 4.22Å; K671-F716 HydrophobicContact CB-CE2 4.03Å; K671-F716 HydrophobicContact CB-CG 4.29Å; K671-F716 HydrophobicContact CB-CZ 4.08Å; K671-F716 HydrophobicContact CG-CG 4.41Å |
| 672 | A | 86.8 | Confident | 87.4 | Confident | 61 Ų | 61 | 37.8 Ų | 37.8 | 50% | 0.504 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -32.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N670 A676 | N670-A672 PolarHBondContact O-N 3.23Å; N670-A672 VanDerWaalsContact O-N 3.09Å; N670-A672 PolarHBondContact OD1-N 3.14Å; A672-A676 WeakPolarHBondContact O-CB 3.5Å; A672-A676 PolarHBondContact O-N 3.22Å |
| 673 | S | 86.6 | Confident | 87.6 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.1 | -40.4 | 175.9 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | N670 K671 A676 I677 | N670-S673 PolarHBondContact ND2-OG 3Å; N670-S673 WeakPolarHBondContact O-CB 3.21Å; N670-S673 PolarHBondContact O-N 2.77Å; K671-S673 VanDerWaalsContact C-N 3.31Å; K671-S673 PolarHBondContact O-N 2.7Å; S673-A676 PolarHBondContact O-N 2.9Å; S673-I677 WeakPolarHBondContact O-CG1 3.25Å; S673-I677 PolarHBondContact O-N 3.47Å |
| 674 | I | 86.6 | Confident | 87.5 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.051 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.2 | -51.2 | 174.8 | -61.2 | 175.7 | 0 | 0 | 0 | 110.1 | Y664 A667 N670 K671 A676 I677 E678 F716 | Y664-I674 HydrophobicContact CE2-CG2 3.86Å; A667-I674 HydrophobicContact CB-CG1 3.82Å; A667-I674 WeakPolarHBondContact O-CG1 3.35Å; N670-I674 PolarHBondContact O-N 3.3Å; K671-I674 PolarHBondContact O-N 2.94Å; I674-A676 PolarHBondContact O-N 3.25Å; I674-I677 PolarHBondContact O-N 2.91Å; I674-I677 VanDerWaalsContact O-N 3.12Å; I674-E678 HydrophobicContact CG2-CG 4.33Å; I674-E678 WeakPolarHBondContact CG2-OE1 3.29Å; I674-E678 WeakPolarHBondContact O-CG 3.25Å; I674-E678 PolarHBondContact O-N 2.94Å; I674-F716 HydrophobicContact CD1-CD2 3.76Å; I674-F716 HydrophobicContact CD1-CE2 4.24Å |
| 675 | E | 88 | Confident | 87.7 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.6 | -35.6 | 177.9 | -72.6 | 176.4 | -176.8 | 0 | 0 | 111.6 | K671 N679 | K671-E675 WeakPolarHBondContact CE-OE1 3.32Å; K671-E675 HydrophobicContact CG-CG 4.48Å; K671-E675 IonicContact NZ-OE1 3.81Å; K671-E675 WeakPolarHBondContact O-CG 3.48Å; K671-E675 PolarHBondContact O-N 2.81Å; E675-N679 WeakPolarHBondContact O-CB 3.24Å; E675-N679 PolarHBondContact O-N 2.67Å; E675-N679 PolarHBondContact O-ND2 3.18Å |
| 676 | A | 88.4 | Confident | 88 | Confident | 36 Ų | 36 | 37.6 Ų | 37.6 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | T633 A672 S673 I674 A680 | T633-A676 HydrophobicContact CG2-CB 4.37Å; A672-A676 WeakPolarHBondContact O-CB 3.5Å; A672-A676 PolarHBondContact O-N 3.22Å; S673-A676 PolarHBondContact O-N 2.9Å; I674-A676 PolarHBondContact O-N 3.25Å; A676-A680 WeakPolarHBondContact O-CB 3.47Å; A676-A680 PolarHBondContact O-N 2.98Å |
| 677 | I | 90.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -50.5 | 176 | -66.2 | 164.3 | 0 | 0 | 0 | 109.7 | I632 I636 L663 Y664 A667 S673 I674 A680 L681 L710 | I632-I677 HydrophobicContact CG2-CD1 3.85Å; I632-I677 HydrophobicContact CG2-CG1 3.67Å; I636-I677 HydrophobicContact CD1-CG1 4.12Å; I636-I677 HydrophobicContact CG1-CB 4.26Å; I636-I677 HydrophobicContact CG1-CG1 3.68Å; I636-I677 HydrophobicContact CG1-CG2 4.37Å; L663-I677 HydrophobicContact CB-CD1 4.42Å; Y664-I677 HydrophobicContact CD2-CG2 4.4Å; A667-I677 HydrophobicContact CB-CD1 3.69Å; S673-I677 WeakPolarHBondContact O-CG1 3.25Å; S673-I677 PolarHBondContact O-N 3.47Å; I674-I677 PolarHBondContact O-N 2.91Å; I674-I677 VanDerWaalsContact O-N 3.12Å; I677-A680 PolarHBondContact O-N 3.14Å; I677-L681 HydrophobicContact CG2-CD1 3.71Å; I677-L681 PolarHBondContact O-N 3.09Å; I677-L681 VanDerWaalsContact O-N 3.07Å; I677-L710 HydrophobicContact CG2-CD2 3.99Å |
| 678 | E | 91.3 | Very high | 88.3 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -48.3 | -178.1 | -70.7 | 180 | -175.7 | 0 | 0 | 111.9 | Y664 I674 A680 L681 L682 S719 L722 | Y664-E678 HydrophobicContact CE2-CG 4.41Å; Y664-E678 PolarHBondContact OH-OE1 3.02Å; Y664-E678 VanDerWaalsContact OH-OE1 3.13Å; I674-E678 HydrophobicContact CG2-CG 4.33Å; I674-E678 WeakPolarHBondContact CG2-OE1 3.29Å; I674-E678 WeakPolarHBondContact O-CG 3.25Å; I674-E678 PolarHBondContact O-N 2.94Å; E678-A680 PolarHBondContact O-N 2.98Å; E678-A680 VanDerWaalsContact O-N 3.12Å; E678-L681 PolarHBondContact O-N 3.45Å; E678-L682 HydrophobicContact CB-CD1 3.94Å; E678-L682 HydrophobicContact CB-CG 4.38Å; E678-L682 WeakPolarHBondContact O-CB 3.37Å; E678-L682 WeakPolarHBondContact O-CD1 3.25Å; E678-L682 WeakPolarHBondContact O-CG 3.42Å; E678-L682 PolarHBondContact O-N 3.33Å; E678-S719 WeakPolarHBondContact OE2-CB 3.21Å; E678-S719 PolarHBondContact OE2-OG 2.96Å; E678-L722 WeakPolarHBondContact OE1-CD1 3.44Å |
| 679 | N | 90.5 | Very high | 88.7 | Confident | 107 Ų | 107 | 38.8 Ų | 38.8 | 57% | 0.572 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.2 | -25.4 | -179.6 | -75.4 | -39.5 | 0 | 0 | 0 | 113.2 | E675 P683 | E675-N679 WeakPolarHBondContact O-CB 3.24Å; E675-N679 PolarHBondContact O-N 2.67Å; E675-N679 PolarHBondContact O-ND2 3.18Å; N679-P683 VanDerWaalsContact O-CD 3.32Å; N679-P683 WeakPolarHBondContact O-CD 3.44Å |
| 680 | A | 91.8 | Very high | 89.1 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -85.2 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | I636 V640 A676 I677 E678 | I636-A680 HydrophobicContact CG2-CB 3.17Å; V640-A680 HydrophobicContact CG2-CB 4.22Å; V640-A680 WeakPolarHBondContact CG2-O 3.32Å; A676-A680 WeakPolarHBondContact O-CB 3.47Å; A676-A680 PolarHBondContact O-N 2.98Å; I677-A680 PolarHBondContact O-N 3.14Å; E678-A680 PolarHBondContact O-N 2.98Å; E678-A680 VanDerWaalsContact O-N 3.12Å |
| 681 | L | 92.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -81.2 | -38.6 | -177.1 | -73.4 | 166.2 | 0 | 0 | 0 | 113 | V640 Y656 I660 I677 E678 P683 T684 L685 L710 | V640-L681 HydrophobicContact CG2-CD2 3.69Å; V640-L681 HydrophobicContact CG2-CG 4.14Å; Y656-L681 WeakPolarHBondContact OH-CD2 3.45Å; I660-L681 HydrophobicContact CD1-CD1 4.17Å; I660-L681 HydrophobicContact CG2-CD1 4.37Å; I677-L681 HydrophobicContact CG2-CD1 3.71Å; I677-L681 PolarHBondContact O-N 3.09Å; I677-L681 VanDerWaalsContact O-N 3.07Å; E678-L681 PolarHBondContact O-N 3.45Å; L681-P683 VanDerWaalsContact C-CD 3.49Å; L681-T684 PolarHBondContact O-N 2.79Å; L681-T684 VanDerWaalsContact O-N 3.16Å; L681-L685 HydrophobicContact CB-CD1 3.98Å; L681-L685 WeakPolarHBondContact O-CG 3.35Å; L681-L685 PolarHBondContact O-N 3.46Å; L681-L710 HydrophobicContact CB-CD1 4.46Å; L681-L710 HydrophobicContact CD1-CD1 4.31Å; L681-L710 HydrophobicContact CD1-CD2 4.06Å |
| 682 | L | 92 | Very high | 89.1 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.6 | -43.8 | -172.7 | -75.2 | 172.3 | 0 | 0 | 0 | 114.3 | E678 T684 L685 I686 F707 L722 V726 | E678-L682 HydrophobicContact CB-CD1 3.94Å; E678-L682 HydrophobicContact CB-CG 4.38Å; E678-L682 WeakPolarHBondContact O-CB 3.37Å; E678-L682 WeakPolarHBondContact O-CD1 3.25Å; E678-L682 WeakPolarHBondContact O-CG 3.42Å; E678-L682 PolarHBondContact O-N 3.33Å; L682-T684 VanDerWaalsContact C-N 3.27Å; L682-T684 PolarHBondContact O-N 3.11Å; L682-L685 PolarHBondContact O-N 3.24Å; L682-I686 HydrophobicContact CB-CD1 4.09Å; L682-I686 HydrophobicContact CD2-CD1 4.14Å; L682-I686 HydrophobicContact CD2-CG1 4.42Å; L682-I686 VanDerWaalsContact O-CB 3.25Å; L682-I686 WeakPolarHBondContact O-CB 3.41Å; L682-I686 WeakPolarHBondContact O-CG1 3.34Å; L682-I686 PolarHBondContact O-N 3.27Å; L682-F707 HydrophobicContact CD2-CE1 3.75Å; L682-L722 HydrophobicContact CD2-CD2 3.78Å; L682-V726 HydrophobicContact CD2-CG2 3.94Å |
| 683 | P | 91.2 | Very high | 88.8 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 52% | 0.519 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.9 | -39.5 | 179.6 | -25.4 | 35.4 | 0 | 0 | 0 | 113 | N679 L681 T687 | N679-P683 VanDerWaalsContact O-CD 3.32Å; N679-P683 WeakPolarHBondContact O-CD 3.44Å; L681-P683 VanDerWaalsContact C-CD 3.49Å; P683-T687 VanDerWaalsContact O-CG2 3.24Å; P683-T687 WeakPolarHBondContact O-CG2 3.39Å |
| 684 | T | 90 | Very high | 88.7 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.4 | -49.6 | 179 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | V640 F643 L681 L682 I686 T687 Y688 | V640-T684 WeakPolarHBondContact CG1-OG1 3.48Å; F643-T684 HydrophobicContact CD1-CG2 4.2Å; L681-T684 PolarHBondContact O-N 2.79Å; L681-T684 VanDerWaalsContact O-N 3.16Å; L682-T684 VanDerWaalsContact C-N 3.27Å; L682-T684 PolarHBondContact O-N 3.11Å; T684-I686 PolarHBondContact O-N 3.17Å; T684-T687 PolarHBondContact O-N 2.66Å; T684-T687 PolarHBondContact O-OG1 3.12Å; T684-Y688 HydrophobicContact CG2-CE2 4.15Å; T684-Y688 VanDerWaalsContact O-CD2 3.29Å; T684-Y688 WeakPolarHBondContact O-CD2 3.45Å |
| 685 | L | 91.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | -175.6 | -61.3 | 175.2 | 0 | 0 | 0 | 113.1 | F643 L681 L682 T687 Y688 V706 F707 L710 | F643-L685 HydrophobicContact CD1-CD2 4.1Å; F643-L685 HydrophobicContact CE1-CD2 3.44Å; F643-L685 VanDerWaalsContact CE1-CD2 3.44Å; F643-L685 HydrophobicContact CE2-CD2 4.07Å; F643-L685 HydrophobicContact CZ-CD2 3.43Å; F643-L685 VanDerWaalsContact CZ-CD2 3.43Å; L681-L685 HydrophobicContact CB-CD1 3.98Å; L681-L685 WeakPolarHBondContact O-CG 3.35Å; L681-L685 PolarHBondContact O-N 3.46Å; L682-L685 PolarHBondContact O-N 3.24Å; L685-T687 VanDerWaalsContact C-N 3.27Å; L685-T687 PolarHBondContact O-N 2.69Å; L685-Y688 PolarHBondContact O-N 3.02Å; L685-V706 HydrophobicContact CD1-CB 4.21Å; L685-V706 HydrophobicContact CD1-CG1 3.62Å; L685-V706 HydrophobicContact CD2-CB 4.23Å; L685-V706 HydrophobicContact CD2-CG1 4.27Å; L685-F707 HydrophobicContact CB-CE1 3.99Å; L685-F707 HydrophobicContact CB-CE2 3.6Å; L685-F707 HydrophobicContact CB-CZ 3.3Å; L685-F707 HydrophobicContact CD1-CD1 4.39Å; L685-F707 HydrophobicContact CD1-CE1 4.12Å; L685-F707 HydrophobicContact CD1-CZ 4.23Å; L685-F707 HydrophobicContact CG-CZ 4.4Å; L685-L710 HydrophobicContact CD1-CD1 3.91Å |
| 686 | I | 90.8 | Very high | 88.4 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -32.5 | 179.7 | -70.1 | 172.1 | 0 | 0 | 0 | 111.2 | L682 T684 Y688 L689 E690 F707 R725 V726 | L682-I686 HydrophobicContact CB-CD1 4.09Å; L682-I686 HydrophobicContact CD2-CD1 4.14Å; L682-I686 HydrophobicContact CD2-CG1 4.42Å; L682-I686 VanDerWaalsContact O-CB 3.25Å; L682-I686 WeakPolarHBondContact O-CB 3.41Å; L682-I686 WeakPolarHBondContact O-CG1 3.34Å; L682-I686 PolarHBondContact O-N 3.27Å; T684-I686 PolarHBondContact O-N 3.17Å; I686-Y688 PolarHBondContact O-N 3.16Å; I686-L689 PolarHBondContact O-N 3.46Å; I686-E690 HydrophobicContact CG2-CG 3.73Å; I686-E690 VanDerWaalsContact CG2-OE1 3.29Å; I686-E690 WeakPolarHBondContact CG2-OE1 3.47Å; I686-E690 PolarHBondContact O-N 3.16Å; I686-F707 HydrophobicContact CG1-CZ 4.19Å; I686-R725 HydrophobicContact CD1-CB 4.41Å; I686-V726 HydrophobicContact CD1-CG2 4.09Å; I686-V726 HydrophobicContact CG1-CG2 4Å |
| 687 | T | 90.1 | Very high | 88.2 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.7 | -31.9 | 179.7 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | P683 T684 L685 N691 | P683-T687 VanDerWaalsContact O-CG2 3.24Å; P683-T687 WeakPolarHBondContact O-CG2 3.39Å; T684-T687 PolarHBondContact O-N 2.66Å; T684-T687 PolarHBondContact O-OG1 3.12Å; L685-T687 VanDerWaalsContact C-N 3.27Å; L685-T687 PolarHBondContact O-N 2.69Å; T687-N691 WeakPolarHBondContact O-CB 3.39Å; T687-N691 PolarHBondContact O-N 3.01Å; T687-N691 PolarHBondContact O-ND2 3.25Å |
| 688 | Y | 89 | Confident | 88 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.6 | -34 | 175.4 | -65.9 | -73.2 | 0 | 0 | 0 | 112.9 | F643 K644 F647 T684 L685 I686 H692 D699 S703 | F643-Y688 HydrophobicContact CD1-CE2 4.18Å; F643-Y688 HydrophobicContact CE1-CD2 4.18Å; F643-Y688 AromaticContact CE1-CE2 3.75Å; F643-Y688 HydrophobicContact CE1-CE2 3.75Å; K644-Y688 WeakPolarHBondContact CE-OH 3.45Å; K644-Y688 WeakPolarHBondContact CG-OH 3.33Å; F647-Y688 HydrophobicContact CE2-CE1 4.29Å; F647-Y688 HydrophobicContact CZ-CE2 4.33Å; F647-Y688 AromaticContact CZ-CZ 3.95Å; T684-Y688 HydrophobicContact CG2-CE2 4.15Å; T684-Y688 VanDerWaalsContact O-CD2 3.29Å; T684-Y688 WeakPolarHBondContact O-CD2 3.45Å; L685-Y688 PolarHBondContact O-N 3.02Å; I686-Y688 PolarHBondContact O-N 3.16Å; Y688-H692 WeakPolarHBondContact O-CA 3.27Å; Y688-H692 PolarHBondContact O-N 2.97Å; Y688-D699 HydrophobicContact CD1-CB 3.85Å; Y688-D699 HydrophobicContact CE1-CB 3.87Å; Y688-S703 WeakPolarHBondContact CB-OG 3.47Å; Y688-S703 VanDerWaalsContact CD2-OG 3.28Å; Y688-S703 WeakPolarHBondContact CD2-OG 3.4Å |
| 689 | L | 88.2 | Confident | 87.9 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.5 | -41.6 | 175.1 | -58.4 | -175.8 | 0 | 0 | 0 | 111.9 | I686 H692 L704 F707 V726 A729 V730 I733 | I686-L689 PolarHBondContact O-N 3.46Å; L689-H692 WeakPolarHBondContact O-CB 3.44Å; L689-H692 PolarHBondContact O-ND1 3.33Å; L689-H692 VanDerWaalsContact O-ND1 3.08Å; L689-L704 HydrophobicContact CD2-CD2 3.87Å; L689-L704 HydrophobicContact CD2-CG 4.29Å; L689-F707 HydrophobicContact CD1-CD2 3.97Å; L689-F707 HydrophobicContact CD1-CE2 3.34Å; L689-F707 HydrophobicContact CD1-CZ 3.87Å; L689-F707 HydrophobicContact CD2-CE2 4.33Å; L689-F707 HydrophobicContact CG-CE2 3.79Å; L689-V726 HydrophobicContact CD1-CG1 4Å; L689-A729 HydrophobicContact CB-CB 4.26Å; L689-A729 HydrophobicContact CD1-CB 4.27Å; L689-V730 HydrophobicContact CD1-CG2 4.1Å; L689-I733 HydrophobicContact CB-CD1 3.91Å; L689-I733 HydrophobicContact CD2-CD1 3.63Å; L689-I733 HydrophobicContact CG-CD1 4.31Å |
| 690 | E | 86.5 | Confident | 87.8 | Confident | 105 Ų | 105 | 54 Ų | 54 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 179.7 | -72.7 | 178.7 | 171.9 | 0 | 0 | 111.7 | I686 R725 | I686-E690 HydrophobicContact CG2-CG 3.73Å; I686-E690 VanDerWaalsContact CG2-OE1 3.29Å; I686-E690 WeakPolarHBondContact CG2-OE1 3.47Å; I686-E690 PolarHBondContact O-N 3.16Å; E690-R725 IonicContact OE1-CZ 3.95Å; E690-R725 IonicContact OE1-NE 2.79Å; E690-R725 IonicContact OE1-NH2 2.9Å; E690-R725 PolarHBondContact OE1-NH2 3.16Å; E690-R725 IonicContact OE2-NH2 3.29Å |
| 691 | N | 85.8 | Confident | 87.7 | Confident | 82 Ų | 82 | 54.9 Ų | 54.9 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 33.3 | 177.6 | -56.6 | -36.2 | 0 | 0 | 0 | 112.9 | T687 E693 E694 S695 | T687-N691 WeakPolarHBondContact O-CB 3.39Å; T687-N691 PolarHBondContact O-N 3.01Å; T687-N691 PolarHBondContact O-ND2 3.25Å; N691-E693 PolarHBondContact O-N 3.01Å; N691-E693 VanDerWaalsContact O-N 3.11Å; N691-E694 PolarHBondContact O-N 2.64Å; N691-S695 PolarHBondContact O-N 2.9Å; N691-S695 VanDerWaalsContact O-N 3.15Å; N691-S695 PolarHBondContact O-OG 3.38Å |
| 692 | H | 83 | Confident | 87.6 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.2 | -176.1 | 68.1 | -78.8 | 0 | 0 | 0 | 114.5 | Y688 L689 I700 I733 | Y688-H692 WeakPolarHBondContact O-CA 3.27Å; Y688-H692 PolarHBondContact O-N 2.97Å; L689-H692 WeakPolarHBondContact O-CB 3.44Å; L689-H692 PolarHBondContact O-ND1 3.33Å; L689-H692 VanDerWaalsContact O-ND1 3.08Å; H692-I700 HydrophobicContact CB-CD1 3.94Å; H692-I700 WeakPolarHBondContact O-CD1 3.31Å; H692-I733 HydrophobicContact CB-CD1 4.16Å; H692-I733 HydrophobicContact CB-CG1 4.25Å |
| 693 | E | 81.3 | Confident | 87.7 | Confident | 175 Ų | 175 | 54.3 Ų | 54.3 | 82% | 0.818 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -24.2 | 175.9 | -63.2 | -175.2 | 174.6 | 0 | 0 | 113.1 | N691 | N691-E693 PolarHBondContact O-N 3.01Å; N691-E693 VanDerWaalsContact O-N 3.11Å |
| 694 | E | 84.7 | Confident | 87.7 | Confident | 174 Ų | 174 | 50.5 Ų | 50.5 | 81% | 0.813 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -20.2 | -178.1 | -63.6 | -175.1 | 170.6 | 0 | 0 | 112.9 | N691 | N691-E694 PolarHBondContact O-N 2.64Š|
| 695 | S | 82.3 | Confident | 87.8 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -82.8 | 148 | -175.8 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | N691 | N691-S695 PolarHBondContact O-N 2.9Å; N691-S695 VanDerWaalsContact O-N 3.15Å; N691-S695 PolarHBondContact O-OG 3.38Å |
| 696 | E | 85.2 | Confident | 87.7 | Confident | 148 Ų | 148 | 52.1 Ų | 52.1 | 69% | 0.692 | 27% | 0.269 | S | S | * | . | trans | -67.3 | 150.5 | 172.6 | -64.2 | -176.1 | -179.4 | 0 | 0 | 110.4 | G698 D699 I700 | E696-G698 PolarHBondContact O-N 2.86Å; E696-D699 WeakPolarHBondContact O-CB 3.33Å; E696-D699 PolarHBondContact O-N 2.9Å; E696-D699 VanDerWaalsContact O-N 3.13Å; E696-I700 PolarHBondContact O-N 3.19Å | ||
| 697 | S | 84.6 | Confident | 87.8 | Confident | 58 Ų | 58 | 51.7 Ų | 51.7 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -35.9 | -177.5 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | D699 I700 E701 D739 | S697-D699 PolarHBondContact O-N 3.16Å; S697-I700 PolarHBondContact O-N 3.07Å; S697-E701 WeakPolarHBondContact O-CB 3.39Å; S697-E701 PolarHBondContact O-N 3.31Å; S697-D739 WeakPolarHBondContact CB-OD2 3.39Å |
| 698 | G | 85.8 | Confident | 87.8 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E696 I700 E701 A702 | E696-G698 PolarHBondContact O-N 2.86Å; G698-I700 VanDerWaalsContact C-N 3.33Å; G698-I700 PolarHBondContact O-N 3.12Å; G698-E701 PolarHBondContact O-N 3.48Å; G698-A702 WeakPolarHBondContact O-CB 3.49Å; G698-A702 PolarHBondContact O-N 3.44Å |
| 699 | D | 88.5 | Confident | 87.8 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 19% | 0.193 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 177.3 | -71 | 6.2 | 0 | 0 | 0 | 111.4 | F647 Y688 E696 S697 S703 | F647-D699 HydrophobicContact CD2-CB 4.45Å; F647-D699 WeakPolarHBondContact CD2-OD1 3.22Å; F647-D699 HydrophobicContact CE2-CB 4.07Å; F647-D699 VanDerWaalsContact CE2-OD1 3.32Å; F647-D699 WeakPolarHBondContact CE2-OD1 3.38Å; Y688-D699 HydrophobicContact CD1-CB 3.85Å; Y688-D699 HydrophobicContact CE1-CB 3.87Å; E696-D699 WeakPolarHBondContact O-CB 3.33Å; E696-D699 PolarHBondContact O-N 2.9Å; E696-D699 VanDerWaalsContact O-N 3.13Å; S697-D699 PolarHBondContact O-N 3.16Å; D699-S703 WeakPolarHBondContact O-CB 3.24Å; D699-S703 PolarHBondContact O-N 3.48Å; D699-S703 PolarHBondContact O-OG 2.88Å |
| 700 | I | 90.1 | Very high | 87.9 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.7 | -46.3 | 178.9 | -59.5 | 168.5 | 0 | 0 | 0 | 109.6 | H692 E696 S697 G698 S703 L704 V742 | H692-I700 HydrophobicContact CB-CD1 3.94Å; H692-I700 WeakPolarHBondContact O-CD1 3.31Å; E696-I700 PolarHBondContact O-N 3.19Å; S697-I700 PolarHBondContact O-N 3.07Å; G698-I700 VanDerWaalsContact C-N 3.33Å; G698-I700 PolarHBondContact O-N 3.12Å; I700-S703 PolarHBondContact O-N 2.86Å; I700-L704 HydrophobicContact CG2-CD1 3.82Å; I700-L704 HydrophobicContact CG2-CG 4.29Å; I700-L704 WeakPolarHBondContact O-CB 3.38Å; I700-L704 VanDerWaalsContact O-CG 3.27Å; I700-L704 WeakPolarHBondContact O-CG 3.44Å; I700-L704 PolarHBondContact O-N 2.97Å; I700-V742 HydrophobicContact CB-CG2 4.4Å; I700-V742 HydrophobicContact CG2-CG1 3.77Å; I700-V742 HydrophobicContact CG2-CG2 4.28Å |
| 701 | E | 89.6 | Confident | 88 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55 | -52.2 | 174.3 | 167 | 177.4 | -179.9 | 0 | 0 | 111.3 | S697 G698 S703 L704 K705 V741 E745 | S697-E701 WeakPolarHBondContact O-CB 3.39Å; S697-E701 PolarHBondContact O-N 3.31Å; G698-E701 PolarHBondContact O-N 3.48Å; E701-S703 VanDerWaalsContact C-N 3.27Å; E701-S703 PolarHBondContact O-N 2.9Å; E701-L704 PolarHBondContact O-N 2.79Å; E701-K705 HydrophobicContact CG-CD 4.17Å; E701-K705 WeakPolarHBondContact O-CG 3.34Å; E701-K705 PolarHBondContact O-N 3.13Å; E701-K705 WeakPolarHBondContact OE1-CE 3.42Å; E701-K705 IonicContact OE1-NZ 3.84Å; E701-K705 PolarHBondContact OE1-NZ 3.32Å; E701-V741 HydrophobicContact CG-CG1 4.42Å; E701-V741 VanDerWaalsContact OE2-CG1 3.31Å; E701-V741 WeakPolarHBondContact OE2-CG1 3.46Å; E701-E745 HydrophobicContact CG-CG 4.05Å |
| 702 | A | 90.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F643 F647 L653 G698 K705 V706 | F643-A702 HydrophobicContact CE2-CB 4.43Å; F643-A702 HydrophobicContact CZ-CB 4.3Å; F647-A702 HydrophobicContact CD1-CB 3.68Å; F647-A702 HydrophobicContact CE1-CB 3.76Å; L653-A702 HydrophobicContact CD1-CB 3.94Å; L653-A702 HydrophobicContact CD2-CB 3.88Å; G698-A702 WeakPolarHBondContact O-CB 3.49Å; G698-A702 PolarHBondContact O-N 3.44Å; A702-K705 PolarHBondContact O-N 3.27Å; A702-V706 WeakPolarHBondContact O-CG2 3.44Å; A702-V706 PolarHBondContact O-N 3.03Å |
| 703 | S | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | Y688 D699 I700 E701 V706 F707 | Y688-S703 WeakPolarHBondContact CB-OG 3.47Å; Y688-S703 VanDerWaalsContact CD2-OG 3.28Å; Y688-S703 WeakPolarHBondContact CD2-OG 3.4Å; D699-S703 WeakPolarHBondContact O-CB 3.24Å; D699-S703 PolarHBondContact O-N 3.48Å; D699-S703 PolarHBondContact O-OG 2.88Å; I700-S703 PolarHBondContact O-N 2.86Å; E701-S703 VanDerWaalsContact C-N 3.27Å; E701-S703 PolarHBondContact O-N 2.9Å; S703-V706 PolarHBondContact O-N 3.3Å; S703-F707 WeakPolarHBondContact O-CD2 3.48Å; S703-F707 PolarHBondContact O-N 3.37Å |
| 704 | L | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.1 | -71.3 | 168.9 | 0 | 0 | 0 | 111.7 | L689 I700 E701 V706 F707 G708 V730 V742 E745 C746 V749 | L689-L704 HydrophobicContact CD2-CD2 3.87Å; L689-L704 HydrophobicContact CD2-CG 4.29Å; I700-L704 HydrophobicContact CG2-CD1 3.82Å; I700-L704 HydrophobicContact CG2-CG 4.29Å; I700-L704 WeakPolarHBondContact O-CB 3.38Å; I700-L704 VanDerWaalsContact O-CG 3.27Å; I700-L704 WeakPolarHBondContact O-CG 3.44Å; I700-L704 PolarHBondContact O-N 2.97Å; E701-L704 PolarHBondContact O-N 2.79Å; L704-V706 VanDerWaalsContact C-N 3.33Å; L704-V706 PolarHBondContact O-N 2.9Å; L704-F707 WeakPolarHBondContact O-CB 3.21Å; L704-F707 PolarHBondContact O-N 3.05Å; L704-F707 VanDerWaalsContact O-N 3.12Å; L704-G708 PolarHBondContact O-N 3.29Å; L704-V730 HydrophobicContact CD2-CG1 4.49Å; L704-V730 HydrophobicContact CD2-CG2 4.01Å; L704-V742 HydrophobicContact CD1-CG1 4.21Å; L704-E745 HydrophobicContact CB-CB 3.88Å; L704-E745 HydrophobicContact CD1-CB 3.69Å; L704-E745 HydrophobicContact CG-CB 4.44Å; L704-C746 VanDerWaalsContact CD1-SG 3.53Å; L704-V749 HydrophobicContact CB-CG2 4.07Å; L704-V749 HydrophobicContact CD2-CG2 4.08Å; L704-V749 WeakPolarHBondContact O-CG2 3.38Å |
| 705 | K | 90.2 | Very high | 86.8 | Confident | 72 Ų | 72 | 35.4 Ų | 35.4 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 174.3 | -76 | 177.8 | 171.7 | 170.6 | 0 | 112.2 | L653 T657 E701 A702 G708 V709 E745 | L653-K705 HydrophobicContact CD2-CD 4.13Å; T657-K705 HydrophobicContact CG2-CB 4.39Å; E701-K705 HydrophobicContact CG-CD 4.17Å; E701-K705 WeakPolarHBondContact O-CG 3.34Å; E701-K705 PolarHBondContact O-N 3.13Å; E701-K705 WeakPolarHBondContact OE1-CE 3.42Å; E701-K705 IonicContact OE1-NZ 3.84Å; E701-K705 PolarHBondContact OE1-NZ 3.32Å; A702-K705 PolarHBondContact O-N 3.27Å; K705-G708 PolarHBondContact O-N 3.14Å; K705-V709 PolarHBondContact O-N 3.44Å; K705-E745 WeakPolarHBondContact CE-OE1 3.35Å; K705-E745 VanDerWaalsContact CG-OE2 3.3Å; K705-E745 WeakPolarHBondContact CG-OE2 3.47Å; K705-E745 IonicContact NZ-OE1 2.73Å |
| 706 | V | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | F643 Y656 T657 L685 A702 S703 L704 G708 V709 L710 | F643-V706 HydrophobicContact CD2-CG2 4.35Å; F643-V706 HydrophobicContact CE2-CG2 3.62Å; F643-V706 HydrophobicContact CZ-CG2 4.36Å; Y656-V706 HydrophobicContact CD1-CG2 3.98Å; Y656-V706 HydrophobicContact CE1-CG1 4.46Å; Y656-V706 HydrophobicContact CE1-CG2 3.67Å; T657-V706 HydrophobicContact CG2-CG2 4.18Å; L685-V706 HydrophobicContact CD1-CB 4.21Å; L685-V706 HydrophobicContact CD1-CG1 3.62Å; L685-V706 HydrophobicContact CD2-CB 4.23Å; L685-V706 HydrophobicContact CD2-CG1 4.27Å; A702-V706 WeakPolarHBondContact O-CG2 3.44Å; A702-V706 PolarHBondContact O-N 3.03Å; S703-V706 PolarHBondContact O-N 3.3Å; L704-V706 VanDerWaalsContact C-N 3.33Å; L704-V706 PolarHBondContact O-N 2.9Å; V706-G708 VanDerWaalsContact C-N 3.34Å; V706-G708 PolarHBondContact O-N 3.38Å; V706-V709 WeakPolarHBondContact O-CB 3.5Å; V706-V709 PolarHBondContact O-N 3.31Å; V706-L710 HydrophobicContact CG1-CD1 4.35Å; V706-L710 HydrophobicContact CG1-CG 4.47Å; V706-L710 WeakPolarHBondContact O-CG 3.42Å; V706-L710 PolarHBondContact O-N 3.13Å |
| 707 | F | 92.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 173.2 | -78.6 | -59.1 | 0 | 0 | 0 | 112.4 | L682 L685 I686 L689 S703 L704 V709 L710 I711 L722 V726 V749 | L682-F707 HydrophobicContact CD2-CE1 3.75Å; L685-F707 HydrophobicContact CB-CE1 3.99Å; L685-F707 HydrophobicContact CB-CE2 3.6Å; L685-F707 HydrophobicContact CB-CZ 3.3Å; L685-F707 HydrophobicContact CD1-CD1 4.39Å; L685-F707 HydrophobicContact CD1-CE1 4.12Å; L685-F707 HydrophobicContact CD1-CZ 4.23Å; L685-F707 HydrophobicContact CG-CZ 4.4Å; I686-F707 HydrophobicContact CG1-CZ 4.19Å; L689-F707 HydrophobicContact CD1-CD2 3.97Å; L689-F707 HydrophobicContact CD1-CE2 3.34Å; L689-F707 HydrophobicContact CD1-CZ 3.87Å; L689-F707 HydrophobicContact CD2-CE2 4.33Å; L689-F707 HydrophobicContact CG-CE2 3.79Å; S703-F707 WeakPolarHBondContact O-CD2 3.48Å; S703-F707 PolarHBondContact O-N 3.37Å; L704-F707 WeakPolarHBondContact O-CB 3.21Å; L704-F707 PolarHBondContact O-N 3.05Å; L704-F707 VanDerWaalsContact O-N 3.12Å; F707-V709 PolarHBondContact O-N 2.65Å; F707-L710 HydrophobicContact CD1-CD1 4.45Å; F707-L710 PolarHBondContact O-N 2.86Å; F707-I711 HydrophobicContact CB-CD1 4.29Å; F707-I711 VanDerWaalsContact O-CD1 3.28Å; F707-I711 WeakPolarHBondContact O-CD1 3.22Å; F707-I711 VanDerWaalsContact O-CG1 3.26Å; F707-I711 WeakPolarHBondContact O-CG1 3.47Å; F707-I711 PolarHBondContact O-N 2.98Å; F707-L722 HydrophobicContact CD1-CD2 4.21Å; F707-L722 HydrophobicContact CE1-CD2 4.35Å; F707-V726 HydrophobicContact CD1-CG1 3.72Å; F707-V726 HydrophobicContact CD1-CG2 4.42Å; F707-V726 HydrophobicContact CD2-CG1 4.34Å; F707-V726 HydrophobicContact CE1-CB 4.32Å; F707-V726 HydrophobicContact CE1-CG1 3.66Å; F707-V726 HydrophobicContact CE1-CG2 3.68Å; F707-V726 HydrophobicContact CE2-CG1 4.31Å; F707-V726 HydrophobicContact CG-CG1 4.06Å; F707-V726 HydrophobicContact CZ-CG1 3.96Å; F707-V726 HydrophobicContact CZ-CG2 4.06Å; F707-V749 HydrophobicContact CB-CG1 4.4Å; F707-V749 HydrophobicContact CB-CG2 4.29Å |
| 708 | G | 89.5 | Confident | 86.6 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L704 K705 V706 | L704-G708 PolarHBondContact O-N 3.29Å; K705-G708 PolarHBondContact O-N 3.14Å; V706-G708 VanDerWaalsContact C-N 3.34Å; V706-G708 PolarHBondContact O-N 3.38Å |
| 709 | V | 88.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.7 | -44.2 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 112.3 | I660 R661 K705 V706 F707 I711 S712 | I660-V709 HydrophobicContact CB-CG1 4.31Å; I660-V709 HydrophobicContact CG2-CG1 3.88Å; R661-V709 VanDerWaalsContact CA-CG1 3.41Å; R661-V709 HydrophobicContact CB-CG1 3.62Å; R661-V709 HydrophobicContact CG-CG1 4.29Å; K705-V709 PolarHBondContact O-N 3.44Å; V706-V709 WeakPolarHBondContact O-CB 3.5Å; V706-V709 PolarHBondContact O-N 3.31Å; F707-V709 PolarHBondContact O-N 2.65Å; V709-I711 PolarHBondContact O-N 3.04Å; V709-S712 PolarHBondContact O-OG 3.33Å |
| 710 | L | 89.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.4 | -22.8 | 179 | -65.5 | 177.1 | 0 | 0 | 0 | 112.8 | I660 Y664 I677 L681 L685 V706 F707 S712 | I660-L710 HydrophobicContact CG2-CD2 4Å; Y664-L710 HydrophobicContact CD2-CD2 3.7Å; Y664-L710 HydrophobicContact CE2-CD2 3.94Å; Y664-L710 PolarHBondContact OH-O 3.42Å; Y664-L710 VanDerWaalsContact OH-O 3.05Å; I677-L710 HydrophobicContact CG2-CD2 3.99Å; L681-L710 HydrophobicContact CB-CD1 4.46Å; L681-L710 HydrophobicContact CD1-CD1 4.31Å; L681-L710 HydrophobicContact CD1-CD2 4.06Å; L685-L710 HydrophobicContact CD1-CD1 3.91Å; V706-L710 HydrophobicContact CG1-CD1 4.35Å; V706-L710 HydrophobicContact CG1-CG 4.47Å; V706-L710 WeakPolarHBondContact O-CG 3.42Å; V706-L710 PolarHBondContact O-N 3.13Å; F707-L710 HydrophobicContact CD1-CD1 4.45Å; F707-L710 PolarHBondContact O-N 2.86Å; L710-S712 VanDerWaalsContact C-N 3.35Å; L710-S712 PolarHBondContact O-N 3.12Å |
| 711 | I | 88.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -97.5 | 61.4 | 178.5 | -54.6 | 152 | 0 | 0 | 0 | 109.3 | F707 V709 I718 L722 V749 C752 Y753 A756 | F707-I711 HydrophobicContact CB-CD1 4.29Å; F707-I711 VanDerWaalsContact O-CD1 3.28Å; F707-I711 WeakPolarHBondContact O-CD1 3.22Å; F707-I711 VanDerWaalsContact O-CG1 3.26Å; F707-I711 WeakPolarHBondContact O-CG1 3.47Å; F707-I711 PolarHBondContact O-N 2.98Å; V709-I711 PolarHBondContact O-N 3.04Å; I711-I718 HydrophobicContact CG2-CD1 4.04Å; I711-L722 HydrophobicContact CG1-CD1 4.41Å; I711-V749 HydrophobicContact CD1-CG1 3.57Å; I711-C752 HydrophobicContact CB-CB 4.05Å; I711-C752 HydrophobicContact CG2-CB 4.04Å; I711-C752 WeakPolarHBondContact O-CB 3.46Å; I711-Y753 HydrophobicContact CD1-CD2 3.83Å; I711-Y753 HydrophobicContact CD1-CE1 4.08Å; I711-Y753 HydrophobicContact CD1-CE2 3.25Å; I711-Y753 HydrophobicContact CD1-CG 4.45Å; I711-Y753 HydrophobicContact CG1-CE1 4.16Å; I711-Y753 HydrophobicContact CG1-CE2 4.21Å; I711-Y753 HydrophobicContact CG2-CD1 3.77Å; I711-Y753 HydrophobicContact CG2-CD2 4.27Å; I711-Y753 HydrophobicContact CG2-CE1 4.06Å; I711-Y753 HydrophobicContact CG2-CG 3.85Å; I711-A756 HydrophobicContact CG2-CB 4.21Å |
| 712 | S | 79.8 | Confident | 86.6 | Confident | 31 Ų | 31 | 31.3 Ų | 31.3 | 22% | 0.217 | 18% | 0.182 | C | C | . | . | trans | -103.3 | 151.8 | 176.8 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | V709 L710 S714 | V709-S712 PolarHBondContact O-OG 3.33Å; L710-S712 VanDerWaalsContact C-N 3.35Å; L710-S712 PolarHBondContact O-N 3.12Å; S712-S714 PolarHBondContact O-N 2.97Å | ||
| 713 | P | 75.4 | Confident | 86.6 | Confident | 64 Ų | 64 | 31.9 Ų | 31.9 | 42% | 0.416 | 19% | 0.185 | S | C | . | . | trans | -54.3 | 126.2 | 174.3 | -23.4 | 32.3 | 0 | 0 | 0 | 111.5 | A756 | P713-A756 HydrophobicContact CG-CB 4.37Š| ||
| 714 | S | 77.8 | Confident | 86.5 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 19% | 0.189 | 22% | 0.216 | C | C | . | . | trans | -136.3 | 157.5 | -179.3 | 88 | 0 | 0 | 0 | 0 | 111.2 | S712 F716 G717 | S712-S714 PolarHBondContact O-N 2.97Å; S714-F716 PolarHBondContact O-N 3Å; S714-F716 PolarHBondContact OG-N 2.97Å; S714-G717 PolarHBondContact O-N 3.06Å; S714-G717 PolarHBondContact OG-N 3.04Å; S714-G717 PolarHBondContact OG-O 3.15Å | ||
| 715 | E | 77 | Confident | 86.3 | Confident | 169 Ų | 169 | 45 Ų | 45 | 79% | 0.79 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.6 | 176.5 | -65.4 | -172.1 | 168.5 | 0 | 0 | 113.1 | ||
| 716 | F | 80.4 | Confident | 86.5 | Confident | 93 Ų | 93 | 41.6 Ų | 41.6 | 41% | 0.408 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -3.2 | -175.7 | -54 | -66.2 | 0 | 0 | 0 | 113.8 | S668 K671 I674 S714 | S668-F716 WeakPolarHBondContact O-CE2 3.48Å; K671-F716 HydrophobicContact CB-CD1 4.32Å; K671-F716 HydrophobicContact CB-CD2 4.15Å; K671-F716 HydrophobicContact CB-CE1 4.22Å; K671-F716 HydrophobicContact CB-CE2 4.03Å; K671-F716 HydrophobicContact CB-CG 4.29Å; K671-F716 HydrophobicContact CB-CZ 4.08Å; K671-F716 HydrophobicContact CG-CG 4.41Å; I674-F716 HydrophobicContact CD1-CD2 3.76Å; I674-F716 HydrophobicContact CD1-CE2 4.24Å; S714-F716 PolarHBondContact O-N 3Å; S714-F716 PolarHBondContact OG-N 2.97Å |
| 717 | G | 82 | Confident | 86.6 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 22% | 0.216 | 23% | 0.226 | C | C | . | . | trans | 71.1 | -173.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S714 | S714-G717 PolarHBondContact O-N 3.06Å; S714-G717 PolarHBondContact OG-N 3.04Å; S714-G717 PolarHBondContact OG-O 3.15Å | ||
| 718 | I | 86.1 | Confident | 86.6 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -81.3 | 137.6 | -178.8 | -51 | 174.2 | 0 | 0 | 0 | 109.3 | I711 L722 I723 Y753 A756 Q760 | I711-I718 HydrophobicContact CG2-CD1 4.04Å; I718-L722 HydrophobicContact CG2-CB 3.77Å; I718-L722 HydrophobicContact CG2-CD1 4.05Å; I718-I723 HydrophobicContact CB-CD1 3.89Å; I718-I723 HydrophobicContact CB-CG1 4.12Å; I718-I723 HydrophobicContact CG2-CD1 4.12Å; I718-I723 HydrophobicContact CG2-CG1 3.8Å; I718-Y753 HydrophobicContact CD1-CD1 3.64Å; I718-Y753 HydrophobicContact CD1-CE1 4.28Å; I718-Y753 HydrophobicContact CG2-CD1 4.45Å; I718-Y753 HydrophobicContact CG2-CE1 4.03Å; I718-A756 HydrophobicContact CD1-CB 3.94Å; I718-A756 HydrophobicContact CG1-CB 4.03Å; I718-Q760 PolarHBondContact O-NE2 3.46Å |
| 719 | S | 88.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 44 Ų | 44 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | trans | -66.4 | 153.7 | -179.3 | 78.2 | 0 | 0 | 0 | 0 | 113 | E678 S721 L722 I723 | E678-S719 WeakPolarHBondContact OE2-CB 3.21Å; E678-S719 PolarHBondContact OE2-OG 2.96Å; S719-S721 PolarHBondContact O-N 3.48Å; S719-L722 PolarHBondContact O-N 3.03Å; S719-L722 WeakPolarHBondContact OG-CG 3.38Å; S719-I723 PolarHBondContact O-N 2.87Å; S719-I723 VanDerWaalsContact O-N 3.14Å | ||
| 720 | S | 87.4 | Confident | 87 | Confident | 74 Ų | 74 | 43.9 Ų | 43.9 | 52% | 0.517 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.2 | -31.6 | -179.6 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | I723 Q724 | S720-I723 PolarHBondContact O-N 2.89Å; S720-Q724 VanDerWaalsContact O-CB 3.22Å; S720-Q724 WeakPolarHBondContact O-CB 3.45Å; S720-Q724 WeakPolarHBondContact O-CG 3.32Å; S720-Q724 PolarHBondContact O-N 3.22Å |
| 721 | S | 86.8 | Confident | 87.2 | Confident | 48 Ų | 48 | 44 Ų | 44 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.8 | -43.5 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | S719 R725 | S719-S721 PolarHBondContact O-N 3.48Å; S721-R725 PolarHBondContact O-N 3.15Å |
| 722 | L | 90.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -62.2 | -45.7 | 174.8 | -71.2 | 171 | 0 | 0 | 0 | 110.5 | E678 L682 F707 I711 I718 S719 V726 F727 Y753 | E678-L722 WeakPolarHBondContact OE1-CD1 3.44Å; L682-L722 HydrophobicContact CD2-CD2 3.78Å; F707-L722 HydrophobicContact CD1-CD2 4.21Å; F707-L722 HydrophobicContact CE1-CD2 4.35Å; I711-L722 HydrophobicContact CG1-CD1 4.41Å; I718-L722 HydrophobicContact CG2-CB 3.77Å; I718-L722 HydrophobicContact CG2-CD1 4.05Å; S719-L722 PolarHBondContact O-N 3.03Å; S719-L722 WeakPolarHBondContact OG-CG 3.38Å; L722-V726 HydrophobicContact CD2-CB 4.39Å; L722-V726 HydrophobicContact CD2-CG2 4.08Å; L722-V726 WeakPolarHBondContact O-CA 3.46Å; L722-V726 VanDerWaalsContact O-CB 3.31Å; L722-V726 WeakPolarHBondContact O-CB 3.37Å; L722-V726 PolarHBondContact O-N 3.32Å; L722-V726 VanDerWaalsContact O-N 3.13Å; L722-F727 PolarHBondContact O-N 3.07Å; L722-Y753 PolarHBondContact O-OH 3.27Å |
| 723 | I | 91 | Very high | 88.1 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -69.2 | -43 | 179.7 | -69.7 | 168.2 | 0 | 0 | 0 | 113 | I718 S719 S720 F727 P728 Q760 W764 | I718-I723 HydrophobicContact CB-CD1 3.89Å; I718-I723 HydrophobicContact CB-CG1 4.12Å; I718-I723 HydrophobicContact CG2-CD1 4.12Å; I718-I723 HydrophobicContact CG2-CG1 3.8Å; S719-I723 PolarHBondContact O-N 2.87Å; S719-I723 VanDerWaalsContact O-N 3.14Å; S720-I723 PolarHBondContact O-N 2.89Å; I723-F727 WeakPolarHBondContact O-CB 3.49Å; I723-P728 WeakPolarHBondContact O-CD 3.39Å; I723-Q760 HydrophobicContact CD1-CB 3.76Å; I723-Q760 HydrophobicContact CD1-CG 4.36Å; I723-W764 HydrophobicContact CG2-CB 4.29Å; I723-W764 HydrophobicContact CG2-CG 3.97Å |
| 724 | Q | 89.5 | Confident | 88.9 | Confident | 138 Ų | 138 | 44.1 Ų | 44.1 | 65% | 0.645 | 23% | 0.232 | S | C | * | . | I | π-helix | trans | -87.9 | -29 | -170.6 | -68.1 | 179.7 | -10.7 | 0 | 0 | 113.9 | S720 | S720-Q724 VanDerWaalsContact O-CB 3.22Å; S720-Q724 WeakPolarHBondContact O-CB 3.45Å; S720-Q724 WeakPolarHBondContact O-CG 3.32Å; S720-Q724 PolarHBondContact O-N 3.22Å |
| 725 | R | 90.2 | Very high | 89.7 | Confident | 137 Ų | 137 | 45 Ų | 45 | 52% | 0.517 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -106 | -47 | 177.6 | -86.8 | -176.5 | 88.1 | 179.3 | 6.5 | 113.3 | I686 E690 S721 A729 | I686-R725 HydrophobicContact CD1-CB 4.41Å; E690-R725 IonicContact OE1-CZ 3.95Å; E690-R725 IonicContact OE1-NE 2.79Å; E690-R725 IonicContact OE1-NH2 2.9Å; E690-R725 PolarHBondContact OE1-NH2 3.16Å; E690-R725 IonicContact OE2-NH2 3.29Å; S721-R725 PolarHBondContact O-N 3.15Å; R725-A729 WeakPolarHBondContact O-CB 3.36Å; R725-A729 PolarHBondContact O-N 3.46Å |
| 726 | V | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -79.8 | -47.3 | -169.9 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | L682 I686 L689 F707 L722 A729 V730 | L682-V726 HydrophobicContact CD2-CG2 3.94Å; I686-V726 HydrophobicContact CD1-CG2 4.09Å; I686-V726 HydrophobicContact CG1-CG2 4Å; L689-V726 HydrophobicContact CD1-CG1 4Å; F707-V726 HydrophobicContact CD1-CG1 3.72Å; F707-V726 HydrophobicContact CD1-CG2 4.42Å; F707-V726 HydrophobicContact CD2-CG1 4.34Å; F707-V726 HydrophobicContact CE1-CB 4.32Å; F707-V726 HydrophobicContact CE1-CG1 3.66Å; F707-V726 HydrophobicContact CE1-CG2 3.68Å; F707-V726 HydrophobicContact CE2-CG1 4.31Å; F707-V726 HydrophobicContact CG-CG1 4.06Å; F707-V726 HydrophobicContact CZ-CG1 3.96Å; F707-V726 HydrophobicContact CZ-CG2 4.06Å; L722-V726 HydrophobicContact CD2-CB 4.39Å; L722-V726 HydrophobicContact CD2-CG2 4.08Å; L722-V726 WeakPolarHBondContact O-CA 3.46Å; L722-V726 VanDerWaalsContact O-CB 3.31Å; L722-V726 WeakPolarHBondContact O-CB 3.37Å; L722-V726 PolarHBondContact O-N 3.32Å; L722-V726 VanDerWaalsContact O-N 3.13Å; V726-A729 WeakPolarHBondContact O-CB 3.29Å; V726-A729 PolarHBondContact O-N 3.08Å; V726-A729 VanDerWaalsContact O-N 3.12Å; V726-V730 HydrophobicContact CG1-CG2 3.95Å; V726-V730 WeakPolarHBondContact O-CG2 3.47Å; V726-V730 PolarHBondContact O-N 3.42Å |
| 727 | F | 93.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.6 | -48.2 | 179.5 | 173 | -97.8 | 0 | 0 | 0 | 113.1 | L722 I723 A729 V730 V731 Y753 I761 W764 I776 | L722-F727 PolarHBondContact O-N 3.07Å; I723-F727 WeakPolarHBondContact O-CB 3.49Å; F727-A729 VanDerWaalsContact C-N 3.31Å; F727-A729 PolarHBondContact O-N 3.25Å; F727-V730 PolarHBondContact O-N 2.97Å; F727-V731 HydrophobicContact CD1-CG2 4.49Å; F727-V731 HydrophobicContact CD2-CG2 4.23Å; F727-V731 HydrophobicContact CE1-CG2 4.1Å; F727-V731 HydrophobicContact CE2-CG2 3.82Å; F727-V731 HydrophobicContact CZ-CG2 3.75Å; F727-V731 WeakPolarHBondContact O-CB 3.46Å; F727-V731 WeakPolarHBondContact O-CG2 3.44Å; F727-V731 PolarHBondContact O-N 3.4Å; F727-Y753 HydrophobicContact CB-CE1 4.12Å; F727-Y753 HydrophobicContact CB-CE2 4.1Å; F727-Y753 HydrophobicContact CD2-CD1 4.39Å; F727-Y753 AromaticContact CD2-CD2 3.89Å; F727-Y753 HydrophobicContact CD2-CD2 3.89Å; F727-Y753 HydrophobicContact CD2-CE2 4.05Å; F727-Y753 HydrophobicContact CD2-CG 4.09Å; F727-Y753 PolarHBondContact N-OH 3.45Å; F727-I761 HydrophobicContact CD2-CD1 3.89Å; F727-I761 HydrophobicContact CE2-CD1 3.91Å; F727-I761 HydrophobicContact CG-CD1 4.21Å; F727-I761 HydrophobicContact CZ-CD1 4.24Å; F727-I761 HydrophobicContact CZ-CG2 4.24Å; F727-W764 HydrophobicContact CD1-CD2 4.32Å; F727-W764 HydrophobicContact CD1-CE3 4.34Å; F727-W764 HydrophobicContact CD1-CZ3 4.47Å; F727-W764 HydrophobicContact CE1-CD2 4.31Å; F727-W764 AromaticContact CE1-CE3 3.91Å; F727-W764 HydrophobicContact CE1-CE3 3.91Å; F727-W764 HydrophobicContact CE1-CH2 4.48Å; F727-W764 AromaticContact CE1-CZ3 4Å; F727-W764 HydrophobicContact CE1-CZ3 4Å; F727-I776 HydrophobicContact CE2-CD1 4.05Å; F727-I776 HydrophobicContact CE2-CG1 4.15Å; F727-I776 HydrophobicContact CZ-CD1 4.16Å; F727-I776 HydrophobicContact CZ-CG1 4.05Å |
| 728 | P | 93 | Very high | 91.3 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.1 | -36.1 | 176.6 | -24.3 | 36.6 | 0 | 0 | 0 | 113 | I723 H732 W764 | I723-P728 WeakPolarHBondContact O-CD 3.39Å; P728-H732 VanDerWaalsContact O-CB 3.27Å; P728-H732 WeakPolarHBondContact O-CB 3.13Å; P728-H732 PolarHBondContact O-N 3.04Å; P728-W764 HydrophobicContact CB-CZ2 4.43Å; P728-W764 HydrophobicContact CG-CH2 4.16Å; P728-W764 HydrophobicContact CG-CZ2 3.54Å |
| 729 | A | 92.5 | Very high | 91.6 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -45.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L689 R725 V726 F727 H732 I733 | L689-A729 HydrophobicContact CB-CB 4.26Å; L689-A729 HydrophobicContact CD1-CB 4.27Å; R725-A729 WeakPolarHBondContact O-CB 3.36Å; R725-A729 PolarHBondContact O-N 3.46Å; V726-A729 WeakPolarHBondContact O-CB 3.29Å; V726-A729 PolarHBondContact O-N 3.08Å; V726-A729 VanDerWaalsContact O-N 3.12Å; F727-A729 VanDerWaalsContact C-N 3.31Å; F727-A729 PolarHBondContact O-N 3.25Å; A729-H732 PolarHBondContact O-N 3.37Å; A729-I733 VanDerWaalsContact O-CG1 3.28Å; A729-I733 WeakPolarHBondContact O-CG1 3.07Å; A729-I733 PolarHBondContact O-N 3.38Å |
| 730 | V | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L689 L704 V726 F727 H732 I733 A734 C746 V749 I750 | L689-V730 HydrophobicContact CD1-CG2 4.1Å; L704-V730 HydrophobicContact CD2-CG1 4.49Å; L704-V730 HydrophobicContact CD2-CG2 4.01Å; V726-V730 HydrophobicContact CG1-CG2 3.95Å; V726-V730 WeakPolarHBondContact O-CG2 3.47Å; V726-V730 PolarHBondContact O-N 3.42Å; F727-V730 PolarHBondContact O-N 2.97Å; V730-H732 VanDerWaalsContact C-N 3.34Å; V730-H732 PolarHBondContact O-N 2.98Å; V730-I733 PolarHBondContact O-N 3.15Å; V730-A734 WeakPolarHBondContact O-CB 3.46Å; V730-A734 PolarHBondContact O-N 3.42Å; V730-C746 HydrophobicContact CG1-CB 3.97Å; V730-V749 HydrophobicContact CG1-CB 4.17Å; V730-V749 HydrophobicContact CG1-CG1 4Å; V730-V749 HydrophobicContact CG2-CG1 4.04Å; V730-I750 HydrophobicContact CG1-CD1 4.41Å; V730-I750 HydrophobicContact CG1-CG1 4.02Å |
| 731 | V | 94.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 175.3 | 165.1 | 0 | 0 | 0 | 0 | 111.1 | F727 A734 I735 I750 Y775 V779 | F727-V731 HydrophobicContact CD1-CG2 4.49Å; F727-V731 HydrophobicContact CD2-CG2 4.23Å; F727-V731 HydrophobicContact CE1-CG2 4.1Å; F727-V731 HydrophobicContact CE2-CG2 3.82Å; F727-V731 HydrophobicContact CZ-CG2 3.75Å; F727-V731 WeakPolarHBondContact O-CB 3.46Å; F727-V731 WeakPolarHBondContact O-CG2 3.44Å; F727-V731 PolarHBondContact O-N 3.4Å; V731-A734 PolarHBondContact O-N 3.45Å; V731-I735 HydrophobicContact CG1-CD1 3.71Å; V731-I735 WeakPolarHBondContact O-CD1 3.44Å; V731-I735 VanDerWaalsContact O-CG1 3.25Å; V731-I735 WeakPolarHBondContact O-CG1 3.49Å; V731-I735 PolarHBondContact O-N 2.93Å; V731-I735 VanDerWaalsContact O-N 3.1Å; V731-I750 HydrophobicContact CG2-CD1 4.37Å; V731-Y775 HydrophobicContact CG1-CD1 3.59Å; V731-Y775 HydrophobicContact CG1-CE1 4.49Å; V731-Y775 HydrophobicContact CG1-CG 3.89Å; V731-V779 HydrophobicContact CG1-CG2 4.3Å |
| 732 | H | 92.9 | Very high | 92.1 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 45% | 0.449 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60 | -49.8 | 177.6 | 178 | -86.1 | 0 | 0 | 0 | 111.2 | P728 A729 V730 A734 I735 T736 | P728-H732 VanDerWaalsContact O-CB 3.27Å; P728-H732 WeakPolarHBondContact O-CB 3.13Å; P728-H732 PolarHBondContact O-N 3.04Å; A729-H732 PolarHBondContact O-N 3.37Å; V730-H732 VanDerWaalsContact C-N 3.34Å; V730-H732 PolarHBondContact O-N 2.98Å; H732-A734 VanDerWaalsContact C-N 3.3Å; H732-A734 PolarHBondContact O-N 3.41Å; H732-I735 CarbonylContact O-C 3.48Å; H732-I735 WeakPolarHBondContact O-CA 3.49Å; H732-I735 PolarHBondContact O-N 3.44Å; H732-T736 VanDerWaalsContact CE1-CG2 3.47Å; H732-T736 WeakPolarHBondContact CE1-CG2 3.48Å; H732-T736 PolarHBondContact O-N 3.14Å; H732-T736 PolarHBondContact O-OG1 2.88Å; H732-T736 VanDerWaalsContact O-OG1 3.06Å |
| 733 | I | 93.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 177.4 | -65 | 163.4 | 0 | 0 | 0 | 110.8 | L689 H692 A729 V730 I735 T736 S737 V742 | L689-I733 HydrophobicContact CB-CD1 3.91Å; L689-I733 HydrophobicContact CD2-CD1 3.63Å; L689-I733 HydrophobicContact CG-CD1 4.31Å; H692-I733 HydrophobicContact CB-CD1 4.16Å; H692-I733 HydrophobicContact CB-CG1 4.25Å; A729-I733 VanDerWaalsContact O-CG1 3.28Å; A729-I733 WeakPolarHBondContact O-CG1 3.07Å; A729-I733 PolarHBondContact O-N 3.38Å; V730-I733 PolarHBondContact O-N 3.15Å; I733-I735 PolarHBondContact O-N 2.93Å; I733-T736 PolarHBondContact O-N 2.89Å; I733-S737 WeakPolarHBondContact O-CB 3.48Å; I733-S737 PolarHBondContact O-N 2.55Å; I733-V742 HydrophobicContact CG2-CG1 3.59Å |
| 734 | A | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -19.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V730 V731 H732 C746 I750 V779 R782 | V730-A734 WeakPolarHBondContact O-CB 3.46Å; V730-A734 PolarHBondContact O-N 3.42Å; V731-A734 PolarHBondContact O-N 3.45Å; H732-A734 VanDerWaalsContact C-N 3.3Å; H732-A734 PolarHBondContact O-N 3.41Å; A734-C746 HydrophobicContact CB-CB 3.9Å; A734-I750 HydrophobicContact CB-CD1 4.37Å; A734-V779 HydrophobicContact CB-CG1 3.91Å; A734-V779 HydrophobicContact CB-CG2 4Å; A734-R782 PolarHBondContact O-NH1 3.41Å |
| 735 | I | 92.7 | Very high | 92.4 | Very high | 45 Ų | 45 | 37 Ų | 37 | 23% | 0.231 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -97.5 | -30.4 | 177.2 | -64.3 | 162.6 | 0 | 0 | 0 | 111.9 | V731 H732 I733 Y775 V779 R782 | V731-I735 HydrophobicContact CG1-CD1 3.71Å; V731-I735 WeakPolarHBondContact O-CD1 3.44Å; V731-I735 VanDerWaalsContact O-CG1 3.25Å; V731-I735 WeakPolarHBondContact O-CG1 3.49Å; V731-I735 PolarHBondContact O-N 2.93Å; V731-I735 VanDerWaalsContact O-N 3.1Å; H732-I735 CarbonylContact O-C 3.48Å; H732-I735 WeakPolarHBondContact O-CA 3.49Å; H732-I735 PolarHBondContact O-N 3.44Å; I733-I735 PolarHBondContact O-N 2.93Å; I735-Y775 HydrophobicContact CD1-CD1 4.32Å; I735-V779 HydrophobicContact CD1-CG2 4.14Å; I735-V779 HydrophobicContact CG1-CG2 3.73Å; I735-R782 PolarHBondContact O-NE 3.37Å; I735-R782 PolarHBondContact O-NH1 2.9Å; I735-R782 PolarHBondContact O-NH2 2.97Å |
| 736 | T | 92.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 39% | 0.387 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -97.9 | -35.3 | -175.4 | 58 | 0 | 0 | 0 | 0 | 114.1 | H732 I733 | H732-T736 VanDerWaalsContact CE1-CG2 3.47Å; H732-T736 WeakPolarHBondContact CE1-CG2 3.48Å; H732-T736 PolarHBondContact O-N 3.14Å; H732-T736 PolarHBondContact O-OG1 2.88Å; H732-T736 VanDerWaalsContact O-OG1 3.06Å; I733-T736 PolarHBondContact O-N 2.89Å |
| 737 | S | 91.5 | Very high | 92.8 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | trans | -64 | 150 | -177 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | I733 D739 I743 R782 | I733-S737 WeakPolarHBondContact O-CB 3.48Å; I733-S737 PolarHBondContact O-N 2.55Å; S737-D739 PolarHBondContact OG-N 3.09Å; S737-I743 WeakPolarHBondContact O-CD1 3.34Å; S737-R782 PolarHBondContact O-NH1 3.33Å; S737-R782 VanDerWaalsContact O-NH1 3.08Å; S737-R782 PolarHBondContact O-NH2 3.38Å | ||
| 738 | T | 90.7 | Very high | 92.7 | Very high | 117 Ų | 117 | 32.2 Ų | 32.2 | 72% | 0.718 | 19% | 0.19 | S | C | * | . | trans | -110.3 | -7.6 | 171.3 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 739 | D | 91.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 30.3 Ų | 30.3 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | trans | -78.8 | 122.1 | -179.8 | -174.6 | -26.4 | 0 | 0 | 0 | 110.4 | S697 S737 V741 V742 I743 | S697-D739 WeakPolarHBondContact CB-OD2 3.39Å; S737-D739 PolarHBondContact OG-N 3.09Å; D739-V741 VanDerWaalsContact C-N 3.32Å; D739-V741 PolarHBondContact O-N 3.09Å; D739-V741 WeakPolarHBondContact OD1-CB 3.31Å; D739-V741 PolarHBondContact OD1-N 2.9Å; D739-V742 HydrophobicContact CB-CB 4.14Å; D739-V742 HydrophobicContact CB-CG2 4.05Å; D739-I743 WeakPolarHBondContact O-CB 3.34Å; D739-I743 WeakPolarHBondContact O-CD1 3.26Å; D739-I743 WeakPolarHBondContact O-CG1 3.35Å; D739-I743 PolarHBondContact O-N 3.46Å | ||
| 740 | S | 90.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 29.2 Ų | 29.2 | 34% | 0.336 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.2 | -34.4 | -179.3 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | S744 | S740-S744 WeakPolarHBondContact O-CB 3.49Å; S740-S744 PolarHBondContact O-N 2.83Å |
| 741 | V | 90.6 | Very high | 92.7 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.4 | -51.7 | -178.9 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | E701 D739 I743 S744 E745 | E701-V741 HydrophobicContact CG-CG1 4.42Å; E701-V741 VanDerWaalsContact OE2-CG1 3.31Å; E701-V741 WeakPolarHBondContact OE2-CG1 3.46Å; D739-V741 VanDerWaalsContact C-N 3.32Å; D739-V741 PolarHBondContact O-N 3.09Å; D739-V741 WeakPolarHBondContact OD1-CB 3.31Å; D739-V741 PolarHBondContact OD1-N 2.9Å; V741-I743 VanDerWaalsContact C-N 3.33Å; V741-I743 PolarHBondContact O-N 2.66Å; V741-S744 WeakPolarHBondContact O-CB 3.47Å; V741-S744 PolarHBondContact O-N 3.09Å; V741-S744 VanDerWaalsContact O-N 3.13Å; V741-E745 WeakPolarHBondContact O-CG 3.48Å; V741-E745 PolarHBondContact O-N 3.36Å |
| 742 | V | 92.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 177.7 | 177 | 0 | 0 | 0 | 0 | 111.6 | I700 L704 I733 D739 E745 C746 | I700-V742 HydrophobicContact CB-CG2 4.4Å; I700-V742 HydrophobicContact CG2-CG1 3.77Å; I700-V742 HydrophobicContact CG2-CG2 4.28Å; L704-V742 HydrophobicContact CD1-CG1 4.21Å; I733-V742 HydrophobicContact CG2-CG1 3.59Å; D739-V742 HydrophobicContact CB-CB 4.14Å; D739-V742 HydrophobicContact CB-CG2 4.05Å; V742-E745 PolarHBondContact O-N 2.79Å; V742-C746 WeakPolarHBondContact O-CB 3.36Å; V742-C746 PolarHBondContact O-N 3.18Å; V742-C746 PolarHBondContact O-SG 3.07Å; V742-C746 VanDerWaalsContact O-SG 3.33Å |
| 743 | I | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.8 | -71.7 | 167.1 | 0 | 0 | 0 | 111 | S737 D739 V741 C746 C747 L783 W792 | S737-I743 WeakPolarHBondContact O-CD1 3.34Å; D739-I743 WeakPolarHBondContact O-CB 3.34Å; D739-I743 WeakPolarHBondContact O-CD1 3.26Å; D739-I743 WeakPolarHBondContact O-CG1 3.35Å; D739-I743 PolarHBondContact O-N 3.46Å; V741-I743 VanDerWaalsContact C-N 3.33Å; V741-I743 PolarHBondContact O-N 2.66Å; I743-C746 PolarHBondContact O-N 2.97Å; I743-C747 PolarHBondContact O-N 3.47Å; I743-C747 PolarHBondContact O-SG 3.09Å; I743-L783 HydrophobicContact CG2-CD2 3.42Å; I743-L783 VanDerWaalsContact CG2-CD2 3.42Å; I743-W792 HydrophobicContact CD1-CD2 4.13Å; I743-W792 HydrophobicContact CD1-CH2 4.26Å; I743-W792 HydrophobicContact CD1-CZ2 3.63Å |
| 744 | S | 92.5 | Very high | 92.3 | Very high | 33 Ų | 33 | 25.1 Ų | 25.1 | 23% | 0.231 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -48.9 | 178.4 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | S740 V741 C746 C747 D748 | S740-S744 WeakPolarHBondContact O-CB 3.49Å; S740-S744 PolarHBondContact O-N 2.83Å; V741-S744 WeakPolarHBondContact O-CB 3.47Å; V741-S744 PolarHBondContact O-N 3.09Å; V741-S744 VanDerWaalsContact O-N 3.13Å; S744-C746 PolarHBondContact O-N 3.05Å; S744-C747 WeakPolarHBondContact O-CA 3.45Å; S744-C747 WeakPolarHBondContact O-CB 3.34Å; S744-C747 PolarHBondContact O-N 3.32Å; S744-D748 PolarHBondContact O-N 3.33Å |
| 745 | E | 92.6 | Very high | 92 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 179 | -68.3 | -65.2 | 156.8 | 0 | 0 | 112.4 | E701 L704 K705 V741 V742 C747 D748 V749 | E701-E745 HydrophobicContact CG-CG 4.05Å; L704-E745 HydrophobicContact CB-CB 3.88Å; L704-E745 HydrophobicContact CD1-CB 3.69Å; L704-E745 HydrophobicContact CG-CB 4.44Å; K705-E745 WeakPolarHBondContact CE-OE1 3.35Å; K705-E745 VanDerWaalsContact CG-OE2 3.3Å; K705-E745 WeakPolarHBondContact CG-OE2 3.47Å; K705-E745 IonicContact NZ-OE1 2.73Å; V741-E745 WeakPolarHBondContact O-CG 3.48Å; V741-E745 PolarHBondContact O-N 3.36Å; V742-E745 PolarHBondContact O-N 2.79Å; E745-C747 VanDerWaalsContact C-N 3.29Å; E745-C747 PolarHBondContact O-N 3.45Å; E745-D748 PolarHBondContact O-N 3.36Å; E745-V749 WeakPolarHBondContact O-CG2 3.49Å; E745-V749 PolarHBondContact O-N 2.9Å |
| 746 | C | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 171.5 | -77.4 | 0 | 0 | 0 | 0 | 111.7 | L704 V730 A734 V742 I743 S744 D748 V749 I750 | L704-C746 VanDerWaalsContact CD1-SG 3.53Å; V730-C746 HydrophobicContact CG1-CB 3.97Å; A734-C746 HydrophobicContact CB-CB 3.9Å; V742-C746 WeakPolarHBondContact O-CB 3.36Å; V742-C746 PolarHBondContact O-N 3.18Å; V742-C746 PolarHBondContact O-SG 3.07Å; V742-C746 VanDerWaalsContact O-SG 3.33Å; I743-C746 PolarHBondContact O-N 2.97Å; S744-C746 PolarHBondContact O-N 3.05Å; C746-D748 VanDerWaalsContact C-N 3.35Å; C746-V749 PolarHBondContact O-N 3.39Å; C746-I750 VanDerWaalsContact O-CG1 3.24Å; C746-I750 WeakPolarHBondContact O-CG1 3.5Å; C746-I750 PolarHBondContact O-N 3.1Å |
| 747 | C | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 176.4 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | I743 S744 E745 I750 R751 L783 P795 | I743-C747 PolarHBondContact O-N 3.47Å; I743-C747 PolarHBondContact O-SG 3.09Å; S744-C747 WeakPolarHBondContact O-CA 3.45Å; S744-C747 WeakPolarHBondContact O-CB 3.34Å; S744-C747 PolarHBondContact O-N 3.32Å; E745-C747 VanDerWaalsContact C-N 3.29Å; E745-C747 PolarHBondContact O-N 3.45Å; C747-I750 PolarHBondContact O-N 2.86Å; C747-R751 WeakPolarHBondContact O-CB 3.28Å; C747-R751 VanDerWaalsContact O-CG 3.26Å; C747-R751 WeakPolarHBondContact O-CG 3.27Å; C747-R751 PolarHBondContact O-N 3.14Å; C747-L783 WeakPolarHBondContact SG-CD1 3.47Å; C747-P795 HydrophobicContact CB-CB 3.81Å |
| 748 | D | 91.4 | Very high | 91.1 | Very high | 39 Ų | 39 | 22.2 Ų | 22.2 | 21% | 0.209 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 175.5 | -72 | -29.3 | 0 | 0 | 0 | 111.9 | S744 E745 C746 R751 C752 | S744-D748 PolarHBondContact O-N 3.33Å; E745-D748 PolarHBondContact O-N 3.36Å; C746-D748 VanDerWaalsContact C-N 3.35Å; D748-R751 VanDerWaalsContact O-CB 3.31Å; D748-R751 WeakPolarHBondContact O-CB 3.24Å; D748-R751 PolarHBondContact O-N 2.93Å; D748-R751 IonicContact OD1-NE 2.82Å; D748-C752 PolarHBondContact O-N 3.27Å; D748-C752 PolarHBondContact O-SG 3.44Å |
| 749 | V | 93.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 170.9 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | L704 F707 I711 V730 E745 C746 R751 C752 Y753 | L704-V749 HydrophobicContact CB-CG2 4.07Å; L704-V749 HydrophobicContact CD2-CG2 4.08Å; L704-V749 WeakPolarHBondContact O-CG2 3.38Å; F707-V749 HydrophobicContact CB-CG1 4.4Å; F707-V749 HydrophobicContact CB-CG2 4.29Å; I711-V749 HydrophobicContact CD1-CG1 3.57Å; V730-V749 HydrophobicContact CG1-CB 4.17Å; V730-V749 HydrophobicContact CG1-CG1 4Å; V730-V749 HydrophobicContact CG2-CG1 4.04Å; E745-V749 WeakPolarHBondContact O-CG2 3.49Å; E745-V749 PolarHBondContact O-N 2.9Å; C746-V749 PolarHBondContact O-N 3.39Å; V749-R751 VanDerWaalsContact C-N 3.3Å; V749-R751 PolarHBondContact O-N 2.87Å; V749-C752 WeakPolarHBondContact O-CB 3.14Å; V749-C752 PolarHBondContact O-N 3.47Å; V749-C752 VanDerWaalsContact O-N 3.16Å; V749-Y753 HydrophobicContact CG1-CD2 4.12Å; V749-Y753 HydrophobicContact CG1-CE2 3.8Å; V749-Y753 VanDerWaalsContact O-CD2 3.28Å; V749-Y753 WeakPolarHBondContact O-CD2 3.49Å; V749-Y753 PolarHBondContact O-N 3.41Å |
| 750 | I | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.7 | -67.6 | 165.1 | 0 | 0 | 0 | 110.7 | V730 V731 A734 C746 C747 C752 Y753 L754 I776 V779 L799 | V730-I750 HydrophobicContact CG1-CD1 4.41Å; V730-I750 HydrophobicContact CG1-CG1 4.02Å; V731-I750 HydrophobicContact CG2-CD1 4.37Å; A734-I750 HydrophobicContact CB-CD1 4.37Å; C746-I750 VanDerWaalsContact O-CG1 3.24Å; C746-I750 WeakPolarHBondContact O-CG1 3.5Å; C746-I750 PolarHBondContact O-N 3.1Å; C747-I750 PolarHBondContact O-N 2.86Å; I750-C752 VanDerWaalsContact C-N 3.32Å; I750-C752 PolarHBondContact O-N 2.93Å; I750-Y753 WeakPolarHBondContact O-CB 3.46Å; I750-Y753 PolarHBondContact O-N 3Å; I750-Y753 VanDerWaalsContact O-N 3.16Å; I750-L754 WeakPolarHBondContact O-CG 3.35Å; I750-L754 PolarHBondContact O-N 3.12Å; I750-I776 HydrophobicContact CG2-CB 4.5Å; I750-I776 HydrophobicContact CG2-CD1 3.81Å; I750-I776 HydrophobicContact CG2-CG1 3.76Å; I750-I776 HydrophobicContact CG2-CG2 4.05Å; I750-V779 HydrophobicContact CD1-CG1 4.38Å; I750-L799 HydrophobicContact CB-CD1 4.24Å; I750-L799 HydrophobicContact CG2-CD1 3.62Å |
| 751 | R | 92.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 172.7 | -84.4 | 168.8 | 59.3 | 86.7 | -2.4 | 112 | C747 D748 V749 Y753 L754 A755 K798 L799 Y801 A802 D1077 I1079 | C747-R751 WeakPolarHBondContact O-CB 3.28Å; C747-R751 VanDerWaalsContact O-CG 3.26Å; C747-R751 WeakPolarHBondContact O-CG 3.27Å; C747-R751 PolarHBondContact O-N 3.14Å; D748-R751 VanDerWaalsContact O-CB 3.31Å; D748-R751 WeakPolarHBondContact O-CB 3.24Å; D748-R751 PolarHBondContact O-N 2.93Å; D748-R751 IonicContact OD1-NE 2.82Å; V749-R751 VanDerWaalsContact C-N 3.3Å; V749-R751 PolarHBondContact O-N 2.87Å; R751-Y753 PolarHBondContact O-N 3.04Å; R751-L754 WeakPolarHBondContact O-CB 3.49Å; R751-L754 PolarHBondContact O-N 3.36Å; R751-A755 PolarHBondContact O-N 2.95Å; R751-K798 VanDerWaalsContact NH1-C 3.27Å; R751-K798 PolarHBondContact NH1-O 3.01Å; R751-L799 HydrophobicContact CG-CD1 4.08Å; R751-Y801 VanDerWaalsContact NH1-CE2 3.3Å; R751-Y801 PolarHBondContact NH1-OH 3.36Å; R751-Y801 PolarHBondContact NH2-OH 2.81Å; R751-A802 HydrophobicContact CG-CB 4Å; R751-D1077 IonicContact CZ-OD2 2.81Å; R751-D1077 IonicContact NH2-OD1 3.35Å; R751-D1077 IonicContact NH2-OD2 2.67Å; R751-D1077 PolarHBondContact NH2-OD2 3.02Å; R751-I1079 HydrophobicContact CB-CD1 3.47Å; R751-I1079 VanDerWaalsContact CB-CD1 3.47Å; R751-I1079 HydrophobicContact CG-CD1 3.69Å |
| 752 | C | 90.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 10% | 0.095 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 173.7 | -64.6 | 0 | 0 | 0 | 0 | 112 | I711 D748 V749 I750 L754 A755 A756 | I711-C752 HydrophobicContact CB-CB 4.05Å; I711-C752 HydrophobicContact CG2-CB 4.04Å; I711-C752 WeakPolarHBondContact O-CB 3.46Å; D748-C752 PolarHBondContact O-N 3.27Å; D748-C752 PolarHBondContact O-SG 3.44Å; V749-C752 WeakPolarHBondContact O-CB 3.14Å; V749-C752 PolarHBondContact O-N 3.47Å; V749-C752 VanDerWaalsContact O-N 3.16Å; I750-C752 VanDerWaalsContact C-N 3.32Å; I750-C752 PolarHBondContact O-N 2.93Å; C752-L754 VanDerWaalsContact C-N 3.31Å; C752-L754 PolarHBondContact O-N 3.11Å; C752-A755 PolarHBondContact O-N 3.34Å; C752-A756 WeakPolarHBondContact O-CB 3.49Å; C752-A756 PolarHBondContact O-N 3.2Å |
| 753 | Y | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 173.6 | -81.6 | -75.1 | 0 | 0 | 0 | 112.6 | I711 I718 L722 F727 V749 I750 R751 G757 I761 | I711-Y753 HydrophobicContact CD1-CD2 3.83Å; I711-Y753 HydrophobicContact CD1-CE1 4.08Å; I711-Y753 HydrophobicContact CD1-CE2 3.25Å; I711-Y753 HydrophobicContact CD1-CG 4.45Å; I711-Y753 HydrophobicContact CG1-CE1 4.16Å; I711-Y753 HydrophobicContact CG1-CE2 4.21Å; I711-Y753 HydrophobicContact CG2-CD1 3.77Å; I711-Y753 HydrophobicContact CG2-CD2 4.27Å; I711-Y753 HydrophobicContact CG2-CE1 4.06Å; I711-Y753 HydrophobicContact CG2-CG 3.85Å; I718-Y753 HydrophobicContact CD1-CD1 3.64Å; I718-Y753 HydrophobicContact CD1-CE1 4.28Å; I718-Y753 HydrophobicContact CG2-CD1 4.45Å; I718-Y753 HydrophobicContact CG2-CE1 4.03Å; L722-Y753 PolarHBondContact O-OH 3.27Å; F727-Y753 HydrophobicContact CB-CE1 4.12Å; F727-Y753 HydrophobicContact CB-CE2 4.1Å; F727-Y753 HydrophobicContact CD2-CD1 4.39Å; F727-Y753 AromaticContact CD2-CD2 3.89Å; F727-Y753 HydrophobicContact CD2-CD2 3.89Å; F727-Y753 HydrophobicContact CD2-CE2 4.05Å; F727-Y753 HydrophobicContact CD2-CG 4.09Å; F727-Y753 PolarHBondContact N-OH 3.45Å; V749-Y753 HydrophobicContact CG1-CD2 4.12Å; V749-Y753 HydrophobicContact CG1-CE2 3.8Å; V749-Y753 VanDerWaalsContact O-CD2 3.28Å; V749-Y753 WeakPolarHBondContact O-CD2 3.49Å; V749-Y753 PolarHBondContact O-N 3.41Å; I750-Y753 WeakPolarHBondContact O-CB 3.46Å; I750-Y753 PolarHBondContact O-N 3Å; I750-Y753 VanDerWaalsContact O-N 3.16Å; R751-Y753 PolarHBondContact O-N 3.04Å; Y753-G757 CarbonylContact O-C 3.49Å; Y753-G757 PolarHBondContact O-N 3Å; Y753-I761 HydrophobicContact CD1-CD1 3.92Å; Y753-I761 HydrophobicContact CG-CD1 4.28Å |
| 754 | L | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.2 | -65.1 | -179.3 | 0 | 0 | 0 | 111.9 | I750 R751 C752 S758 I776 L799 A802 I803 H806 F807 | I750-L754 WeakPolarHBondContact O-CG 3.35Å; I750-L754 PolarHBondContact O-N 3.12Å; R751-L754 WeakPolarHBondContact O-CB 3.49Å; R751-L754 PolarHBondContact O-N 3.36Å; C752-L754 VanDerWaalsContact C-N 3.31Å; C752-L754 PolarHBondContact O-N 3.11Å; L754-S758 WeakPolarHBondContact O-CB 3.35Å; L754-S758 PolarHBondContact O-N 3.34Å; L754-I776 HydrophobicContact CD2-CD1 3.76Å; L754-I776 HydrophobicContact CG-CD1 4.39Å; L754-L799 HydrophobicContact CD1-CD1 4.12Å; L754-A802 HydrophobicContact CD1-CB 3.99Å; L754-I803 HydrophobicContact CD1-CG1 3.96Å; L754-H806 PolarHBondContact O-ND1 2.81Å; L754-F807 HydrophobicContact CD2-CE2 3.43Å; L754-F807 VanDerWaalsContact CD2-CE2 3.43Å; L754-F807 HydrophobicContact CD2-CZ 3.73Å |
| 755 | A | 87.1 | Confident | 90.2 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 12% | 0.124 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R751 C752 P1078 I1079 | R751-A755 PolarHBondContact O-N 2.95Å; C752-A755 PolarHBondContact O-N 3.34Å; A755-P1078 HydrophobicContact CB-CB 4.28Å; A755-I1079 HydrophobicContact CB-CG1 3.87Å |
| 756 | A | 86.2 | Confident | 90.1 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -83.6 | -30.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I711 P713 I718 C752 | I711-A756 HydrophobicContact CG2-CB 4.21Å; P713-A756 HydrophobicContact CG-CB 4.37Å; I718-A756 HydrophobicContact CD1-CB 3.94Å; I718-A756 HydrophobicContact CG1-CB 4.03Å; C752-A756 WeakPolarHBondContact O-CB 3.49Å; C752-A756 PolarHBondContact O-N 3.2Å |
| 757 | G | 84.7 | Confident | 89.6 | Confident | 6 Ų | 6 | 38 Ų | 38 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -163.9 | 47.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y753 S759 Q760 I761 | Y753-G757 CarbonylContact O-C 3.49Å; Y753-G757 PolarHBondContact O-N 3Å; G757-S759 PolarHBondContact O-N 3.43Å; G757-S759 VanDerWaalsContact O-N 3.12Å; G757-Q760 WeakPolarHBondContact O-CB 3.46Å; G757-Q760 PolarHBondContact O-N 3.45Å; G757-I761 PolarHBondContact O-N 2.9Å |
| 758 | S | 86.7 | Confident | 89.3 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 22% | 0.217 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.9 | -35.3 | 179 | 63.2 | 0 | 0 | 0 | 0 | 114 | L754 I761 L762 | L754-S758 WeakPolarHBondContact O-CB 3.35Å; L754-S758 PolarHBondContact O-N 3.34Å; S758-I761 PolarHBondContact O-N 3.15Å; S758-L762 WeakPolarHBondContact O-CB 3.32Å; S758-L762 PolarHBondContact O-N 3.26Å |
| 759 | S | 86.6 | Confident | 89 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 175.7 | 59 | 0 | 0 | 0 | 0 | 112.7 | G757 L762 E763 | G757-S759 PolarHBondContact O-N 3.43Å; G757-S759 VanDerWaalsContact O-N 3.12Å; S759-L762 PolarHBondContact O-N 3.47Å; S759-E763 WeakPolarHBondContact O-CG 3.31Å; S759-E763 PolarHBondContact O-N 2.97Å; S759-E763 VanDerWaalsContact O-N 3.12Å |
| 760 | Q | 89.8 | Confident | 88.6 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 179.3 | -63.3 | 178.6 | -100.9 | 0 | 0 | 111.4 | I718 I723 G757 L762 E763 W764 | I718-Q760 PolarHBondContact O-NE2 3.46Å; I723-Q760 HydrophobicContact CD1-CB 3.76Å; I723-Q760 HydrophobicContact CD1-CG 4.36Å; G757-Q760 WeakPolarHBondContact O-CB 3.46Å; G757-Q760 PolarHBondContact O-N 3.45Å; Q760-L762 VanDerWaalsContact C-N 3.32Å; Q760-E763 PolarHBondContact O-N 2.9Å; Q760-W764 WeakPolarHBondContact O-CB 3.22Å; Q760-W764 PolarHBondContact O-N 2.92Å |
| 761 | I | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 173.5 | -62.6 | -57.2 | 0 | 0 | 0 | 111.7 | F727 Y753 G757 S758 E763 W764 V773 I776 | F727-I761 HydrophobicContact CD2-CD1 3.89Å; F727-I761 HydrophobicContact CE2-CD1 3.91Å; F727-I761 HydrophobicContact CG-CD1 4.21Å; F727-I761 HydrophobicContact CZ-CD1 4.24Å; F727-I761 HydrophobicContact CZ-CG2 4.24Å; Y753-I761 HydrophobicContact CD1-CD1 3.92Å; Y753-I761 HydrophobicContact CG-CD1 4.28Å; G757-I761 PolarHBondContact O-N 2.9Å; S758-I761 PolarHBondContact O-N 3.15Å; I761-E763 VanDerWaalsContact C-N 3.33Å; I761-W764 PolarHBondContact O-N 2.99Å; I761-V773 HydrophobicContact CG2-CG2 4.44Å; I761-I776 HydrophobicContact CG2-CD1 3.74Å |
| 762 | L | 86.6 | Confident | 88.1 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.6 | -32.2 | 176.2 | -169.2 | 138.6 | 0 | 0 | 0 | 112.6 | S758 S759 Q760 V773 F807 Q811 | S758-L762 WeakPolarHBondContact O-CB 3.32Å; S758-L762 PolarHBondContact O-N 3.26Å; S759-L762 PolarHBondContact O-N 3.47Å; Q760-L762 VanDerWaalsContact C-N 3.32Å; L762-V773 HydrophobicContact CB-CG2 4.34Å; L762-V773 HydrophobicContact CG-CG2 4.49Å; L762-F807 HydrophobicContact CB-CE1 4.31Å; L762-F807 HydrophobicContact CD1-CD1 4.05Å; L762-F807 HydrophobicContact CD1-CE1 3.96Å; L762-Q811 HydrophobicContact CD1-CB 4.06Å; L762-Q811 HydrophobicContact CD1-CG 3.82Å |
| 763 | E | 87.5 | Confident | 88 | Confident | 143 Ų | 143 | 52.7 Ų | 52.7 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -84 | -20 | 176.7 | -69.9 | 177.6 | -176.9 | 0 | 0 | 113.7 | S759 Q760 I761 H765 | S759-E763 WeakPolarHBondContact O-CG 3.31Å; S759-E763 PolarHBondContact O-N 2.97Å; S759-E763 VanDerWaalsContact O-N 3.12Å; Q760-E763 PolarHBondContact O-N 2.9Å; I761-E763 VanDerWaalsContact C-N 3.33Å; E763-H765 PolarHBondContact O-CE1 3.27Å; E763-H765 PolarHBondContact O-ND1 2.87Å |
| 764 | W | 91.9 | Very high | 87.9 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 13% | 0.125 | 31% | 0.305 | C | S | . | . | trans | -71.1 | 135.9 | 180 | -177.7 | 87.4 | 0 | 0 | 0 | 111.8 | I723 F727 P728 Q760 I761 D766 N771 G772 Y775 | I723-W764 HydrophobicContact CG2-CB 4.29Å; I723-W764 HydrophobicContact CG2-CG 3.97Å; F727-W764 HydrophobicContact CD1-CD2 4.32Å; F727-W764 HydrophobicContact CD1-CE3 4.34Å; F727-W764 HydrophobicContact CD1-CZ3 4.47Å; F727-W764 HydrophobicContact CE1-CD2 4.31Å; F727-W764 AromaticContact CE1-CE3 3.91Å; F727-W764 HydrophobicContact CE1-CE3 3.91Å; F727-W764 HydrophobicContact CE1-CH2 4.48Å; F727-W764 AromaticContact CE1-CZ3 4Å; F727-W764 HydrophobicContact CE1-CZ3 4Å; P728-W764 HydrophobicContact CB-CZ2 4.43Å; P728-W764 HydrophobicContact CG-CH2 4.16Å; P728-W764 HydrophobicContact CG-CZ2 3.54Å; Q760-W764 WeakPolarHBondContact O-CB 3.22Å; Q760-W764 PolarHBondContact O-N 2.92Å; I761-W764 PolarHBondContact O-N 2.99Å; W764-D766 HydrophobicContact CH2-CB 3.82Å; W764-D766 HydrophobicContact CZ2-CB 4.34Å; W764-D766 HydrophobicContact CZ3-CB 4.39Å; W764-N771 WeakPolarHBondContact O-CA 3.46Å; W764-G772 VanDerWaalsContact CE3-CA 3.48Å; W764-G772 PolarHBondContact O-N 3.43Å; W764-Y775 HydrophobicContact CH2-CD2 4.31Å; W764-Y775 HydrophobicContact CH2-CE2 4.1Å; W764-Y775 AromaticContact CZ3-CD2 3.74Å; W764-Y775 HydrophobicContact CZ3-CD2 3.74Å; W764-Y775 AromaticContact CZ3-CE2 3.86Å; W764-Y775 HydrophobicContact CZ3-CE2 3.86Å | ||
| 765 | H | 90.5 | Very high | 88 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 47% | 0.468 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -136 | 146.9 | 174.5 | -60.3 | 74.3 | 0 | 0 | 0 | 109.4 | E763 G769 N770 | E763-H765 PolarHBondContact O-CE1 3.27Å; E763-H765 PolarHBondContact O-ND1 2.87Å; H765-G769 PolarHBondContact CD2-O 2.88Å; H765-N770 CarbonylContact C-O 3.52Å; H765-N770 WeakPolarHBondContact CA-O 3.43Å |
| 766 | D | 89.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | trans | -75.5 | -179 | 168.5 | 72.8 | -2.5 | 0 | 0 | 0 | 111.7 | W764 E768 G769 N770 Y775 | W764-D766 HydrophobicContact CH2-CB 3.82Å; W764-D766 HydrophobicContact CZ2-CB 4.34Å; W764-D766 HydrophobicContact CZ3-CB 4.39Å; D766-E768 PolarHBondContact O-N 3.42Å; D766-E768 VanDerWaalsContact OD1-C 3.3Å; D766-E768 WeakPolarHBondContact OD1-CA 3.45Å; D766-E768 PolarHBondContact OD1-N 3.26Å; D766-G769 PolarHBondContact O-N 2.9Å; D766-G769 PolarHBondContact OD1-N 3Å; D766-N770 PolarHBondContact N-O 3.5Å; D766-N770 PolarHBondContact OD1-N 3.2Å; D766-N770 WeakPolarHBondContact OD2-CB 3.33Å; D766-N770 PolarHBondContact OD2-ND2 3.46Å; D766-Y775 HydrophobicContact CB-CE2 4.39Å; D766-Y775 PolarHBondContact OD2-OH 3.19Å | ||
| 767 | D | 85.8 | Confident | 88.6 | Confident | 182 Ų | 182 | 56.8 Ų | 56.8 | 97% | 0.973 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.6 | 177.3 | -68.5 | -30.1 | 0 | 0 | 0 | 113.3 | ||
| 768 | E | 87.4 | Confident | 89 | Confident | 167 Ų | 167 | 61.5 Ų | 61.5 | 78% | 0.78 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10.1 | 178 | -58.4 | -169.8 | 164.6 | 0 | 0 | 113 | D766 | D766-E768 PolarHBondContact O-N 3.42Å; D766-E768 VanDerWaalsContact OD1-C 3.3Å; D766-E768 WeakPolarHBondContact OD1-CA 3.45Å; D766-E768 PolarHBondContact OD1-N 3.26Å |
| 769 | G | 84.5 | Confident | 89.3 | Confident | 49 Ų | 49 | 60 Ų | 60 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | trans | 88.3 | 12.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H765 D766 | H765-G769 PolarHBondContact CD2-O 2.88Å; D766-G769 PolarHBondContact O-N 2.9Å; D766-G769 PolarHBondContact OD1-N 3Å | ||
| 770 | N | 86.3 | Confident | 89.7 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | trans | -72.9 | 131.1 | 170.9 | -58.2 | -54.7 | 0 | 0 | 0 | 109.6 | H765 D766 Y775 | H765-N770 CarbonylContact C-O 3.52Å; H765-N770 WeakPolarHBondContact CA-O 3.43Å; D766-N770 PolarHBondContact N-O 3.5Å; D766-N770 PolarHBondContact OD1-N 3.2Å; D766-N770 WeakPolarHBondContact OD2-CB 3.33Å; D766-N770 PolarHBondContact OD2-ND2 3.46Å; N770-Y775 HydrophobicContact CB-CD2 4.47Å; N770-Y775 HydrophobicContact CB-CE2 3.74Å | ||
| 771 | N | 86.3 | Confident | 89.9 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 35% | 0.353 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -83.4 | 156.4 | -179.1 | 67 | 2.4 | 0 | 0 | 0 | 112.6 | W764 V773 G774 Y775 | W764-N771 WeakPolarHBondContact O-CA 3.46Å; N771-V773 VanDerWaalsContact C-N 3.29Å; N771-V773 PolarHBondContact O-N 3.23Å; N771-G774 PolarHBondContact O-N 3.23Å; N771-G774 WeakPolarHBondContact OD1-CA 3.29Å; N771-G774 PolarHBondContact OD1-N 3.3Å; N771-Y775 PolarHBondContact O-N 3.1Å |
| 772 | G | 88.9 | Confident | 90 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -36.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W764 G774 Y775 I776 | W764-G772 VanDerWaalsContact CE3-CA 3.48Å; W764-G772 PolarHBondContact O-N 3.43Å; G772-G774 VanDerWaalsContact C-N 3.29Å; G772-G774 PolarHBondContact O-N 2.98Å; G772-Y775 WeakPolarHBondContact O-CB 3.34Å; G772-Y775 PolarHBondContact O-N 3.25Å; G772-I776 WeakPolarHBondContact O-CG1 3.26Å; G772-I776 PolarHBondContact O-N 3.44Å; G772-I776 VanDerWaalsContact O-N 3.1Å |
| 773 | V | 89.1 | Confident | 90.4 | Very high | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | I761 L762 N771 Y775 I776 L777 F807 L812 | I761-V773 HydrophobicContact CG2-CG2 4.44Å; L762-V773 HydrophobicContact CB-CG2 4.34Å; L762-V773 HydrophobicContact CG-CG2 4.49Å; N771-V773 VanDerWaalsContact C-N 3.29Å; N771-V773 PolarHBondContact O-N 3.23Å; V773-Y775 VanDerWaalsContact C-N 3.33Å; V773-Y775 PolarHBondContact O-N 2.72Å; V773-I776 PolarHBondContact O-N 3.42Å; V773-L777 HydrophobicContact CG1-CD1 4.03Å; V773-L777 HydrophobicContact CG1-CG 4.38Å; V773-L777 WeakPolarHBondContact O-CB 3.43Å; V773-L777 VanDerWaalsContact O-CG 3.31Å; V773-L777 WeakPolarHBondContact O-CG 3.22Å; V773-L777 PolarHBondContact O-N 3.48Å; V773-F807 HydrophobicContact CG1-CE2 4.44Å; V773-F807 HydrophobicContact CG2-CE1 3.9Å; V773-F807 HydrophobicContact CG2-CE2 4.21Å; V773-F807 HydrophobicContact CG2-CZ 3.64Å; V773-L812 HydrophobicContact CG1-CD2 3.98Å |
| 774 | G | 89.7 | Confident | 90.7 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N771 G772 L777 H778 | N771-G774 PolarHBondContact O-N 3.23Å; N771-G774 WeakPolarHBondContact OD1-CA 3.29Å; N771-G774 PolarHBondContact OD1-N 3.3Å; G772-G774 VanDerWaalsContact C-N 3.29Å; G772-G774 PolarHBondContact O-N 2.98Å; G774-L777 PolarHBondContact O-N 3.35Å; G774-H778 WeakPolarHBondContact O-CB 3.47Å; G774-H778 PolarHBondContact O-N 3.43Å |
| 775 | Y | 92.2 | Very high | 90.7 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 174.1 | -82.1 | -73.2 | 0 | 0 | 0 | 113.1 | V731 I735 W764 D766 N770 N771 G772 V773 L777 H778 V779 | V731-Y775 HydrophobicContact CG1-CD1 3.59Å; V731-Y775 HydrophobicContact CG1-CE1 4.49Å; V731-Y775 HydrophobicContact CG1-CG 3.89Å; I735-Y775 HydrophobicContact CD1-CD1 4.32Å; W764-Y775 HydrophobicContact CH2-CD2 4.31Å; W764-Y775 HydrophobicContact CH2-CE2 4.1Å; W764-Y775 AromaticContact CZ3-CD2 3.74Å; W764-Y775 HydrophobicContact CZ3-CD2 3.74Å; W764-Y775 AromaticContact CZ3-CE2 3.86Å; W764-Y775 HydrophobicContact CZ3-CE2 3.86Å; D766-Y775 HydrophobicContact CB-CE2 4.39Å; D766-Y775 PolarHBondContact OD2-OH 3.19Å; N770-Y775 HydrophobicContact CB-CD2 4.47Å; N770-Y775 HydrophobicContact CB-CE2 3.74Å; N771-Y775 PolarHBondContact O-N 3.1Å; G772-Y775 WeakPolarHBondContact O-CB 3.34Å; G772-Y775 PolarHBondContact O-N 3.25Å; V773-Y775 VanDerWaalsContact C-N 3.33Å; V773-Y775 PolarHBondContact O-N 2.72Å; Y775-L777 VanDerWaalsContact C-N 3.29Å; Y775-L777 PolarHBondContact O-N 2.86Å; Y775-H778 WeakPolarHBondContact O-CB 3.29Å; Y775-H778 PolarHBondContact O-N 3.44Å; Y775-H778 VanDerWaalsContact O-N 3.09Å; Y775-V779 WeakPolarHBondContact O-CG2 3.48Å; Y775-V779 PolarHBondContact O-N 2.9Å |
| 776 | I | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.8 | -65.5 | 176 | 0 | 0 | 0 | 110.5 | F727 I750 L754 I761 G772 V773 H778 V779 T780 L799 I803 | F727-I776 HydrophobicContact CE2-CD1 4.05Å; F727-I776 HydrophobicContact CE2-CG1 4.15Å; F727-I776 HydrophobicContact CZ-CD1 4.16Å; F727-I776 HydrophobicContact CZ-CG1 4.05Å; I750-I776 HydrophobicContact CG2-CB 4.5Å; I750-I776 HydrophobicContact CG2-CD1 3.81Å; I750-I776 HydrophobicContact CG2-CG1 3.76Å; I750-I776 HydrophobicContact CG2-CG2 4.05Å; L754-I776 HydrophobicContact CD2-CD1 3.76Å; L754-I776 HydrophobicContact CG-CD1 4.39Å; I761-I776 HydrophobicContact CG2-CD1 3.74Å; G772-I776 WeakPolarHBondContact O-CG1 3.26Å; G772-I776 PolarHBondContact O-N 3.44Å; G772-I776 VanDerWaalsContact O-N 3.1Å; V773-I776 PolarHBondContact O-N 3.42Å; I776-H778 VanDerWaalsContact C-N 3.31Å; I776-H778 PolarHBondContact O-N 3.48Å; I776-V779 PolarHBondContact O-N 3.18Å; I776-T780 WeakPolarHBondContact O-CB 3.24Å; I776-T780 PolarHBondContact O-N 2.95Å; I776-T780 PolarHBondContact O-OG1 3.44Å; I776-L799 HydrophobicContact CG2-CD1 4.15Å; I776-L799 HydrophobicContact CG2-CD2 4.4Å; I776-L799 HydrophobicContact CG2-CG 4.41Å; I776-I803 HydrophobicContact CG2-CD1 3.72Å; I776-I803 HydrophobicContact CG2-CG1 3.98Å |
| 777 | L | 92 | Very high | 90.5 | Very high | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -35.9 | 174.4 | -73.5 | 169.5 | 0 | 0 | 0 | 112.1 | V773 G774 Y775 T780 S781 I803 L812 N815 | V773-L777 HydrophobicContact CG1-CD1 4.03Å; V773-L777 HydrophobicContact CG1-CG 4.38Å; V773-L777 WeakPolarHBondContact O-CB 3.43Å; V773-L777 VanDerWaalsContact O-CG 3.31Å; V773-L777 WeakPolarHBondContact O-CG 3.22Å; V773-L777 PolarHBondContact O-N 3.48Å; G774-L777 PolarHBondContact O-N 3.35Å; Y775-L777 VanDerWaalsContact C-N 3.29Å; Y775-L777 PolarHBondContact O-N 2.86Å; L777-T780 PolarHBondContact O-N 3.41Å; L777-S781 VanDerWaalsContact O-CB 3.29Å; L777-S781 WeakPolarHBondContact O-CB 3.35Å; L777-S781 PolarHBondContact O-N 3.13Å; L777-I803 HydrophobicContact CD2-CD1 4.39Å; L777-L812 HydrophobicContact CD1-CD2 4.24Å; L777-L812 HydrophobicContact CD2-CD2 4.42Å; L777-N815 HydrophobicContact CD1-CB 3.7Å; L777-N815 WeakPolarHBondContact CD1-ND2 3.27Å; L777-N815 HydrophobicContact CD2-CB 4.48Å |
| 778 | H | 92.6 | Very high | 90.7 | Very high | 105 Ų | 105 | 46.3 Ų | 46.3 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -47 | 175.6 | -173.5 | 62.1 | 0 | 0 | 0 | 112 | G774 Y775 I776 T780 S781 R782 | G774-H778 WeakPolarHBondContact O-CB 3.47Å; G774-H778 PolarHBondContact O-N 3.43Å; Y775-H778 WeakPolarHBondContact O-CB 3.29Å; Y775-H778 PolarHBondContact O-N 3.44Å; Y775-H778 VanDerWaalsContact O-N 3.09Å; I776-H778 VanDerWaalsContact C-N 3.31Å; I776-H778 PolarHBondContact O-N 3.48Å; H778-T780 VanDerWaalsContact C-N 3.34Å; H778-T780 PolarHBondContact O-N 3.07Å; H778-S781 PolarHBondContact O-N 3.37Å; H778-R782 PolarHBondContact O-N 3.34Å |
| 779 | V | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.1 | -51.7 | 172 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | V731 A734 I735 I750 Y775 I776 S781 R782 L783 L799 | V731-V779 HydrophobicContact CG1-CG2 4.3Å; A734-V779 HydrophobicContact CB-CG1 3.91Å; A734-V779 HydrophobicContact CB-CG2 4Å; I735-V779 HydrophobicContact CD1-CG2 4.14Å; I735-V779 HydrophobicContact CG1-CG2 3.73Å; I750-V779 HydrophobicContact CD1-CG1 4.38Å; Y775-V779 WeakPolarHBondContact O-CG2 3.48Å; Y775-V779 PolarHBondContact O-N 2.9Å; I776-V779 PolarHBondContact O-N 3.18Å; V779-S781 VanDerWaalsContact C-N 3.33Å; V779-S781 PolarHBondContact O-N 3.38Å; V779-R782 WeakPolarHBondContact O-CB 3.45Å; V779-R782 PolarHBondContact O-N 3.24Å; V779-R782 VanDerWaalsContact O-N 3.11Å; V779-L783 HydrophobicContact CG1-CD1 3.88Å; V779-L783 HydrophobicContact CG1-CG 4.42Å; V779-L783 VanDerWaalsContact O-CG 3.31Å; V779-L783 WeakPolarHBondContact O-CG 3.32Å; V779-L783 PolarHBondContact O-N 3.39Å; V779-L799 HydrophobicContact CG1-CD2 4.12Å |
| 780 | T | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | -179.3 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | I776 L777 H778 R782 L783 L784 L799 A800 I803 L819 | I776-T780 WeakPolarHBondContact O-CB 3.24Å; I776-T780 PolarHBondContact O-N 2.95Å; I776-T780 PolarHBondContact O-OG1 3.44Å; L777-T780 PolarHBondContact O-N 3.41Å; H778-T780 VanDerWaalsContact C-N 3.34Å; H778-T780 PolarHBondContact O-N 3.07Å; T780-R782 VanDerWaalsContact C-N 3.34Å; T780-R782 PolarHBondContact O-N 2.97Å; T780-L783 PolarHBondContact O-N 3.45Å; T780-L784 HydrophobicContact CG2-CD1 3.81Å; T780-L784 HydrophobicContact CG2-CG 4.27Å; T780-L784 WeakPolarHBondContact O-CB 3.36Å; T780-L784 WeakPolarHBondContact O-CG 3.48Å; T780-L784 PolarHBondContact O-N 3Å; T780-L799 VanDerWaalsContact OG1-CD2 3.25Å; T780-L799 WeakPolarHBondContact OG1-CD2 3.5Å; T780-A800 HydrophobicContact CG2-CB 4.2Å; T780-I803 HydrophobicContact CG2-CD1 4.4Å; T780-I803 WeakPolarHBondContact OG1-CD1 3.17Å; T780-L819 HydrophobicContact CG2-CD1 3.5Å; T780-L819 VanDerWaalsContact CG2-CD1 3.5Å |
| 781 | S | 93.2 | Very high | 91 | Very high | 69 Ų | 69 | 43 Ų | 43 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64 | -36.3 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | L777 H778 V779 D785 | L777-S781 VanDerWaalsContact O-CB 3.29Å; L777-S781 WeakPolarHBondContact O-CB 3.35Å; L777-S781 PolarHBondContact O-N 3.13Å; H778-S781 PolarHBondContact O-N 3.37Å; V779-S781 VanDerWaalsContact C-N 3.33Å; V779-S781 PolarHBondContact O-N 3.38Å; S781-D785 PolarHBondContact O-N 3.35Å |
| 782 | R | 94 | Very high | 91.3 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 18% | 0.181 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 174 | 179.9 | -171.3 | -178.3 | -143.6 | 1.6 | 110.4 | A734 I735 S737 H778 V779 T780 L784 D785 N788 W792 | A734-R782 PolarHBondContact O-NH1 3.41Å; I735-R782 PolarHBondContact O-NE 3.37Å; I735-R782 PolarHBondContact O-NH1 2.9Å; I735-R782 PolarHBondContact O-NH2 2.97Å; S737-R782 PolarHBondContact O-NH1 3.33Å; S737-R782 VanDerWaalsContact O-NH1 3.08Å; S737-R782 PolarHBondContact O-NH2 3.38Å; H778-R782 PolarHBondContact O-N 3.34Å; V779-R782 WeakPolarHBondContact O-CB 3.45Å; V779-R782 PolarHBondContact O-N 3.24Å; V779-R782 VanDerWaalsContact O-N 3.11Å; T780-R782 VanDerWaalsContact C-N 3.34Å; T780-R782 PolarHBondContact O-N 2.97Å; R782-L784 VanDerWaalsContact C-N 3.31Å; R782-L784 PolarHBondContact O-N 2.88Å; R782-D785 WeakPolarHBondContact O-CB 3.38Å; R782-D785 PolarHBondContact O-N 2.86Å; R782-N788 PolarHBondContact O-ND2 2.95Å; R782-W792 HydrophobicContact CG-CZ3 4.45Å |
| 783 | L | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.6 | -29.5 | -178.2 | -56.9 | 169.7 | 0 | 0 | 0 | 112.8 | I743 C747 V779 T780 D785 W792 A796 | I743-L783 HydrophobicContact CG2-CD2 3.42Å; I743-L783 VanDerWaalsContact CG2-CD2 3.42Å; C747-L783 WeakPolarHBondContact SG-CD1 3.47Å; V779-L783 HydrophobicContact CG1-CD1 3.88Å; V779-L783 HydrophobicContact CG1-CG 4.42Å; V779-L783 VanDerWaalsContact O-CG 3.31Å; V779-L783 WeakPolarHBondContact O-CG 3.32Å; V779-L783 PolarHBondContact O-N 3.39Å; T780-L783 PolarHBondContact O-N 3.45Å; L783-D785 VanDerWaalsContact C-N 3.34Å; L783-W792 HydrophobicContact CB-CB 4.48Å; L783-W792 HydrophobicContact CD2-CB 3.91Å; L783-W792 HydrophobicContact CD2-CD2 4.16Å; L783-W792 HydrophobicContact CD2-CE3 3.98Å; L783-W792 HydrophobicContact CD2-CG 4.16Å; L783-A796 HydrophobicContact CB-CB 3.58Å |
| 784 | L | 93.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.8 | 174.6 | -69.6 | 175.7 | 0 | 0 | 0 | 113.9 | T780 R782 P786 A796 L819 V823 R826 L857 | T780-L784 HydrophobicContact CG2-CD1 3.81Å; T780-L784 HydrophobicContact CG2-CG 4.27Å; T780-L784 WeakPolarHBondContact O-CB 3.36Å; T780-L784 WeakPolarHBondContact O-CG 3.48Å; T780-L784 PolarHBondContact O-N 3Å; R782-L784 VanDerWaalsContact C-N 3.31Å; R782-L784 PolarHBondContact O-N 2.88Å; L784-P786 VanDerWaalsContact O-CD 3.24Å; L784-P786 WeakPolarHBondContact O-CD 3.28Å; L784-A796 HydrophobicContact CD2-CB 3.67Å; L784-A796 HydrophobicContact CG-CB 4.02Å; L784-L819 HydrophobicContact CD1-CD1 3.9Å; L784-V823 HydrophobicContact CD1-CG2 3.74Å; L784-V823 HydrophobicContact CD2-CG2 3.97Å; L784-R826 HydrophobicContact CD2-CB 4.23Å; L784-L857 HydrophobicContact CD2-CD2 3.49Å; L784-L857 VanDerWaalsContact CD2-CD2 3.49Å |
| 785 | D | 91.9 | Very high | 91.6 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | trans | -64.1 | 120.4 | 177 | -171.9 | -29.7 | 0 | 0 | 0 | 110 | S781 R782 L783 S787 N788 R826 | S781-D785 PolarHBondContact O-N 3.35Å; R782-D785 WeakPolarHBondContact O-CB 3.38Å; R782-D785 PolarHBondContact O-N 2.86Å; L783-D785 VanDerWaalsContact C-N 3.34Å; D785-S787 PolarHBondContact O-N 3.34Å; D785-S787 WeakPolarHBondContact OD1-CB 3.26Å; D785-S787 PolarHBondContact OD1-N 2.93Å; D785-S787 PolarHBondContact OD1-OG 3.45Å; D785-S787 PolarHBondContact OD2-OG 2.76Å; D785-N788 PolarHBondContact O-N 3.34Å; D785-N788 VanDerWaalsContact O-N 3.15Å; D785-R826 PolarHBondContact O-NH1 3.31Å | ||
| 786 | P | 87 | Confident | 91.7 | Very high | 58 Ų | 58 | 37.4 Ų | 37.4 | 38% | 0.377 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -17.5 | 179.4 | -27.1 | 37.4 | 0 | 0 | 0 | 115.7 | L784 N788 R826 T829 | L784-P786 VanDerWaalsContact O-CD 3.24Å; L784-P786 WeakPolarHBondContact O-CD 3.28Å; P786-N788 VanDerWaalsContact C-N 3.34Å; P786-R826 PolarHBondContact O-NH1 3.03Å; P786-T829 HydrophobicContact CB-CG2 3.66Å; P786-T829 HydrophobicContact CG-CG2 4.02Å |
| 787 | S | 89.3 | Confident | 91.7 | Very high | 93 Ų | 93 | 37.4 Ų | 37.4 | 65% | 0.65 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -15.4 | 179 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | D785 | D785-S787 PolarHBondContact O-N 3.34Å; D785-S787 WeakPolarHBondContact OD1-CB 3.26Å; D785-S787 PolarHBondContact OD1-N 2.93Å; D785-S787 PolarHBondContact OD1-OG 3.45Å; D785-S787 PolarHBondContact OD2-OG 2.76Å |
| 788 | N | 90.9 | Very high | 91.6 | Very high | 42 Ų | 42 | 39 Ų | 39 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -87.8 | 165.1 | -177.4 | -75.2 | -36.7 | 0 | 0 | 0 | 113.1 | R782 D785 P786 W792 R826 | R782-N788 PolarHBondContact O-ND2 2.95Å; D785-N788 PolarHBondContact O-N 3.34Å; D785-N788 VanDerWaalsContact O-N 3.15Å; P786-N788 VanDerWaalsContact C-N 3.34Å; N788-W792 HydrophobicContact CB-CD2 4.21Å; N788-W792 HydrophobicContact CB-CE3 3.43Å; N788-W792 VanDerWaalsContact CB-CE3 3.43Å; N788-W792 HydrophobicContact CB-CH2 4.43Å; N788-W792 HydrophobicContact CB-CZ3 3.57Å; N788-W792 WeakPolarHBondContact ND2-CZ3 3.21Å; N788-W792 WeakPolarHBondContact OD1-CZ3 3.41Å; N788-R826 PolarHBondContact O-NH1 3.15Å; N788-R826 VanDerWaalsContact O-NH1 3.07Å; N788-R826 PolarHBondContact O-NH2 3.44Å |
| 789 | P | 89.9 | Confident | 91.7 | Very high | 59 Ų | 59 | 34 Ų | 34 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | trans | -55.2 | 143.6 | 179.2 | -24.5 | 33.9 | 0 | 0 | 0 | 113.7 | E791 W792 R826 | P789-E791 WeakPolarHBondContact CB-OE2 3.37Å; P789-E791 PolarHBondContact O-N 3.2Å; P789-W792 HydrophobicContact CG-CZ2 4.05Å; P789-W792 WeakPolarHBondContact O-CB 3.48Å; P789-W792 PolarHBondContact O-N 3.07Å; P789-R826 VanDerWaalsContact C-NH2 3.32Å; P789-R826 PolarHBondContact O-NH2 3.12Å | ||
| 790 | V | 87.6 | Confident | 91.6 | Very high | 48 Ų | 48 | 34 Ų | 34 | 29% | 0.291 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -63.1 | -31.2 | -173.1 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | W792 A793 L830 A853 | V790-W792 PolarHBondContact O-N 3.06Å; V790-W792 VanDerWaalsContact O-N 3.1Å; V790-A793 WeakPolarHBondContact O-CB 3.44Å; V790-A793 PolarHBondContact O-N 3.45Å; V790-L830 HydrophobicContact CG1-CD2 3.8Å; V790-L830 HydrophobicContact CG2-CD2 4.1Å; V790-A853 HydrophobicContact CG1-CB 4.18Å |
| 791 | E | 87 | Confident | 91.3 | Very high | 110 Ų | 110 | 34 Ų | 34 | 51% | 0.514 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -55.9 | -28.7 | 178.9 | -59 | 76.1 | -166.3 | 0 | 0 | 111.8 | P789 A793 P795 | P789-E791 WeakPolarHBondContact CB-OE2 3.37Å; P789-E791 PolarHBondContact O-N 3.2Å; E791-A793 VanDerWaalsContact C-N 3.27Å; E791-A793 PolarHBondContact O-N 2.94Å; E791-P795 WeakPolarHBondContact O-CD 3.48Å |
| 792 | W | 91.7 | Very high | 91.2 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.045 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -75 | -16.4 | 179.9 | -60.6 | 7 | 0 | 0 | 0 | 112.8 | I743 R782 L783 N788 P789 V790 P795 A796 | I743-W792 HydrophobicContact CD1-CD2 4.13Å; I743-W792 HydrophobicContact CD1-CH2 4.26Å; I743-W792 HydrophobicContact CD1-CZ2 3.63Å; R782-W792 HydrophobicContact CG-CZ3 4.45Å; L783-W792 HydrophobicContact CB-CB 4.48Å; L783-W792 HydrophobicContact CD2-CB 3.91Å; L783-W792 HydrophobicContact CD2-CD2 4.16Å; L783-W792 HydrophobicContact CD2-CE3 3.98Å; L783-W792 HydrophobicContact CD2-CG 4.16Å; N788-W792 HydrophobicContact CB-CD2 4.21Å; N788-W792 HydrophobicContact CB-CE3 3.43Å; N788-W792 VanDerWaalsContact CB-CE3 3.43Å; N788-W792 HydrophobicContact CB-CH2 4.43Å; N788-W792 HydrophobicContact CB-CZ3 3.57Å; N788-W792 WeakPolarHBondContact ND2-CZ3 3.21Å; N788-W792 WeakPolarHBondContact OD1-CZ3 3.41Å; P789-W792 HydrophobicContact CG-CZ2 4.05Å; P789-W792 WeakPolarHBondContact O-CB 3.48Å; P789-W792 PolarHBondContact O-N 3.07Å; V790-W792 PolarHBondContact O-N 3.06Å; V790-W792 VanDerWaalsContact O-N 3.1Å; W792-P795 WeakPolarHBondContact O-CD 3.28Å; W792-P795 WeakPolarHBondContact O-CG 3.12Å; W792-A796 VanDerWaalsContact O-CB 3.28Å; W792-A796 WeakPolarHBondContact O-CB 3.49Å; W792-A796 PolarHBondContact O-N 3.49Å |
| 793 | A | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.5 | -32.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | V790 E791 A796 G797 R826 L830 A853 L857 | V790-A793 WeakPolarHBondContact O-CB 3.44Å; V790-A793 PolarHBondContact O-N 3.45Å; E791-A793 VanDerWaalsContact C-N 3.27Å; E791-A793 PolarHBondContact O-N 2.94Å; A793-A796 WeakPolarHBondContact O-CB 3.29Å; A793-A796 PolarHBondContact O-N 2.93Å; A793-G797 PolarHBondContact O-N 2.91Å; A793-R826 HydrophobicContact CB-CG 4.29Å; A793-L830 HydrophobicContact CB-CD1 4.23Å; A793-A853 HydrophobicContact CB-CB 3.7Å; A793-L857 HydrophobicContact CB-CD1 3.92Å; A793-L857 HydrophobicContact CB-CG 4.45Å |
| 794 | T | 91.5 | Very high | 90.7 | Very high | 37 Ų | 37 | 29.7 Ų | 29.7 | 23% | 0.227 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -55.4 | 175.6 | -57 | 0 | 0 | 0 | 0 | 112.1 | A796 G797 K798 A853 S856 | T794-A796 VanDerWaalsContact C-N 3.28Å; T794-A796 PolarHBondContact O-N 3.24Å; T794-G797 PolarHBondContact O-N 2.9Å; T794-K798 PolarHBondContact O-N 3.31Å; T794-K798 VanDerWaalsContact O-N 3.11Å; T794-A853 WeakPolarHBondContact OG1-CA 3.3Å; T794-A853 PolarHBondContact OG1-N 3.38Å; T794-S856 PolarHBondContact O-OG 3.4Å |
| 795 | P | 91.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -30.4 | 174.9 | 24.5 | -32.1 | 0 | 0 | 0 | 112.3 | C747 E791 W792 K798 L799 | C747-P795 HydrophobicContact CB-CB 3.81Å; E791-P795 WeakPolarHBondContact O-CD 3.48Å; W792-P795 WeakPolarHBondContact O-CD 3.28Å; W792-P795 WeakPolarHBondContact O-CG 3.12Å; P795-K798 PolarHBondContact O-N 3.12Å; P795-L799 VanDerWaalsContact O-CB 3.31Å; P795-L799 WeakPolarHBondContact O-CB 3.29Å; P795-L799 PolarHBondContact O-N 3.36Å |
| 796 | A | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L783 L784 W792 A793 T794 L799 A800 L857 | L783-A796 HydrophobicContact CB-CB 3.58Å; L784-A796 HydrophobicContact CD2-CB 3.67Å; L784-A796 HydrophobicContact CG-CB 4.02Å; W792-A796 VanDerWaalsContact O-CB 3.28Å; W792-A796 WeakPolarHBondContact O-CB 3.49Å; W792-A796 PolarHBondContact O-N 3.49Å; A793-A796 WeakPolarHBondContact O-CB 3.29Å; A793-A796 PolarHBondContact O-N 2.93Å; T794-A796 VanDerWaalsContact C-N 3.28Å; T794-A796 PolarHBondContact O-N 3.24Å; A796-L799 PolarHBondContact O-N 3.49Å; A796-A800 WeakPolarHBondContact O-CB 3.41Å; A796-A800 PolarHBondContact O-N 3.03Å; A796-L857 HydrophobicContact CB-CD2 4.49Å |
| 797 | G | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A793 T794 L799 A800 Y801 S856 V860 | A793-G797 PolarHBondContact O-N 2.91Å; T794-G797 PolarHBondContact O-N 2.9Å; G797-L799 PolarHBondContact O-N 3.25Å; G797-A800 PolarHBondContact O-N 3.4Å; G797-Y801 WeakPolarHBondContact O-CD1 3.45Å; G797-Y801 PolarHBondContact O-N 2.99Å; G797-S856 VanDerWaalsContact CA-OG 3.3Å; G797-S856 WeakPolarHBondContact CA-OG 3.35Å; G797-V860 WeakPolarHBondContact O-CG2 3.43Å |
| 798 | K | 91 | Very high | 89.4 | Confident | 61 Ų | 61 | 27 Ų | 27 | 27% | 0.265 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.1 | -49.9 | 174.9 | -74.1 | -174.6 | 179.9 | -176.7 | 0 | 112.1 | R751 T794 P795 Y801 A802 S856 | R751-K798 VanDerWaalsContact NH1-C 3.27Å; R751-K798 PolarHBondContact NH1-O 3.01Å; T794-K798 PolarHBondContact O-N 3.31Å; T794-K798 VanDerWaalsContact O-N 3.11Å; P795-K798 PolarHBondContact O-N 3.12Å; K798-Y801 VanDerWaalsContact CA-CE1 3.4Å; K798-Y801 HydrophobicContact CB-CE1 4.17Å; K798-Y801 HydrophobicContact CG-CE1 4.11Å; K798-A802 WeakPolarHBondContact O-CB 3.31Å; K798-A802 PolarHBondContact O-N 3.48Å; K798-S856 PolarHBondContact N-OG 2.88Å; K798-S856 VanDerWaalsContact N-OG 3.11Å |
| 799 | L | 93.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.4 | -40.6 | 179.7 | -174.9 | 57.9 | 0 | 0 | 0 | 111.7 | I750 R751 L754 I776 V779 T780 P795 A796 G797 Y801 A802 I803 | I750-L799 HydrophobicContact CB-CD1 4.24Å; I750-L799 HydrophobicContact CG2-CD1 3.62Å; R751-L799 HydrophobicContact CG-CD1 4.08Å; L754-L799 HydrophobicContact CD1-CD1 4.12Å; I776-L799 HydrophobicContact CG2-CD1 4.15Å; I776-L799 HydrophobicContact CG2-CD2 4.4Å; I776-L799 HydrophobicContact CG2-CG 4.41Å; V779-L799 HydrophobicContact CG1-CD2 4.12Å; T780-L799 VanDerWaalsContact OG1-CD2 3.25Å; T780-L799 WeakPolarHBondContact OG1-CD2 3.5Å; P795-L799 VanDerWaalsContact O-CB 3.31Å; P795-L799 WeakPolarHBondContact O-CB 3.29Å; P795-L799 PolarHBondContact O-N 3.36Å; A796-L799 PolarHBondContact O-N 3.49Å; G797-L799 PolarHBondContact O-N 3.25Å; L799-Y801 PolarHBondContact O-N 2.89Å; L799-A802 WeakPolarHBondContact O-CB 3.42Å; L799-A802 PolarHBondContact O-N 3.13Å; L799-I803 HydrophobicContact CG-CD1 4.29Å; L799-I803 VanDerWaalsContact O-CG1 3.3Å; L799-I803 WeakPolarHBondContact O-CG1 3.38Å; L799-I803 PolarHBondContact O-N 3.06Å |
| 800 | A | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T780 A796 G797 I803 L804 L819 V823 V860 | T780-A800 HydrophobicContact CG2-CB 4.2Å; A796-A800 WeakPolarHBondContact O-CB 3.41Å; A796-A800 PolarHBondContact O-N 3.03Å; G797-A800 PolarHBondContact O-N 3.4Å; A800-I803 WeakPolarHBondContact O-CB 3.32Å; A800-I803 PolarHBondContact O-N 3.23Å; A800-L804 WeakPolarHBondContact O-CG 3.25Å; A800-L804 PolarHBondContact O-N 3.26Å; A800-L819 HydrophobicContact CB-CD1 3.98Å; A800-L819 HydrophobicContact CB-CD2 4.49Å; A800-L819 HydrophobicContact CB-CG 4.46Å; A800-V823 HydrophobicContact CB-CG2 3.95Å; A800-V860 HydrophobicContact CB-CG1 4.21Å; A800-V860 HydrophobicContact CB-CG2 3.91Å |
| 801 | Y | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.3 | -32.4 | 176.8 | 77.1 | -115.3 | 0 | 0 | 0 | 112 | R751 G797 K798 L799 I803 L804 L805 F859 I1079 Y1080 | R751-Y801 VanDerWaalsContact NH1-CE2 3.3Å; R751-Y801 PolarHBondContact NH1-OH 3.36Å; R751-Y801 PolarHBondContact NH2-OH 2.81Å; G797-Y801 WeakPolarHBondContact O-CD1 3.45Å; G797-Y801 PolarHBondContact O-N 2.99Å; K798-Y801 VanDerWaalsContact CA-CE1 3.4Å; K798-Y801 HydrophobicContact CB-CE1 4.17Å; K798-Y801 HydrophobicContact CG-CE1 4.11Å; L799-Y801 PolarHBondContact O-N 2.89Å; Y801-I803 VanDerWaalsContact C-N 3.3Å; Y801-I803 PolarHBondContact O-N 2.88Å; Y801-L804 PolarHBondContact O-N 3.12Å; Y801-L804 VanDerWaalsContact O-N 3.1Å; Y801-L805 HydrophobicContact CD2-CD1 4Å; Y801-L805 HydrophobicContact CE2-CD1 4.37Å; Y801-L805 WeakPolarHBondContact O-CG 3.34Å; Y801-L805 PolarHBondContact O-N 3.04Å; Y801-F859 AromaticContact CD1-CD1 3.74Å; Y801-F859 HydrophobicContact CD1-CD1 3.74Å; Y801-F859 HydrophobicContact CD1-CE1 4.32Å; Y801-F859 AromaticContact CE1-CD1 3.88Å; Y801-F859 HydrophobicContact CE1-CD1 3.88Å; Y801-F859 HydrophobicContact CE1-CE1 4.29Å; Y801-F859 HydrophobicContact CG-CD1 4.18Å; Y801-F859 HydrophobicContact CG-CE1 4.45Å; Y801-I1079 HydrophobicContact CE2-CG2 4.38Å; Y801-Y1080 HydrophobicContact CE2-CE1 4.27Å; Y801-Y1080 WeakPolarHBondContact OH-CE1 3.39Å; Y801-Y1080 PolarHBondContact OH-OH 3.17Å |
| 802 | A | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R751 L754 K798 L799 L804 L805 H806 I1079 | R751-A802 HydrophobicContact CG-CB 4Å; L754-A802 HydrophobicContact CD1-CB 3.99Å; K798-A802 WeakPolarHBondContact O-CB 3.31Å; K798-A802 PolarHBondContact O-N 3.48Å; L799-A802 WeakPolarHBondContact O-CB 3.42Å; L799-A802 PolarHBondContact O-N 3.13Å; A802-L804 VanDerWaalsContact C-N 3.32Å; A802-L804 PolarHBondContact O-N 3.49Å; A802-L805 PolarHBondContact O-N 3.28Å; A802-H806 PolarHBondContact O-CD2 2.87Å; A802-H806 VanDerWaalsContact O-CD2 3.25Å; A802-H806 PolarHBondContact O-N 2.71Å; A802-I1079 HydrophobicContact CB-CD1 3.66Å |
| 803 | I | 90.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 172.7 | -67 | 164.8 | 0 | 0 | 0 | 111 | L754 I776 L777 T780 L799 A800 Y801 L805 H806 F807 L812 L819 | L754-I803 HydrophobicContact CD1-CG1 3.96Å; I776-I803 HydrophobicContact CG2-CD1 3.72Å; I776-I803 HydrophobicContact CG2-CG1 3.98Å; L777-I803 HydrophobicContact CD2-CD1 4.39Å; T780-I803 HydrophobicContact CG2-CD1 4.4Å; T780-I803 WeakPolarHBondContact OG1-CD1 3.17Å; L799-I803 HydrophobicContact CG-CD1 4.29Å; L799-I803 VanDerWaalsContact O-CG1 3.3Å; L799-I803 WeakPolarHBondContact O-CG1 3.38Å; L799-I803 PolarHBondContact O-N 3.06Å; A800-I803 WeakPolarHBondContact O-CB 3.32Å; A800-I803 PolarHBondContact O-N 3.23Å; Y801-I803 VanDerWaalsContact C-N 3.3Å; Y801-I803 PolarHBondContact O-N 2.88Å; I803-L805 PolarHBondContact O-N 3.15Å; I803-H806 PolarHBondContact O-N 3.36Å; I803-F807 HydrophobicContact CG2-CD2 4.08Å; I803-F807 PolarHBondContact O-N 2.94Å; I803-L812 HydrophobicContact CG2-CD1 3.85Å; I803-L812 HydrophobicContact CG2-CD2 3.94Å; I803-L819 HydrophobicContact CB-CD2 4.4Å; I803-L819 HydrophobicContact CG2-CD2 4.05Å |
| 804 | L | 88.2 | Confident | 85.7 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.3 | -27.1 | -179.7 | -67.2 | 179.4 | 0 | 0 | 0 | 114 | A800 Y801 A802 T816 L819 L820 V860 L863 | A800-L804 WeakPolarHBondContact O-CG 3.25Å; A800-L804 PolarHBondContact O-N 3.26Å; Y801-L804 PolarHBondContact O-N 3.12Å; Y801-L804 VanDerWaalsContact O-N 3.1Å; A802-L804 VanDerWaalsContact C-N 3.32Å; A802-L804 PolarHBondContact O-N 3.49Å; L804-T816 HydrophobicContact CD2-CG2 4.2Å; L804-L819 HydrophobicContact CD2-CD2 4.34Å; L804-L819 HydrophobicContact CG-CD2 4.45Å; L804-L820 HydrophobicContact CD1-CD2 4.12Å; L804-V860 HydrophobicContact CD1-CG1 3.56Å; L804-L863 HydrophobicContact CB-CD2 4.37Å |
| 805 | L | 86.3 | Confident | 85.4 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.2 | -38.7 | 175.1 | -73.9 | 172.2 | 0 | 0 | 0 | 112 | Y801 A802 I803 L863 I867 I1079 | Y801-L805 HydrophobicContact CD2-CD1 4Å; Y801-L805 HydrophobicContact CE2-CD1 4.37Å; Y801-L805 WeakPolarHBondContact O-CG 3.34Å; Y801-L805 PolarHBondContact O-N 3.04Å; A802-L805 PolarHBondContact O-N 3.28Å; I803-L805 PolarHBondContact O-N 3.15Å; L805-L863 HydrophobicContact CD1-CD2 4.38Å; L805-L863 HydrophobicContact CD2-CD1 3.9Å; L805-L863 HydrophobicContact CD2-CD2 3.79Å; L805-L863 HydrophobicContact CD2-CG 4.41Å; L805-L863 HydrophobicContact CG-CD2 3.73Å; L805-I867 HydrophobicContact CD2-CD1 4.39Å; L805-I1079 HydrophobicContact CD1-CG2 3.65Å |
| 806 | H | 85.7 | Confident | 85 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -99.6 | -20.5 | -169.9 | -70.2 | -68.1 | 0 | 0 | 0 | 115.5 | L754 A802 I803 | L754-H806 PolarHBondContact O-ND1 2.81Å; A802-H806 PolarHBondContact O-CD2 2.87Å; A802-H806 VanDerWaalsContact O-CD2 3.25Å; A802-H806 PolarHBondContact O-N 2.71Å; I803-H806 PolarHBondContact O-N 3.36Å |
| 807 | F | 84.5 | Confident | 84.5 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -115.8 | 137 | 178.2 | -61.2 | -66.6 | 0 | 0 | 0 | 112.2 | L754 L762 V773 I803 L812 | L754-F807 HydrophobicContact CD2-CE2 3.43Å; L754-F807 VanDerWaalsContact CD2-CE2 3.43Å; L754-F807 HydrophobicContact CD2-CZ 3.73Å; L762-F807 HydrophobicContact CB-CE1 4.31Å; L762-F807 HydrophobicContact CD1-CD1 4.05Å; L762-F807 HydrophobicContact CD1-CE1 3.96Å; V773-F807 HydrophobicContact CG1-CE2 4.44Å; V773-F807 HydrophobicContact CG2-CE1 3.9Å; V773-F807 HydrophobicContact CG2-CE2 4.21Å; V773-F807 HydrophobicContact CG2-CZ 3.64Å; I803-F807 HydrophobicContact CG2-CD2 4.08Å; I803-F807 PolarHBondContact O-N 2.94Å; F807-L812 HydrophobicContact CB-CD1 3.93Å; F807-L812 HydrophobicContact CB-CD2 4.26Å; F807-L812 HydrophobicContact CB-CG 3.84Å |
| 808 | D | 78.6 | Confident | 84.3 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | trans | -78.5 | 166.3 | 172.8 | 74.7 | 23.9 | 0 | 0 | 0 | 111.8 | Q810 Q811 L812 | D808-Q810 PolarHBondContact O-N 2.92Å; D808-Q810 WeakPolarHBondContact OD1-CA 3.19Å; D808-Q810 WeakPolarHBondContact OD1-CB 3.43Å; D808-Q810 PolarHBondContact OD1-N 3.2Å; D808-Q811 PolarHBondContact O-N 2.94Å; D808-Q811 WeakPolarHBondContact OD1-CB 3.49Å; D808-Q811 VanDerWaalsContact OD1-CG 3.23Å; D808-Q811 WeakPolarHBondContact OD1-CG 3.37Å; D808-Q811 PolarHBondContact OD1-N 3.19Å; D808-L812 PolarHBondContact O-N 3.16Å | ||
| 809 | A | 72.2 | Confident | 84.3 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 30% | 0.298 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68 | -17.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | R813 | A809-R813 WeakPolarHBondContact O-CA 3.47Å; A809-R813 PolarHBondContact O-N 3.33Å |
| 810 | Q | 75.3 | Confident | 84.2 | Confident | 162 Ų | 162 | 54.6 Ų | 54.6 | 76% | 0.757 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -77.4 | -34.1 | 176.9 | -61.7 | -173.3 | -2.8 | 0 | 0 | 111.2 | D808 R813 | D808-Q810 PolarHBondContact O-N 2.92Å; D808-Q810 WeakPolarHBondContact OD1-CA 3.19Å; D808-Q810 WeakPolarHBondContact OD1-CB 3.43Å; D808-Q810 PolarHBondContact OD1-N 3.2Å; Q810-R813 WeakPolarHBondContact O-CG 3.35Å |
| 811 | Q | 79.3 | Confident | 84 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.3 | -44.6 | 176.4 | -70.6 | 169.8 | -31.6 | 0 | 0 | 111.2 | L762 D808 | L762-Q811 HydrophobicContact CD1-CB 4.06Å; L762-Q811 HydrophobicContact CD1-CG 3.82Å; D808-Q811 PolarHBondContact O-N 2.94Å; D808-Q811 WeakPolarHBondContact OD1-CB 3.49Å; D808-Q811 VanDerWaalsContact OD1-CG 3.23Å; D808-Q811 WeakPolarHBondContact OD1-CG 3.37Å; D808-Q811 PolarHBondContact OD1-N 3.19Å |
| 812 | L | 78 | Confident | 84 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -79.5 | -24.1 | 179.6 | -67.8 | 170.5 | 0 | 0 | 0 | 113.6 | V773 L777 I803 F807 D808 E814 N815 T816 | V773-L812 HydrophobicContact CG1-CD2 3.98Å; L777-L812 HydrophobicContact CD1-CD2 4.24Å; L777-L812 HydrophobicContact CD2-CD2 4.42Å; I803-L812 HydrophobicContact CG2-CD1 3.85Å; I803-L812 HydrophobicContact CG2-CD2 3.94Å; F807-L812 HydrophobicContact CB-CD1 3.93Å; F807-L812 HydrophobicContact CB-CD2 4.26Å; F807-L812 HydrophobicContact CB-CG 3.84Å; D808-L812 PolarHBondContact O-N 3.16Å; L812-E814 PolarHBondContact O-N 3.08Å; L812-N815 VanDerWaalsContact O-CB 3.24Å; L812-N815 WeakPolarHBondContact O-CB 3.38Å; L812-N815 PolarHBondContact O-N 2.58Å; L812-T816 VanDerWaalsContact CB-OG1 3.27Å; L812-T816 WeakPolarHBondContact CB-OG1 3.29Å |
| 813 | R | 78 | Confident | 84.2 | Confident | 201 Ų | 201 | 60.9 Ų | 60.9 | 76% | 0.758 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | -128.1 | -178 | -55.7 | -178.1 | -179.3 | -177.6 | 2.4 | 111.6 | A809 Q810 N815 T816 | A809-R813 WeakPolarHBondContact O-CA 3.47Å; A809-R813 PolarHBondContact O-N 3.33Å; Q810-R813 WeakPolarHBondContact O-CG 3.35Å; R813-N815 PolarHBondContact O-N 2.83Å; R813-T816 PolarHBondContact O-N 3.31Å; R813-T816 PolarHBondContact O-OG1 3.13Å |
| 814 | E | 78.6 | Confident | 84.1 | Confident | 171 Ų | 171 | 61 Ų | 61 | 80% | 0.799 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.5 | -179.5 | -61 | -179.6 | -179.3 | 0 | 0 | 113 | L812 T816 D817 L818 | L812-E814 PolarHBondContact O-N 3.08Å; E814-T816 VanDerWaalsContact C-N 3.3Å; E814-T816 PolarHBondContact O-N 3.28Å; E814-D817 PolarHBondContact O-N 3.2Å; E814-L818 PolarHBondContact O-N 3.43Å |
| 815 | N | 83.6 | Confident | 84.1 | Confident | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.4 | -22.5 | -178.4 | -61.2 | -31 | 0 | 0 | 0 | 113.1 | L777 L812 R813 D817 L818 L819 | L777-N815 HydrophobicContact CD1-CB 3.7Å; L777-N815 WeakPolarHBondContact CD1-ND2 3.27Å; L777-N815 HydrophobicContact CD2-CB 4.48Å; L812-N815 VanDerWaalsContact O-CB 3.24Å; L812-N815 WeakPolarHBondContact O-CB 3.38Å; L812-N815 PolarHBondContact O-N 2.58Å; R813-N815 PolarHBondContact O-N 2.83Å; N815-D817 VanDerWaalsContact C-N 3.28Å; N815-D817 PolarHBondContact O-N 3.02Å; N815-L818 PolarHBondContact O-N 3.35Å; N815-L819 WeakPolarHBondContact O-CB 3.12Å; N815-L819 PolarHBondContact O-N 2.84Å |
| 816 | T | 83.4 | Confident | 84.3 | Confident | 21 Ų | 21 | 60 Ų | 60 | 13% | 0.129 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -45.9 | 175.3 | -43 | 0 | 0 | 0 | 0 | 110.5 | L804 L812 R813 E814 L819 L820 | L804-T816 HydrophobicContact CD2-CG2 4.2Å; L812-T816 VanDerWaalsContact CB-OG1 3.27Å; L812-T816 WeakPolarHBondContact CB-OG1 3.29Å; R813-T816 PolarHBondContact O-N 3.31Å; R813-T816 PolarHBondContact O-OG1 3.13Å; E814-T816 VanDerWaalsContact C-N 3.3Å; E814-T816 PolarHBondContact O-N 3.28Å; T816-L819 PolarHBondContact O-N 2.92Å; T816-L820 HydrophobicContact CG2-CD1 4.33Å; T816-L820 VanDerWaalsContact O-CG 3.31Å; T816-L820 WeakPolarHBondContact O-CG 3.37Å; T816-L820 PolarHBondContact O-N 2.88Å |
| 817 | D | 84.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | -178.9 | -113.9 | 45.1 | 0 | 0 | 0 | 111.3 | E814 N815 R821 | E814-D817 PolarHBondContact O-N 3.2Å; N815-D817 VanDerWaalsContact C-N 3.28Å; N815-D817 PolarHBondContact O-N 3.02Å; D817-R821 VanDerWaalsContact CB-NH1 3.33Å; D817-R821 WeakPolarHBondContact O-CB 3.42Å; D817-R821 VanDerWaalsContact O-CG 3.23Å; D817-R821 WeakPolarHBondContact O-CG 3.46Å; D817-R821 PolarHBondContact O-N 2.97Å; D817-R821 IonicContact OD2-CZ 3.58Å; D817-R821 VanDerWaalsContact OD2-CZ 3.3Å; D817-R821 IonicContact OD2-NH1 3.46Å; D817-R821 PolarHBondContact OD2-NH1 3.22Å; D817-R821 IonicContact OD2-NH2 3.54Å; D817-R821 PolarHBondContact OD2-NH2 2.95Å |
| 818 | L | 88 | Confident | 84.5 | Confident | 110 Ų | 110 | 59.3 Ų | 59.3 | 58% | 0.576 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.6 | -44.1 | 175.4 | -172 | 66 | 0 | 0 | 0 | 111.7 | E814 N815 R821 G822 | E814-L818 PolarHBondContact O-N 3.43Å; N815-L818 PolarHBondContact O-N 3.35Å; L818-R821 PolarHBondContact O-N 3.43Å; L818-G822 PolarHBondContact O-N 3.42Å |
| 819 | L | 91.5 | Very high | 84.7 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -52.2 | 176.2 | 177.6 | 67 | 0 | 0 | 0 | 110.7 | T780 L784 A800 I803 L804 N815 T816 R821 G822 V823 | T780-L819 HydrophobicContact CG2-CD1 3.5Å; T780-L819 VanDerWaalsContact CG2-CD1 3.5Å; L784-L819 HydrophobicContact CD1-CD1 3.9Å; A800-L819 HydrophobicContact CB-CD1 3.98Å; A800-L819 HydrophobicContact CB-CD2 4.49Å; A800-L819 HydrophobicContact CB-CG 4.46Å; I803-L819 HydrophobicContact CB-CD2 4.4Å; I803-L819 HydrophobicContact CG2-CD2 4.05Å; L804-L819 HydrophobicContact CD2-CD2 4.34Å; L804-L819 HydrophobicContact CG-CD2 4.45Å; N815-L819 WeakPolarHBondContact O-CB 3.12Å; N815-L819 PolarHBondContact O-N 2.84Å; T816-L819 PolarHBondContact O-N 2.92Å; L819-R821 VanDerWaalsContact C-N 3.33Å; L819-R821 PolarHBondContact O-N 2.72Å; L819-G822 PolarHBondContact O-N 2.72Å; L819-G822 VanDerWaalsContact O-N 3.12Å; L819-V823 WeakPolarHBondContact O-CG2 3.42Å; L819-V823 PolarHBondContact O-N 3.37Å |
| 820 | L | 89.8 | Confident | 85.1 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 179.5 | -68.8 | 174.5 | 0 | 0 | 0 | 112 | L804 T816 V823 L824 V860 I861 L864 F875 | L804-L820 HydrophobicContact CD1-CD2 4.12Å; T816-L820 HydrophobicContact CG2-CD1 4.33Å; T816-L820 VanDerWaalsContact O-CG 3.31Å; T816-L820 WeakPolarHBondContact O-CG 3.37Å; T816-L820 PolarHBondContact O-N 2.88Å; L820-V823 PolarHBondContact O-N 3.31Å; L820-L824 WeakPolarHBondContact O-CB 3.36Å; L820-L824 VanDerWaalsContact O-CG 3.32Å; L820-L824 WeakPolarHBondContact O-CG 3.4Å; L820-L824 PolarHBondContact O-N 2.98Å; L820-V860 HydrophobicContact CD2-CG1 4.41Å; L820-I861 HydrophobicContact CD2-CD1 4.33Å; L820-L864 HydrophobicContact CD1-CD2 3.83Å; L820-L864 HydrophobicContact CD2-CD2 4.15Å; L820-F875 HydrophobicContact CB-CE1 3.64Å; L820-F875 HydrophobicContact CB-CE2 4.38Å; L820-F875 HydrophobicContact CB-CZ 3.46Å; L820-F875 VanDerWaalsContact CB-CZ 3.46Å; L820-F875 HydrophobicContact CD1-CD1 4.46Å; L820-F875 HydrophobicContact CD1-CE1 4.16Å; L820-F875 HydrophobicContact CD1-CZ 4.24Å; L820-F875 HydrophobicContact CG-CE1 4.48Å |
| 821 | R | 89.4 | Confident | 85 | Confident | 111 Ų | 111 | 50.3 Ų | 50.3 | 42% | 0.419 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 173.4 | -75.6 | -178 | -171.5 | 98.1 | 12 | 112.4 | D817 L818 L819 L824 A825 F875 I879 | D817-R821 VanDerWaalsContact CB-NH1 3.33Å; D817-R821 WeakPolarHBondContact O-CB 3.42Å; D817-R821 VanDerWaalsContact O-CG 3.23Å; D817-R821 WeakPolarHBondContact O-CG 3.46Å; D817-R821 PolarHBondContact O-N 2.97Å; D817-R821 IonicContact OD2-CZ 3.58Å; D817-R821 VanDerWaalsContact OD2-CZ 3.3Å; D817-R821 IonicContact OD2-NH1 3.46Å; D817-R821 PolarHBondContact OD2-NH1 3.22Å; D817-R821 IonicContact OD2-NH2 3.54Å; D817-R821 PolarHBondContact OD2-NH2 2.95Å; L818-R821 PolarHBondContact O-N 3.43Å; L819-R821 VanDerWaalsContact C-N 3.33Å; L819-R821 PolarHBondContact O-N 2.72Å; R821-L824 PolarHBondContact O-N 3.48Å; R821-A825 VanDerWaalsContact O-CB 3.28Å; R821-A825 WeakPolarHBondContact O-CB 3.3Å; R821-A825 PolarHBondContact O-N 2.95Å; R821-F875 HydrophobicContact CG-CE2 4.45Å; R821-F875 HydrophobicContact CG-CZ 4.09Å; R821-I879 HydrophobicContact CG-CD1 4.2Å |
| 822 | G | 90.4 | Very high | 83.9 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L818 L819 L824 A825 R826 | L818-G822 PolarHBondContact O-N 3.42Å; L819-G822 PolarHBondContact O-N 2.72Å; L819-G822 VanDerWaalsContact O-N 3.12Å; G822-L824 PolarHBondContact O-N 2.82Å; G822-A825 PolarHBondContact O-N 3.33Å; G822-R826 WeakPolarHBondContact O-CB 3.25Å; G822-R826 PolarHBondContact O-N 2.9Å |
| 823 | V | 92.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | L784 A800 L819 L820 R826 L827 L857 V860 I861 | L784-V823 HydrophobicContact CD1-CG2 3.74Å; L784-V823 HydrophobicContact CD2-CG2 3.97Å; A800-V823 HydrophobicContact CB-CG2 3.95Å; L819-V823 WeakPolarHBondContact O-CG2 3.42Å; L819-V823 PolarHBondContact O-N 3.37Å; L820-V823 PolarHBondContact O-N 3.31Å; V823-R826 PolarHBondContact O-N 3.19Å; V823-L827 WeakPolarHBondContact O-CB 3.38Å; V823-L827 PolarHBondContact O-N 3.48Å; V823-L857 HydrophobicContact CG1-CB 4.27Å; V823-L857 HydrophobicContact CG1-CD2 4.14Å; V823-L857 WeakPolarHBondContact CG1-O 3.33Å; V823-V860 HydrophobicContact CG1-CB 4.1Å; V823-V860 HydrophobicContact CG1-CG1 4.44Å; V823-V860 HydrophobicContact CG1-CG2 4.27Å; V823-V860 HydrophobicContact CG2-CG1 4.32Å; V823-V860 HydrophobicContact CG2-CG2 4.48Å; V823-I861 HydrophobicContact CG1-CD1 4.42Å |
| 824 | L | 89.7 | Confident | 81.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.6 | -72.9 | 175 | 0 | 0 | 0 | 112.4 | L820 R821 G822 R826 L827 C828 I861 F875 L876 I879 I887 I891 | L820-L824 WeakPolarHBondContact O-CB 3.36Å; L820-L824 VanDerWaalsContact O-CG 3.32Å; L820-L824 WeakPolarHBondContact O-CG 3.4Å; L820-L824 PolarHBondContact O-N 2.98Å; R821-L824 PolarHBondContact O-N 3.48Å; G822-L824 PolarHBondContact O-N 2.82Å; L824-R826 VanDerWaalsContact C-N 3.34Å; L824-R826 PolarHBondContact O-N 2.68Å; L824-L827 PolarHBondContact O-N 2.83Å; L824-C828 VanDerWaalsContact O-CB 3.32Å; L824-C828 WeakPolarHBondContact O-CB 3.45Å; L824-C828 PolarHBondContact O-N 2.85Å; L824-C828 PolarHBondContact O-SG 3.1Å; L824-I861 HydrophobicContact CD2-CD1 3.93Å; L824-I861 HydrophobicContact CD2-CG1 4.19Å; L824-I861 HydrophobicContact CG-CD1 4.2Å; L824-F875 HydrophobicContact CD1-CD1 4.41Å; L824-F875 HydrophobicContact CD1-CE1 3.54Å; L824-F875 HydrophobicContact CD1-CZ 4.18Å; L824-L876 HydrophobicContact CD1-CD2 3.77Å; L824-L876 HydrophobicContact CD2-CD2 3.92Å; L824-L876 HydrophobicContact CG-CD2 4.47Å; L824-I879 HydrophobicContact CD1-CD1 3.49Å; L824-I879 VanDerWaalsContact CD1-CD1 3.49Å; L824-I887 HydrophobicContact CD2-CD1 4.39Å; L824-I891 HydrophobicContact CD2-CD1 3.93Å; L824-I891 HydrophobicContact CD2-CG1 4.25Å |
| 825 | A | 87.8 | Confident | 79.3 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R821 G822 C828 T829 | R821-A825 VanDerWaalsContact O-CB 3.28Å; R821-A825 WeakPolarHBondContact O-CB 3.3Å; R821-A825 PolarHBondContact O-N 2.95Å; G822-A825 PolarHBondContact O-N 3.33Å; A825-C828 PolarHBondContact O-N 3.35Å; A825-T829 VanDerWaalsContact O-CG2 3.29Å; A825-T829 WeakPolarHBondContact O-CG2 3.25Å; A825-T829 PolarHBondContact O-N 3.09Å; A825-T829 VanDerWaalsContact O-N 3.1Å |
| 826 | R | 90.2 | Very high | 77 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -47 | 176.6 | -167 | 61.1 | 164.5 | 162.7 | -6.3 | 111.4 | L784 D785 P786 N788 P789 A793 G822 V823 L824 C828 T829 L830 L857 | L784-R826 HydrophobicContact CD2-CB 4.23Å; D785-R826 PolarHBondContact O-NH1 3.31Å; P786-R826 PolarHBondContact O-NH1 3.03Å; N788-R826 PolarHBondContact O-NH1 3.15Å; N788-R826 VanDerWaalsContact O-NH1 3.07Å; N788-R826 PolarHBondContact O-NH2 3.44Å; P789-R826 VanDerWaalsContact C-NH2 3.32Å; P789-R826 PolarHBondContact O-NH2 3.12Å; A793-R826 HydrophobicContact CB-CG 4.29Å; G822-R826 WeakPolarHBondContact O-CB 3.25Å; G822-R826 PolarHBondContact O-N 2.9Å; V823-R826 PolarHBondContact O-N 3.19Å; L824-R826 VanDerWaalsContact C-N 3.34Å; L824-R826 PolarHBondContact O-N 2.68Å; R826-C828 PolarHBondContact O-N 2.84Å; R826-T829 PolarHBondContact O-N 2.81Å; R826-T829 VanDerWaalsContact O-N 3.13Å; R826-T829 PolarHBondContact O-OG1 3.28Å; R826-L830 WeakPolarHBondContact O-CG 3.48Å; R826-L830 PolarHBondContact O-N 3.06Å; R826-L830 VanDerWaalsContact O-N 3.14Å; R826-L857 HydrophobicContact CB-CD1 3.98Å; R826-L857 HydrophobicContact CG-CD1 3.69Å |
| 827 | L | 88.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 177.2 | -177.8 | 60.4 | 0 | 0 | 0 | 111.4 | V823 L824 T829 L830 I831 R854 L857 L858 I891 | V823-L827 WeakPolarHBondContact O-CB 3.38Å; V823-L827 PolarHBondContact O-N 3.48Å; L824-L827 PolarHBondContact O-N 2.83Å; L827-T829 VanDerWaalsContact C-N 3.31Å; L827-T829 PolarHBondContact O-N 3.04Å; L827-L830 CarbonylContact O-C 3.4Å; L827-L830 WeakPolarHBondContact O-CA 3.42Å; L827-L830 WeakPolarHBondContact O-CB 3.49Å; L827-L830 PolarHBondContact O-N 2.91Å; L827-I831 HydrophobicContact CD1-CD1 4.33Å; L827-I831 HydrophobicContact CG-CD1 3.83Å; L827-I831 HydrophobicContact CG-CG1 4.48Å; L827-I831 WeakPolarHBondContact O-CD1 3.3Å; L827-I831 VanDerWaalsContact O-CG1 3.24Å; L827-I831 WeakPolarHBondContact O-CG1 3.33Å; L827-I831 PolarHBondContact O-N 3.05Å; L827-R854 HydrophobicContact CD1-CB 4.44Å; L827-R854 HydrophobicContact CD1-CG 4.5Å; L827-L857 HydrophobicContact CB-CB 4.3Å; L827-L857 HydrophobicContact CB-CD1 4.35Å; L827-L857 HydrophobicContact CD1-CB 4.17Å; L827-L858 HydrophobicContact CD2-CD1 4.23Å; L827-I891 HydrophobicContact CD2-CD1 3.62Å; L827-I891 HydrophobicContact CG-CD1 4.5Å |
| 828 | C | 84.5 | Confident | 71.9 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -39.6 | 174.7 | -71.4 | 0 | 0 | 0 | 0 | 112.9 | L824 A825 R826 L830 I831 G832 I887 | L824-C828 VanDerWaalsContact O-CB 3.32Å; L824-C828 WeakPolarHBondContact O-CB 3.45Å; L824-C828 PolarHBondContact O-N 2.85Å; L824-C828 PolarHBondContact O-SG 3.1Å; A825-C828 PolarHBondContact O-N 3.35Å; R826-C828 PolarHBondContact O-N 2.84Å; C828-L830 VanDerWaalsContact C-N 3.26Å; C828-L830 PolarHBondContact O-N 2.8Å; C828-I831 PolarHBondContact O-N 2.92Å; C828-G832 PolarHBondContact O-N 3.48Å; C828-I887 WeakPolarHBondContact SG-CD1 3.46Å |
| 829 | T | 83 | Confident | 69.4 | Low | 58 Ų | 58 | 56.7 Ų | 56.7 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -32.3 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | P786 A825 R826 L827 | P786-T829 HydrophobicContact CB-CG2 3.66Å; P786-T829 HydrophobicContact CG-CG2 4.02Å; A825-T829 VanDerWaalsContact O-CG2 3.29Å; A825-T829 WeakPolarHBondContact O-CG2 3.25Å; A825-T829 PolarHBondContact O-N 3.09Å; A825-T829 VanDerWaalsContact O-N 3.1Å; R826-T829 PolarHBondContact O-N 2.81Å; R826-T829 VanDerWaalsContact O-N 3.13Å; R826-T829 PolarHBondContact O-OG1 3.28Å; L827-T829 VanDerWaalsContact C-N 3.31Å; L827-T829 PolarHBondContact O-N 3.04Å |
| 830 | L | 80.6 | Confident | 66.6 | Low | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.8 | -31.3 | 174 | -59.5 | 177.5 | 0 | 0 | 0 | 111.6 | V790 A793 R826 L827 C828 M850 A853 R854 L857 | V790-L830 HydrophobicContact CG1-CD2 3.8Å; V790-L830 HydrophobicContact CG2-CD2 4.1Å; A793-L830 HydrophobicContact CB-CD1 4.23Å; R826-L830 WeakPolarHBondContact O-CG 3.48Å; R826-L830 PolarHBondContact O-N 3.06Å; R826-L830 VanDerWaalsContact O-N 3.14Å; L827-L830 CarbonylContact O-C 3.4Å; L827-L830 WeakPolarHBondContact O-CA 3.42Å; L827-L830 WeakPolarHBondContact O-CB 3.49Å; L827-L830 PolarHBondContact O-N 2.91Å; C828-L830 VanDerWaalsContact C-N 3.26Å; C828-L830 PolarHBondContact O-N 2.8Å; L830-M850 HydrophobicContact CD2-CG 4.36Å; L830-A853 HydrophobicContact CD1-CB 3.86Å; L830-R854 HydrophobicContact CB-CG 3.7Å; L830-R854 HydrophobicContact CD1-CG 4.06Å; L830-R854 PolarHBondContact O-NE 3.36Å; L830-R854 PolarHBondContact O-NH2 3.24Å; L830-L857 HydrophobicContact CD1-CD1 3.84Å |
| 831 | I | 73.8 | Confident | 64 | Low | 13 Ų | 13 | 66.4 Ų | 66.4 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -74.9 | -41 | 177.8 | -61.4 | 156.4 | 0 | 0 | 0 | 111.7 | L827 C828 N833 N834 E890 I894 | L827-I831 HydrophobicContact CD1-CD1 4.33Å; L827-I831 HydrophobicContact CG-CD1 3.83Å; L827-I831 HydrophobicContact CG-CG1 4.48Å; L827-I831 WeakPolarHBondContact O-CD1 3.3Å; L827-I831 VanDerWaalsContact O-CG1 3.24Å; L827-I831 WeakPolarHBondContact O-CG1 3.33Å; L827-I831 PolarHBondContact O-N 3.05Å; C828-I831 PolarHBondContact O-N 2.92Å; I831-N833 PolarHBondContact O-N 3.33Å; I831-N834 PolarHBondContact O-N 2.84Å; I831-N834 VanDerWaalsContact O-N 3.13Å; I831-E890 VanDerWaalsContact CG2-OE1 3.25Å; I831-E890 WeakPolarHBondContact CG2-OE1 3.5Å; I831-I894 HydrophobicContact CB-CD1 4.4Å; I831-I894 HydrophobicContact CD1-CD1 3.17Å; I831-I894 HydrophobicContact CG1-CD1 3.5Å; I831-I894 HydrophobicContact CG2-CD1 3.95Å |
| 832 | G | 57.4 | Low | 61.4 | Low | 35 Ų | 35 | 63.8 Ų | 63.8 | 36% | 0.361 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -12.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | C828 | C828-G832 PolarHBondContact O-N 3.48Š|
| 833 | N | 49.8 | Very low | 58.8 | Low | 123 Ų | 123 | 68.4 Ų | 68.4 | 66% | 0.658 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -14.5 | 177.3 | -70.7 | -15.8 | 0 | 0 | 0 | 113.9 | I831 | I831-N833 PolarHBondContact O-N 3.33Š|
| 834 | N | 47.5 | Very low | 55.9 | Low | 70 Ų | 70 | 72.9 Ų | 72.9 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -108.8 | -12.9 | -168.6 | -71.1 | 6.5 | 0 | 0 | 0 | 115.4 | I831 K836 Q837 R854 | I831-N834 PolarHBondContact O-N 2.84Å; I831-N834 VanDerWaalsContact O-N 3.13Å; N834-K836 PolarHBondContact O-N 3.49Å; N834-Q837 PolarHBondContact O-N 2.93Å; N834-Q837 VanDerWaalsContact O-N 3.17Å; N834-R854 PolarHBondContact ND2-NH1 2.93Å; N834-R854 PolarHBondContact ND2-NH2 3.32Å |
| 835 | H | 39 | Very low | 53.3 | Low | 133 Ų | 133 | 77.7 Ų | 77.7 | 62% | 0.616 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -0.1 | -171.6 | -103.5 | -54.7 | 0 | 0 | 0 | 116.1 | E890 | H835-E890 IonicContact CD2-OE1 2.88Å; H835-E890 IonicContact NE2-OE1 3.29Å |
| 836 | K | 36.1 | Very low | 51 | Low | 208 Ų | 208 | 84 Ų | 84 | 90% | 0.904 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 1.2 | 172.2 | -76.9 | -175 | 178.6 | 176.5 | 0 | 114.8 | N834 | N834-K836 PolarHBondContact O-N 3.49Š|
| 837 | Q | 29.8 | Very low | 49 | Very low | 117 Ų | 117 | 86 Ų | 86 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | trans | -136.7 | 63.3 | -180 | -76.9 | 177.2 | -18 | 0 | 0 | 110.4 | N834 S839 Q840 | N834-Q837 PolarHBondContact O-N 2.93Å; N834-Q837 VanDerWaalsContact O-N 3.17Å; Q837-S839 PolarHBondContact O-N 3.16Å; Q837-Q840 HydrophobicContact CB-CB 4.47Å; Q837-Q840 VanDerWaalsContact NE2-OE1 3.15Å | ||
| 838 | S | 31.5 | Very low | 47.1 | Very low | 102 Ų | 102 | 93 Ų | 93 | 71% | 0.713 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 23.3 | 172.7 | -37 | 0 | 0 | 0 | 0 | 113.8 | ||
| 839 | S | 33.9 | Very low | 45.8 | Very low | 85 Ų | 85 | 93.2 Ų | 93.2 | 59% | 0.594 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | 16.8 | -176.8 | -54.2 | 0 | 0 | 0 | 0 | 114.1 | Q837 | Q837-S839 PolarHBondContact O-N 3.16Š|
| 840 | Q | 33.7 | Very low | 45.2 | Very low | 112 Ų | 112 | 91.7 Ų | 91.7 | 52% | 0.523 | 48% | 0.479 | S | S | . | . | trans | -128.4 | 86.7 | 178.8 | -74.4 | -171.6 | -15.8 | 0 | 0 | 110.6 | Q837 V842 | Q837-Q840 HydrophobicContact CB-CB 4.47Å; Q837-Q840 VanDerWaalsContact NE2-OE1 3.15Å; Q840-V842 HydrophobicContact CB-CG2 4.13Å; Q840-V842 PolarHBondContact O-N 3.27Å | ||
| 841 | L | 35.6 | Very low | 44.8 | Very low | 108 Ų | 108 | 95.5 Ų | 95.5 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | trans | -67.7 | 86.2 | 154.2 | -70.3 | 165.9 | 0 | 0 | 0 | 106.5 | Y843 R948 | L841-Y843 HydrophobicContact CB-CD2 4.2Å; L841-Y843 HydrophobicContact CB-CE2 4.16Å; L841-Y843 HydrophobicContact CD2-CE2 3.97Å; L841-Y843 HydrophobicContact CG-CE2 4.49Å; L841-R948 VanDerWaalsContact O-CZ 3.28Å; L841-R948 PolarHBondContact O-NE 3.11Å; L841-R948 PolarHBondContact O-NH1 3.14Å | ||
| 842 | V | 33.2 | Very low | 45.1 | Very low | 57 Ų | 57 | 96.1 Ų | 96.1 | 35% | 0.345 | 51% | 0.506 | S | S | . | . | trans | -97.3 | 85.7 | 167.6 | 174.4 | 0 | 0 | 0 | 0 | 106 | Q840 N844 Q847 | Q840-V842 HydrophobicContact CB-CG2 4.13Å; Q840-V842 PolarHBondContact O-N 3.27Å; V842-N844 VanDerWaalsContact CG1-OD1 3.3Å; V842-N844 WeakPolarHBondContact CG1-OD1 3.45Å; V842-N844 PolarHBondContact O-N 2.69Å; V842-Q847 PolarHBondContact O-NE2 3.31Å; V842-Q847 PolarHBondContact O-OE1 3.37Å | ||
| 843 | Y | 36.5 | Very low | 46.5 | Very low | 118 Ų | 118 | 94.4 Ų | 94.4 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | trans | -66 | 87.8 | 166.3 | -79.2 | -98.9 | 0 | 0 | 0 | 108.3 | L841 | L841-Y843 HydrophobicContact CB-CD2 4.2Å; L841-Y843 HydrophobicContact CB-CE2 4.16Å; L841-Y843 HydrophobicContact CD2-CE2 3.97Å; L841-Y843 HydrophobicContact CG-CE2 4.49Å | ||
| 844 | N | 31.9 | Very low | 48.2 | Very low | 94 Ų | 94 | 89.9 Ų | 89.9 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | trans | -95.7 | 141.4 | 156.8 | -67.7 | -10 | 0 | 0 | 0 | 105.7 | V842 Q846 Q847 | V842-N844 VanDerWaalsContact CG1-OD1 3.3Å; V842-N844 WeakPolarHBondContact CG1-OD1 3.45Å; V842-N844 PolarHBondContact O-N 2.69Å; N844-Q846 PolarHBondContact O-N 3.3Å; N844-Q847 WeakPolarHBondContact O-CB 3.32Å; N844-Q847 PolarHBondContact O-N 3.35Å | ||
| 845 | D | 35.7 | Very low | 50.1 | Low | 105 Ų | 105 | 88.1 Ų | 88.1 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -24.8 | -177.1 | -89.3 | -41.9 | 0 | 0 | 0 | 114.9 | Q847 K848 | D845-Q847 PolarHBondContact O-N 3.12Å; D845-K848 PolarHBondContact O-N 3.18Å; D845-K848 IonicContact OD1-NZ 3.02Å; D845-K848 PolarHBondContact OD1-NZ 2.99Å; D845-K848 VanDerWaalsContact OD1-NZ 3.11Å |
| 846 | Q | 39.6 | Very low | 52.5 | Low | 178 Ų | 178 | 82.1 Ų | 82.1 | 83% | 0.832 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.1 | -18 | 172.3 | -65.9 | -177.5 | -11.2 | 0 | 0 | 114.4 | N844 | N844-Q846 PolarHBondContact O-N 3.3Å |
| 847 | Q | 47.7 | Very low | 55.2 | Low | 47 Ų | 47 | 72.2 Ų | 72.2 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -81.4 | -24.7 | -179.1 | -68.1 | -159.4 | -2 | 0 | 0 | 113.8 | V842 N844 D845 G849 M850 H851 | V842-Q847 PolarHBondContact O-NE2 3.31Å; V842-Q847 PolarHBondContact O-OE1 3.37Å; N844-Q847 WeakPolarHBondContact O-CB 3.32Å; N844-Q847 PolarHBondContact O-N 3.35Å; D845-Q847 PolarHBondContact O-N 3.12Å; Q847-G849 VanDerWaalsContact C-N 3.31Å; Q847-G849 PolarHBondContact O-N 2.84Å; Q847-M850 HydrophobicContact CG-CE 4.43Å; Q847-M850 WeakPolarHBondContact O-CB 3.27Å; Q847-M850 PolarHBondContact O-N 3.47Å; Q847-H851 PolarHBondContact O-CD2 2.95Å; Q847-H851 VanDerWaalsContact O-CD2 3.3Å; Q847-H851 PolarHBondContact O-N 3Å |
| 848 | K | 49.1 | Very low | 58.2 | Low | 149 Ų | 149 | 66.7 Ų | 66.7 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -56.8 | -44.8 | -178.8 | -74.2 | 175.7 | 179.6 | 157.7 | 0 | 111.4 | D845 M850 H851 | D845-K848 PolarHBondContact O-N 3.18Å; D845-K848 IonicContact OD1-NZ 3.02Å; D845-K848 PolarHBondContact OD1-NZ 2.99Å; D845-K848 VanDerWaalsContact OD1-NZ 3.11Å; K848-M850 VanDerWaalsContact C-N 3.31Å; K848-M850 PolarHBondContact O-N 3.13Å; K848-H851 PolarHBondContact O-N 3.45Å |
| 849 | G | 57.2 | Low | 61.1 | Low | 39 Ų | 39 | 61.9 Ų | 61.9 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -29.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q847 H851 A853 | Q847-G849 VanDerWaalsContact C-N 3.31Å; Q847-G849 PolarHBondContact O-N 2.84Å; G849-H851 PolarHBondContact O-N 3.09Å; G849-A853 VanDerWaalsContact O-CB 3.25Å; G849-A853 WeakPolarHBondContact O-CB 3.26Å; G849-A853 PolarHBondContact O-N 3.1Å |
| 850 | M | 69.5 | Low | 63.9 | Low | 25 Ų | 25 | 57.8 Ų | 57.8 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.5 | -32.6 | -178.3 | -168.5 | 166.1 | 62.7 | 0 | 0 | 112.4 | L830 Q847 K848 R854 | L830-M850 HydrophobicContact CD2-CG 4.36Å; Q847-M850 HydrophobicContact CG-CE 4.43Å; Q847-M850 WeakPolarHBondContact O-CB 3.27Å; Q847-M850 PolarHBondContact O-N 3.47Å; K848-M850 VanDerWaalsContact C-N 3.31Å; K848-M850 PolarHBondContact O-N 3.13Å; M850-R854 WeakPolarHBondContact O-CB 3.17Å; M850-R854 VanDerWaalsContact O-CG 3.25Å; M850-R854 WeakPolarHBondContact O-CG 3.17Å; M850-R854 PolarHBondContact O-N 2.84Å |
| 851 | H | 72.6 | Confident | 66.7 | Low | 88 Ų | 88 | 52.5 Ų | 52.5 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.4 | -49.9 | 176.4 | -74.3 | -84 | 0 | 0 | 0 | 111.9 | Q847 K848 G849 A853 R854 Q855 | Q847-H851 PolarHBondContact O-CD2 2.95Å; Q847-H851 VanDerWaalsContact O-CD2 3.3Å; Q847-H851 PolarHBondContact O-N 3Å; K848-H851 PolarHBondContact O-N 3.45Å; G849-H851 PolarHBondContact O-N 3.09Å; H851-A853 VanDerWaalsContact C-N 3.31Å; H851-A853 PolarHBondContact O-N 3.15Å; H851-R854 PolarHBondContact O-N 3.27Å; H851-Q855 WeakPolarHBondContact O-CG 3.33Å; H851-Q855 PolarHBondContact O-N 2.86Å |
| 852 | G | 80.5 | Confident | 69.5 | Low | 25 Ų | 25 | 47.4 Ų | 47.4 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q855 S856 | G852-Q855 PolarHBondContact O-N 3.47Å; G852-S856 VanDerWaalsContact O-CB 3.3Å; G852-S856 WeakPolarHBondContact O-CB 3.5Å; G852-S856 PolarHBondContact O-N 3.44Å |
| 853 | A | 86 | Confident | 72.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V790 A793 T794 L830 G849 H851 L857 | V790-A853 HydrophobicContact CG1-CB 4.18Å; A793-A853 HydrophobicContact CB-CB 3.7Å; T794-A853 WeakPolarHBondContact OG1-CA 3.3Å; T794-A853 PolarHBondContact OG1-N 3.38Å; L830-A853 HydrophobicContact CD1-CB 3.86Å; G849-A853 VanDerWaalsContact O-CB 3.25Å; G849-A853 WeakPolarHBondContact O-CB 3.26Å; G849-A853 PolarHBondContact O-N 3.1Å; H851-A853 VanDerWaalsContact C-N 3.31Å; H851-A853 PolarHBondContact O-N 3.15Å; A853-L857 WeakPolarHBondContact O-CG 3.31Å; A853-L857 PolarHBondContact O-N 3.46Å; A853-L857 VanDerWaalsContact O-N 3.12Å |
| 854 | R | 86.8 | Confident | 74.8 | Confident | 28 Ų | 28 | 40 Ų | 40 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 175.9 | -75.6 | 172.9 | -178.8 | 169.1 | 0.9 | 111.1 | L827 L830 N834 M850 H851 L857 L858 | L827-R854 HydrophobicContact CD1-CB 4.44Å; L827-R854 HydrophobicContact CD1-CG 4.5Å; L830-R854 HydrophobicContact CB-CG 3.7Å; L830-R854 HydrophobicContact CD1-CG 4.06Å; L830-R854 PolarHBondContact O-NE 3.36Å; L830-R854 PolarHBondContact O-NH2 3.24Å; N834-R854 PolarHBondContact ND2-NH1 2.93Å; N834-R854 PolarHBondContact ND2-NH2 3.32Å; M850-R854 WeakPolarHBondContact O-CB 3.17Å; M850-R854 VanDerWaalsContact O-CG 3.25Å; M850-R854 WeakPolarHBondContact O-CG 3.17Å; M850-R854 PolarHBondContact O-N 2.84Å; H851-R854 PolarHBondContact O-N 3.27Å; R854-L857 PolarHBondContact O-N 2.98Å; R854-L858 WeakPolarHBondContact O-CB 3.39Å; R854-L858 PolarHBondContact O-N 2.88Å |
| 855 | Q | 86.9 | Confident | 77.7 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 179.5 | -76.3 | 176.3 | -34.9 | 0 | 0 | 112.2 | H851 G852 L858 F859 Y901 Y902 | H851-Q855 WeakPolarHBondContact O-CG 3.33Å; H851-Q855 PolarHBondContact O-N 2.86Å; G852-Q855 PolarHBondContact O-N 3.47Å; Q855-L858 PolarHBondContact O-N 3.38Å; Q855-F859 VanDerWaalsContact O-CB 3.29Å; Q855-F859 WeakPolarHBondContact O-CB 3.23Å; Q855-F859 PolarHBondContact O-N 2.89Å; Q855-Y901 VanDerWaalsContact NE2-CB 3.32Å; Q855-Y901 PolarHBondContact NE2-O 3Å; Q855-Y902 HydrophobicContact CB-CE1 4.21Å; Q855-Y902 PolarHBondContact O-OH 3.28Å; Q855-Y902 VanDerWaalsContact O-OH 3.12Å |
| 856 | S | 89.8 | Confident | 80.3 | Confident | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | T794 G797 K798 G852 F859 | T794-S856 PolarHBondContact O-OG 3.4Å; G797-S856 VanDerWaalsContact CA-OG 3.3Å; G797-S856 WeakPolarHBondContact CA-OG 3.35Å; K798-S856 PolarHBondContact N-OG 2.88Å; K798-S856 VanDerWaalsContact N-OG 3.11Å; G852-S856 VanDerWaalsContact O-CB 3.3Å; G852-S856 WeakPolarHBondContact O-CB 3.5Å; G852-S856 PolarHBondContact O-N 3.44Å; S856-F859 PolarHBondContact O-N 3.5Å |
| 857 | L | 92.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -39.8 | 176.7 | -69.5 | 174 | 0 | 0 | 0 | 112.4 | L784 A793 A796 V823 R826 L827 L830 A853 R854 F859 V860 | L784-L857 HydrophobicContact CD2-CD2 3.49Å; L784-L857 VanDerWaalsContact CD2-CD2 3.49Å; A793-L857 HydrophobicContact CB-CD1 3.92Å; A793-L857 HydrophobicContact CB-CG 4.45Å; A796-L857 HydrophobicContact CB-CD2 4.49Å; V823-L857 HydrophobicContact CG1-CB 4.27Å; V823-L857 HydrophobicContact CG1-CD2 4.14Å; V823-L857 WeakPolarHBondContact CG1-O 3.33Å; R826-L857 HydrophobicContact CB-CD1 3.98Å; R826-L857 HydrophobicContact CG-CD1 3.69Å; L827-L857 HydrophobicContact CB-CB 4.3Å; L827-L857 HydrophobicContact CB-CD1 4.35Å; L827-L857 HydrophobicContact CD1-CB 4.17Å; L830-L857 HydrophobicContact CD1-CD1 3.84Å; A853-L857 WeakPolarHBondContact O-CG 3.31Å; A853-L857 PolarHBondContact O-N 3.46Å; A853-L857 VanDerWaalsContact O-N 3.12Å; R854-L857 PolarHBondContact O-N 2.98Å; L857-F859 VanDerWaalsContact C-N 3.29Å; L857-F859 PolarHBondContact O-N 3.05Å; L857-V860 WeakPolarHBondContact O-CB 3.47Å; L857-V860 PolarHBondContact O-N 3.2Å |
| 858 | L | 92.2 | Very high | 84.3 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -37.8 | 176.2 | -176.4 | 63.9 | 0 | 0 | 0 | 111.4 | L827 R854 Q855 V860 I861 I862 I891 I894 W895 C898 | L827-L858 HydrophobicContact CD2-CD1 4.23Å; R854-L858 WeakPolarHBondContact O-CB 3.39Å; R854-L858 PolarHBondContact O-N 2.88Å; Q855-L858 PolarHBondContact O-N 3.38Å; L858-V860 PolarHBondContact O-N 3.12Å; L858-I861 WeakPolarHBondContact O-CA 3.39Å; L858-I861 WeakPolarHBondContact O-CB 3.5Å; L858-I861 PolarHBondContact O-N 3.39Å; L858-I862 HydrophobicContact CD2-CD1 4.45Å; L858-I862 HydrophobicContact CG-CD1 4.04Å; L858-I862 HydrophobicContact CG-CG1 4.36Å; L858-I862 WeakPolarHBondContact O-CG1 3.36Å; L858-I862 PolarHBondContact O-N 3.25Å; L858-I891 HydrophobicContact CD1-CG2 4.02Å; L858-I894 HydrophobicContact CD2-CG2 3.89Å; L858-W895 HydrophobicContact CD1-CB 4.4Å; L858-W895 HydrophobicContact CD2-CB 4.23Å; L858-C898 HydrophobicContact CD2-CB 4.01Å |
| 859 | F | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -32.1 | 178.5 | -168.3 | -103.5 | 0 | 0 | 0 | 112.8 | Y801 Q855 S856 L857 I861 I862 L863 Y902 Y906 E907 V910 | Y801-F859 AromaticContact CD1-CD1 3.74Å; Y801-F859 HydrophobicContact CD1-CD1 3.74Å; Y801-F859 HydrophobicContact CD1-CE1 4.32Å; Y801-F859 AromaticContact CE1-CD1 3.88Å; Y801-F859 HydrophobicContact CE1-CD1 3.88Å; Y801-F859 HydrophobicContact CE1-CE1 4.29Å; Y801-F859 HydrophobicContact CG-CD1 4.18Å; Y801-F859 HydrophobicContact CG-CE1 4.45Å; Q855-F859 VanDerWaalsContact O-CB 3.29Å; Q855-F859 WeakPolarHBondContact O-CB 3.23Å; Q855-F859 PolarHBondContact O-N 2.89Å; S856-F859 PolarHBondContact O-N 3.5Å; L857-F859 VanDerWaalsContact C-N 3.29Å; L857-F859 PolarHBondContact O-N 3.05Å; F859-I861 VanDerWaalsContact C-N 3.27Å; F859-I861 PolarHBondContact O-N 3.04Å; F859-I862 HydrophobicContact CD2-CD1 4.47Å; F859-I862 PolarHBondContact O-N 3.5Å; F859-L863 WeakPolarHBondContact O-CB 3.37Å; F859-L863 PolarHBondContact O-N 3.45Å; F859-Y902 HydrophobicContact CD2-CE1 4.09Å; F859-Y906 HydrophobicContact CE1-CD1 4.49Å; F859-Y906 HydrophobicContact CE1-CE1 4.01Å; F859-Y906 HydrophobicContact CZ-CD1 4.15Å; F859-Y906 AromaticContact CZ-CE1 3.89Å; F859-Y906 HydrophobicContact CZ-CE1 3.89Å; F859-E907 HydrophobicContact CD2-CB 4.19Å; F859-E907 HydrophobicContact CD2-CG 4.21Å; F859-E907 HydrophobicContact CE1-CG 4.25Å; F859-E907 HydrophobicContact CE2-CB 3.65Å; F859-E907 HydrophobicContact CE2-CG 3.8Å; F859-E907 HydrophobicContact CZ-CB 4.06Å; F859-E907 HydrophobicContact CZ-CG 3.81Å; F859-V910 HydrophobicContact CE2-CB 3.97Å; F859-V910 HydrophobicContact CE2-CG1 3.83Å; F859-V910 HydrophobicContact CZ-CB 3.76Å; F859-V910 HydrophobicContact CZ-CG1 3.64Å; F859-V910 HydrophobicContact CZ-CG2 4.17Å |
| 860 | V | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 172 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | G797 A800 L804 L820 V823 L857 L858 L864 | G797-V860 WeakPolarHBondContact O-CG2 3.43Å; A800-V860 HydrophobicContact CB-CG1 4.21Å; A800-V860 HydrophobicContact CB-CG2 3.91Å; L804-V860 HydrophobicContact CD1-CG1 3.56Å; L820-V860 HydrophobicContact CD2-CG1 4.41Å; V823-V860 HydrophobicContact CG1-CB 4.1Å; V823-V860 HydrophobicContact CG1-CG1 4.44Å; V823-V860 HydrophobicContact CG1-CG2 4.27Å; V823-V860 HydrophobicContact CG2-CG1 4.32Å; V823-V860 HydrophobicContact CG2-CG2 4.48Å; L857-V860 WeakPolarHBondContact O-CB 3.47Å; L857-V860 PolarHBondContact O-N 3.2Å; L858-V860 PolarHBondContact O-N 3.12Å; V860-L864 PolarHBondContact O-N 3.37Å; V860-L864 VanDerWaalsContact O-N 3.15Å |
| 861 | I | 92.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.8 | -39.2 | 179 | -54.2 | -60.4 | 0 | 0 | 0 | 111 | L820 V823 L824 L858 F859 L863 L864 F865 L876 I891 | L820-I861 HydrophobicContact CD2-CD1 4.33Å; V823-I861 HydrophobicContact CG1-CD1 4.42Å; L824-I861 HydrophobicContact CD2-CD1 3.93Å; L824-I861 HydrophobicContact CD2-CG1 4.19Å; L824-I861 HydrophobicContact CG-CD1 4.2Å; L858-I861 WeakPolarHBondContact O-CA 3.39Å; L858-I861 WeakPolarHBondContact O-CB 3.5Å; L858-I861 PolarHBondContact O-N 3.39Å; F859-I861 VanDerWaalsContact C-N 3.27Å; F859-I861 PolarHBondContact O-N 3.04Å; I861-L863 VanDerWaalsContact C-N 3.31Å; I861-L863 PolarHBondContact O-N 3.37Å; I861-L864 WeakPolarHBondContact O-CA 3.25Å; I861-L864 WeakPolarHBondContact O-CB 3.39Å; I861-L864 PolarHBondContact O-N 2.99Å; I861-L864 VanDerWaalsContact O-N 3.1Å; I861-F865 HydrophobicContact CG2-CD2 4Å; I861-F865 HydrophobicContact CG2-CE2 3.78Å; I861-F865 VanDerWaalsContact O-CD2 3.29Å; I861-F865 WeakPolarHBondContact O-CD2 3.37Å; I861-F865 PolarHBondContact O-N 3.4Å; I861-L876 HydrophobicContact CG2-CD1 3.94Å; I861-I891 HydrophobicContact CG2-CG2 3.97Å |
| 862 | I | 93 | Very high | 89.4 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 173.9 | -65.3 | 171.9 | 0 | 0 | 0 | 110.5 | L858 F859 L864 F865 R866 W895 Y902 V910 A914 | L858-I862 HydrophobicContact CD2-CD1 4.45Å; L858-I862 HydrophobicContact CG-CD1 4.04Å; L858-I862 HydrophobicContact CG-CG1 4.36Å; L858-I862 WeakPolarHBondContact O-CG1 3.36Å; L858-I862 PolarHBondContact O-N 3.25Å; F859-I862 HydrophobicContact CD2-CD1 4.47Å; F859-I862 PolarHBondContact O-N 3.5Å; I862-L864 VanDerWaalsContact C-N 3.29Å; I862-L864 PolarHBondContact O-N 3.31Å; I862-F865 WeakPolarHBondContact O-CA 3.15Å; I862-F865 WeakPolarHBondContact O-CB 3.37Å; I862-F865 PolarHBondContact O-N 2.85Å; I862-F865 VanDerWaalsContact O-N 3.09Å; I862-R866 PolarHBondContact O-N 2.77Å; I862-W895 HydrophobicContact CB-CZ2 4.31Å; I862-W895 HydrophobicContact CD1-CD2 4.15Å; I862-W895 HydrophobicContact CD1-CG 3.95Å; I862-W895 HydrophobicContact CD1-CZ2 4.47Å; I862-W895 VanDerWaalsContact CD1-NE1 3.3Å; I862-W895 HydrophobicContact CG1-CD2 3.78Å; I862-W895 HydrophobicContact CG1-CE3 4.36Å; I862-W895 HydrophobicContact CG1-CG 4.01Å; I862-W895 HydrophobicContact CG1-CZ2 3.99Å; I862-W895 HydrophobicContact CG2-CH2 4.26Å; I862-W895 HydrophobicContact CG2-CZ2 3.64Å; I862-Y902 HydrophobicContact CD1-CE2 3.86Å; I862-Y902 VanDerWaalsContact CD1-OH 3.31Å; I862-Y902 WeakPolarHBondContact CD1-OH 3.18Å; I862-V910 HydrophobicContact CG2-CG1 4.41Å; I862-A914 HydrophobicContact CG2-CB 3.95Å |
| 863 | L | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 175.1 | -177.5 | 67.5 | 0 | 0 | 0 | 111.3 | L804 L805 F859 I861 F865 R866 I867 V910 | L804-L863 HydrophobicContact CB-CD2 4.37Å; L805-L863 HydrophobicContact CD1-CD2 4.38Å; L805-L863 HydrophobicContact CD2-CD1 3.9Å; L805-L863 HydrophobicContact CD2-CD2 3.79Å; L805-L863 HydrophobicContact CD2-CG 4.41Å; L805-L863 HydrophobicContact CG-CD2 3.73Å; F859-L863 WeakPolarHBondContact O-CB 3.37Å; F859-L863 PolarHBondContact O-N 3.45Å; I861-L863 VanDerWaalsContact C-N 3.31Å; I861-L863 PolarHBondContact O-N 3.37Å; L863-F865 VanDerWaalsContact C-N 3.32Å; L863-F865 PolarHBondContact O-N 3.18Å; L863-R866 WeakPolarHBondContact O-CB 3.43Å; L863-R866 PolarHBondContact O-N 3.22Å; L863-R866 VanDerWaalsContact O-N 3.13Å; L863-I867 HydrophobicContact CD1-CD1 3.91Å; L863-I867 HydrophobicContact CD1-CG1 4.16Å; L863-I867 HydrophobicContact CD2-CD1 4.14Å; L863-I867 HydrophobicContact CG-CD1 3.73Å; L863-I867 HydrophobicContact CG-CG1 4.29Å; L863-I867 WeakPolarHBondContact O-CG1 3.45Å; L863-I867 PolarHBondContact O-N 2.93Å; L863-V910 HydrophobicContact CD1-CG1 4.11Å |
| 864 | L | 90.5 | Very high | 90.1 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 11% | 0.105 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 174.5 | -170.9 | 67.6 | 0 | 0 | 0 | 112 | L820 V860 I861 I862 R866 I867 R868 A872 | L820-L864 HydrophobicContact CD1-CD2 3.83Å; L820-L864 HydrophobicContact CD2-CD2 4.15Å; V860-L864 PolarHBondContact O-N 3.37Å; V860-L864 VanDerWaalsContact O-N 3.15Å; I861-L864 WeakPolarHBondContact O-CA 3.25Å; I861-L864 WeakPolarHBondContact O-CB 3.39Å; I861-L864 PolarHBondContact O-N 2.99Å; I861-L864 VanDerWaalsContact O-N 3.1Å; I862-L864 VanDerWaalsContact C-N 3.29Å; I862-L864 PolarHBondContact O-N 3.31Å; L864-R866 VanDerWaalsContact C-N 3.3Å; L864-R866 PolarHBondContact O-N 3.4Å; L864-I867 PolarHBondContact O-N 2.89Å; L864-R868 CarbonylContact O-C 3.49Å; L864-R868 VanDerWaalsContact O-C 3.29Å; L864-R868 WeakPolarHBondContact O-CA 3.35Å; L864-R868 PolarHBondContact O-N 3.48Å; L864-A872 HydrophobicContact CB-CB 4.45Å; L864-A872 HydrophobicContact CD2-CB 3.97Å; L864-A872 HydrophobicContact CG-CB 3.87Å |
| 865 | F | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -35.3 | 172.5 | -83.5 | -72.2 | 0 | 0 | 0 | 112.6 | I861 I862 L863 T869 A872 I873 L876 L888 L892 W895 A914 L918 | I861-F865 HydrophobicContact CG2-CD2 4Å; I861-F865 HydrophobicContact CG2-CE2 3.78Å; I861-F865 VanDerWaalsContact O-CD2 3.29Å; I861-F865 WeakPolarHBondContact O-CD2 3.37Å; I861-F865 PolarHBondContact O-N 3.4Å; I862-F865 WeakPolarHBondContact O-CA 3.15Å; I862-F865 WeakPolarHBondContact O-CB 3.37Å; I862-F865 PolarHBondContact O-N 2.85Å; I862-F865 VanDerWaalsContact O-N 3.09Å; L863-F865 VanDerWaalsContact C-N 3.32Å; L863-F865 PolarHBondContact O-N 3.18Å; F865-T869 HydrophobicContact CD1-CG2 4.19Å; F865-T869 WeakPolarHBondContact O-CA 3.34Å; F865-T869 WeakPolarHBondContact O-CB 3.46Å; F865-T869 PolarHBondContact O-N 3.41Å; F865-T869 PolarHBondContact O-OG1 3.18Å; F865-A872 HydrophobicContact CD1-CB 3.77Å; F865-A872 HydrophobicContact CD2-CB 4.41Å; F865-A872 HydrophobicContact CE1-CB 3.91Å; F865-A872 HydrophobicContact CG-CB 4.04Å; F865-A872 HydrophobicContact CZ-CB 4.29Å; F865-I873 HydrophobicContact CE1-CG1 3.78Å; F865-L876 HydrophobicContact CE2-CD1 3.69Å; F865-L876 HydrophobicContact CZ-CD1 3.61Å; F865-L888 HydrophobicContact CZ-CD1 4.05Å; F865-L892 HydrophobicContact CE1-CD2 4.4Å; F865-L892 HydrophobicContact CE2-CD2 3.96Å; F865-L892 HydrophobicContact CZ-CD2 3.72Å; F865-W895 HydrophobicContact CB-CH2 4.3Å; F865-W895 HydrophobicContact CB-CZ3 4.26Å; F865-W895 HydrophobicContact CD2-CE3 4.37Å; F865-W895 AromaticContact CD2-CZ3 3.83Å; F865-W895 HydrophobicContact CD2-CZ3 3.83Å; F865-W895 HydrophobicContact CE2-CZ3 4.34Å; F865-W895 HydrophobicContact CG-CZ3 4.05Å; F865-A914 HydrophobicContact CB-CB 4.42Å; F865-L918 HydrophobicContact CD1-CD1 3.95Å; F865-L918 HydrophobicContact CD1-CD2 4.36Å; F865-L918 HydrophobicContact CE1-CD1 3.86Å; F865-L918 HydrophobicContact CE1-CD2 4.23Å |
| 866 | R | 90.4 | Very high | 90.4 | Very high | 52 Ų | 52 | 28.7 Ų | 28.7 | 20% | 0.196 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.4 | -51.9 | 173.7 | 179.4 | -178.9 | 165 | -133.2 | -3.1 | 112.1 | I862 L863 L864 A914 D1083 | I862-R866 PolarHBondContact O-N 2.77Å; L863-R866 WeakPolarHBondContact O-CB 3.43Å; L863-R866 PolarHBondContact O-N 3.22Å; L863-R866 VanDerWaalsContact O-N 3.13Å; L864-R866 VanDerWaalsContact C-N 3.3Å; L864-R866 PolarHBondContact O-N 3.4Å; R866-A914 HydrophobicContact CB-CB 4.07Å; R866-D1083 IonicContact CZ-OD1 3.84Å; R866-D1083 IonicContact CZ-OD2 2.9Å; R866-D1083 IonicContact NH1-OD1 3.21Å; R866-D1083 IonicContact NH1-OD2 2.91Å; R866-D1083 PolarHBondContact NH1-OD2 2.96Å; R866-D1083 IonicContact NH2-OD1 2.66Å; R866-D1083 PolarHBondContact NH2-OD1 2.84Å; R866-D1083 IonicContact NH2-OD2 2.73Å; R866-D1083 PolarHBondContact NH2-OD2 3.23Å |
| 867 | I | 85.8 | Confident | 90.3 | Very high | 84 Ų | 84 | 30 Ų | 30 | 43% | 0.431 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -77.3 | -39.9 | -171.9 | -55 | 171.1 | 0 | 0 | 0 | 111.1 | L805 L863 L864 | L805-I867 HydrophobicContact CD2-CD1 4.39Å; L863-I867 HydrophobicContact CD1-CD1 3.91Å; L863-I867 HydrophobicContact CD1-CG1 4.16Å; L863-I867 HydrophobicContact CD2-CD1 4.14Å; L863-I867 HydrophobicContact CG-CD1 3.73Å; L863-I867 HydrophobicContact CG-CG1 4.29Å; L863-I867 WeakPolarHBondContact O-CG1 3.45Å; L863-I867 PolarHBondContact O-N 2.93Å; L864-I867 PolarHBondContact O-N 2.89Å |
| 868 | R | 86.9 | Confident | 90 | Very high | 105 Ų | 105 | 34.8 Ų | 34.8 | 40% | 0.396 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -145.7 | 62.4 | -172.7 | -57.7 | -175.8 | -179.3 | 171.8 | 1 | 112.8 | L864 K870 L871 A872 | L864-R868 CarbonylContact O-C 3.49Å; L864-R868 VanDerWaalsContact O-C 3.29Å; L864-R868 WeakPolarHBondContact O-CA 3.35Å; L864-R868 PolarHBondContact O-N 3.48Å; R868-K870 VanDerWaalsContact C-N 3.35Å; R868-K870 PolarHBondContact O-N 2.99Å; R868-K870 VanDerWaalsContact O-N 3.15Å; R868-L871 HydrophobicContact CB-CB 4.07Å; R868-L871 HydrophobicContact CB-CD1 4.1Å; R868-L871 HydrophobicContact CG-CD1 4.36Å; R868-L871 PolarHBondContact O-N 3.3Å; R868-A872 PolarHBondContact O-N 3.05Å |
| 869 | T | 89.7 | Confident | 89.6 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -44.1 | -52.4 | -176.2 | -39.1 | 0 | 0 | 0 | 0 | 113.8 | F865 L871 A872 I873 L918 H921 | F865-T869 HydrophobicContact CD1-CG2 4.19Å; F865-T869 WeakPolarHBondContact O-CA 3.34Å; F865-T869 WeakPolarHBondContact O-CB 3.46Å; F865-T869 PolarHBondContact O-N 3.41Å; F865-T869 PolarHBondContact O-OG1 3.18Å; T869-L871 PolarHBondContact O-N 3.26Å; T869-A872 WeakPolarHBondContact O-CB 3.5Å; T869-A872 PolarHBondContact O-N 2.91Å; T869-I873 HydrophobicContact CG2-CD1 4.16Å; T869-I873 VanDerWaalsContact O-CG1 3.28Å; T869-I873 WeakPolarHBondContact O-CG1 3.45Å; T869-I873 PolarHBondContact O-N 3.48Å; T869-L918 HydrophobicContact CG2-CD1 3.89Å; T869-H921 HydrophobicContact CG2-CB 4.16Å |
| 870 | K | 89.2 | Confident | 89.2 | Confident | 130 Ų | 130 | 40.1 Ų | 40.1 | 57% | 0.565 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -61.4 | -43.3 | -178.3 | -175.6 | -179.5 | 177.2 | -177.1 | 0 | 112.9 | R868 A872 I873 D874 | R868-K870 VanDerWaalsContact C-N 3.35Å; R868-K870 PolarHBondContact O-N 2.99Å; R868-K870 VanDerWaalsContact O-N 3.15Å; K870-A872 VanDerWaalsContact C-N 3.35Å; K870-I873 PolarHBondContact O-N 3.03Å; K870-D874 WeakPolarHBondContact O-CB 3.43Å; K870-D874 VanDerWaalsContact O-CG 3.26Å; K870-D874 PolarHBondContact O-N 3.1Å |
| 871 | L | 86.3 | Confident | 88.3 | Confident | 100 Ų | 100 | 41.8 Ų | 41.8 | 52% | 0.524 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.2 | -35.5 | 179.8 | -75.1 | 164.4 | 0 | 0 | 0 | 111.3 | R868 T869 D874 F875 | R868-L871 HydrophobicContact CB-CB 4.07Å; R868-L871 HydrophobicContact CB-CD1 4.1Å; R868-L871 HydrophobicContact CG-CD1 4.36Å; R868-L871 PolarHBondContact O-N 3.3Å; T869-L871 PolarHBondContact O-N 3.26Å; L871-D874 PolarHBondContact O-N 3.34Å; L871-F875 WeakPolarHBondContact O-CB 3.35Å; L871-F875 PolarHBondContact O-N 3.47Å |
| 872 | A | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L864 F865 R868 T869 K870 F875 L876 | L864-A872 HydrophobicContact CB-CB 4.45Å; L864-A872 HydrophobicContact CD2-CB 3.97Å; L864-A872 HydrophobicContact CG-CB 3.87Å; F865-A872 HydrophobicContact CD1-CB 3.77Å; F865-A872 HydrophobicContact CD2-CB 4.41Å; F865-A872 HydrophobicContact CE1-CB 3.91Å; F865-A872 HydrophobicContact CG-CB 4.04Å; F865-A872 HydrophobicContact CZ-CB 4.29Å; R868-A872 PolarHBondContact O-N 3.05Å; T869-A872 WeakPolarHBondContact O-CB 3.5Å; T869-A872 PolarHBondContact O-N 2.91Å; K870-A872 VanDerWaalsContact C-N 3.35Å; A872-F875 PolarHBondContact O-N 2.71Å; A872-L876 WeakPolarHBondContact O-CB 3.49Å; A872-L876 VanDerWaalsContact O-CG 3.31Å; A872-L876 WeakPolarHBondContact O-CG 3.35Å; A872-L876 PolarHBondContact O-N 3.39Å |
| 873 | I | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 178.2 | -59.2 | 162.7 | 0 | 0 | 0 | 110.4 | F865 T869 K870 F875 S877 L888 L918 I930 | F865-I873 HydrophobicContact CE1-CG1 3.78Å; T869-I873 HydrophobicContact CG2-CD1 4.16Å; T869-I873 VanDerWaalsContact O-CG1 3.28Å; T869-I873 WeakPolarHBondContact O-CG1 3.45Å; T869-I873 PolarHBondContact O-N 3.48Å; K870-I873 PolarHBondContact O-N 3.03Å; I873-F875 PolarHBondContact O-N 3.11Å; I873-S877 VanDerWaalsContact O-CB 3.29Å; I873-S877 WeakPolarHBondContact O-CB 3.34Å; I873-S877 PolarHBondContact O-N 3.24Å; I873-S877 PolarHBondContact O-OG 3.27Å; I873-L888 HydrophobicContact CG2-CD2 3.96Å; I873-L918 HydrophobicContact CD1-CD1 4.01Å; I873-L918 HydrophobicContact CG1-CD1 4.3Å; I873-I930 HydrophobicContact CD1-CD1 3.68Å; I873-I930 HydrophobicContact CG1-CD1 4.08Å; I873-I930 HydrophobicContact CG2-CD1 4.46Å |
| 874 | D | 89.9 | Confident | 85.4 | Confident | 57 Ų | 57 | 56 Ų | 56 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | -179.6 | -68.6 | -17.7 | 0 | 0 | 0 | 111.3 | K870 L871 S877 T878 R929 | K870-D874 WeakPolarHBondContact O-CB 3.43Å; K870-D874 VanDerWaalsContact O-CG 3.26Å; K870-D874 PolarHBondContact O-N 3.1Å; L871-D874 PolarHBondContact O-N 3.34Å; D874-S877 WeakPolarHBondContact O-CB 3.28Å; D874-S877 PolarHBondContact O-N 3.41Å; D874-T878 WeakPolarHBondContact O-CG2 3.27Å; D874-T878 PolarHBondContact O-N 3.11Å; D874-R929 IonicContact OD1-CZ 3.34Å; D874-R929 IonicContact OD1-NH1 3.93Å; D874-R929 PolarHBondContact OD1-NH1 2.96Å; D874-R929 IonicContact OD1-NH2 2.62Å; D874-R929 PolarHBondContact OD1-NH2 3.43Å |
| 875 | F | 88.6 | Confident | 84.9 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 10% | 0.101 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -53.2 | 177.6 | 176.2 | -105.5 | 0 | 0 | 0 | 112.2 | L820 R821 L824 L871 A872 I873 S877 T878 I879 | L820-F875 HydrophobicContact CB-CE1 3.64Å; L820-F875 HydrophobicContact CB-CE2 4.38Å; L820-F875 HydrophobicContact CB-CZ 3.46Å; L820-F875 VanDerWaalsContact CB-CZ 3.46Å; L820-F875 HydrophobicContact CD1-CD1 4.46Å; L820-F875 HydrophobicContact CD1-CE1 4.16Å; L820-F875 HydrophobicContact CD1-CZ 4.24Å; L820-F875 HydrophobicContact CG-CE1 4.48Å; R821-F875 HydrophobicContact CG-CE2 4.45Å; R821-F875 HydrophobicContact CG-CZ 4.09Å; L824-F875 HydrophobicContact CD1-CD1 4.41Å; L824-F875 HydrophobicContact CD1-CE1 3.54Å; L824-F875 HydrophobicContact CD1-CZ 4.18Å; L871-F875 WeakPolarHBondContact O-CB 3.35Å; L871-F875 PolarHBondContact O-N 3.47Å; A872-F875 PolarHBondContact O-N 2.71Å; I873-F875 PolarHBondContact O-N 3.11Å; F875-S877 PolarHBondContact O-N 3.18Å; F875-T878 PolarHBondContact O-N 3.24Å; F875-T878 PolarHBondContact O-OG1 2.93Å; F875-I879 HydrophobicContact CD1-CD1 4.25Å; F875-I879 HydrophobicContact CD2-CD1 4.44Å; F875-I879 HydrophobicContact CE1-CD1 3.67Å; F875-I879 HydrophobicContact CE2-CD1 3.88Å; F875-I879 HydrophobicContact CZ-CD1 3.46Å; F875-I879 VanDerWaalsContact CZ-CD1 3.46Å |
| 876 | L | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.4 | -23.1 | 178.3 | -64.6 | 174.1 | 0 | 0 | 0 | 112.5 | L824 I861 F865 A872 T878 I887 L888 I891 | L824-L876 HydrophobicContact CD1-CD2 3.77Å; L824-L876 HydrophobicContact CD2-CD2 3.92Å; L824-L876 HydrophobicContact CG-CD2 4.47Å; I861-L876 HydrophobicContact CG2-CD1 3.94Å; F865-L876 HydrophobicContact CE2-CD1 3.69Å; F865-L876 HydrophobicContact CZ-CD1 3.61Å; A872-L876 WeakPolarHBondContact O-CB 3.49Å; A872-L876 VanDerWaalsContact O-CG 3.31Å; A872-L876 WeakPolarHBondContact O-CG 3.35Å; A872-L876 PolarHBondContact O-N 3.39Å; L876-T878 VanDerWaalsContact C-N 3.29Å; L876-I887 HydrophobicContact CB-CG2 4.31Å; L876-I887 HydrophobicContact CD2-CG2 3.99Å; L876-I887 WeakPolarHBondContact O-CG2 3.42Å; L876-L888 HydrophobicContact CB-CB 4.02Å; L876-L888 HydrophobicContact CB-CD1 3.93Å; L876-L888 HydrophobicContact CD1-CD1 3.91Å; L876-I891 HydrophobicContact CD1-CG2 4.32Å; L876-I891 HydrophobicContact CD2-CG1 4.43Å |
| 877 | S | 88.3 | Confident | 84.4 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72 | -22.4 | 173.2 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | I873 D874 F875 R929 | I873-S877 VanDerWaalsContact O-CB 3.29Å; I873-S877 WeakPolarHBondContact O-CB 3.34Å; I873-S877 PolarHBondContact O-N 3.24Å; I873-S877 PolarHBondContact O-OG 3.27Å; D874-S877 WeakPolarHBondContact O-CB 3.28Å; D874-S877 PolarHBondContact O-N 3.41Å; F875-S877 PolarHBondContact O-N 3.18Å; S877-R929 PolarHBondContact OG-NH1 3.38Å |
| 878 | T | 86.9 | Confident | 84.6 | Confident | 102 Ų | 102 | 58 Ų | 58 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -88.1 | -16.6 | -178 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | D874 F875 L876 | D874-T878 WeakPolarHBondContact O-CG2 3.27Å; D874-T878 PolarHBondContact O-N 3.11Å; F875-T878 PolarHBondContact O-N 3.24Å; F875-T878 PolarHBondContact O-OG1 2.93Å; L876-T878 VanDerWaalsContact C-N 3.29Å |
| 879 | I | 84.5 | Confident | 84.7 | Confident | 30 Ų | 30 | 57 Ų | 57 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -100.5 | 121.4 | -175.2 | -61.8 | 173 | 0 | 0 | 0 | 108.7 | R821 L824 F875 I887 | R821-I879 HydrophobicContact CG-CD1 4.2Å; L824-I879 HydrophobicContact CD1-CD1 3.49Å; L824-I879 VanDerWaalsContact CD1-CD1 3.49Å; F875-I879 HydrophobicContact CD1-CD1 4.25Å; F875-I879 HydrophobicContact CD2-CD1 4.44Å; F875-I879 HydrophobicContact CE1-CD1 3.67Å; F875-I879 HydrophobicContact CE2-CD1 3.88Å; F875-I879 HydrophobicContact CZ-CD1 3.46Å; F875-I879 VanDerWaalsContact CZ-CD1 3.46Å; I879-I887 HydrophobicContact CB-CG2 4.07Å; I879-I887 HydrophobicContact CG2-CG2 4.21Å; I879-I887 PolarHBondContact O-N 3.03Å |
| 880 | P | 81.9 | Confident | 84.5 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 145.2 | 175.1 | 31 | -32.7 | 0 | 0 | 0 | 111.5 | K885 | P880-K885 CarbonylContact C-O 3.5Å; P880-K885 VanDerWaalsContact CA-O 3.3Å; P880-K885 WeakPolarHBondContact CA-O 3.39Å |
| 881 | D | 74.4 | Confident | 84.5 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | trans | -73.5 | -175.6 | 164.9 | 71.5 | -3 | 0 | 0 | 0 | 111.1 | S883 G884 K885 I887 E890 | D881-S883 PolarHBondContact O-N 3.41Å; D881-S883 WeakPolarHBondContact OD1-CA 3.44Å; D881-S883 WeakPolarHBondContact OD1-CB 3.46Å; D881-S883 PolarHBondContact OD1-N 3Å; D881-S883 PolarHBondContact OD1-OG 3.49Å; D881-S883 PolarHBondContact OD2-OG 3.02Å; D881-G884 PolarHBondContact O-N 2.86Å; D881-G884 PolarHBondContact OD1-N 3.44Å; D881-K885 VanDerWaalsContact CG-O 3.27Å; D881-K885 PolarHBondContact N-O 3.39Å; D881-K885 PolarHBondContact OD1-N 2.85Å; D881-K885 VanDerWaalsContact OD1-O 3.08Å; D881-I887 HydrophobicContact CB-CB 4.47Å; D881-I887 HydrophobicContact CB-CG1 4.36Å; D881-E890 WeakPolarHBondContact CB-OE2 3.3Å | ||
| 882 | L | 68.9 | Low | 84.7 | Confident | 157 Ų | 157 | 46.5 Ų | 46.5 | 82% | 0.822 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17 | 174.4 | -68.3 | 169.4 | 0 | 0 | 0 | 113.5 | ||
| 883 | S | 71.4 | Confident | 84.6 | Confident | 84 Ų | 84 | 48 Ų | 48 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4.6 | 179.1 | 85.4 | 0 | 0 | 0 | 0 | 113.9 | D881 | D881-S883 PolarHBondContact O-N 3.41Å; D881-S883 WeakPolarHBondContact OD1-CA 3.44Å; D881-S883 WeakPolarHBondContact OD1-CB 3.46Å; D881-S883 PolarHBondContact OD1-N 3Å; D881-S883 PolarHBondContact OD1-OG 3.49Å; D881-S883 PolarHBondContact OD2-OG 3.02Å |
| 884 | G | 75.5 | Confident | 84.4 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 82.7 | 4.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D881 | D881-G884 PolarHBondContact O-N 2.86Å; D881-G884 PolarHBondContact OD1-N 3.44Å |
| 885 | K | 80.5 | Confident | 84.5 | Confident | 124 Ų | 124 | 46.6 Ų | 46.6 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -87.9 | 156.4 | 173.7 | -68.8 | -178.5 | -179.8 | 178.7 | 0 | 110.6 | P880 D881 I887 | P880-K885 CarbonylContact C-O 3.5Å; P880-K885 VanDerWaalsContact CA-O 3.3Å; P880-K885 WeakPolarHBondContact CA-O 3.39Å; D881-K885 VanDerWaalsContact CG-O 3.27Å; D881-K885 PolarHBondContact N-O 3.39Å; D881-K885 PolarHBondContact OD1-N 2.85Å; D881-K885 VanDerWaalsContact OD1-O 3.08Å; K885-I887 PolarHBondContact O-N 3.06Å |
| 886 | P | 84 | Confident | 84.6 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -57.4 | 129.2 | 174.7 | -23 | 33.5 | 0 | 0 | 0 | 111.8 | L888 | P886-L888 PolarHBondContact O-N 3.4Å |
| 887 | I | 88 | Confident | 84.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.4 | -176.3 | -158.2 | -176.7 | 0 | 0 | 0 | 113.2 | L824 C828 L876 I879 D881 K885 Q889 E890 I891 | L824-I887 HydrophobicContact CD2-CD1 4.39Å; C828-I887 WeakPolarHBondContact SG-CD1 3.46Å; L876-I887 HydrophobicContact CB-CG2 4.31Å; L876-I887 HydrophobicContact CD2-CG2 3.99Å; L876-I887 WeakPolarHBondContact O-CG2 3.42Å; I879-I887 HydrophobicContact CB-CG2 4.07Å; I879-I887 HydrophobicContact CG2-CG2 4.21Å; I879-I887 PolarHBondContact O-N 3.03Å; D881-I887 HydrophobicContact CB-CB 4.47Å; D881-I887 HydrophobicContact CB-CG1 4.36Å; K885-I887 PolarHBondContact O-N 3.06Å; I887-Q889 PolarHBondContact O-N 2.85Å; I887-Q889 VanDerWaalsContact O-N 3.12Å; I887-E890 HydrophobicContact CG1-CB 4.39Å; I887-E890 PolarHBondContact O-N 3.21Å; I887-I891 HydrophobicContact CD1-CD1 4.25Å; I887-I891 HydrophobicContact CD1-CG1 4.23Å; I887-I891 HydrophobicContact CG1-CG1 4.07Å; I887-I891 PolarHBondContact O-N 3.39Å |
| 888 | L | 90.5 | Very high | 84.2 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -46 | -43.5 | 176.7 | -179.7 | 66.8 | 0 | 0 | 0 | 113 | F865 I873 L876 P886 L892 R929 I930 | F865-L888 HydrophobicContact CZ-CD1 4.05Å; I873-L888 HydrophobicContact CG2-CD2 3.96Å; L876-L888 HydrophobicContact CB-CB 4.02Å; L876-L888 HydrophobicContact CB-CD1 3.93Å; L876-L888 HydrophobicContact CD1-CD1 3.91Å; P886-L888 PolarHBondContact O-N 3.4Å; L888-L892 HydrophobicContact CD1-CD1 3.9Å; L888-L892 HydrophobicContact CD1-CG 4.11Å; L888-L892 HydrophobicContact CG-CD1 4.09Å; L888-L892 WeakPolarHBondContact O-CB 3.46Å; L888-L892 VanDerWaalsContact O-CG 3.28Å; L888-L892 WeakPolarHBondContact O-CG 3.47Å; L888-L892 PolarHBondContact O-N 2.75Å; L888-L892 VanDerWaalsContact O-N 3.11Å; L888-R929 HydrophobicContact CD2-CB 4.22Å; L888-I930 HydrophobicContact CD2-CG1 4.45Å |
| 889 | Q | 87.5 | Confident | 84.3 | Confident | 85 Ų | 85 | 45.3 Ų | 45.3 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 179.7 | 172.7 | 170.2 | 8 | 0 | 0 | 112.3 | I887 S893 I933 | I887-Q889 PolarHBondContact O-N 2.85Å; I887-Q889 VanDerWaalsContact O-N 3.12Å; Q889-S893 WeakPolarHBondContact O-CB 3.21Å; Q889-S893 PolarHBondContact O-N 3.15Å; Q889-S893 VanDerWaalsContact O-N 3.08Å; Q889-I933 HydrophobicContact CB-CD1 4.23Å; Q889-I933 HydrophobicContact CB-CG1 4.29Å; Q889-I933 HydrophobicContact CB-CG2 4.48Å; Q889-I933 HydrophobicContact CG-CG1 4.42Å; Q889-I933 HydrophobicContact CG-CG2 3.86Å |
| 890 | E | 85.8 | Confident | 84.4 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -45.8 | -178.2 | -169.9 | 173.1 | -174 | 0 | 0 | 110.8 | I831 H835 D881 I887 S893 I894 | I831-E890 VanDerWaalsContact CG2-OE1 3.25Å; I831-E890 WeakPolarHBondContact CG2-OE1 3.5Å; H835-E890 IonicContact CD2-OE1 2.88Å; H835-E890 IonicContact NE2-OE1 3.29Å; D881-E890 WeakPolarHBondContact CB-OE2 3.3Å; I887-E890 HydrophobicContact CG1-CB 4.39Å; I887-E890 PolarHBondContact O-N 3.21Å; E890-S893 WeakPolarHBondContact O-CB 3.31Å; E890-S893 PolarHBondContact O-N 2.96Å; E890-I894 HydrophobicContact CG-CD1 3.94Å; E890-I894 WeakPolarHBondContact O-CD1 3.26Å; E890-I894 VanDerWaalsContact O-CG1 3.23Å; E890-I894 WeakPolarHBondContact O-CG1 3.43Å; E890-I894 PolarHBondContact O-N 3.01Å |
| 891 | I | 89.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 178.8 | -64.2 | -60.8 | 0 | 0 | 0 | 112.2 | L824 L827 L858 I861 L876 I887 S893 I894 W895 | L824-I891 HydrophobicContact CD2-CD1 3.93Å; L824-I891 HydrophobicContact CD2-CG1 4.25Å; L827-I891 HydrophobicContact CD2-CD1 3.62Å; L827-I891 HydrophobicContact CG-CD1 4.5Å; L858-I891 HydrophobicContact CD1-CG2 4.02Å; I861-I891 HydrophobicContact CG2-CG2 3.97Å; L876-I891 HydrophobicContact CD1-CG2 4.32Å; L876-I891 HydrophobicContact CD2-CG1 4.43Å; I887-I891 HydrophobicContact CD1-CD1 4.25Å; I887-I891 HydrophobicContact CD1-CG1 4.23Å; I887-I891 HydrophobicContact CG1-CG1 4.07Å; I887-I891 PolarHBondContact O-N 3.39Å; I891-S893 VanDerWaalsContact C-N 3.32Å; I891-S893 PolarHBondContact O-N 3.36Å; I891-I894 PolarHBondContact O-N 2.84Å; I891-W895 WeakPolarHBondContact O-CB 3.28Å; I891-W895 PolarHBondContact O-N 3.39Å |
| 892 | L | 91.6 | Very high | 85 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -35 | 179.6 | -66.8 | -180 | 0 | 0 | 0 | 111.9 | F865 L888 W895 C896 L918 I930 I933 I963 M967 | F865-L892 HydrophobicContact CE1-CD2 4.4Å; F865-L892 HydrophobicContact CE2-CD2 3.96Å; F865-L892 HydrophobicContact CZ-CD2 3.72Å; L888-L892 HydrophobicContact CD1-CD1 3.9Å; L888-L892 HydrophobicContact CD1-CG 4.11Å; L888-L892 HydrophobicContact CG-CD1 4.09Å; L888-L892 WeakPolarHBondContact O-CB 3.46Å; L888-L892 VanDerWaalsContact O-CG 3.28Å; L888-L892 WeakPolarHBondContact O-CG 3.47Å; L888-L892 PolarHBondContact O-N 2.75Å; L888-L892 VanDerWaalsContact O-N 3.11Å; L892-W895 HydrophobicContact CD2-CE3 3.87Å; L892-W895 HydrophobicContact CD2-CZ3 4.22Å; L892-W895 PolarHBondContact O-N 3.1Å; L892-C896 PolarHBondContact O-N 3.1Å; L892-C896 PolarHBondContact O-SG 3.39Å; L892-L918 HydrophobicContact CD1-CD2 4.43Å; L892-L918 HydrophobicContact CD2-CD2 3.6Å; L892-I930 HydrophobicContact CD1-CG1 4.48Å; L892-I933 HydrophobicContact CD1-CD1 3.97Å; L892-I963 HydrophobicContact CB-CD1 3.39Å; L892-I963 HydrophobicContact CD1-CD1 4.36Å; L892-M967 HydrophobicContact CB-CE 4.27Å; L892-M967 HydrophobicContact CD1-CE 4.33Å; L892-M967 HydrophobicContact CD2-CE 3.94Å; L892-M967 HydrophobicContact CG-CE 4.41Å |
| 893 | S | 87.9 | Confident | 85.5 | Confident | 32 Ų | 32 | 49 Ų | 49 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 172.9 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | Q889 E890 I891 W895 C896 N897 L935 | Q889-S893 WeakPolarHBondContact O-CB 3.21Å; Q889-S893 PolarHBondContact O-N 3.15Å; Q889-S893 VanDerWaalsContact O-N 3.08Å; E890-S893 WeakPolarHBondContact O-CB 3.31Å; E890-S893 PolarHBondContact O-N 2.96Å; I891-S893 VanDerWaalsContact C-N 3.32Å; I891-S893 PolarHBondContact O-N 3.36Å; S893-W895 VanDerWaalsContact C-N 3.33Å; S893-W895 PolarHBondContact O-N 3.06Å; S893-C896 PolarHBondContact O-N 3.24Å; S893-N897 VanDerWaalsContact O-CG 3.31Å; S893-N897 PolarHBondContact O-N 3.37Å; S893-N897 PolarHBondContact O-ND2 3.33Å; S893-L935 VanDerWaalsContact CB-CD2 3.41Å; S893-L935 VanDerWaalsContact OG-CD2 3.31Å; S893-L935 WeakPolarHBondContact OG-CD2 3.28Å |
| 894 | I | 86.2 | Confident | 86.1 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 178.3 | -65.9 | 159.7 | 0 | 0 | 0 | 110.8 | I831 L858 E890 I891 N897 C898 | I831-I894 HydrophobicContact CB-CD1 4.4Å; I831-I894 HydrophobicContact CD1-CD1 3.17Å; I831-I894 HydrophobicContact CG1-CD1 3.5Å; I831-I894 HydrophobicContact CG2-CD1 3.95Å; L858-I894 HydrophobicContact CD2-CG2 3.89Å; E890-I894 HydrophobicContact CG-CD1 3.94Å; E890-I894 WeakPolarHBondContact O-CD1 3.26Å; E890-I894 VanDerWaalsContact O-CG1 3.23Å; E890-I894 WeakPolarHBondContact O-CG1 3.43Å; E890-I894 PolarHBondContact O-N 3.01Å; I891-I894 PolarHBondContact O-N 2.84Å; I894-N897 PolarHBondContact O-N 3.3Å; I894-C898 VanDerWaalsContact O-CB 3.29Å; I894-C898 WeakPolarHBondContact O-CB 3.44Å; I894-C898 PolarHBondContact O-N 3.42Å; I894-C898 PolarHBondContact O-SG 2.95Å; I894-C898 VanDerWaalsContact O-SG 3.35Å |
| 895 | W | 91.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 176.2 | -178 | 15.1 | 0 | 0 | 0 | 112.2 | L858 I862 F865 I891 L892 S893 N897 C898 Q899 S911 A914 L915 L918 | L858-W895 HydrophobicContact CD1-CB 4.4Å; L858-W895 HydrophobicContact CD2-CB 4.23Å; I862-W895 HydrophobicContact CB-CZ2 4.31Å; I862-W895 HydrophobicContact CD1-CD2 4.15Å; I862-W895 HydrophobicContact CD1-CG 3.95Å; I862-W895 HydrophobicContact CD1-CZ2 4.47Å; I862-W895 VanDerWaalsContact CD1-NE1 3.3Å; I862-W895 HydrophobicContact CG1-CD2 3.78Å; I862-W895 HydrophobicContact CG1-CE3 4.36Å; I862-W895 HydrophobicContact CG1-CG 4.01Å; I862-W895 HydrophobicContact CG1-CZ2 3.99Å; I862-W895 HydrophobicContact CG2-CH2 4.26Å; I862-W895 HydrophobicContact CG2-CZ2 3.64Å; F865-W895 HydrophobicContact CB-CH2 4.3Å; F865-W895 HydrophobicContact CB-CZ3 4.26Å; F865-W895 HydrophobicContact CD2-CE3 4.37Å; F865-W895 AromaticContact CD2-CZ3 3.83Å; F865-W895 HydrophobicContact CD2-CZ3 3.83Å; F865-W895 HydrophobicContact CE2-CZ3 4.34Å; F865-W895 HydrophobicContact CG-CZ3 4.05Å; I891-W895 WeakPolarHBondContact O-CB 3.28Å; I891-W895 PolarHBondContact O-N 3.39Å; L892-W895 HydrophobicContact CD2-CE3 3.87Å; L892-W895 HydrophobicContact CD2-CZ3 4.22Å; L892-W895 PolarHBondContact O-N 3.1Å; S893-W895 VanDerWaalsContact C-N 3.33Å; S893-W895 PolarHBondContact O-N 3.06Å; W895-N897 VanDerWaalsContact C-N 3.28Å; W895-N897 PolarHBondContact O-N 2.9Å; W895-C898 PolarHBondContact O-N 3.28Å; W895-C898 VanDerWaalsContact O-N 3.15Å; W895-Q899 WeakPolarHBondContact O-CB 3.48Å; W895-Q899 PolarHBondContact O-N 3.18Å; W895-S911 PolarHBondContact NE1-OG 3.08Å; W895-A914 HydrophobicContact CH2-CB 3.59Å; W895-A914 HydrophobicContact CZ2-CB 3.8Å; W895-L915 HydrophobicContact CD2-CD2 3.99Å; W895-L915 HydrophobicContact CE3-CD2 4.2Å; W895-L915 HydrophobicContact CH2-CD2 3.76Å; W895-L915 HydrophobicContact CH2-CG 4.03Å; W895-L915 HydrophobicContact CZ2-CB 4.42Å; W895-L915 HydrophobicContact CZ2-CD2 3.5Å; W895-L915 HydrophobicContact CZ2-CG 3.49Å; W895-L915 VanDerWaalsContact CZ2-CG 3.49Å; W895-L915 HydrophobicContact CZ3-CD2 4.1Å; W895-L918 HydrophobicContact CZ3-CD2 3.95Å |
| 896 | C | 90.5 | Very high | 86.8 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 178 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | L892 S893 L935 L970 | L892-C896 PolarHBondContact O-N 3.1Å; L892-C896 PolarHBondContact O-SG 3.39Å; S893-C896 PolarHBondContact O-N 3.24Å; C896-L935 HydrophobicContact CB-CD1 3.62Å; C896-L970 HydrophobicContact CB-CD1 3.82Å; C896-L970 WeakPolarHBondContact O-CD1 3.45Å |
| 897 | N | 85.8 | Confident | 87 | Confident | 100 Ų | 100 | 42.2 Ų | 42.2 | 54% | 0.535 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.9 | -30.7 | 178.1 | -66.1 | -19.4 | 0 | 0 | 0 | 113.1 | S893 I894 W895 Y901 | S893-N897 VanDerWaalsContact O-CG 3.31Å; S893-N897 PolarHBondContact O-N 3.37Å; S893-N897 PolarHBondContact O-ND2 3.33Å; I894-N897 PolarHBondContact O-N 3.3Å; W895-N897 VanDerWaalsContact C-N 3.28Å; W895-N897 PolarHBondContact O-N 2.9Å; N897-Y901 WeakPolarHBondContact O-CD2 3.33Å; N897-Y901 VanDerWaalsContact O-CE2 3.24Å; N897-Y901 WeakPolarHBondContact O-CE2 3.34Å |
| 898 | C | 85.7 | Confident | 87.1 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 17% | 0.169 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -86.3 | -18.3 | 179.9 | -73 | 0 | 0 | 0 | 0 | 113.6 | L858 I894 W895 Y901 | L858-C898 HydrophobicContact CD2-CB 4.01Å; I894-C898 VanDerWaalsContact O-CB 3.29Å; I894-C898 WeakPolarHBondContact O-CB 3.44Å; I894-C898 PolarHBondContact O-N 3.42Å; I894-C898 PolarHBondContact O-SG 2.95Å; I894-C898 VanDerWaalsContact O-SG 3.35Å; W895-C898 PolarHBondContact O-N 3.28Å; W895-C898 VanDerWaalsContact O-N 3.15Å; C898-Y901 WeakPolarHBondContact O-CB 3.45Å; C898-Y901 PolarHBondContact O-N 3.49Å; C898-Y901 VanDerWaalsContact O-N 3.09Å |
| 899 | Q | 88.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -53.7 | -45.5 | -173.6 | 175.3 | 62.1 | 22.8 | 0 | 0 | 114.3 | W895 Y901 Y902 S911 L915 L970 | W895-Q899 WeakPolarHBondContact O-CB 3.48Å; W895-Q899 PolarHBondContact O-N 3.18Å; Q899-Y901 PolarHBondContact O-N 2.96Å; Q899-Y901 VanDerWaalsContact O-N 3.09Å; Q899-Y902 PolarHBondContact O-N 3.45Å; Q899-S911 PolarHBondContact OE1-OG 3.25Å; Q899-L915 HydrophobicContact CG-CD1 3.94Å; Q899-L970 HydrophobicContact CB-CD1 3.83Å; Q899-L970 HydrophobicContact CB-CD2 4.01Å; Q899-L970 HydrophobicContact CB-CG 4.39Å; Q899-L970 HydrophobicContact CG-CB 4.05Å; Q899-L970 HydrophobicContact CG-CD1 4.06Å; Q899-L970 HydrophobicContact CG-CD2 4.04Å; Q899-L970 HydrophobicContact CG-CG 4.28Å |
| 900 | P | 86.4 | Confident | 87.4 | Confident | 48 Ų | 48 | 39.2 Ų | 39.2 | 31% | 0.312 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -64.5 | -15.5 | -178.3 | -22.5 | 35 | 0 | 0 | 0 | 114.5 | L970 K977 | P900-L970 HydrophobicContact CG-CD2 3.77Å; P900-K977 PolarHBondContact O-NZ 3.46Å |
| 901 | Y | 84.2 | Confident | 87.7 | Confident | 163 Ų | 163 | 37.8 Ų | 37.8 | 64% | 0.639 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -98.9 | 4.4 | -173.4 | -56 | -80.8 | 0 | 0 | 0 | 113.7 | Q855 N897 C898 Q899 | Q855-Y901 VanDerWaalsContact NE2-CB 3.32Å; Q855-Y901 PolarHBondContact NE2-O 3Å; N897-Y901 WeakPolarHBondContact O-CD2 3.33Å; N897-Y901 VanDerWaalsContact O-CE2 3.24Å; N897-Y901 WeakPolarHBondContact O-CE2 3.34Å; C898-Y901 WeakPolarHBondContact O-CB 3.45Å; C898-Y901 PolarHBondContact O-N 3.49Å; C898-Y901 VanDerWaalsContact O-N 3.09Å; Q899-Y901 PolarHBondContact O-N 2.96Å; Q899-Y901 VanDerWaalsContact O-N 3.09Å |
| 902 | Y | 84.6 | Confident | 87.9 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.02 | 18% | 0.18 | C | C | . | . | trans | -79.1 | 130.9 | 168.8 | -77.3 | -69.4 | 0 | 0 | 0 | 109.8 | Q855 F859 I862 Q899 E907 I908 | Q855-Y902 HydrophobicContact CB-CE1 4.21Å; Q855-Y902 PolarHBondContact O-OH 3.28Å; Q855-Y902 VanDerWaalsContact O-OH 3.12Å; F859-Y902 HydrophobicContact CD2-CE1 4.09Å; I862-Y902 HydrophobicContact CD1-CE2 3.86Å; I862-Y902 VanDerWaalsContact CD1-OH 3.31Å; I862-Y902 WeakPolarHBondContact CD1-OH 3.18Å; Q899-Y902 PolarHBondContact O-N 3.45Å; Y902-E907 HydrophobicContact CD1-CB 3.93Å; Y902-E907 WeakPolarHBondContact CD1-OE2 3.23Å; Y902-I908 WeakPolarHBondContact O-CD1 3.39Å; Y902-I908 WeakPolarHBondContact O-CG1 3.39Å | ||
| 903 | F | 80.8 | Confident | 88 | Confident | 166 Ų | 166 | 39.5 Ų | 39.5 | 73% | 0.728 | 19% | 0.189 | S | C | * | . | trans | -118.7 | -25.4 | -176.4 | 56.4 | -89.1 | 0 | 0 | 0 | 113.3 | R905 | F903-R905 PolarHBondContact O-N 3.03Š| ||
| 904 | S | 82.3 | Confident | 88.3 | Confident | 27 Ų | 27 | 38 Ų | 38 | 19% | 0.189 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -68 | 127.6 | 177.4 | 167.7 | 0 | 0 | 0 | 0 | 111 | Y906 E907 I908 | S904-Y906 PolarHBondContact O-N 3.45Å; S904-E907 PolarHBondContact O-N 3.38Å; S904-I908 WeakPolarHBondContact O-CG1 3.45Å; S904-I908 PolarHBondContact O-N 3.39Å |
| 905 | R | 85 | Confident | 88.7 | Confident | 142 Ų | 142 | 36.8 Ų | 36.8 | 54% | 0.536 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -48.2 | -46.6 | 177.8 | 178.2 | 178.4 | 173.5 | 176 | -0.5 | 112.3 | F903 Q909 M1086 | F903-R905 PolarHBondContact O-N 3.03Å; R905-Q909 WeakPolarHBondContact O-CB 3.28Å; R905-Q909 VanDerWaalsContact O-CG 3.3Å; R905-Q909 WeakPolarHBondContact O-CG 3.48Å; R905-Q909 PolarHBondContact O-N 3.48Å; R905-M1086 HydrophobicContact CG-CE 4.37Å; R905-M1086 PolarHBondContact NH2-O 3.41Å |
| 906 | Y | 87 | Confident | 88.8 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 178.7 | 175.9 | -100.3 | 0 | 0 | 0 | 112 | F859 S904 Q909 V910 Y1080 D1083 I1085 M1086 | F859-Y906 HydrophobicContact CE1-CD1 4.49Å; F859-Y906 HydrophobicContact CE1-CE1 4.01Å; F859-Y906 HydrophobicContact CZ-CD1 4.15Å; F859-Y906 AromaticContact CZ-CE1 3.89Å; F859-Y906 HydrophobicContact CZ-CE1 3.89Å; S904-Y906 PolarHBondContact O-N 3.45Å; Y906-Q909 PolarHBondContact O-N 3.26Å; Y906-V910 HydrophobicContact CD1-CG2 4.2Å; Y906-V910 HydrophobicContact CD2-CG2 4.16Å; Y906-V910 HydrophobicContact CE1-CG2 3.78Å; Y906-V910 HydrophobicContact CE2-CG2 3.72Å; Y906-V910 HydrophobicContact CG-CG2 4.39Å; Y906-V910 WeakPolarHBondContact O-CB 3.42Å; Y906-V910 WeakPolarHBondContact O-CG2 3.42Å; Y906-V910 PolarHBondContact O-N 2.8Å; Y906-Y1080 AromaticContact CD1-CD1 3.17Å; Y906-Y1080 HydrophobicContact CD1-CD1 3.17Å; Y906-Y1080 HydrophobicContact CD1-CD2 4.45Å; Y906-Y1080 AromaticContact CD1-CE1 3.33Å; Y906-Y1080 HydrophobicContact CD1-CE1 3.33Å; Y906-Y1080 AromaticContact CD1-CG 3.83Å; Y906-Y1080 HydrophobicContact CD1-CG 3.83Å; Y906-Y1080 AromaticContact CD2-CD1 3.99Å; Y906-Y1080 HydrophobicContact CD2-CD1 3.99Å; Y906-Y1080 HydrophobicContact CD2-CG 4.1Å; Y906-Y1080 AromaticContact CE1-CD1 3.45Å; Y906-Y1080 HydrophobicContact CE1-CD1 3.45Å; Y906-Y1080 VanDerWaalsContact CE1-CD1 3.45Å; Y906-Y1080 AromaticContact CE1-CE1 3.63Å; Y906-Y1080 HydrophobicContact CE1-CE1 3.63Å; Y906-Y1080 HydrophobicContact CE1-CG 4.43Å; Y906-Y1080 HydrophobicContact CE2-CD1 4.22Å; Y906-Y1080 AromaticContact CG-CD1 3.46Å; Y906-Y1080 HydrophobicContact CG-CD1 3.46Å; Y906-Y1080 VanDerWaalsContact CG-CD1 3.46Å; Y906-Y1080 HydrophobicContact CG-CD2 4.25Å; Y906-Y1080 HydrophobicContact CG-CE1 4.02Å; Y906-Y1080 AromaticContact CG-CG 3.62Å; Y906-Y1080 HydrophobicContact CG-CG 3.62Å; Y906-Y1080 AromaticContact CZ-CD1 3.98Å; Y906-D1083 HydrophobicContact CE2-CB 3.77Å; Y906-D1083 PolarHBondContact OH-OD2 3.45Å; Y906-D1083 VanDerWaalsContact OH-OD2 3.09Å; Y906-I1085 HydrophobicContact CD2-CG2 3.69Å; Y906-I1085 HydrophobicContact CE2-CG2 3.42Å; Y906-I1085 VanDerWaalsContact CE2-CG2 3.42Å; Y906-M1086 HydrophobicContact CD2-CG 4.06Å; Y906-M1086 HydrophobicContact CD2-SD 3.64Å; Y906-M1086 HydrophobicContact CG-SD 4.15Å |
| 907 | E | 88.5 | Confident | 88.8 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | -178.3 | -63.4 | -176.8 | 153.7 | 0 | 0 | 111.7 | F859 Y902 S904 V910 S911 | F859-E907 HydrophobicContact CD2-CB 4.19Å; F859-E907 HydrophobicContact CD2-CG 4.21Å; F859-E907 HydrophobicContact CE1-CG 4.25Å; F859-E907 HydrophobicContact CE2-CB 3.65Å; F859-E907 HydrophobicContact CE2-CG 3.8Å; F859-E907 HydrophobicContact CZ-CB 4.06Å; F859-E907 HydrophobicContact CZ-CG 3.81Å; Y902-E907 HydrophobicContact CD1-CB 3.93Å; Y902-E907 WeakPolarHBondContact CD1-OE2 3.23Å; S904-E907 PolarHBondContact O-N 3.38Å; E907-V910 PolarHBondContact O-N 2.97Å; E907-S911 WeakPolarHBondContact O-CB 2.87Å; E907-S911 PolarHBondContact O-N 3.36Å |
| 908 | I | 89.8 | Confident | 89.2 | Confident | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.108 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -50.5 | 173.8 | -65.3 | 167.5 | 0 | 0 | 0 | 109.7 | Y902 S904 S911 T912 L1090 | Y902-I908 WeakPolarHBondContact O-CD1 3.39Å; Y902-I908 WeakPolarHBondContact O-CG1 3.39Å; S904-I908 WeakPolarHBondContact O-CG1 3.45Å; S904-I908 PolarHBondContact O-N 3.39Å; I908-S911 PolarHBondContact O-N 2.94Å; I908-T912 WeakPolarHBondContact O-CB 3.3Å; I908-T912 PolarHBondContact O-N 3.11Å; I908-T912 PolarHBondContact O-OG1 2.87Å; I908-L1090 HydrophobicContact CG2-CD2 3.93Å |
| 909 | Q | 91 | Very high | 89.5 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 179.7 | -75.7 | -178.9 | -20.8 | 0 | 0 | 112.1 | R905 Y906 S911 T912 M913 I1085 V1088 L1090 | R905-Q909 WeakPolarHBondContact O-CB 3.28Å; R905-Q909 VanDerWaalsContact O-CG 3.3Å; R905-Q909 WeakPolarHBondContact O-CG 3.48Å; R905-Q909 PolarHBondContact O-N 3.48Å; Y906-Q909 PolarHBondContact O-N 3.26Å; Q909-S911 PolarHBondContact O-N 2.9Å; Q909-T912 PolarHBondContact O-N 3.04Å; Q909-M913 WeakPolarHBondContact O-CB 3.28Å; Q909-M913 VanDerWaalsContact O-CG 3.29Å; Q909-M913 WeakPolarHBondContact O-CG 3.32Å; Q909-M913 PolarHBondContact O-N 3.2Å; Q909-I1085 HydrophobicContact CB-CD1 4.18Å; Q909-I1085 HydrophobicContact CB-CG1 4.11Å; Q909-I1085 PolarHBondContact OE1-O 3.23Å; Q909-V1088 PolarHBondContact NE2-O 2.89Å; Q909-V1088 VanDerWaalsContact NE2-O 3.07Å; Q909-L1090 HydrophobicContact CG-CB 4.47Å; Q909-L1090 HydrophobicContact CG-CD1 4.4Å; Q909-L1090 HydrophobicContact CG-CD2 4.29Å |
| 910 | V | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 178.5 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | F859 I862 L863 Y906 E907 A914 I1085 | F859-V910 HydrophobicContact CE2-CB 3.97Å; F859-V910 HydrophobicContact CE2-CG1 3.83Å; F859-V910 HydrophobicContact CZ-CB 3.76Å; F859-V910 HydrophobicContact CZ-CG1 3.64Å; F859-V910 HydrophobicContact CZ-CG2 4.17Å; I862-V910 HydrophobicContact CG2-CG1 4.41Å; L863-V910 HydrophobicContact CD1-CG1 4.11Å; Y906-V910 HydrophobicContact CD1-CG2 4.2Å; Y906-V910 HydrophobicContact CD2-CG2 4.16Å; Y906-V910 HydrophobicContact CE1-CG2 3.78Å; Y906-V910 HydrophobicContact CE2-CG2 3.72Å; Y906-V910 HydrophobicContact CG-CG2 4.39Å; Y906-V910 WeakPolarHBondContact O-CB 3.42Å; Y906-V910 WeakPolarHBondContact O-CG2 3.42Å; Y906-V910 PolarHBondContact O-N 2.8Å; E907-V910 PolarHBondContact O-N 2.97Å; V910-A914 VanDerWaalsContact O-CB 3.22Å; V910-A914 WeakPolarHBondContact O-CB 3.35Å; V910-A914 PolarHBondContact O-N 2.97Å; V910-I1085 HydrophobicContact CB-CD1 4.37Å; V910-I1085 HydrophobicContact CG2-CD1 3.8Å; V910-I1085 HydrophobicContact CG2-CG2 4.25Å |
| 911 | S | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.1 | -46.1 | -177.7 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | W895 Q899 E907 I908 Q909 M913 A914 L915 | W895-S911 PolarHBondContact NE1-OG 3.08Å; Q899-S911 PolarHBondContact OE1-OG 3.25Å; E907-S911 WeakPolarHBondContact O-CB 2.87Å; E907-S911 PolarHBondContact O-N 3.36Å; I908-S911 PolarHBondContact O-N 2.94Å; Q909-S911 PolarHBondContact O-N 2.9Å; S911-M913 PolarHBondContact O-N 3.33Å; S911-A914 WeakPolarHBondContact O-CB 3.43Å; S911-A914 PolarHBondContact O-N 3.03Å; S911-A914 VanDerWaalsContact O-N 3.14Å; S911-L915 WeakPolarHBondContact O-CG 3.39Å; S911-L915 PolarHBondContact O-N 3.16Å |
| 912 | T | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 179 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | I908 Q909 A914 L915 A916 L971 L1090 L1094 | I908-T912 WeakPolarHBondContact O-CB 3.3Å; I908-T912 PolarHBondContact O-N 3.11Å; I908-T912 PolarHBondContact O-OG1 2.87Å; Q909-T912 PolarHBondContact O-N 3.04Å; T912-A914 PolarHBondContact O-N 3.26Å; T912-L915 PolarHBondContact O-N 2.79Å; T912-A916 PolarHBondContact O-N 2.96Å; T912-L971 HydrophobicContact CG2-CD2 3.48Å; T912-L971 VanDerWaalsContact CG2-CD2 3.48Å; T912-L971 WeakPolarHBondContact O-CD2 3.36Å; T912-L1090 HydrophobicContact CG2-CD1 3.88Å; T912-L1094 HydrophobicContact CG2-CD1 4.2Å; T912-L1094 HydrophobicContact CG2-CD2 3.62Å; T912-L1094 HydrophobicContact CG2-CG 4.19Å |
| 913 | M | 93.1 | Very high | 90.4 | Very high | 37 Ų | 37 | 29 Ų | 29 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.2 | -33.8 | 175.6 | -67.1 | -176.2 | 81.7 | 0 | 0 | 112.5 | Q909 S911 A916 N917 I1085 V1088 F1093 | Q909-M913 WeakPolarHBondContact O-CB 3.28Å; Q909-M913 VanDerWaalsContact O-CG 3.29Å; Q909-M913 WeakPolarHBondContact O-CG 3.32Å; Q909-M913 PolarHBondContact O-N 3.2Å; S911-M913 PolarHBondContact O-N 3.33Å; M913-A916 PolarHBondContact O-N 3.42Å; M913-N917 WeakPolarHBondContact O-CB 3.25Å; M913-N917 VanDerWaalsContact O-CG 3.29Å; M913-N917 PolarHBondContact O-N 2.67Å; M913-I1085 HydrophobicContact CB-CD1 4.48Å; M913-I1085 HydrophobicContact CG-CD1 4.31Å; M913-I1085 HydrophobicContact SD-CD1 3.36Å; M913-I1085 WeakPolarHBondContact SD-CD1 3.5Å; M913-I1085 HydrophobicContact SD-CG1 3.56Å; M913-I1085 VanDerWaalsContact SD-CG1 3.56Å; M913-V1088 HydrophobicContact SD-CG1 4.47Å; M913-F1093 HydrophobicContact CB-CE1 4.44Å; M913-F1093 HydrophobicContact CB-CZ 4.42Å; M913-F1093 HydrophobicContact CE-CD2 4.23Å; M913-F1093 HydrophobicContact CE-CE2 3.98Å; M913-F1093 HydrophobicContact CE-CZ 4.29Å; M913-F1093 HydrophobicContact CG-CD1 4.16Å; M913-F1093 HydrophobicContact CG-CE1 3.77Å; M913-F1093 HydrophobicContact CG-CZ 3.97Å |
| 914 | A | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | I862 F865 R866 W895 V910 S911 T912 N917 L918 | I862-A914 HydrophobicContact CG2-CB 3.95Å; F865-A914 HydrophobicContact CB-CB 4.42Å; R866-A914 HydrophobicContact CB-CB 4.07Å; W895-A914 HydrophobicContact CH2-CB 3.59Å; W895-A914 HydrophobicContact CZ2-CB 3.8Å; V910-A914 VanDerWaalsContact O-CB 3.22Å; V910-A914 WeakPolarHBondContact O-CB 3.35Å; V910-A914 PolarHBondContact O-N 2.97Å; S911-A914 WeakPolarHBondContact O-CB 3.43Å; S911-A914 PolarHBondContact O-N 3.03Å; S911-A914 VanDerWaalsContact O-N 3.14Å; T912-A914 PolarHBondContact O-N 3.26Å; A914-N917 PolarHBondContact O-N 2.74Å; A914-L918 WeakPolarHBondContact O-CB 3.45Å; A914-L918 PolarHBondContact O-N 3.37Å |
| 915 | L | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 172.7 | -73.5 | 176 | 0 | 0 | 0 | 111.1 | W895 Q899 S911 T912 N917 L918 I919 M967 L970 L971 | W895-L915 HydrophobicContact CD2-CD2 3.99Å; W895-L915 HydrophobicContact CE3-CD2 4.2Å; W895-L915 HydrophobicContact CH2-CD2 3.76Å; W895-L915 HydrophobicContact CH2-CG 4.03Å; W895-L915 HydrophobicContact CZ2-CB 4.42Å; W895-L915 HydrophobicContact CZ2-CD2 3.5Å; W895-L915 HydrophobicContact CZ2-CG 3.49Å; W895-L915 VanDerWaalsContact CZ2-CG 3.49Å; W895-L915 HydrophobicContact CZ3-CD2 4.1Å; Q899-L915 HydrophobicContact CG-CD1 3.94Å; S911-L915 WeakPolarHBondContact O-CG 3.39Å; S911-L915 PolarHBondContact O-N 3.16Å; T912-L915 PolarHBondContact O-N 2.79Å; L915-N917 VanDerWaalsContact C-N 3.34Å; L915-N917 PolarHBondContact O-N 3.2Å; L915-L918 PolarHBondContact O-N 3.32Å; L915-L918 VanDerWaalsContact O-N 3.14Å; L915-I919 WeakPolarHBondContact O-CG1 3.28Å; L915-I919 PolarHBondContact O-N 3.42Å; L915-M967 HydrophobicContact CD2-CB 4.21Å; L915-M967 HydrophobicContact CD2-CE 4.41Å; L915-M967 HydrophobicContact CD2-CG 3.83Å; L915-M967 HydrophobicContact CD2-SD 4.32Å; L915-L970 HydrophobicContact CD1-CB 4.38Å; L915-L971 HydrophobicContact CB-CD2 3.95Å; L915-L971 HydrophobicContact CB-CG 4.46Å; L915-L971 HydrophobicContact CD1-CD2 4.3Å |
| 916 | A | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T912 M913 L918 I919 L920 L971 F1093 F1097 | T912-A916 PolarHBondContact O-N 2.96Å; M913-A916 PolarHBondContact O-N 3.42Å; A916-L918 VanDerWaalsContact C-N 3.34Å; A916-L918 PolarHBondContact O-N 2.93Å; A916-I919 PolarHBondContact O-N 2.78Å; A916-L920 WeakPolarHBondContact O-CB 3.35Å; A916-L920 PolarHBondContact O-N 2.98Å; A916-L971 HydrophobicContact CB-CD1 4.25Å; A916-F1093 HydrophobicContact CB-CE1 3.95Å; A916-F1093 HydrophobicContact CB-CZ 3.77Å; A916-F1097 HydrophobicContact CB-CD1 4.32Å; A916-F1097 HydrophobicContact CB-CD2 3.95Å; A916-F1097 HydrophobicContact CB-CE1 4.07Å; A916-F1097 HydrophobicContact CB-CE2 3.68Å; A916-F1097 HydrophobicContact CB-CG 4.26Å; A916-F1097 HydrophobicContact CB-CZ 3.74Å |
| 917 | N | 91.5 | Very high | 91.2 | Very high | 60 Ų | 60 | 30.4 Ų | 30.4 | 32% | 0.321 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 175.1 | -77.8 | -16.8 | 0 | 0 | 0 | 112.3 | M913 A914 L915 H921 | M913-N917 WeakPolarHBondContact O-CB 3.25Å; M913-N917 VanDerWaalsContact O-CG 3.29Å; M913-N917 PolarHBondContact O-N 2.67Å; A914-N917 PolarHBondContact O-N 2.74Å; L915-N917 VanDerWaalsContact C-N 3.34Å; L915-N917 PolarHBondContact O-N 3.2Å; N917-H921 WeakPolarHBondContact O-CB 3.32Å; N917-H921 PolarHBondContact O-N 2.93Å |
| 918 | L | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.8 | -41.3 | 179.9 | -172 | 60 | 0 | 0 | 0 | 112 | F865 T869 I873 L892 W895 A914 L915 A916 T922 I930 M967 | F865-L918 HydrophobicContact CD1-CD1 3.95Å; F865-L918 HydrophobicContact CD1-CD2 4.36Å; F865-L918 HydrophobicContact CE1-CD1 3.86Å; F865-L918 HydrophobicContact CE1-CD2 4.23Å; T869-L918 HydrophobicContact CG2-CD1 3.89Å; I873-L918 HydrophobicContact CD1-CD1 4.01Å; I873-L918 HydrophobicContact CG1-CD1 4.3Å; L892-L918 HydrophobicContact CD1-CD2 4.43Å; L892-L918 HydrophobicContact CD2-CD2 3.6Å; W895-L918 HydrophobicContact CZ3-CD2 3.95Å; A914-L918 WeakPolarHBondContact O-CB 3.45Å; A914-L918 PolarHBondContact O-N 3.37Å; L915-L918 PolarHBondContact O-N 3.32Å; L915-L918 VanDerWaalsContact O-N 3.14Å; A916-L918 VanDerWaalsContact C-N 3.34Å; A916-L918 PolarHBondContact O-N 2.93Å; L918-T922 WeakPolarHBondContact O-CB 3.46Å; L918-T922 PolarHBondContact O-N 3.16Å; L918-T922 PolarHBondContact O-OG1 3.15Å; L918-I930 HydrophobicContact CD1-CD1 3.62Å; L918-I930 HydrophobicContact CG-CD1 4.41Å; L918-M967 HydrophobicContact CD2-CE 3.49Å; L918-M967 VanDerWaalsContact CD2-CE 3.49Å; L918-M967 HydrophobicContact CD2-SD 3.97Å; L918-M967 HydrophobicContact CG-CE 4.5Å; L918-M967 HydrophobicContact CG-SD 4.43Å |
| 919 | I | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -52.7 | 173.2 | -68.5 | 169.5 | 0 | 0 | 0 | 109.7 | L915 A916 H921 T922 I923 M967 L971 F1097 L1101 F1110 | L915-I919 WeakPolarHBondContact O-CG1 3.28Å; L915-I919 PolarHBondContact O-N 3.42Å; A916-I919 PolarHBondContact O-N 2.78Å; I919-H921 PolarHBondContact O-N 3.09Å; I919-T922 PolarHBondContact O-N 3.23Å; I919-I923 HydrophobicContact CG2-CD1 3.7Å; I919-I923 WeakPolarHBondContact O-CG1 3.31Å; I919-I923 PolarHBondContact O-N 3.43Å; I919-M967 HydrophobicContact CD1-CB 3.84Å; I919-M967 HydrophobicContact CG1-CB 4.03Å; I919-M967 HydrophobicContact CG1-SD 4.47Å; I919-L971 HydrophobicContact CD1-CD1 3.71Å; I919-F1097 HydrophobicContact CB-CZ 4.3Å; I919-F1097 HydrophobicContact CG2-CZ 4.23Å; I919-L1101 HydrophobicContact CG2-CD1 4.35Å; I919-F1110 HydrophobicContact CG2-CZ 4.4Å |
| 920 | L | 91.1 | Very high | 90.9 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.5 | -42.2 | -178.1 | -174.6 | 64.4 | 0 | 0 | 0 | 111.8 | A916 N924 | A916-L920 WeakPolarHBondContact O-CB 3.35Å; A916-L920 PolarHBondContact O-N 2.98Å; L920-N924 WeakPolarHBondContact CD1-ND2 3.46Å; L920-N924 WeakPolarHBondContact CG-ND2 3.2Å; L920-N924 VanDerWaalsContact O-CB 3.24Å; L920-N924 WeakPolarHBondContact O-CB 3.37Å; L920-N924 PolarHBondContact O-N 3.37Å; L920-N924 PolarHBondContact O-ND2 3.2Å |
| 921 | H | 90.8 | Very high | 90.6 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 19% | 0.185 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -50.1 | 174.9 | -176.4 | 81.9 | 0 | 0 | 0 | 110.9 | T869 N917 I919 I923 N924 T925 | T869-H921 HydrophobicContact CG2-CB 4.16Å; N917-H921 WeakPolarHBondContact O-CB 3.32Å; N917-H921 PolarHBondContact O-N 2.93Å; I919-H921 PolarHBondContact O-N 3.09Å; H921-I923 PolarHBondContact O-N 3.02Å; H921-N924 PolarHBondContact O-N 2.73Å; H921-T925 WeakPolarHBondContact O-CB 3.4Å; H921-T925 PolarHBondContact O-N 3.11Å; H921-T925 PolarHBondContact O-OG1 3.47Å |
| 922 | T | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | -177.8 | -58 | 0 | 0 | 0 | 0 | 111.6 | L918 I919 K926 D927 I930 M931 I964 | L918-T922 WeakPolarHBondContact O-CB 3.46Å; L918-T922 PolarHBondContact O-N 3.16Å; L918-T922 PolarHBondContact O-OG1 3.15Å; I919-T922 PolarHBondContact O-N 3.23Å; T922-K926 WeakPolarHBondContact O-CA 3.28Å; T922-K926 PolarHBondContact O-N 3.36Å; T922-D927 PolarHBondContact O-N 3.08Å; T922-I930 HydrophobicContact CG2-CB 3.91Å; T922-I930 HydrophobicContact CG2-CG2 3.91Å; T922-I930 WeakPolarHBondContact OG1-CD1 3.48Å; T922-M931 HydrophobicContact CG2-CE 4.19Å; T922-M931 HydrophobicContact CG2-CG 3.72Å; T922-M931 WeakPolarHBondContact O-CE 3.32Å; T922-I964 HydrophobicContact CG2-CG2 4.06Å |
| 923 | I | 88.7 | Confident | 90 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.6 | -45 | 178.7 | -65.1 | 169.5 | 0 | 0 | 0 | 111 | I919 H921 L1101 Y1106 F1110 | I919-I923 HydrophobicContact CG2-CD1 3.7Å; I919-I923 WeakPolarHBondContact O-CG1 3.31Å; I919-I923 PolarHBondContact O-N 3.43Å; H921-I923 PolarHBondContact O-N 3.02Å; I923-L1101 HydrophobicContact CD1-CD1 3.61Å; I923-Y1106 HydrophobicContact CD1-CD1 4.3Å; I923-Y1106 HydrophobicContact CG1-CD1 4.25Å; I923-F1110 HydrophobicContact CD1-CE2 4.19Å; I923-F1110 HydrophobicContact CD1-CZ 4.31Å |
| 924 | N | 89.2 | Confident | 89.8 | Confident | 107 Ų | 107 | 46.4 Ų | 46.4 | 57% | 0.572 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -72 | -39 | -175.9 | -73.4 | -22.6 | 0 | 0 | 0 | 113.4 | L920 H921 | L920-N924 WeakPolarHBondContact CD1-ND2 3.46Å; L920-N924 WeakPolarHBondContact CG-ND2 3.2Å; L920-N924 VanDerWaalsContact O-CB 3.24Å; L920-N924 WeakPolarHBondContact O-CB 3.37Å; L920-N924 PolarHBondContact O-N 3.37Å; L920-N924 PolarHBondContact O-ND2 3.2Å; H921-N924 PolarHBondContact O-N 2.73Å |
| 925 | T | 89 | Confident | 89.2 | Confident | 76 Ų | 76 | 46.9 Ų | 46.9 | 47% | 0.466 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -91.5 | -12.7 | -179.3 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | H921 D927 | H921-T925 WeakPolarHBondContact O-CB 3.4Å; H921-T925 PolarHBondContact O-N 3.11Å; H921-T925 PolarHBondContact O-OG1 3.47Å; T925-D927 VanDerWaalsContact C-N 3.27Å; T925-D927 PolarHBondContact O-N 2.97Å |
| 926 | K | 86.8 | Confident | 88.5 | Confident | 163 Ų | 163 | 52.9 Ų | 52.9 | 71% | 0.709 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 46 | -171.7 | -57.7 | -176.1 | 179.7 | -177.3 | 0 | 111.6 | T922 A928 M931 | T922-K926 WeakPolarHBondContact O-CA 3.28Å; T922-K926 PolarHBondContact O-N 3.36Å; K926-A928 PolarHBondContact O-N 3.32Å; K926-M931 HydrophobicContact CB-CE 4.41Å |
| 927 | D | 87.7 | Confident | 87.5 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | trans | -64.9 | 105.2 | -177.7 | -162 | -35.9 | 0 | 0 | 0 | 110.6 | T922 T925 R929 I930 M931 | T922-D927 PolarHBondContact O-N 3.08Å; T925-D927 VanDerWaalsContact C-N 3.27Å; T925-D927 PolarHBondContact O-N 2.97Å; D927-R929 PolarHBondContact O-N 3.48Å; D927-R929 VanDerWaalsContact O-N 3.16Å; D927-R929 VanDerWaalsContact OD1-CB 3.23Å; D927-R929 WeakPolarHBondContact OD1-CB 3.42Å; D927-R929 WeakPolarHBondContact OD1-CG 3.27Å; D927-R929 IonicContact OD1-CZ 3.59Å; D927-R929 PolarHBondContact OD1-N 2.93Å; D927-R929 IonicContact OD1-NE 3.2Å; D927-R929 PolarHBondContact OD1-NE 2.86Å; D927-R929 IonicContact OD1-NH2 2.82Å; D927-R929 IonicContact OD2-CZ 3.93Å; D927-R929 IonicContact OD2-NE 3.3Å; D927-R929 PolarHBondContact OD2-NE 3.34Å; D927-R929 IonicContact OD2-NH2 2.73Å; D927-R929 PolarHBondContact OD2-NH2 3.45Å; D927-I930 PolarHBondContact O-N 3.02Å; D927-M931 PolarHBondContact O-N 3.42Å; D927-M931 VanDerWaalsContact O-N 3.15Å | ||
| 928 | A | 86.7 | Confident | 86.4 | Confident | 51 Ų | 51 | 57 Ų | 57 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -23.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K926 I930 Q932 | K926-A928 PolarHBondContact O-N 3.32Å; A928-I930 VanDerWaalsContact C-N 3.33Å; A928-I930 PolarHBondContact O-N 3.42Å; A928-Q932 WeakPolarHBondContact O-CB 3.22Å; A928-Q932 VanDerWaalsContact O-CD 3.28Å; A928-Q932 WeakPolarHBondContact O-CG 3.33Å; A928-Q932 PolarHBondContact O-N 2.93Å |
| 929 | R | 87.5 | Confident | 85 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | -179.6 | -60.7 | 173.9 | -72.9 | -173.3 | -5.4 | 111.8 | D874 S877 L888 D927 I933 | D874-R929 IonicContact OD1-CZ 3.34Å; D874-R929 IonicContact OD1-NH1 3.93Å; D874-R929 PolarHBondContact OD1-NH1 2.96Å; D874-R929 IonicContact OD1-NH2 2.62Å; D874-R929 PolarHBondContact OD1-NH2 3.43Å; S877-R929 PolarHBondContact OG-NH1 3.38Å; L888-R929 HydrophobicContact CD2-CB 4.22Å; D927-R929 PolarHBondContact O-N 3.48Å; D927-R929 VanDerWaalsContact O-N 3.16Å; D927-R929 VanDerWaalsContact OD1-CB 3.23Å; D927-R929 WeakPolarHBondContact OD1-CB 3.42Å; D927-R929 WeakPolarHBondContact OD1-CG 3.27Å; D927-R929 IonicContact OD1-CZ 3.59Å; D927-R929 PolarHBondContact OD1-N 2.93Å; D927-R929 IonicContact OD1-NE 3.2Å; D927-R929 PolarHBondContact OD1-NE 2.86Å; D927-R929 IonicContact OD1-NH2 2.82Å; D927-R929 IonicContact OD2-CZ 3.93Å; D927-R929 IonicContact OD2-NE 3.3Å; D927-R929 PolarHBondContact OD2-NE 3.34Å; D927-R929 IonicContact OD2-NH2 2.73Å; D927-R929 PolarHBondContact OD2-NH2 3.45Å; R929-I933 WeakPolarHBondContact O-CD1 3.45Å; R929-I933 WeakPolarHBondContact O-CG1 3.15Å |
| 930 | I | 88.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -90.1 | -41.9 | -178.5 | -59.6 | 168.7 | 0 | 0 | 0 | 110.5 | I873 L888 L892 L918 T922 D927 A928 Q932 I933 I963 I964 | I873-I930 HydrophobicContact CD1-CD1 3.68Å; I873-I930 HydrophobicContact CG1-CD1 4.08Å; I873-I930 HydrophobicContact CG2-CD1 4.46Å; L888-I930 HydrophobicContact CD2-CG1 4.45Å; L892-I930 HydrophobicContact CD1-CG1 4.48Å; L918-I930 HydrophobicContact CD1-CD1 3.62Å; L918-I930 HydrophobicContact CG-CD1 4.41Å; T922-I930 HydrophobicContact CG2-CB 3.91Å; T922-I930 HydrophobicContact CG2-CG2 3.91Å; T922-I930 WeakPolarHBondContact OG1-CD1 3.48Å; D927-I930 PolarHBondContact O-N 3.02Å; A928-I930 VanDerWaalsContact C-N 3.33Å; A928-I930 PolarHBondContact O-N 3.42Å; I930-Q932 PolarHBondContact O-N 3.13Å; I930-Q932 VanDerWaalsContact O-N 3.08Å; I930-I933 PolarHBondContact O-N 2.95Å; I930-I963 HydrophobicContact CG2-CG2 3.96Å; I930-I964 HydrophobicContact CG2-CG2 4.08Å |
| 931 | M | 86 | Confident | 81.6 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 30% | 0.296 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -21.1 | 179.7 | -72.9 | -173.5 | 168.7 | 0 | 0 | 113.9 | T922 K926 D927 Y1106 | T922-M931 HydrophobicContact CG2-CE 4.19Å; T922-M931 HydrophobicContact CG2-CG 3.72Å; T922-M931 WeakPolarHBondContact O-CE 3.32Å; K926-M931 HydrophobicContact CB-CE 4.41Å; D927-M931 PolarHBondContact O-N 3.42Å; D927-M931 VanDerWaalsContact O-N 3.15Å; M931-Y1106 HydrophobicContact CE-CE2 4.32Å |
| 932 | Q | 86.4 | Confident | 79.9 | Confident | 155 Ų | 155 | 72.8 Ų | 72.8 | 72% | 0.724 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.3 | 178.4 | -71.6 | 173.5 | 15.7 | 0 | 0 | 113.9 | A928 I930 | A928-Q932 WeakPolarHBondContact O-CB 3.22Å; A928-Q932 VanDerWaalsContact O-CD 3.28Å; A928-Q932 WeakPolarHBondContact O-CG 3.33Å; A928-Q932 PolarHBondContact O-N 2.93Å; I930-Q932 PolarHBondContact O-N 3.13Å; I930-Q932 VanDerWaalsContact O-N 3.08Å |
| 933 | I | 87.8 | Confident | 78.4 | Confident | 8 Ų | 8 | 81 Ų | 81 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | trans | -83.5 | 130.4 | -178.3 | -59.3 | 166.8 | 0 | 0 | 0 | 109.4 | Q889 L892 R929 I930 I963 | Q889-I933 HydrophobicContact CB-CD1 4.23Å; Q889-I933 HydrophobicContact CB-CG1 4.29Å; Q889-I933 HydrophobicContact CB-CG2 4.48Å; Q889-I933 HydrophobicContact CG-CG1 4.42Å; Q889-I933 HydrophobicContact CG-CG2 3.86Å; L892-I933 HydrophobicContact CD1-CD1 3.97Å; R929-I933 WeakPolarHBondContact O-CD1 3.45Å; R929-I933 WeakPolarHBondContact O-CG1 3.15Å; I930-I933 PolarHBondContact O-N 2.95Å; I933-I963 HydrophobicContact CB-CB 4.18Å; I933-I963 HydrophobicContact CB-CG2 3.78Å; I933-I963 HydrophobicContact CG2-CB 3.95Å; I933-I963 HydrophobicContact CG2-CD1 3.71Å; I933-I963 HydrophobicContact CG2-CG1 4.44Å; I933-I963 HydrophobicContact CG2-CG2 4.08Å; I933-I963 PolarHBondContact O-N 3.31Å | ||
| 934 | T | 88 | Confident | 77.5 | Confident | 61 Ų | 61 | 83.4 Ų | 83.4 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.8 | 172.4 | 56.3 | 0 | 0 | 0 | 0 | 110.3 | V961 | T934-V961 CarbonylContact C-O 3.5Å; T934-V961 VanDerWaalsContact CA-O 3.26Å; T934-V961 WeakPolarHBondContact CA-O 3.44Å |
| 935 | L | 83.2 | Confident | 76.7 | Confident | 10 Ų | 10 | 85.2 Ų | 85.2 | 5% | 0.052 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.1 | 172.8 | -63.6 | -175.5 | 0 | 0 | 0 | 109.9 | S893 C896 D960 V961 I963 | S893-L935 VanDerWaalsContact CB-CD2 3.41Å; S893-L935 VanDerWaalsContact OG-CD2 3.31Å; S893-L935 WeakPolarHBondContact OG-CD2 3.28Å; C896-L935 HydrophobicContact CB-CD1 3.62Å; L935-D960 CarbonylContact O-C 3.56Å; L935-D960 WeakPolarHBondContact O-CA 3.43Å; L935-V961 PolarHBondContact N-O 3.1Å; L935-V961 PolarHBondContact O-N 3.28Å; L935-I963 HydrophobicContact CD1-CD1 4.05Å; L935-I963 HydrophobicContact CD1-CG1 3.78Å; L935-I963 HydrophobicContact CD2-CD1 4.11Å; L935-I963 HydrophobicContact CG-CB 4.29Å; L935-I963 HydrophobicContact CG-CD1 4.08Å; L935-I963 HydrophobicContact CG-CG1 3.96Å |
| 936 | Q | 78.7 | Confident | 75.6 | Confident | 126 Ų | 126 | 85.9 Ų | 85.9 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 107.4 | 175.7 | -65.5 | -162.2 | -40 | 0 | 0 | 108.7 | L958 I959 D960 | Q936-L958 HydrophobicContact CB-CB 4.2Å; Q936-L958 HydrophobicContact CB-CD1 4.42Å; Q936-L958 HydrophobicContact CB-CD2 4.19Å; Q936-I959 WeakPolarHBondContact CA-O 3.19Å; Q936-D960 WeakPolarHBondContact CG-OD1 3.31Å; Q936-D960 PolarHBondContact NE2-OD1 3.32Å |
| 937 | E | 73.1 | Confident | 75.2 | Confident | 49 Ų | 49 | 80 Ų | 80 | 23% | 0.229 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.3 | 174.6 | -70.4 | -179.8 | -166.7 | 0 | 0 | 109.7 | L958 I959 V961 S966 K969 | E937-L958 CarbonylContact O-C 3.59Å; E937-L958 WeakPolarHBondContact O-CA 3.31Å; E937-I959 PolarHBondContact N-O 3.27Å; E937-I959 PolarHBondContact O-N 3.03Å; E937-V961 HydrophobicContact CB-CG2 4.07Å; E937-V961 HydrophobicContact CG-CB 4.32Å; E937-V961 HydrophobicContact CG-CG2 4.13Å; E937-S966 WeakPolarHBondContact OE1-CB 3.47Å; E937-S966 PolarHBondContact OE1-OG 3.45Å; E937-K969 IonicContact OE2-NZ 3.7Å; E937-K969 PolarHBondContact OE2-NZ 3.36Å |
| 938 | E | 68.6 | Low | 74.5 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 46% | 0.458 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 137.5 | 174.3 | -70.1 | 178.3 | -154.5 | 0 | 0 | 110.2 | D940 K956 L958 | E938-D940 PolarHBondContact O-N 3.26Å; E938-K956 HydrophobicContact CG-CB 4.42Å; E938-K956 HydrophobicContact CG-CD 4.43Å; E938-K956 VanDerWaalsContact OE1-CD 3.3Å; E938-K956 WeakPolarHBondContact OE1-CD 3.03Å; E938-K956 WeakPolarHBondContact OE1-CE 3.46Å; E938-K956 IonicContact OE1-NZ 2.67Å; E938-K956 PolarHBondContact OE1-NZ 2.96Å; E938-K956 WeakPolarHBondContact OE2-CD 3.44Å; E938-K956 VanDerWaalsContact OE2-CE 3.27Å; E938-K956 WeakPolarHBondContact OE2-CE 3.21Å; E938-K956 IonicContact OE2-NZ 3.83Å; E938-K956 PolarHBondContact OE2-NZ 3.37Å; E938-L958 HydrophobicContact CB-CD2 4.44Å; E938-L958 HydrophobicContact CG-CD2 3.42Å; E938-L958 VanDerWaalsContact CG-CD2 3.42Å |
| 939 | M | 63.7 | Low | 73.9 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | trans | -79 | 115.7 | 167.8 | -71 | -169.4 | 74.6 | 0 | 0 | 110.6 | N941 V957 I959 | M939-N941 PolarHBondContact O-N 3.4Å; M939-V957 PolarHBondContact N-O 3.15Å; M939-V957 HydrophobicContact SD-CG1 4.16Å; M939-I959 HydrophobicContact CE-CD1 4.38Å; M939-I959 HydrophobicContact CG-CD1 3.36Å; M939-I959 HydrophobicContact CG-CG1 3.82Å; M939-I959 HydrophobicContact SD-CD1 3.52Å; M939-I959 VanDerWaalsContact SD-CD1 3.52Å; M939-I959 HydrophobicContact SD-CG1 4.12Å | ||
| 940 | D | 58.1 | Low | 73.4 | Confident | 163 Ų | 163 | 85.4 Ų | 85.4 | 87% | 0.872 | 44% | 0.438 | S | S | * | . | trans | -66.6 | 102.1 | 167.5 | -78.7 | -25.6 | 0 | 0 | 0 | 110.2 | E938 | E938-D940 PolarHBondContact O-N 3.26Š| ||
| 941 | N | 55.1 | Low | 72.5 | Confident | 109 Ų | 109 | 86.9 Ų | 86.9 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | trans | -122.2 | 1.2 | -178.8 | -82.2 | -32.6 | 0 | 0 | 0 | 114.4 | M939 | M939-N941 PolarHBondContact O-N 3.4Š| ||
| 942 | N | 55.3 | Low | 71.8 | Confident | 75 Ų | 75 | 87.5 Ų | 87.5 | 40% | 0.401 | 46% | 0.459 | S | S | . | . | trans | -122.4 | 127.3 | -171.2 | -73.6 | -20 | 0 | 0 | 0 | 113.4 | S944 Q946 Q954 | N942-S944 VanDerWaalsContact C-N 3.33Å; N942-Q946 PolarHBondContact ND2-NE2 3.04Å; N942-Q946 VanDerWaalsContact ND2-NE2 3.16Å; N942-Q954 PolarHBondContact ND2-OE1 3.06Å | ||
| 943 | D | 59.4 | Low | 70.9 | Confident | 173 Ų | 173 | 87.9 Ų | 87.9 | 93% | 0.925 | 46% | 0.46 | S | S | * | . | trans | -82 | -0.1 | 175.1 | -82.1 | -33.3 | 0 | 0 | 0 | 113.9 | ||||
| 944 | S | 68.3 | Low | 69.6 | Low | 71 Ų | 71 | 92.1 Ų | 92.1 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -110.4 | 149.8 | -174.8 | 68 | 0 | 0 | 0 | 0 | 113.4 | N942 Q946 | N942-S944 VanDerWaalsContact C-N 3.33Å; S944-Q946 PolarHBondContact O-N 2.66Å; S944-Q946 VanDerWaalsContact O-N 3.15Å |
| 945 | I | 72.2 | Confident | 68.2 | Low | 144 Ų | 144 | 93.9 Ų | 93.9 | 74% | 0.738 | 50% | 0.5 | S | S | * | . | trans | -50.9 | 118.6 | 173.5 | -57.8 | 172.9 | 0 | 0 | 0 | 110.4 | T947 | I945-T947 HydrophobicContact CG2-CG2 4.43Š| ||
| 946 | Q | 66.8 | Low | 67.3 | Low | 91 Ų | 91 | 97.5 Ų | 97.5 | 43% | 0.425 | 52% | 0.516 | S | S | . | . | trans | -95.9 | 100 | 175.7 | -72.7 | -165 | 18.5 | 0 | 0 | 110.4 | N942 S944 | N942-Q946 PolarHBondContact ND2-NE2 3.04Å; N942-Q946 VanDerWaalsContact ND2-NE2 3.16Å; S944-Q946 PolarHBondContact O-N 2.66Å; S944-Q946 VanDerWaalsContact O-N 3.15Å | ||
| 947 | T | 78.9 | Confident | 66.8 | Low | 38 Ų | 38 | 95.7 Ų | 95.7 | 23% | 0.233 | 51% | 0.513 | C | S | . | . | trans | -74.3 | 162.1 | 171.5 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | I945 S949 K950 S951 | I945-T947 HydrophobicContact CG2-CG2 4.43Å; T947-S949 PolarHBondContact O-N 3.4Å; T947-S949 PolarHBondContact OG1-OG 2.87Å; T947-K950 PolarHBondContact O-N 3.03Å; T947-K950 VanDerWaalsContact O-N 3.13Å; T947-K950 WeakPolarHBondContact OG1-CG 3.46Å; T947-K950 PolarHBondContact OG1-N 2.9Å; T947-S951 PolarHBondContact O-N 3.02Å; T947-S951 PolarHBondContact O-OG 2.88Å | ||
| 948 | R | 71.6 | Confident | 66.8 | Low | 103 Ų | 103 | 97 Ų | 97 | 39% | 0.389 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -55.8 | -34.1 | 176.6 | -61.8 | -176.6 | -169.5 | 171.2 | 11.5 | 112.6 | L841 S951 S952 D1049 | L841-R948 VanDerWaalsContact O-CZ 3.28Å; L841-R948 PolarHBondContact O-NE 3.11Å; L841-R948 PolarHBondContact O-NH1 3.14Å; R948-S951 WeakPolarHBondContact CA-OG 3.36Å; R948-S951 PolarHBondContact O-OG 2.98Å; R948-S951 VanDerWaalsContact O-OG 3.09Å; R948-S952 WeakPolarHBondContact O-CB 3.45Å; R948-S952 PolarHBondContact O-N 3Å; R948-D1049 IonicContact CZ-OD2 3.2Å; R948-D1049 IonicContact NE-OD2 2.63Å; R948-D1049 IonicContact NH2-OD2 2.93Å; R948-D1049 PolarHBondContact NH2-OD2 2.83Å |
| 949 | S | 74.9 | Confident | 67.4 | Low | 71 Ų | 71 | 95.7 Ų | 95.7 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.2 | -46.5 | 175.8 | 59 | 0 | 0 | 0 | 0 | 112.2 | T947 S952 Q953 | T947-S949 PolarHBondContact O-N 3.4Å; T947-S949 PolarHBondContact OG1-OG 2.87Å; S949-S952 PolarHBondContact O-N 3.44Å; S949-S952 PolarHBondContact O-OG 2.76Å; S949-Q953 WeakPolarHBondContact O-CG 3.43Å; S949-Q953 PolarHBondContact O-N 3.45Å |
| 950 | K | 76.4 | Confident | 68.3 | Low | 99 Ų | 99 | 95.7 Ų | 95.7 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.9 | -71.9 | 178.6 | -176.3 | 172.6 | 0 | 112.2 | T947 S952 Q953 Q954 | T947-K950 PolarHBondContact O-N 3.03Å; T947-K950 VanDerWaalsContact O-N 3.13Å; T947-K950 WeakPolarHBondContact OG1-CG 3.46Å; T947-K950 PolarHBondContact OG1-N 2.9Å; K950-S952 VanDerWaalsContact C-N 3.3Å; K950-S952 PolarHBondContact O-N 2.88Å; K950-Q953 PolarHBondContact O-N 3.25Å; K950-Q953 VanDerWaalsContact O-N 3.16Å; K950-Q954 PolarHBondContact O-N 2.72Å |
| 951 | S | 69.7 | Low | 69.6 | Low | 31 Ų | 31 | 88.1 Ų | 88.1 | 22% | 0.217 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -67.5 | -29.2 | 179.4 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | T947 R948 | T947-S951 PolarHBondContact O-N 3.02Å; T947-S951 PolarHBondContact O-OG 2.88Å; R948-S951 WeakPolarHBondContact CA-OG 3.36Å; R948-S951 PolarHBondContact O-OG 2.98Å; R948-S951 VanDerWaalsContact O-OG 3.09Å |
| 952 | S | 71.4 | Confident | 71.3 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 52% | 0.517 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.7 | -26.9 | 172.8 | 76.8 | 0 | 0 | 0 | 0 | 113.7 | R948 S949 K950 | R948-S952 WeakPolarHBondContact O-CB 3.45Å; R948-S952 PolarHBondContact O-N 3Å; S949-S952 PolarHBondContact O-N 3.44Å; S949-S952 PolarHBondContact O-OG 2.76Å; K950-S952 VanDerWaalsContact C-N 3.3Å; K950-S952 PolarHBondContact O-N 2.88Å |
| 953 | Q | 69.2 | Low | 73 | Confident | 163 Ų | 163 | 81 Ų | 81 | 76% | 0.762 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -89 | -32.8 | -178.5 | -70.3 | 179.6 | 3.4 | 0 | 0 | 113.1 | S949 K950 | S949-Q953 WeakPolarHBondContact O-CG 3.43Å; S949-Q953 PolarHBondContact O-N 3.45Å; K950-Q953 PolarHBondContact O-N 3.25Å; K950-Q953 VanDerWaalsContact O-N 3.16Å |
| 954 | Q | 59.7 | Low | 74.5 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -82.3 | 120.8 | 177.8 | -70.5 | -174.8 | -1.8 | 0 | 0 | 110.7 | N942 K950 K956 | N942-Q954 PolarHBondContact ND2-OE1 3.06Å; K950-Q954 PolarHBondContact O-N 2.72Å; Q954-K956 PolarHBondContact O-N 3.11Å |
| 955 | A | 58.6 | Low | 75.6 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 80% | 0.802 | 38% | 0.375 | S | S | * | . | trans | -66.2 | 103 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V957 | A955-V957 PolarHBondContact O-N 3Š| ||
| 956 | K | 64.8 | Low | 76.5 | Confident | 86 Ų | 86 | 63 Ų | 63 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | trans | -55.8 | 125.6 | 177.5 | -68.5 | 167.8 | 163.4 | -139.2 | 0 | 110.3 | E938 Q954 L958 | E938-K956 HydrophobicContact CG-CB 4.42Å; E938-K956 HydrophobicContact CG-CD 4.43Å; E938-K956 VanDerWaalsContact OE1-CD 3.3Å; E938-K956 WeakPolarHBondContact OE1-CD 3.03Å; E938-K956 WeakPolarHBondContact OE1-CE 3.46Å; E938-K956 IonicContact OE1-NZ 2.67Å; E938-K956 PolarHBondContact OE1-NZ 2.96Å; E938-K956 WeakPolarHBondContact OE2-CD 3.44Å; E938-K956 VanDerWaalsContact OE2-CE 3.27Å; E938-K956 WeakPolarHBondContact OE2-CE 3.21Å; E938-K956 IonicContact OE2-NZ 3.83Å; E938-K956 PolarHBondContact OE2-NZ 3.37Å; Q954-K956 PolarHBondContact O-N 3.11Å; K956-L958 PolarHBondContact O-N 3.02Å | ||
| 957 | V | 67.5 | Low | 77.7 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 53% | 0.533 | 32% | 0.322 | S | S | . | . | trans | -81.1 | 99.2 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | M939 A955 | M939-V957 PolarHBondContact N-O 3.15Å; M939-V957 HydrophobicContact SD-CG1 4.16Å; A955-V957 PolarHBondContact O-N 3Å | ||
| 958 | L | 72 | Confident | 78.4 | Confident | 76 Ų | 76 | 56.9 Ų | 56.9 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.2 | 177.1 | -65.2 | 166.5 | 0 | 0 | 0 | 109.5 | Q936 E937 E938 K956 | Q936-L958 HydrophobicContact CB-CB 4.2Å; Q936-L958 HydrophobicContact CB-CD1 4.42Å; Q936-L958 HydrophobicContact CB-CD2 4.19Å; E937-L958 CarbonylContact O-C 3.59Å; E937-L958 WeakPolarHBondContact O-CA 3.31Å; E938-L958 HydrophobicContact CB-CD2 4.44Å; E938-L958 HydrophobicContact CG-CD2 3.42Å; E938-L958 VanDerWaalsContact CG-CD2 3.42Å; K956-L958 PolarHBondContact O-N 3.02Å |
| 959 | I | 81.2 | Confident | 79.3 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.8 | 170.3 | -60.9 | 175.9 | 0 | 0 | 0 | 108.4 | Q936 E937 M939 V961 | Q936-I959 WeakPolarHBondContact CA-O 3.19Å; E937-I959 PolarHBondContact N-O 3.27Å; E937-I959 PolarHBondContact O-N 3.03Å; M939-I959 HydrophobicContact CE-CD1 4.38Å; M939-I959 HydrophobicContact CG-CD1 3.36Å; M939-I959 HydrophobicContact CG-CG1 3.82Å; M939-I959 HydrophobicContact SD-CD1 3.52Å; M939-I959 VanDerWaalsContact SD-CD1 3.52Å; M939-I959 HydrophobicContact SD-CG1 4.12Å; I959-V961 HydrophobicContact CB-CG2 4.4Å; I959-V961 HydrophobicContact CG2-CG2 4.02Å; I959-V961 PolarHBondContact O-N 2.95Å |
| 960 | D | 83.5 | Confident | 80.1 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 107.2 | 168.3 | -68 | -33.7 | 0 | 0 | 0 | 109.6 | L935 Q936 | L935-D960 CarbonylContact O-C 3.56Å; L935-D960 WeakPolarHBondContact O-CA 3.43Å; Q936-D960 WeakPolarHBondContact CG-OD1 3.31Å; Q936-D960 PolarHBondContact NE2-OD1 3.32Å |
| 961 | V | 86.4 | Confident | 81 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.3 | 178.7 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | T934 L935 E937 I959 I963 V965 Y1113 | T934-V961 CarbonylContact C-O 3.5Å; T934-V961 VanDerWaalsContact CA-O 3.26Å; T934-V961 WeakPolarHBondContact CA-O 3.44Å; L935-V961 PolarHBondContact N-O 3.1Å; L935-V961 PolarHBondContact O-N 3.28Å; E937-V961 HydrophobicContact CB-CG2 4.07Å; E937-V961 HydrophobicContact CG-CB 4.32Å; E937-V961 HydrophobicContact CG-CG2 4.13Å; I959-V961 HydrophobicContact CB-CG2 4.4Å; I959-V961 HydrophobicContact CG2-CG2 4.02Å; I959-V961 PolarHBondContact O-N 2.95Å; V961-I963 PolarHBondContact O-N 2.58Å; V961-V965 HydrophobicContact CG1-CB 3.73Å; V961-V965 HydrophobicContact CG1-CG1 3.74Å; V961-Y1113 HydrophobicContact CG1-CD1 4.13Å; V961-Y1113 HydrophobicContact CG1-CE1 4.32Å; V961-Y1113 HydrophobicContact CG2-CD1 4.15Å; V961-Y1113 HydrophobicContact CG2-CE1 4.21Å |
| 962 | P | 90.5 | Very high | 82 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 135.5 | 174.7 | -22.8 | 32.9 | 0 | 0 | 0 | 111.2 | I964 V965 S966 Y1113 | P962-I964 HydrophobicContact CB-CG1 4.24Å; P962-I964 PolarHBondContact O-N 3.2Å; P962-I964 VanDerWaalsContact O-N 3.08Å; P962-V965 HydrophobicContact CB-CG2 4.05Å; P962-V965 HydrophobicContact CG-CG2 4.2Å; P962-V965 WeakPolarHBondContact O-CA 3.38Å; P962-V965 VanDerWaalsContact O-CB 3.26Å; P962-V965 WeakPolarHBondContact O-CB 3.48Å; P962-V965 PolarHBondContact O-N 3.44Å; P962-S966 PolarHBondContact O-N 3.01Å; P962-Y1113 WeakPolarHBondContact CD-OH 3.29Å; P962-Y1113 HydrophobicContact CG-CE2 4.45Å |
| 963 | I | 90.7 | Very high | 82.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -34 | -170.8 | -166.3 | 158.4 | 0 | 0 | 0 | 113.8 | L892 I930 I933 L935 V961 V965 S966 M967 | L892-I963 HydrophobicContact CB-CD1 3.39Å; L892-I963 HydrophobicContact CD1-CD1 4.36Å; I930-I963 HydrophobicContact CG2-CG2 3.96Å; I933-I963 HydrophobicContact CB-CB 4.18Å; I933-I963 HydrophobicContact CB-CG2 3.78Å; I933-I963 HydrophobicContact CG2-CB 3.95Å; I933-I963 HydrophobicContact CG2-CD1 3.71Å; I933-I963 HydrophobicContact CG2-CG1 4.44Å; I933-I963 HydrophobicContact CG2-CG2 4.08Å; I933-I963 PolarHBondContact O-N 3.31Å; L935-I963 HydrophobicContact CD1-CD1 4.05Å; L935-I963 HydrophobicContact CD1-CG1 3.78Å; L935-I963 HydrophobicContact CD2-CD1 4.11Å; L935-I963 HydrophobicContact CG-CB 4.29Å; L935-I963 HydrophobicContact CG-CD1 4.08Å; L935-I963 HydrophobicContact CG-CG1 3.96Å; V961-I963 PolarHBondContact O-N 2.58Å; I963-V965 PolarHBondContact O-N 3.2Å; I963-S966 WeakPolarHBondContact O-CB 3.42Å; I963-S966 PolarHBondContact O-N 3.19Å; I963-M967 HydrophobicContact CD1-CE 4.11Å; I963-M967 HydrophobicContact CG1-CE 3.87Å; I963-M967 VanDerWaalsContact O-CG 3.28Å; I963-M967 WeakPolarHBondContact O-CG 3.46Å; I963-M967 PolarHBondContact O-N 3.29Å |
| 964 | I | 91.5 | Very high | 84 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -31.4 | 176.4 | 59.3 | -177 | 0 | 0 | 0 | 112 | T922 I930 P962 Y968 Y1106 F1110 | T922-I964 HydrophobicContact CG2-CG2 4.06Å; I930-I964 HydrophobicContact CG2-CG2 4.08Å; P962-I964 HydrophobicContact CB-CG1 4.24Å; P962-I964 PolarHBondContact O-N 3.2Å; P962-I964 VanDerWaalsContact O-N 3.08Å; I964-Y968 WeakPolarHBondContact O-CB 3.39Å; I964-Y968 PolarHBondContact O-N 2.73Å; I964-Y1106 HydrophobicContact CD1-CE1 3.47Å; I964-Y1106 VanDerWaalsContact CD1-CE1 3.47Å; I964-Y1106 VanDerWaalsContact CD1-OH 3.29Å; I964-Y1106 WeakPolarHBondContact CD1-OH 3.31Å; I964-F1110 HydrophobicContact CB-CE1 4.25Å; I964-F1110 HydrophobicContact CG1-CE1 4.09Å; I964-F1110 HydrophobicContact CG1-CZ 4.48Å; I964-F1110 WeakPolarHBondContact O-CE1 3.47Å |
| 965 | V | 90.7 | Very high | 85.5 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.4 | -44.3 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | V961 P962 I963 M967 Y968 K969 F1110 Y1113 | V961-V965 HydrophobicContact CG1-CB 3.73Å; V961-V965 HydrophobicContact CG1-CG1 3.74Å; P962-V965 HydrophobicContact CB-CG2 4.05Å; P962-V965 HydrophobicContact CG-CG2 4.2Å; P962-V965 WeakPolarHBondContact O-CA 3.38Å; P962-V965 VanDerWaalsContact O-CB 3.26Å; P962-V965 WeakPolarHBondContact O-CB 3.48Å; P962-V965 PolarHBondContact O-N 3.44Å; I963-V965 PolarHBondContact O-N 3.2Å; V965-M967 VanDerWaalsContact C-N 3.34Å; V965-M967 PolarHBondContact O-N 3.11Å; V965-Y968 WeakPolarHBondContact O-CB 3.32Å; V965-Y968 PolarHBondContact O-N 2.89Å; V965-Y968 VanDerWaalsContact O-N 3.16Å; V965-K969 WeakPolarHBondContact O-CG 3.3Å; V965-K969 PolarHBondContact O-N 3.04Å; V965-F1110 HydrophobicContact CB-CD1 4.24Å; V965-F1110 HydrophobicContact CG2-CD1 3.8Å; V965-F1110 HydrophobicContact CG2-CE1 4.11Å; V965-Y1113 HydrophobicContact CB-CD2 4.48Å; V965-Y1113 HydrophobicContact CG1-CD2 3.83Å; V965-Y1113 HydrophobicContact CG1-CG 3.73Å; V965-Y1113 HydrophobicContact CG2-CD2 3.98Å; V965-Y1113 HydrophobicContact CG2-CE2 4.21Å |
| 966 | S | 90.4 | Very high | 87 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.035 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 173.7 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | E937 P962 I963 Y968 K969 L970 | E937-S966 WeakPolarHBondContact OE1-CB 3.47Å; E937-S966 PolarHBondContact OE1-OG 3.45Å; P962-S966 PolarHBondContact O-N 3.01Å; I963-S966 WeakPolarHBondContact O-CB 3.42Å; I963-S966 PolarHBondContact O-N 3.19Å; S966-Y968 VanDerWaalsContact C-N 3.32Å; S966-Y968 PolarHBondContact O-N 3.22Å; S966-K969 PolarHBondContact O-N 2.99Å; S966-L970 WeakPolarHBondContact O-CG 3.48Å; S966-L970 PolarHBondContact O-N 2.92Å |
| 967 | M | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 174.6 | -65.8 | 172.8 | 170.6 | 0 | 0 | 112 | L892 L915 L918 I919 I963 V965 L970 L971 | L892-M967 HydrophobicContact CB-CE 4.27Å; L892-M967 HydrophobicContact CD1-CE 4.33Å; L892-M967 HydrophobicContact CD2-CE 3.94Å; L892-M967 HydrophobicContact CG-CE 4.41Å; L915-M967 HydrophobicContact CD2-CB 4.21Å; L915-M967 HydrophobicContact CD2-CE 4.41Å; L915-M967 HydrophobicContact CD2-CG 3.83Å; L915-M967 HydrophobicContact CD2-SD 4.32Å; L918-M967 HydrophobicContact CD2-CE 3.49Å; L918-M967 VanDerWaalsContact CD2-CE 3.49Å; L918-M967 HydrophobicContact CD2-SD 3.97Å; L918-M967 HydrophobicContact CG-CE 4.5Å; L918-M967 HydrophobicContact CG-SD 4.43Å; I919-M967 HydrophobicContact CD1-CB 3.84Å; I919-M967 HydrophobicContact CG1-CB 4.03Å; I919-M967 HydrophobicContact CG1-SD 4.47Å; I963-M967 HydrophobicContact CD1-CE 4.11Å; I963-M967 HydrophobicContact CG1-CE 3.87Å; I963-M967 VanDerWaalsContact O-CG 3.28Å; I963-M967 WeakPolarHBondContact O-CG 3.46Å; I963-M967 PolarHBondContact O-N 3.29Å; V965-M967 VanDerWaalsContact C-N 3.34Å; V965-M967 PolarHBondContact O-N 3.11Å; M967-L970 PolarHBondContact O-N 3.19Å; M967-L971 WeakPolarHBondContact O-CG 3.41Å; M967-L971 PolarHBondContact O-N 3.04Å; M967-L971 VanDerWaalsContact O-N 3.14Å |
| 968 | Y | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.2 | 163.5 | -93.7 | 0 | 0 | 0 | 112.5 | I964 V965 S966 L970 L971 L972 L1098 L1101 Y1107 F1110 H1114 | I964-Y968 WeakPolarHBondContact O-CB 3.39Å; I964-Y968 PolarHBondContact O-N 2.73Å; V965-Y968 WeakPolarHBondContact O-CB 3.32Å; V965-Y968 PolarHBondContact O-N 2.89Å; V965-Y968 VanDerWaalsContact O-N 3.16Å; S966-Y968 VanDerWaalsContact C-N 3.32Å; S966-Y968 PolarHBondContact O-N 3.22Å; Y968-L970 VanDerWaalsContact C-N 3.3Å; Y968-L970 PolarHBondContact O-N 3.44Å; Y968-L971 WeakPolarHBondContact O-CB 3.44Å; Y968-L971 PolarHBondContact O-N 3.04Å; Y968-L972 HydrophobicContact CD1-CD1 4.1Å; Y968-L972 HydrophobicContact CE1-CD1 3.35Å; Y968-L972 HydrophobicContact CE1-CG 4.21Å; Y968-L972 HydrophobicContact CE2-CD1 4.3Å; Y968-L972 HydrophobicContact CE2-CG 4.41Å; Y968-L972 VanDerWaalsContact CZ-CD1 3.49Å; Y968-L972 PolarHBondContact O-N 2.95Å; Y968-L1098 HydrophobicContact CD2-CD2 3.83Å; Y968-L1098 HydrophobicContact CE2-CD2 3.52Å; Y968-L1101 HydrophobicContact CD2-CD2 3.77Å; Y968-L1101 HydrophobicContact CE2-CD2 4.14Å; Y968-Y1107 HydrophobicContact CE2-CE2 4.14Å; Y968-Y1107 WeakPolarHBondContact OH-CE2 3.28Å; Y968-Y1107 PolarHBondContact OH-OH 3.11Å; Y968-F1110 HydrophobicContact CD1-CB 4.18Å; Y968-F1110 HydrophobicContact CD1-CD1 4.12Å; Y968-F1110 HydrophobicContact CD1-CG 4.32Å; Y968-F1110 HydrophobicContact CD2-CG 4.45Å; Y968-F1110 HydrophobicContact CE1-CB 4.13Å; Y968-F1110 HydrophobicContact CG-CB 4.49Å; Y968-F1110 AromaticContact CG-CD1 3.93Å; Y968-F1110 HydrophobicContact CG-CD1 3.93Å; Y968-F1110 HydrophobicContact CG-CE1 4.4Å; Y968-F1110 HydrophobicContact CG-CG 4.18Å; Y968-H1114 AromaticContact CE1-CD2 3.73Å; Y968-H1114 AromaticContact CE1-NE2 3.27Å; Y968-H1114 VanDerWaalsContact CE1-NE2 3.27Å; Y968-H1114 WeakPolarHBondContact CE1-NE2 3.44Å; Y968-H1114 AromaticContact CZ-NE2 3.49Å; Y968-H1114 PolarHBondContact OH-NE2 3.04Å |
| 969 | K | 91.4 | Very high | 89.7 | Confident | 34 Ų | 34 | 23.5 Ų | 23.5 | 15% | 0.148 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -38.7 | 175.6 | -71.6 | -177.6 | 170.6 | -173.4 | 0 | 112.1 | E937 V965 S966 L971 L972 N973 Y1113 E1118 | E937-K969 IonicContact OE2-NZ 3.7Å; E937-K969 PolarHBondContact OE2-NZ 3.36Å; V965-K969 WeakPolarHBondContact O-CG 3.3Å; V965-K969 PolarHBondContact O-N 3.04Å; S966-K969 PolarHBondContact O-N 2.99Å; K969-L971 PolarHBondContact O-N 3.27Å; K969-L972 WeakPolarHBondContact O-CB 3.25Å; K969-L972 PolarHBondContact O-N 3.5Å; K969-N973 PolarHBondContact O-N 3.31Å; K969-Y1113 VanDerWaalsContact CE-O 3.25Å; K969-Y1113 WeakPolarHBondContact CE-O 3.28Å; K969-E1118 WeakPolarHBondContact CD-OE1 3.33Å; K969-E1118 WeakPolarHBondContact CG-OE1 3.41Å |
| 970 | L | 92.3 | Very high | 89.9 | Confident | 21 Ų | 21 | 24.5 Ų | 24.5 | 11% | 0.11 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 175.2 | -69.2 | 166.4 | 0 | 0 | 0 | 112.5 | C896 Q899 P900 L915 S966 M967 Y968 L972 N973 E974 | C896-L970 HydrophobicContact CB-CD1 3.82Å; C896-L970 WeakPolarHBondContact O-CD1 3.45Å; Q899-L970 HydrophobicContact CB-CD1 3.83Å; Q899-L970 HydrophobicContact CB-CD2 4.01Å; Q899-L970 HydrophobicContact CB-CG 4.39Å; Q899-L970 HydrophobicContact CG-CB 4.05Å; Q899-L970 HydrophobicContact CG-CD1 4.06Å; Q899-L970 HydrophobicContact CG-CD2 4.04Å; Q899-L970 HydrophobicContact CG-CG 4.28Å; P900-L970 HydrophobicContact CG-CD2 3.77Å; L915-L970 HydrophobicContact CD1-CB 4.38Å; S966-L970 WeakPolarHBondContact O-CG 3.48Å; S966-L970 PolarHBondContact O-N 2.92Å; M967-L970 PolarHBondContact O-N 3.19Å; Y968-L970 VanDerWaalsContact C-N 3.3Å; Y968-L970 PolarHBondContact O-N 3.44Å; L970-L972 VanDerWaalsContact C-N 3.33Å; L970-N973 PolarHBondContact O-N 3.14Å; L970-E974 PolarHBondContact O-N 3.41Å |
| 971 | L | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -36.6 | 173.7 | -64.5 | -179.4 | 0 | 0 | 0 | 112.2 | T912 L915 A916 I919 M967 Y968 K969 L975 L1094 F1097 | T912-L971 HydrophobicContact CG2-CD2 3.48Å; T912-L971 VanDerWaalsContact CG2-CD2 3.48Å; T912-L971 WeakPolarHBondContact O-CD2 3.36Å; L915-L971 HydrophobicContact CB-CD2 3.95Å; L915-L971 HydrophobicContact CB-CG 4.46Å; L915-L971 HydrophobicContact CD1-CD2 4.3Å; A916-L971 HydrophobicContact CB-CD1 4.25Å; I919-L971 HydrophobicContact CD1-CD1 3.71Å; M967-L971 WeakPolarHBondContact O-CG 3.41Å; M967-L971 PolarHBondContact O-N 3.04Å; M967-L971 VanDerWaalsContact O-N 3.14Å; Y968-L971 WeakPolarHBondContact O-CB 3.44Å; Y968-L971 PolarHBondContact O-N 3.04Å; K969-L971 PolarHBondContact O-N 3.27Å; L971-L975 PolarHBondContact O-N 2.92Å; L971-L975 VanDerWaalsContact O-N 3.15Å; L971-L1094 HydrophobicContact CB-CD2 4.14Å; L971-L1094 HydrophobicContact CD2-CD2 4.04Å; L971-F1097 HydrophobicContact CD1-CD1 3.99Å; L971-F1097 HydrophobicContact CD1-CE1 3.51Å; L971-F1097 HydrophobicContact CD1-CZ 4.35Å |
| 972 | L | 91.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 173.3 | -77.8 | 174.7 | 0 | 0 | 0 | 111.9 | Y968 K969 L970 E974 L975 D976 L1098 E1118 L1122 | Y968-L972 HydrophobicContact CD1-CD1 4.1Å; Y968-L972 HydrophobicContact CE1-CD1 3.35Å; Y968-L972 HydrophobicContact CE1-CG 4.21Å; Y968-L972 HydrophobicContact CE2-CD1 4.3Å; Y968-L972 HydrophobicContact CE2-CG 4.41Å; Y968-L972 VanDerWaalsContact CZ-CD1 3.49Å; Y968-L972 PolarHBondContact O-N 2.95Å; K969-L972 WeakPolarHBondContact O-CB 3.25Å; K969-L972 PolarHBondContact O-N 3.5Å; L970-L972 VanDerWaalsContact C-N 3.33Å; L972-E974 VanDerWaalsContact C-N 3.33Å; L972-E974 PolarHBondContact O-N 2.9Å; L972-L975 WeakPolarHBondContact O-CB 3.12Å; L972-L975 PolarHBondContact O-N 3.31Å; L972-L975 VanDerWaalsContact O-N 3.17Å; L972-D976 PolarHBondContact O-N 3.42Å; L972-L1098 HydrophobicContact CD2-CD1 3.66Å; L972-L1098 HydrophobicContact CD2-CD2 4.28Å; L972-L1098 HydrophobicContact CG-CD1 4.49Å; L972-E1118 HydrophobicContact CD1-CB 4.14Å; L972-E1118 HydrophobicContact CD1-CG 4.24Å; L972-L1122 HydrophobicContact CD1-CD1 4.47Å; L972-L1122 HydrophobicContact CD1-CG 4.46Å; L972-L1122 HydrophobicContact CD2-CD2 3.63Å; L972-L1122 HydrophobicContact CD2-CG 3.98Å |
| 973 | N | 91.2 | Very high | 88.2 | Confident | 64 Ų | 64 | 31.3 Ų | 31.3 | 34% | 0.342 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 177.2 | -171.2 | 60.3 | 0 | 0 | 0 | 111.7 | K969 L970 L975 D976 K977 | K969-N973 PolarHBondContact O-N 3.31Å; L970-N973 PolarHBondContact O-N 3.14Å; N973-L975 VanDerWaalsContact C-N 3.31Å; N973-L975 PolarHBondContact O-N 3.46Å; N973-D976 PolarHBondContact O-N 2.73Å; N973-K977 WeakPolarHBondContact O-CG 3.47Å; N973-K977 PolarHBondContact O-N 3.47Å |
| 974 | E | 91.4 | Very high | 86.7 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.8 | -29.8 | 175.5 | -74.2 | -51.4 | 148.5 | 0 | 0 | 113.5 | L970 L972 K977 K978 L1094 | L970-E974 PolarHBondContact O-N 3.41Å; L972-E974 VanDerWaalsContact C-N 3.33Å; L972-E974 PolarHBondContact O-N 2.9Å; E974-K977 IonicContact OE1-NZ 3.57Å; E974-K977 PolarHBondContact OE1-NZ 3.01Å; E974-K977 WeakPolarHBondContact OE2-CD 3.21Å; E974-K977 IonicContact OE2-NZ 2.68Å; E974-K978 WeakPolarHBondContact O-CG 3.41Å; E974-K978 PolarHBondContact O-N 3.44Å; E974-L1094 HydrophobicContact CB-CD1 4.28Å |
| 975 | L | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.5 | -39.6 | 171.8 | -178.4 | 57.2 | 0 | 0 | 0 | 111.9 | L971 L972 N973 K978 L979 K1091 L1094 L1098 I1125 | L971-L975 PolarHBondContact O-N 2.92Å; L971-L975 VanDerWaalsContact O-N 3.15Å; L972-L975 WeakPolarHBondContact O-CB 3.12Å; L972-L975 PolarHBondContact O-N 3.31Å; L972-L975 VanDerWaalsContact O-N 3.17Å; N973-L975 VanDerWaalsContact C-N 3.31Å; N973-L975 PolarHBondContact O-N 3.46Å; L975-K978 PolarHBondContact O-N 2.92Å; L975-L979 HydrophobicContact CD1-CG 4.45Å; L975-L979 HydrophobicContact CG-CD1 4.27Å; L975-L979 WeakPolarHBondContact O-CG 3.37Å; L975-L979 PolarHBondContact O-N 3.48Å; L975-K1091 HydrophobicContact CD1-CG 4.2Å; L975-L1094 HydrophobicContact CB-CB 4.43Å; L975-L1094 HydrophobicContact CB-CD1 4.06Å; L975-L1094 HydrophobicContact CD1-CB 4.15Å; L975-L1094 HydrophobicContact CD2-CB 4.46Å; L975-L1098 HydrophobicContact CD2-CD1 3.55Å; L975-I1125 HydrophobicContact CD2-CD1 3.89Å; L975-I1125 HydrophobicContact CD2-CG2 3.99Å |
| 976 | D | 89.6 | Confident | 82.4 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 178.8 | -150.3 | 43.3 | 0 | 0 | 0 | 110.9 | L972 N973 K978 L979 E980 T1121 R1124 | L972-D976 PolarHBondContact O-N 3.42Å; N973-D976 PolarHBondContact O-N 2.73Å; D976-K978 VanDerWaalsContact C-N 3.31Å; D976-K978 PolarHBondContact O-N 2.9Å; D976-L979 WeakPolarHBondContact O-CB 3.47Å; D976-L979 PolarHBondContact O-N 3.03Å; D976-E980 PolarHBondContact O-N 3.34Å; D976-T1121 HydrophobicContact CB-CG2 3.91Å; D976-T1121 VanDerWaalsContact CG-OG1 3.22Å; D976-T1121 VanDerWaalsContact OD1-CG2 3.3Å; D976-T1121 WeakPolarHBondContact OD1-CG2 3.47Å; D976-T1121 PolarHBondContact OD1-OG1 3.06Å; D976-R1124 IonicContact OD1-NH1 3.97Å |
| 977 | K | 87.9 | Confident | 80.1 | Confident | 63 Ų | 63 | 52 Ų | 52 | 27% | 0.274 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.1 | -46.8 | 172 | -70.7 | 177.6 | -177.2 | 176.3 | 0 | 112.2 | P900 N973 E974 L979 E980 E981 | P900-K977 PolarHBondContact O-NZ 3.46Å; N973-K977 WeakPolarHBondContact O-CG 3.47Å; N973-K977 PolarHBondContact O-N 3.47Å; E974-K977 IonicContact OE1-NZ 3.57Å; E974-K977 PolarHBondContact OE1-NZ 3.01Å; E974-K977 WeakPolarHBondContact OE2-CD 3.21Å; E974-K977 IonicContact OE2-NZ 2.68Å; K977-L979 PolarHBondContact O-N 3.11Å; K977-E980 PolarHBondContact O-N 2.94Å; K977-E981 WeakPolarHBondContact O-CG 3.32Å; K977-E981 PolarHBondContact O-N 3.27Å |
| 978 | K | 86.5 | Confident | 77.5 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -23.1 | 178.6 | -73.9 | -74.4 | 163.6 | -124.1 | 0 | 113.8 | E974 L975 D976 E981 | E974-K978 WeakPolarHBondContact O-CG 3.41Å; E974-K978 PolarHBondContact O-N 3.44Å; L975-K978 PolarHBondContact O-N 2.92Å; D976-K978 VanDerWaalsContact C-N 3.31Å; D976-K978 PolarHBondContact O-N 2.9Å; K978-E981 IonicContact NZ-OE1 2.95Å; K978-E981 PolarHBondContact NZ-OE1 2.96Å; K978-E981 IonicContact NZ-OE2 3.7Å; K978-E981 PolarHBondContact NZ-OE2 2.87Å |
| 979 | L | 87 | Confident | 74.7 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -83.5 | -32.3 | 173.8 | -69 | 170.4 | 0 | 0 | 0 | 111.9 | L975 D976 K977 T1121 R1124 I1125 | L975-L979 HydrophobicContact CD1-CG 4.45Å; L975-L979 HydrophobicContact CG-CD1 4.27Å; L975-L979 WeakPolarHBondContact O-CG 3.37Å; L975-L979 PolarHBondContact O-N 3.48Å; D976-L979 WeakPolarHBondContact O-CB 3.47Å; D976-L979 PolarHBondContact O-N 3.03Å; K977-L979 PolarHBondContact O-N 3.11Å; L979-T1121 HydrophobicContact CD1-CG2 4.32Å; L979-R1124 HydrophobicContact CD1-CB 4.48Å; L979-I1125 HydrophobicContact CD1-CG2 4.14Å |
| 980 | E | 84.7 | Confident | 71.7 | Confident | 92 Ų | 92 | 66.2 Ų | 66.2 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 175.7 | -71.1 | -180 | 160.3 | 0 | 0 | 111.8 | D976 K977 E982 T983 E984 | D976-E980 PolarHBondContact O-N 3.34Å; K977-E980 PolarHBondContact O-N 2.94Å; E980-E982 PolarHBondContact O-N 3.32Å; E980-T983 WeakPolarHBondContact CA-OG1 3.39Å; E980-T983 PolarHBondContact O-N 3.32Å; E980-T983 PolarHBondContact O-OG1 3.47Å; E980-E984 PolarHBondContact O-N 3.39Å |
| 981 | E | 79.5 | Confident | 69.1 | Low | 96 Ų | 96 | 73.1 Ų | 73.1 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -53.6 | -35.7 | 175.3 | -74.1 | 172.1 | -157.2 | 0 | 0 | 112.5 | K977 K978 C985 | K977-E981 WeakPolarHBondContact O-CG 3.32Å; K977-E981 PolarHBondContact O-N 3.27Å; K978-E981 IonicContact NZ-OE1 2.95Å; K978-E981 PolarHBondContact NZ-OE1 2.96Å; K978-E981 IonicContact NZ-OE2 3.7Å; K978-E981 PolarHBondContact NZ-OE2 2.87Å; E981-C985 PolarHBondContact O-SG 2.91Å |
| 982 | E | 73.4 | Confident | 66.1 | Low | 92 Ų | 92 | 76.9 Ų | 76.9 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75.2 | -32.6 | 177.7 | -74.6 | 179.9 | 174.4 | 0 | 0 | 113.1 | E980 K1091 | E980-E982 PolarHBondContact O-N 3.32Å; E982-K1091 WeakPolarHBondContact OE1-CD 3.14Å; E982-K1091 IonicContact OE1-NZ 3.5Å; E982-K1091 PolarHBondContact OE1-NZ 3.43Å; E982-K1091 IonicContact OE2-NZ 3.54Å; E982-K1091 PolarHBondContact OE2-NZ 2.79Å |
| 983 | T | 71.9 | Confident | 63.3 | Low | 82 Ų | 82 | 86 Ų | 86 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.9 | -31.5 | -180 | 42.8 | 0 | 0 | 0 | 0 | 113.4 | E980 D986 D987 | E980-T983 WeakPolarHBondContact CA-OG1 3.39Å; E980-T983 PolarHBondContact O-N 3.32Å; E980-T983 PolarHBondContact O-OG1 3.47Å; T983-D986 PolarHBondContact O-N 3.04Å; T983-D987 PolarHBondContact O-N 2.96Å |
| 984 | E | 59.8 | Low | 60.5 | Low | 123 Ų | 123 | 89.5 Ų | 89.5 | 58% | 0.575 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.6 | -36.2 | 177.6 | -69.6 | 179.4 | 167.7 | 0 | 0 | 111.7 | E980 D986 D987 | E980-E984 PolarHBondContact O-N 3.39Å; E984-D986 PolarHBondContact O-N 3.31Å; E984-D987 PolarHBondContact O-N 3.1Å |
| 985 | C | 48.4 | Very low | 57.7 | Low | 98 Ų | 98 | 96 Ų | 96 | 66% | 0.662 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -25.2 | 174.7 | -71.3 | 0 | 0 | 0 | 0 | 113.9 | E981 | E981-C985 PolarHBondContact O-SG 2.91Å |
| 986 | D | 42.4 | Very low | 54.9 | Low | 132 Ų | 132 | 101.7 Ų | 101.7 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -87.2 | -31.3 | 179.7 | -76.6 | -19 | 0 | 0 | 0 | 112.4 | T983 E984 E988 G989 | T983-D986 PolarHBondContact O-N 3.04Å; E984-D986 PolarHBondContact O-N 3.31Å; D986-E988 PolarHBondContact O-N 2.9Å; D986-G989 PolarHBondContact O-N 3.09Å |
| 987 | D | 42.1 | Very low | 52.1 | Low | 93 Ų | 93 | 107.4 Ų | 107.4 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.6 | -25.8 | -176.2 | -105 | 1.8 | 0 | 0 | 0 | 113 | T983 E984 G989 D990 K1042 | T983-D987 PolarHBondContact O-N 2.96Å; E984-D987 PolarHBondContact O-N 3.1Å; D987-G989 PolarHBondContact O-N 2.7Å; D987-D990 PolarHBondContact O-N 3.08Å; D987-K1042 IonicContact OD2-NZ 3.7Å; D987-K1042 PolarHBondContact OD2-NZ 3.2Å |
| 988 | E | 39.2 | Very low | 49.5 | Very low | 152 Ų | 152 | 112.8 Ų | 112.8 | 71% | 0.71 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -12.3 | 175.8 | -69.2 | -165.1 | 164.2 | 0 | 0 | 113.6 | D986 | D986-E988 PolarHBondContact O-N 2.9Š|
| 989 | G | 34.1 | Very low | 47.2 | Very low | 71 Ų | 71 | 118.1 Ų | 118.1 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -13.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | D986 D987 | D986-G989 PolarHBondContact O-N 3.09Å; D987-G989 PolarHBondContact O-N 2.7Å |
| 990 | D | 28.7 | Very low | 44.7 | Very low | 110 Ų | 110 | 124 Ų | 124 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | trans | -141 | 49.6 | -164.4 | -150.5 | 5.1 | 0 | 0 | 0 | 115.6 | D987 S992 | D987-D990 PolarHBondContact O-N 3.08Å; D990-S992 PolarHBondContact O-N 2.95Å; D990-S992 PolarHBondContact OD1-OG 2.78Å | ||
| 991 | D | 36.3 | Very low | 42.4 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 89% | 0.888 | 69% | 0.688 | S | S | * | * | trans | -68.7 | 29.2 | 170.2 | -108.8 | -3.6 | 0 | 0 | 0 | 113.9 | ||||
| 992 | S | 31.8 | Very low | 40.2 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 55% | 0.552 | 71% | 0.708 | S | S | * | * | trans | -101.6 | 27.3 | -173.7 | 81.9 | 0 | 0 | 0 | 0 | 115 | D990 F994 | D990-S992 PolarHBondContact O-N 2.95Å; D990-S992 PolarHBondContact OD1-OG 2.78Å; S992-F994 VanDerWaalsContact C-N 3.32Å; S992-F994 PolarHBondContact O-N 2.86Å; S992-F994 VanDerWaalsContact O-N 3.16Å | ||
| 993 | E | 31.3 | Very low | 38.3 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | trans | -86.2 | 74 | 163.2 | -72.6 | -162.4 | 163.6 | 0 | 0 | 111.3 | D995 | E993-D995 PolarHBondContact O-N 3.32Å; E993-D995 VanDerWaalsContact O-N 3.16Å | ||
| 994 | F | 33.6 | Very low | 36.2 | Very low | 138 Ų | 138 | 139 Ų | 139 | 61% | 0.605 | 75% | 0.746 | S | S | * | * | trans | -70.9 | 98.1 | 157.6 | -74.6 | -84.9 | 0 | 0 | 0 | 108.6 | S992 D996 | S992-F994 VanDerWaalsContact C-N 3.32Å; S992-F994 PolarHBondContact O-N 2.86Å; S992-F994 VanDerWaalsContact O-N 3.16Å; F994-D996 PolarHBondContact O-N 2.87Å | ||
| 995 | D | 32.2 | Very low | 34.8 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -71.7 | 80.8 | 167.1 | -152.9 | 2.4 | 0 | 0 | 0 | 108.8 | E993 N997 | E993-D995 PolarHBondContact O-N 3.32Å; E993-D995 VanDerWaalsContact O-N 3.16Å; D995-N997 PolarHBondContact O-N 3.47Å | ||
| 996 | D | 32.8 | Very low | 33.8 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -80.9 | 83 | 166 | -86 | -23.2 | 0 | 0 | 0 | 108.4 | F994 | F994-D996 PolarHBondContact O-N 2.87Š| ||
| 997 | N | 30.3 | Very low | 33.1 | Very low | 130 Ų | 130 | 145 Ų | 145 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | -150.8 | 88.4 | 159.8 | -71.8 | -63.6 | 0 | 0 | 0 | 108.9 | D995 | D995-N997 PolarHBondContact O-N 3.47Š| ||
| 998 | D | 34.5 | Very low | 32.4 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 94% | 0.941 | 79% | 0.786 | S | S | * | * | trans | -160.4 | 74.7 | 151.3 | -87.8 | -28.4 | 0 | 0 | 0 | 107.2 | ||||
| 999 | D | 37.3 | Very low | 31.9 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -72.3 | 139.3 | 162.5 | -89.1 | -33.3 | 0 | 0 | 0 | 109.4 | ||||
| 1000 | D | 35.2 | Very low | 31.6 | Very low | 153 Ų | 153 | 152.1 Ų | 152.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -42.1 | 128.6 | 173 | -63.7 | -56.9 | 0 | 0 | 0 | 113.9 | ||||
| 1001 | D | 35.6 | Very low | 31.7 | Very low | 168 Ų | 168 | 155.5 Ų | 155.5 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -166 | 117.5 | 138.4 | -102.4 | -25.4 | 0 | 0 | 0 | 112.7 | K1003 | D1001-K1003 PolarHBondContact O-N 3.33Š| ||
| 1002 | D | 33.7 | Very low | 31.3 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -53.3 | 121.3 | 168.1 | -73.2 | -52.3 | 0 | 0 | 0 | 112.5 | ||||
| 1003 | K | 33.4 | Very low | 31.2 | Very low | 206 Ų | 206 | 159.4 Ų | 159.4 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | -168.2 | 109.1 | 140.5 | -107.8 | 161.2 | -167.2 | 171.1 | 0 | 113.5 | D1001 Q1005 | D1001-K1003 PolarHBondContact O-N 3.33Å; K1003-Q1005 PolarHBondContact O-N 3.01Å | ||
| 1004 | V | 28 | Very low | 31.2 | Very low | 140 Ų | 140 | 157.6 Ų | 157.6 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -50.5 | 123.9 | 163.5 | 179 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1005 | Q | 30.6 | Very low | 31 | Very low | 192 Ų | 192 | 156.4 Ų | 156.4 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -160.3 | 128.5 | 134.8 | -107.4 | 168.1 | 38.8 | 0 | 0 | 110.5 | K1003 | K1003-Q1005 PolarHBondContact O-N 3.01Š| ||
| 1006 | A | 26.5 | Very low | 30.8 | Very low | 91 Ų | 91 | 154.6 Ų | 154.6 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -65.4 | 145.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1007 | E | 28.7 | Very low | 30.9 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | -179.9 | 104.8 | 127.8 | -96.9 | 169.5 | -163.7 | 0 | 0 | 110.5 | |||||
| 1008 | G | 25.8 | Very low | 30.9 | Very low | 70 Ų | 70 | 155 Ų | 155 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 51.1 | 107.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1009 | F | 29.1 | Very low | 30.9 | Very low | 208 Ų | 208 | 153.1 Ų | 153.1 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | trans | -151.5 | 107.9 | 142.1 | -92.4 | -77.3 | 0 | 0 | 0 | 109.5 | ||||
| 1010 | E | 27.7 | Very low | 30.5 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -79.1 | 125.3 | 162.9 | -74.1 | 169.3 | 164.9 | 0 | 0 | 107.9 | ||||
| 1011 | Q | 30.6 | Very low | 30.4 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -115.1 | 105.7 | 162.7 | -80.8 | 178.6 | -11.7 | 0 | 0 | 106 | ||||
| 1012 | Q | 28.8 | Very low | 30.3 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | -92.8 | 108.8 | 162.2 | -82.5 | 177.2 | -36.1 | 0 | 0 | 107 | ||||
| 1013 | E | 29.6 | Very low | 30 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | trans | -77.5 | 112.7 | 154 | -75.9 | 172.4 | 152.5 | 0 | 0 | 105.8 | ||||
| 1014 | E | 30.4 | Very low | 29.9 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | trans | -115.5 | 101.7 | 177.5 | -142.6 | 174.1 | -153.7 | 0 | 0 | 107.9 | ||||
| 1015 | L | 29.7 | Very low | 30 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | trans | -85.1 | 117.1 | 160.3 | -93.2 | 134.7 | 0 | 0 | 0 | 107 | Q220 | Q220-L1015 HydrophobicContact CG-CD1 4.04Š| ||
| 1016 | C | 29.4 | Very low | 30.1 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | -105.3 | 116.9 | 169.9 | -68.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1017 | V | 33.3 | Very low | 30.3 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 60% | 0.6 | 76% | 0.763 | S | S | * | * | trans | -51.5 | 136.2 | 164.1 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | D1019 | V1017-D1019 PolarHBondContact O-N 3.06Š| ||
| 1018 | E | 30.8 | Very low | 30.5 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -76.9 | 104.6 | 173.2 | -65.6 | -168.3 | 150.6 | 0 | 0 | 109.9 | ||||
| 1019 | D | 33.8 | Very low | 30.6 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -102.6 | 122.9 | 163.8 | -92.4 | -29 | 0 | 0 | 0 | 110.9 | V1017 S1021 | V1017-D1019 PolarHBondContact O-N 3.06Å; D1019-S1021 PolarHBondContact O-N 3.46Å | ||
| 1020 | E | 29.8 | Very low | 30.7 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | trans | -66.4 | 112.3 | 168.3 | -63 | -172.9 | 143.9 | 0 | 0 | 110.5 | ||||
| 1021 | S | 33.7 | Very low | 30.9 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | 172.2 | 125.4 | 137.7 | 45.3 | 0 | 0 | 0 | 0 | 116.2 | D1019 | D1019-S1021 PolarHBondContact O-N 3.46Š| ||
| 1022 | K | 33.1 | Very low | 31 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | trans | 48.2 | 99.5 | 138.1 | -62.7 | 175.7 | -177.2 | 163.9 | 0 | 120.7 | ||||
| 1023 | S | 27.1 | Very low | 30.9 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | 45.6 | 110.6 | 130.1 | 64.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1024 | N | 30.6 | Very low | 30.9 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | 167.1 | 119.9 | 114.2 | -83.8 | -22.5 | 0 | 0 | 0 | 113.5 | |||||
| 1025 | D | 31.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | 57.8 | 114.9 | 132.5 | -84.3 | -10.9 | 0 | 0 | 0 | 124.5 | ||||
| 1026 | I | 32.4 | Very low | 30.9 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | 94.8 | 116.4 | 125.7 | -58.8 | 162.6 | 0 | 0 | 0 | 121.2 | |||||
| 1027 | G | 30.2 | Very low | 30.7 | Very low | 64 Ų | 64 | 146.5 Ų | 146.5 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | trans | 82.8 | 138.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1028 | D | 32.7 | Very low | 30.4 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | cis | -160.9 | 135.7 | 6.9 | -89.1 | -34.9 | 0 | 0 | 0 | 108.5 | ||||
| 1029 | Q | 29 | Very low | 30.2 | Very low | 166 Ų | 166 | 156.1 Ų | 156.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 13 | 128.5 | 130.9 | -68.8 | -178.5 | -8.6 | 0 | 0 | 118.9 | ||||
| 1030 | D | 31.4 | Very low | 30 | Very low | 131 Ų | 131 | 158.9 Ų | 158.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | 162.6 | 139.7 | 87.4 | -109.1 | -15.7 | 0 | 0 | 0 | 116 | |||||
| 1031 | I | 32 | Very low | 29.8 | Very low | 139 Ų | 139 | 154.6 Ų | 154.6 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 104 | 99 | 137.6 | -67.1 | 162 | 0 | 0 | 0 | 122.3 | ||||
| 1032 | V | 31.2 | Very low | 29.5 | Very low | 114 Ų | 114 | 156.2 Ų | 156.2 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | 83.1 | 96.9 | 120.3 | -179.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1033 | N | 28.1 | Very low | 29.2 | Very low | 141 Ų | 141 | 154.4 Ų | 154.4 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | 49 | 117.7 | 109.5 | -78.7 | -13.6 | 0 | 0 | 0 | 121 | |||||
| 1034 | Q | 29.4 | Very low | 29.2 | Very low | 162 Ų | 162 | 158.1 Ų | 158.1 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | 162.7 | 134.8 | 105.5 | -99.9 | 175.4 | 34.3 | 0 | 0 | 115.4 | |||||
| 1035 | K | 28.9 | Very low | 29 | Very low | 176 Ų | 176 | 156.4 Ų | 156.4 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | 85.3 | 105.7 | 152.9 | -64.9 | 166.8 | -177.5 | 179.2 | 0 | 119 | ||||
| 1036 | K | 29.8 | Very low | 29 | Very low | 211 Ų | 211 | 156.4 Ų | 156.4 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | -176.5 | 115.4 | 100.6 | -97.5 | 168 | -179.7 | 179.3 | 0 | 111.9 | |||||
| 1037 | K | 27.1 | Very low | 28.9 | Very low | 203 Ų | 203 | 156.8 Ų | 156.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -75.8 | 125.1 | 163.1 | -77.7 | 178.3 | 168.9 | -175.6 | 0 | 109.3 | ||||
| 1038 | K | 26.5 | Very low | 28.9 | Very low | 205 Ų | 205 | 160.5 Ų | 160.5 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | 164 | 126.1 | 148 | -95.8 | 178.7 | 179.3 | -172.2 | 0 | 106.7 | ||||
| 1039 | R | 27 | Very low | 28.9 | Very low | 253 Ų | 253 | 159.1 Ų | 159.1 | 96% | 0.955 | 79% | 0.792 | S | S | * | * | trans | 95.8 | 73.4 | -171.3 | -58.7 | -178.9 | 165.4 | -178.5 | -5.1 | 115 | ||||
| 1040 | K | 27.6 | Very low | 29 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -154.6 | 95.8 | 152 | -85.2 | -161.3 | 177.2 | -175.4 | 0 | 106.9 | ||||
| 1041 | A | 25.7 | Very low | 29 | Very low | 99 Ų | 99 | 160.3 Ų | 160.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -166.2 | 69.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 1042 | K | 27.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 163.5 Ų | 163.5 | 62% | 0.617 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -178.6 | 130.6 | 161.6 | -104 | 171.8 | 177.4 | 172 | 0 | 103.4 | D987 | D987-K1042 IonicContact OD2-NZ 3.7Å; D987-K1042 PolarHBondContact OD2-NZ 3.2Å |
| 1043 | D | 27.6 | Very low | 28.7 | Very low | 155 Ų | 155 | 161.3 Ų | 161.3 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | 84.8 | 94 | 174.6 | -44.7 | -25.8 | 0 | 0 | 0 | 116.9 | ||||
| 1044 | N | 27.8 | Very low | 28.6 | Very low | 173 Ų | 173 | 162 Ų | 162 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -160.2 | 74.1 | 144.7 | -114 | 8.4 | 0 | 0 | 0 | 110.6 | ||||
| 1045 | S | 26.5 | Very low | 28.5 | Very low | 112 Ų | 112 | 161.4 Ų | 161.4 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -139.3 | 53 | 158 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1046 | N | 30.1 | Very low | 28.6 | Very low | 138 Ų | 138 | 160.5 Ų | 160.5 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | trans | -114.8 | 103.2 | 163.9 | -78.9 | -0.4 | 0 | 0 | 0 | 108.4 | ||||
| 1047 | N | 31.6 | Very low | 28.4 | Very low | 161 Ų | 161 | 158.4 Ų | 158.4 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -99.1 | 96.7 | 155.2 | -89.1 | -25 | 0 | 0 | 0 | 106.5 | ||||
| 1048 | D | 29.6 | Very low | 28.4 | Very low | 141 Ų | 141 | 153 Ų | 153 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -68.4 | 127.1 | 157.1 | -67.1 | -44.8 | 0 | 0 | 0 | 108.6 | ||||
| 1049 | D | 32.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 147 Ų | 147 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | trans | -152.8 | 109.6 | 153.1 | -99.4 | -31.5 | 0 | 0 | 0 | 108.5 | R948 | R948-D1049 IonicContact CZ-OD2 3.2Å; R948-D1049 IonicContact NE-OD2 2.63Å; R948-D1049 IonicContact NH2-OD2 2.93Å; R948-D1049 PolarHBondContact NH2-OD2 2.83Å | ||
| 1050 | M | 31.5 | Very low | 28.6 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -54.6 | 137.4 | -179.7 | -67.6 | -172.3 | -87.7 | 0 | 0 | 114.2 | ||||
| 1051 | Q | 31.7 | Very low | 28.5 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -152 | 117.7 | 141.3 | -112.2 | 161.1 | 29.5 | 0 | 0 | 110.6 | G1053 | Q1051-G1053 PolarHBondContact O-N 2.84Š| ||
| 1052 | Q | 27.3 | Very low | 28.6 | Very low | 206 Ų | 206 | 139 Ų | 139 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | trans | -58.1 | 118.5 | 168.7 | -74.3 | 164.8 | -25.2 | 0 | 0 | 110.1 | ||||
| 1053 | G | 28.3 | Very low | 28.5 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -147.3 | 107.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | Q1051 | Q1051-G1053 PolarHBondContact O-N 2.84Š| ||
| 1054 | D | 26.4 | Very low | 28.4 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -54.6 | 144.4 | 173.6 | -62.5 | -50.8 | 0 | 0 | 0 | 110.2 | ||||
| 1055 | D | 28.1 | Very low | 28.4 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 95.2 | 116.6 | 174.1 | -49.3 | -30.7 | 0 | 0 | 0 | 116.4 | ||
| 1056 | D | 30.1 | Very low | 28.5 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 107.7 | 13.2 | 159.3 | -57.9 | -22.7 | 0 | 0 | 0 | 122.7 | ||||
| 1057 | D | 26.8 | Very low | 28.6 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -104.8 | 82.5 | 174.4 | -77.7 | -32.5 | 0 | 0 | 0 | 114.3 | ||||
| 1058 | A | 27.2 | Very low | 28.7 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | -121.9 | 15 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1059 | A | 29.2 | Very low | 28.8 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -114.3 | 12.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1060 | A | 27.3 | Very low | 29.1 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -101.9 | 3.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1061 | D | 26 | Very low | 29.6 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | trans | -101.6 | 17.1 | 176.3 | -104 | -1.9 | 0 | 0 | 0 | 113.8 | S1063 | D1061-S1063 PolarHBondContact O-N 2.95Š| ||
| 1062 | T | 27.4 | Very low | 29.8 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 83% | 0.828 | 69% | 0.686 | S | S | * | * | trans | -78.8 | 67 | 169.7 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1063 | S | 25.5 | Very low | 30.3 | Very low | 84 Ų | 84 | 113.7 Ų | 113.7 | 59% | 0.587 | 67% | 0.672 | S | S | * | * | trans | -102.3 | 129.1 | 155.1 | 48.1 | 0 | 0 | 0 | 0 | 107.7 | D1061 | D1061-S1063 PolarHBondContact O-N 2.95Š| ||
| 1064 | D | 25.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 112.4 Ų | 112.4 | 67% | 0.668 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 67.8 | 100.6 | 164.5 | -49.6 | -30.5 | 0 | 0 | 0 | 116.8 | ||
| 1065 | V | 27.5 | Very low | 32.2 | Very low | 111 Ų | 111 | 108.9 Ų | 108.9 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | S | Bend | 168.9 | 103 | 122.7 | 168.7 | 0 | 0 | 0 | 0 | 109.1 | |||
| 1066 | N | 29.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 105.4 Ų | 105.4 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 78.4 | 10.8 | 152.2 | -64.7 | -35.5 | 0 | 0 | 0 | 123.2 | ||
| 1067 | T | 31.8 | Very low | 35.2 | Very low | 108 Ų | 108 | 99.7 Ų | 99.7 | 66% | 0.663 | 59% | 0.585 | S | S | * | * | trans | -96.4 | -14 | 176.3 | 28.5 | 0 | 0 | 0 | 0 | 116.4 | D1069 D1070 | T1067-D1069 PolarHBondContact O-N 2.72Å; T1067-D1070 PolarHBondContact O-N 2.74Å | ||
| 1068 | E | 32.8 | Very low | 37 | Very low | 164 Ų | 164 | 93.1 Ų | 93.1 | 77% | 0.766 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.3 | -34.9 | -172 | -63.2 | -163.9 | 152.4 | 0 | 0 | 114 | D1070 I1072 | E1068-D1070 VanDerWaalsContact C-N 3.29Å; E1068-D1070 PolarHBondContact O-N 3.25Å; E1068-I1072 VanDerWaalsContact O-CD1 3.28Å; E1068-I1072 WeakPolarHBondContact O-CD1 3.37Å; E1068-I1072 VanDerWaalsContact O-CG1 3.25Å; E1068-I1072 WeakPolarHBondContact O-CG1 3.43Å |
| 1069 | D | 33.4 | Very low | 39 | Very low | 117 Ų | 117 | 88.9 Ų | 88.9 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.8 | -24.7 | -178.5 | -81.9 | -24.6 | 0 | 0 | 0 | 113.8 | T1067 | T1067-D1069 PolarHBondContact O-N 2.72Å |
| 1070 | D | 38 | Very low | 41.1 | Very low | 34 Ų | 34 | 86.3 Ų | 86.3 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -82.3 | -25.1 | -171.8 | -111.6 | 6.3 | 0 | 0 | 0 | 112.7 | R557 N561 K618 T1067 E1068 | R557-D1070 IonicContact CZ-OD1 3.22Å; R557-D1070 IonicContact NH1-OD1 2.7Å; R557-D1070 PolarHBondContact NH1-OD1 3.18Å; R557-D1070 IonicContact NH1-OD2 3.6Å; R557-D1070 PolarHBondContact NH1-OD2 2.79Å; R557-D1070 IonicContact NH2-OD1 2.77Å; N561-D1070 PolarHBondContact ND2-OD1 2.82Å; N561-D1070 VanDerWaalsContact ND2-OD1 3.17Å; K618-D1070 IonicContact NZ-OD2 3.72Å; K618-D1070 PolarHBondContact NZ-OD2 3.24Å; K618-D1070 VanDerWaalsContact NZ-OD2 3.17Å; T1067-D1070 PolarHBondContact O-N 2.74Å; E1068-D1070 VanDerWaalsContact C-N 3.29Å; E1068-D1070 PolarHBondContact O-N 3.25Å |
| 1071 | D | 41.5 | Very low | 43 | Very low | 69 Ų | 69 | 85 Ų | 85 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -90.5 | -24.6 | 178.5 | -82.2 | -32 | 0 | 0 | 0 | 113.1 | K658 I1073 L1074 S1075 | K658-D1071 IonicContact NZ-OD1 2.64Å; K658-D1071 PolarHBondContact NZ-OD1 3.08Å; K658-D1071 IonicContact NZ-OD2 3.86Å; D1071-I1073 PolarHBondContact O-N 3.34Å; D1071-I1073 VanDerWaalsContact O-N 3.11Å; D1071-L1074 PolarHBondContact O-N 2.98Å; D1071-S1075 WeakPolarHBondContact O-CB 3.36Å; D1071-S1075 PolarHBondContact O-N 3.49Å; D1071-S1075 PolarHBondContact O-OG 2.85Å |
| 1072 | I | 35.6 | Very low | 44.9 | Very low | 82 Ų | 82 | 81.1 Ų | 81.1 | 42% | 0.421 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.3 | -175.8 | -68.1 | 165.2 | 0 | 0 | 0 | 113 | E1068 | E1068-I1072 VanDerWaalsContact O-CD1 3.28Å; E1068-I1072 WeakPolarHBondContact O-CD1 3.37Å; E1068-I1072 VanDerWaalsContact O-CG1 3.25Å; E1068-I1072 WeakPolarHBondContact O-CG1 3.43Å |
| 1073 | I | 38.9 | Very low | 47.3 | Very low | 131 Ų | 131 | 75.5 Ų | 75.5 | 67% | 0.672 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13 | -175.3 | -58.3 | 177 | 0 | 0 | 0 | 113.1 | D1071 | D1071-I1073 PolarHBondContact O-N 3.34Å; D1071-I1073 VanDerWaalsContact O-N 3.11Å |
| 1074 | L | 46 | Very low | 50 | Low | 41 Ų | 41 | 76.2 Ų | 76.2 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | -7.3 | -175 | -69.2 | 170.9 | 0 | 0 | 0 | 114.9 | R661 V662 K665 D1071 | R661-L1074 HydrophobicContact CG-CD2 4.42Å; V662-L1074 HydrophobicContact CG2-CD1 4.45Å; K665-L1074 HydrophobicContact CD-CD2 4.24Å; D1071-L1074 PolarHBondContact O-N 2.98Å |
| 1075 | S | 48.3 | Very low | 52.7 | Low | 82 Ų | 82 | 70.5 Ų | 70.5 | 57% | 0.573 | 39% | 0.394 | S | S | * | . | trans | -91.1 | -10.3 | 179 | 70.8 | 0 | 0 | 0 | 0 | 114.4 | D1071 D1077 | D1071-S1075 WeakPolarHBondContact O-CB 3.36Å; D1071-S1075 PolarHBondContact O-N 3.49Å; D1071-S1075 PolarHBondContact O-OG 2.85Å; S1075-D1077 PolarHBondContact O-N 2.97Å | ||
| 1076 | E | 53.2 | Low | 55.3 | Low | 76 Ų | 76 | 66 Ų | 66 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -63.7 | 122.8 | 180 | -68.1 | -169.6 | 163.6 | 0 | 0 | 110.6 | M1086 | E1076-M1086 WeakPolarHBondContact OE1-CE 3.23Š|
| 1077 | D | 67 | Low | 57.9 | Low | 38 Ų | 38 | 67.6 Ų | 67.6 | 20% | 0.203 | 38% | 0.375 | C | S | . | . | trans | -48.9 | 125.9 | 171.8 | -172.4 | -41.3 | 0 | 0 | 0 | 108.4 | R751 S1075 I1079 Y1080 S1081 | R751-D1077 IonicContact CZ-OD2 2.81Å; R751-D1077 IonicContact NH2-OD1 3.35Å; R751-D1077 IonicContact NH2-OD2 2.67Å; R751-D1077 PolarHBondContact NH2-OD2 3.02Å; S1075-D1077 PolarHBondContact O-N 2.97Å; D1077-I1079 PolarHBondContact O-N 2.95Å; D1077-I1079 PolarHBondContact OD1-N 3.01Å; D1077-Y1080 HydrophobicContact CB-CD2 3.39Å; D1077-Y1080 HydrophobicContact CB-CE2 3.35Å; D1077-Y1080 HydrophobicContact CB-CG 3.99Å; D1077-Y1080 PolarHBondContact O-N 3.12Å; D1077-S1081 PolarHBondContact O-N 2.75Å | ||
| 1078 | P | 64.8 | Low | 60.5 | Low | 29 Ų | 29 | 64.7 Ų | 64.7 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.5 | -27.2 | -172.9 | 18.2 | -30.7 | 0 | 0 | 0 | 112.8 | A755 S1081 | A755-P1078 HydrophobicContact CB-CB 4.28Å; P1078-S1081 PolarHBondContact O-OG 3.2Å |
| 1079 | I | 70 | Confident | 63.1 | Low | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 175.5 | -68.9 | 165.9 | 0 | 0 | 0 | 111.7 | R751 A755 Y801 A802 L805 D1077 T1082 | R751-I1079 HydrophobicContact CB-CD1 3.47Å; R751-I1079 VanDerWaalsContact CB-CD1 3.47Å; R751-I1079 HydrophobicContact CG-CD1 3.69Å; A755-I1079 HydrophobicContact CB-CG1 3.87Å; Y801-I1079 HydrophobicContact CE2-CG2 4.38Å; A802-I1079 HydrophobicContact CB-CD1 3.66Å; L805-I1079 HydrophobicContact CD1-CG2 3.65Å; D1077-I1079 PolarHBondContact O-N 2.95Å; D1077-I1079 PolarHBondContact OD1-N 3.01Å; I1079-T1082 PolarHBondContact O-OG1 3.36Å |
| 1080 | Y | 72.5 | Confident | 65.7 | Low | 24 Ų | 24 | 56.2 Ų | 56.2 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.6 | -39.8 | -175.4 | -53.1 | -28.9 | 0 | 0 | 0 | 112 | Y801 Y906 D1077 T1082 D1083 M1086 | Y801-Y1080 HydrophobicContact CE2-CE1 4.27Å; Y801-Y1080 WeakPolarHBondContact OH-CE1 3.39Å; Y801-Y1080 PolarHBondContact OH-OH 3.17Å; Y906-Y1080 AromaticContact CD1-CD1 3.17Å; Y906-Y1080 HydrophobicContact CD1-CD1 3.17Å; Y906-Y1080 HydrophobicContact CD1-CD2 4.45Å; Y906-Y1080 AromaticContact CD1-CE1 3.33Å; Y906-Y1080 HydrophobicContact CD1-CE1 3.33Å; Y906-Y1080 AromaticContact CD1-CG 3.83Å; Y906-Y1080 HydrophobicContact CD1-CG 3.83Å; Y906-Y1080 AromaticContact CD2-CD1 3.99Å; Y906-Y1080 HydrophobicContact CD2-CD1 3.99Å; Y906-Y1080 HydrophobicContact CD2-CG 4.1Å; Y906-Y1080 AromaticContact CE1-CD1 3.45Å; Y906-Y1080 HydrophobicContact CE1-CD1 3.45Å; Y906-Y1080 VanDerWaalsContact CE1-CD1 3.45Å; Y906-Y1080 AromaticContact CE1-CE1 3.63Å; Y906-Y1080 HydrophobicContact CE1-CE1 3.63Å; Y906-Y1080 HydrophobicContact CE1-CG 4.43Å; Y906-Y1080 HydrophobicContact CE2-CD1 4.22Å; Y906-Y1080 AromaticContact CG-CD1 3.46Å; Y906-Y1080 HydrophobicContact CG-CD1 3.46Å; Y906-Y1080 VanDerWaalsContact CG-CD1 3.46Å; Y906-Y1080 HydrophobicContact CG-CD2 4.25Å; Y906-Y1080 HydrophobicContact CG-CE1 4.02Å; Y906-Y1080 AromaticContact CG-CG 3.62Å; Y906-Y1080 HydrophobicContact CG-CG 3.62Å; Y906-Y1080 AromaticContact CZ-CD1 3.98Å; D1077-Y1080 HydrophobicContact CB-CD2 3.39Å; D1077-Y1080 HydrophobicContact CB-CE2 3.35Å; D1077-Y1080 HydrophobicContact CB-CG 3.99Å; D1077-Y1080 PolarHBondContact O-N 3.12Å; Y1080-T1082 PolarHBondContact O-N 3.02Å; Y1080-D1083 PolarHBondContact O-N 3.32Å; Y1080-M1086 WeakPolarHBondContact O-CG 3.49Å |
| 1081 | S | 66.9 | Low | 68.2 | Low | 65 Ų | 65 | 57.1 Ų | 57.1 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.1 | -22.3 | -176.8 | 70 | 0 | 0 | 0 | 0 | 113.8 | D1077 P1078 | D1077-S1081 PolarHBondContact O-N 2.75Å; P1078-S1081 PolarHBondContact O-OG 3.2Å |
| 1082 | T | 67.6 | Low | 70.6 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -14.1 | 179.3 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | I1079 Y1080 | I1079-T1082 PolarHBondContact O-OG1 3.36Å; Y1080-T1082 PolarHBondContact O-N 3.02Å |
| 1083 | D | 76.8 | Confident | 73.3 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -84.9 | 124.5 | -178.9 | -167.1 | -37.6 | 0 | 0 | 0 | 110.8 | R866 Y906 Y1080 I1085 M1086 | R866-D1083 IonicContact CZ-OD1 3.84Å; R866-D1083 IonicContact CZ-OD2 2.9Å; R866-D1083 IonicContact NH1-OD1 3.21Å; R866-D1083 IonicContact NH1-OD2 2.91Å; R866-D1083 PolarHBondContact NH1-OD2 2.96Å; R866-D1083 IonicContact NH2-OD1 2.66Å; R866-D1083 PolarHBondContact NH2-OD1 2.84Å; R866-D1083 IonicContact NH2-OD2 2.73Å; R866-D1083 PolarHBondContact NH2-OD2 3.23Å; Y906-D1083 HydrophobicContact CE2-CB 3.77Å; Y906-D1083 PolarHBondContact OH-OD2 3.45Å; Y906-D1083 VanDerWaalsContact OH-OD2 3.09Å; Y1080-D1083 PolarHBondContact O-N 3.32Å; D1083-I1085 HydrophobicContact CB-CG2 4.05Å; D1083-I1085 PolarHBondContact O-N 2.65Å; D1083-I1085 WeakPolarHBondContact OD1-CG2 3.47Å; D1083-I1085 PolarHBondContact OD1-N 2.96Å; D1083-M1086 PolarHBondContact O-N 2.96Å |
| 1084 | P | 82.3 | Confident | 75.9 | Confident | 99 Ų | 99 | 52.7 Ų | 52.7 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -54 | -19.9 | 178.3 | -27.3 | 34.4 | 0 | 0 | 0 | 115.6 | M1086 N1087 | P1084-M1086 PolarHBondContact O-N 3.5Å; P1084-N1087 PolarHBondContact O-N 3.21Å |
| 1085 | I | 83.4 | Confident | 78 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -61.9 | -29.5 | -179.5 | -163.3 | 162.5 | 0 | 0 | 0 | 113.7 | Y906 Q909 V910 M913 D1083 N1087 V1088 | Y906-I1085 HydrophobicContact CD2-CG2 3.69Å; Y906-I1085 HydrophobicContact CE2-CG2 3.42Å; Y906-I1085 VanDerWaalsContact CE2-CG2 3.42Å; Q909-I1085 HydrophobicContact CB-CD1 4.18Å; Q909-I1085 HydrophobicContact CB-CG1 4.11Å; Q909-I1085 PolarHBondContact OE1-O 3.23Å; V910-I1085 HydrophobicContact CB-CD1 4.37Å; V910-I1085 HydrophobicContact CG2-CD1 3.8Å; V910-I1085 HydrophobicContact CG2-CG2 4.25Å; M913-I1085 HydrophobicContact CB-CD1 4.48Å; M913-I1085 HydrophobicContact CG-CD1 4.31Å; M913-I1085 HydrophobicContact SD-CD1 3.36Å; M913-I1085 WeakPolarHBondContact SD-CD1 3.5Å; M913-I1085 HydrophobicContact SD-CG1 3.56Å; M913-I1085 VanDerWaalsContact SD-CG1 3.56Å; D1083-I1085 HydrophobicContact CB-CG2 4.05Å; D1083-I1085 PolarHBondContact O-N 2.65Å; D1083-I1085 WeakPolarHBondContact OD1-CG2 3.47Å; D1083-I1085 PolarHBondContact OD1-N 2.96Å; I1085-N1087 PolarHBondContact O-N 2.93Å; I1085-N1087 VanDerWaalsContact O-N 3.1Å; I1085-V1088 WeakPolarHBondContact O-CB 3.44Å; I1085-V1088 WeakPolarHBondContact O-CG2 3.29Å; I1085-V1088 PolarHBondContact O-N 3.13Å |
| 1086 | M | 81.7 | Confident | 80.1 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -61.4 | -24.4 | -179.2 | -71.4 | -59.7 | -69 | 0 | 0 | 112.7 | R905 Y906 E1076 Y1080 D1083 P1084 V1088 | R905-M1086 HydrophobicContact CG-CE 4.37Å; R905-M1086 PolarHBondContact NH2-O 3.41Å; Y906-M1086 HydrophobicContact CD2-CG 4.06Å; Y906-M1086 HydrophobicContact CD2-SD 3.64Å; Y906-M1086 HydrophobicContact CG-SD 4.15Å; E1076-M1086 WeakPolarHBondContact OE1-CE 3.23Å; Y1080-M1086 WeakPolarHBondContact O-CG 3.49Å; D1083-M1086 PolarHBondContact O-N 2.96Å; P1084-M1086 PolarHBondContact O-N 3.5Å; M1086-V1088 VanDerWaalsContact C-N 3.35Å |
| 1087 | N | 83.5 | Confident | 81.9 | Confident | 149 Ų | 149 | 49.2 Ų | 49.2 | 80% | 0.797 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -85.4 | -2.4 | 177.9 | -63.4 | -44.4 | 0 | 0 | 0 | 114 | P1084 I1085 | P1084-N1087 PolarHBondContact O-N 3.21Å; I1085-N1087 PolarHBondContact O-N 2.93Å; I1085-N1087 VanDerWaalsContact O-N 3.1Å |
| 1088 | V | 85.3 | Confident | 83 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 29% | 0.285 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -83.4 | 127.3 | 180 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | Q909 M913 I1085 M1086 L1090 F1093 | Q909-V1088 PolarHBondContact NE2-O 2.89Å; Q909-V1088 VanDerWaalsContact NE2-O 3.07Å; M913-V1088 HydrophobicContact SD-CG1 4.47Å; I1085-V1088 WeakPolarHBondContact O-CB 3.44Å; I1085-V1088 WeakPolarHBondContact O-CG2 3.29Å; I1085-V1088 PolarHBondContact O-N 3.13Å; M1086-V1088 VanDerWaalsContact C-N 3.35Å; V1088-L1090 PolarHBondContact O-N 2.98Å; V1088-F1093 HydrophobicContact CG1-CB 4.21Å |
| 1089 | D | 88.4 | Confident | 84.2 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | trans | -71.3 | 110.2 | 165.7 | -176.1 | -20.1 | 0 | 0 | 0 | 109 | K1091 E1092 F1093 | D1089-K1091 VanDerWaalsContact C-N 3.32Å; D1089-K1091 PolarHBondContact O-N 3.4Å; D1089-K1091 WeakPolarHBondContact OD1-CB 3.31Å; D1089-K1091 PolarHBondContact OD1-N 2.84Å; D1089-E1092 HydrophobicContact CB-CB 4Å; D1089-E1092 PolarHBondContact OD1-N 3.31Å; D1089-F1093 WeakPolarHBondContact O-CB 3.3Å; D1089-F1093 PolarHBondContact O-N 3.35Å | ||
| 1090 | L | 88.3 | Confident | 85.1 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.5 | -34.9 | -176.5 | -172 | 62 | 0 | 0 | 0 | 112 | I908 Q909 T912 V1088 F1093 L1094 | I908-L1090 HydrophobicContact CG2-CD2 3.93Å; Q909-L1090 HydrophobicContact CG-CB 4.47Å; Q909-L1090 HydrophobicContact CG-CD1 4.4Å; Q909-L1090 HydrophobicContact CG-CD2 4.29Å; T912-L1090 HydrophobicContact CG2-CD1 3.88Å; V1088-L1090 PolarHBondContact O-N 2.98Å; L1090-F1093 HydrophobicContact CD1-CD1 4.34Å; L1090-F1093 PolarHBondContact O-N 3.13Å; L1090-L1094 HydrophobicContact CD1-CD1 4.46Å; L1090-L1094 HydrophobicContact CD1-CG 4.43Å; L1090-L1094 HydrophobicContact CG-CD1 4.06Å; L1090-L1094 HydrophobicContact CG-CG 4.44Å; L1090-L1094 WeakPolarHBondContact O-CB 3.25Å; L1090-L1094 VanDerWaalsContact O-CG 3.3Å; L1090-L1094 WeakPolarHBondContact O-CG 3.24Å; L1090-L1094 PolarHBondContact O-N 3.1Å |
| 1091 | K | 90.5 | Very high | 85.9 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.4 | -47.9 | 179.4 | 176.9 | -174.9 | 169.6 | -175.5 | 0 | 110.1 | L975 E982 D1089 F1093 L1094 C1095 | L975-K1091 HydrophobicContact CD1-CG 4.2Å; E982-K1091 WeakPolarHBondContact OE1-CD 3.14Å; E982-K1091 IonicContact OE1-NZ 3.5Å; E982-K1091 PolarHBondContact OE1-NZ 3.43Å; E982-K1091 IonicContact OE2-NZ 3.54Å; E982-K1091 PolarHBondContact OE2-NZ 2.79Å; D1089-K1091 VanDerWaalsContact C-N 3.32Å; D1089-K1091 PolarHBondContact O-N 3.4Å; D1089-K1091 WeakPolarHBondContact OD1-CB 3.31Å; D1089-K1091 PolarHBondContact OD1-N 2.84Å; K1091-F1093 VanDerWaalsContact C-N 3.3Å; K1091-F1093 PolarHBondContact O-N 2.69Å; K1091-L1094 PolarHBondContact O-N 3.12Å; K1091-C1095 WeakPolarHBondContact O-CB 3.16Å; K1091-C1095 PolarHBondContact O-N 3.43Å; K1091-C1095 PolarHBondContact O-SG 3.42Å; K1091-C1095 VanDerWaalsContact O-SG 3.37Å |
| 1092 | E | 91.3 | Very high | 86.8 | Confident | 139 Ų | 139 | 50 Ų | 50 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 176.6 | -168.9 | -179.4 | -174.6 | 0 | 0 | 110.9 | D1089 S1096 | D1089-E1092 HydrophobicContact CB-CB 4Å; D1089-E1092 PolarHBondContact OD1-N 3.31Å; E1092-S1096 WeakPolarHBondContact O-CB 3.32Å; E1092-S1096 PolarHBondContact O-N 3.47Å |
| 1093 | F | 92.4 | Very high | 87.6 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 175.8 | 173.2 | -99 | 0 | 0 | 0 | 112.5 | M913 A916 V1088 D1089 L1090 K1091 S1096 F1097 | M913-F1093 HydrophobicContact CB-CE1 4.44Å; M913-F1093 HydrophobicContact CB-CZ 4.42Å; M913-F1093 HydrophobicContact CE-CD2 4.23Å; M913-F1093 HydrophobicContact CE-CE2 3.98Å; M913-F1093 HydrophobicContact CE-CZ 4.29Å; M913-F1093 HydrophobicContact CG-CD1 4.16Å; M913-F1093 HydrophobicContact CG-CE1 3.77Å; M913-F1093 HydrophobicContact CG-CZ 3.97Å; A916-F1093 HydrophobicContact CB-CE1 3.95Å; A916-F1093 HydrophobicContact CB-CZ 3.77Å; V1088-F1093 HydrophobicContact CG1-CB 4.21Å; D1089-F1093 WeakPolarHBondContact O-CB 3.3Å; D1089-F1093 PolarHBondContact O-N 3.35Å; L1090-F1093 HydrophobicContact CD1-CD1 4.34Å; L1090-F1093 PolarHBondContact O-N 3.13Å; K1091-F1093 VanDerWaalsContact C-N 3.3Å; K1091-F1093 PolarHBondContact O-N 2.69Å; F1093-S1096 PolarHBondContact O-N 3.04Å; F1093-F1097 VanDerWaalsContact O-CB 3.23Å; F1093-F1097 WeakPolarHBondContact O-CB 3.32Å; F1093-F1097 PolarHBondContact O-N 2.66Å |
| 1094 | L | 92.7 | Very high | 88 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | -179 | -77 | 173.8 | 0 | 0 | 0 | 112 | T912 L971 E974 L975 L1090 K1091 S1096 F1097 L1098 | T912-L1094 HydrophobicContact CG2-CD1 4.2Å; T912-L1094 HydrophobicContact CG2-CD2 3.62Å; T912-L1094 HydrophobicContact CG2-CG 4.19Å; L971-L1094 HydrophobicContact CB-CD2 4.14Å; L971-L1094 HydrophobicContact CD2-CD2 4.04Å; E974-L1094 HydrophobicContact CB-CD1 4.28Å; L975-L1094 HydrophobicContact CB-CB 4.43Å; L975-L1094 HydrophobicContact CB-CD1 4.06Å; L975-L1094 HydrophobicContact CD1-CB 4.15Å; L975-L1094 HydrophobicContact CD2-CB 4.46Å; L1090-L1094 HydrophobicContact CD1-CD1 4.46Å; L1090-L1094 HydrophobicContact CD1-CG 4.43Å; L1090-L1094 HydrophobicContact CG-CD1 4.06Å; L1090-L1094 HydrophobicContact CG-CG 4.44Å; L1090-L1094 WeakPolarHBondContact O-CB 3.25Å; L1090-L1094 VanDerWaalsContact O-CG 3.3Å; L1090-L1094 WeakPolarHBondContact O-CG 3.24Å; L1090-L1094 PolarHBondContact O-N 3.1Å; K1091-L1094 PolarHBondContact O-N 3.12Å; L1094-S1096 PolarHBondContact O-N 2.85Å; L1094-F1097 PolarHBondContact O-N 3.14Å; L1094-L1098 WeakPolarHBondContact O-CB 3.45Å; L1094-L1098 VanDerWaalsContact O-CG 3.31Å; L1094-L1098 WeakPolarHBondContact O-CG 3.44Å; L1094-L1098 PolarHBondContact O-N 3.15Å |
| 1095 | C | 91.2 | Very high | 87.8 | Confident | 36 Ų | 36 | 58.5 Ų | 58.5 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 175.7 | -76.9 | 0 | 0 | 0 | 0 | 111.7 | K1091 S1099 | K1091-C1095 WeakPolarHBondContact O-CB 3.16Å; K1091-C1095 PolarHBondContact O-N 3.43Å; K1091-C1095 PolarHBondContact O-SG 3.42Å; K1091-C1095 VanDerWaalsContact O-SG 3.37Å; C1095-S1099 VanDerWaalsContact O-CB 3.22Å; C1095-S1099 WeakPolarHBondContact O-CB 3.46Å; C1095-S1099 PolarHBondContact O-N 2.67Å |
| 1096 | S | 91.4 | Very high | 87.7 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | E1092 F1093 L1094 S1099 D1100 | E1092-S1096 WeakPolarHBondContact O-CB 3.32Å; E1092-S1096 PolarHBondContact O-N 3.47Å; F1093-S1096 PolarHBondContact O-N 3.04Å; L1094-S1096 PolarHBondContact O-N 2.85Å; S1096-S1099 PolarHBondContact O-N 2.73Å; S1096-D1100 WeakPolarHBondContact O-CB 3.19Å; S1096-D1100 PolarHBondContact O-N 2.95Å |
| 1097 | F | 92.2 | Very high | 87.7 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -47.5 | -178 | 178 | -97.2 | 0 | 0 | 0 | 112.2 | A916 I919 L971 F1093 L1094 D1100 L1101 | A916-F1097 HydrophobicContact CB-CD1 4.32Å; A916-F1097 HydrophobicContact CB-CD2 3.95Å; A916-F1097 HydrophobicContact CB-CE1 4.07Å; A916-F1097 HydrophobicContact CB-CE2 3.68Å; A916-F1097 HydrophobicContact CB-CG 4.26Å; A916-F1097 HydrophobicContact CB-CZ 3.74Å; I919-F1097 HydrophobicContact CB-CZ 4.3Å; I919-F1097 HydrophobicContact CG2-CZ 4.23Å; L971-F1097 HydrophobicContact CD1-CD1 3.99Å; L971-F1097 HydrophobicContact CD1-CE1 3.51Å; L971-F1097 HydrophobicContact CD1-CZ 4.35Å; F1093-F1097 VanDerWaalsContact O-CB 3.23Å; F1093-F1097 WeakPolarHBondContact O-CB 3.32Å; F1093-F1097 PolarHBondContact O-N 2.66Å; L1094-F1097 PolarHBondContact O-N 3.14Å; F1097-D1100 PolarHBondContact O-N 3.48Å; F1097-L1101 HydrophobicContact CE1-CD2 4.25Å; F1097-L1101 VanDerWaalsContact O-CB 3.31Å; F1097-L1101 WeakPolarHBondContact O-CB 3.49Å; F1097-L1101 PolarHBondContact O-N 3Å |
| 1098 | L | 90.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.5 | -37.3 | -180 | -68.2 | 169.3 | 0 | 0 | 0 | 111.7 | Y968 L972 L975 L1094 L1101 S1102 I1125 I1127 | Y968-L1098 HydrophobicContact CD2-CD2 3.83Å; Y968-L1098 HydrophobicContact CE2-CD2 3.52Å; L972-L1098 HydrophobicContact CD2-CD1 3.66Å; L972-L1098 HydrophobicContact CD2-CD2 4.28Å; L972-L1098 HydrophobicContact CG-CD1 4.49Å; L975-L1098 HydrophobicContact CD2-CD1 3.55Å; L1094-L1098 WeakPolarHBondContact O-CB 3.45Å; L1094-L1098 VanDerWaalsContact O-CG 3.31Å; L1094-L1098 WeakPolarHBondContact O-CG 3.44Å; L1094-L1098 PolarHBondContact O-N 3.15Å; L1098-L1101 PolarHBondContact O-N 2.88Å; L1098-S1102 WeakPolarHBondContact O-CB 3.15Å; L1098-S1102 PolarHBondContact O-N 3.12Å; L1098-I1125 HydrophobicContact CD1-CD1 4.31Å; L1098-I1127 HydrophobicContact CB-CD1 3.84Å |
| 1099 | S | 89.3 | Confident | 87.5 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 174.2 | -174 | 0 | 0 | 0 | 0 | 111.4 | C1095 S1096 L1101 S1102 Q1103 | C1095-S1099 VanDerWaalsContact O-CB 3.22Å; C1095-S1099 WeakPolarHBondContact O-CB 3.46Å; C1095-S1099 PolarHBondContact O-N 2.67Å; S1096-S1099 PolarHBondContact O-N 2.73Å; S1099-L1101 PolarHBondContact O-N 3.41Å; S1099-S1102 PolarHBondContact O-N 3.04Å; S1099-S1102 PolarHBondContact O-OG 2.83Å; S1099-Q1103 PolarHBondContact O-N 3.36Å |
| 1100 | D | 89 | Confident | 87.3 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177 | -74.3 | -17.7 | 0 | 0 | 0 | 112.1 | S1096 F1097 S1102 Q1103 | S1096-D1100 WeakPolarHBondContact O-CB 3.19Å; S1096-D1100 PolarHBondContact O-N 2.95Å; F1097-D1100 PolarHBondContact O-N 3.48Å; D1100-S1102 VanDerWaalsContact C-N 3.34Å; D1100-S1102 PolarHBondContact O-N 3.29Å; D1100-Q1103 PolarHBondContact O-N 3.47Å |
| 1101 | L | 88.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 177 | -168.6 | 68.9 | 0 | 0 | 0 | 111.5 | I919 I923 Y968 F1097 L1098 S1099 Q1103 Q1104 F1110 | I919-L1101 HydrophobicContact CG2-CD1 4.35Å; I923-L1101 HydrophobicContact CD1-CD1 3.61Å; Y968-L1101 HydrophobicContact CD2-CD2 3.77Å; Y968-L1101 HydrophobicContact CE2-CD2 4.14Å; F1097-L1101 HydrophobicContact CE1-CD2 4.25Å; F1097-L1101 VanDerWaalsContact O-CB 3.31Å; F1097-L1101 WeakPolarHBondContact O-CB 3.49Å; F1097-L1101 PolarHBondContact O-N 3Å; L1098-L1101 PolarHBondContact O-N 2.88Å; S1099-L1101 PolarHBondContact O-N 3.41Å; L1101-Q1103 PolarHBondContact O-N 3.49Å; L1101-Q1104 WeakPolarHBondContact O-CB 3.49Å; L1101-Q1104 PolarHBondContact O-N 3.46Å; L1101-F1110 HydrophobicContact CD1-CE2 4.23Å; L1101-F1110 HydrophobicContact CD2-CD2 4.18Å; L1101-F1110 HydrophobicContact CD2-CE2 3.89Å; L1101-F1110 HydrophobicContact CG-CE2 4.21Å |
| 1102 | S | 86.1 | Confident | 86.6 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -25.3 | 178.8 | 79.5 | 0 | 0 | 0 | 0 | 113.6 | L1098 S1099 D1100 Q1104 | L1098-S1102 WeakPolarHBondContact O-CB 3.15Å; L1098-S1102 PolarHBondContact O-N 3.12Å; S1099-S1102 PolarHBondContact O-N 3.04Å; S1099-S1102 PolarHBondContact O-OG 2.83Å; D1100-S1102 VanDerWaalsContact C-N 3.34Å; D1100-S1102 PolarHBondContact O-N 3.29Å; S1102-Q1104 VanDerWaalsContact C-N 3.35Å |
| 1103 | Q | 85.3 | Confident | 86.2 | Confident | 148 Ų | 148 | 60.7 Ų | 60.7 | 69% | 0.692 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -11.7 | 177.5 | -62.9 | 176.8 | 27.6 | 0 | 0 | 113.1 | S1099 D1100 L1101 | S1099-Q1103 PolarHBondContact O-N 3.36Å; D1100-Q1103 PolarHBondContact O-N 3.47Å; L1101-Q1103 PolarHBondContact O-N 3.49Å |
| 1104 | Q | 84.1 | Confident | 85.8 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -82.1 | 145.4 | 179.2 | -59.2 | -169.3 | 6.7 | 0 | 0 | 111.6 | L1101 S1102 Y1106 Y1107 | L1101-Q1104 WeakPolarHBondContact O-CB 3.49Å; L1101-Q1104 PolarHBondContact O-N 3.46Å; S1102-Q1104 VanDerWaalsContact C-N 3.35Å; Q1104-Y1106 PolarHBondContact O-N 2.96Å; Q1104-Y1107 VanDerWaalsContact O-CB 3.25Å; Q1104-Y1107 WeakPolarHBondContact O-CB 2.96Å; Q1104-Y1107 PolarHBondContact O-N 2.89Å |
| 1105 | I | 77.6 | Confident | 85.4 | Confident | 159 Ų | 159 | 62.8 Ų | 62.8 | 82% | 0.815 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.2 | -179.9 | -61.4 | 171.1 | 0 | 0 | 0 | 111.9 | Y1107 N1108 | I1105-Y1107 PolarHBondContact O-N 3.07Å; I1105-N1108 PolarHBondContact O-ND2 3.25Å; I1105-N1108 VanDerWaalsContact O-ND2 3.13Å |
| 1106 | Y | 81.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.1 | -178.8 | -154.8 | -92.7 | 0 | 0 | 0 | 113.3 | I923 M931 I964 Q1104 N1108 E1109 F1110 | I923-Y1106 HydrophobicContact CD1-CD1 4.3Å; I923-Y1106 HydrophobicContact CG1-CD1 4.25Å; M931-Y1106 HydrophobicContact CE-CE2 4.32Å; I964-Y1106 HydrophobicContact CD1-CE1 3.47Å; I964-Y1106 VanDerWaalsContact CD1-CE1 3.47Å; I964-Y1106 VanDerWaalsContact CD1-OH 3.29Å; I964-Y1106 WeakPolarHBondContact CD1-OH 3.31Å; Q1104-Y1106 PolarHBondContact O-N 2.96Å; Y1106-N1108 PolarHBondContact O-N 3.04Å; Y1106-N1108 VanDerWaalsContact O-N 3.12Å; Y1106-E1109 HydrophobicContact CE1-CB 4.23Å; Y1106-E1109 PolarHBondContact O-N 2.85Å; Y1106-F1110 AromaticContact CD1-CE2 3.93Å; Y1106-F1110 HydrophobicContact CD1-CE2 3.93Å; Y1106-F1110 HydrophobicContact CD1-CZ 4.17Å; Y1106-F1110 HydrophobicContact CE1-CE2 4.49Å; Y1106-F1110 HydrophobicContact CE1-CZ 4.31Å |
| 1107 | Y | 83.5 | Confident | 84.4 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58 | -28.3 | 178.9 | -173.2 | -109.3 | 0 | 0 | 0 | 113.9 | Y968 Q1104 I1105 E1109 F1110 S1111 H1114 | Y968-Y1107 HydrophobicContact CE2-CE2 4.14Å; Y968-Y1107 WeakPolarHBondContact OH-CE2 3.28Å; Y968-Y1107 PolarHBondContact OH-OH 3.11Å; Q1104-Y1107 VanDerWaalsContact O-CB 3.25Å; Q1104-Y1107 WeakPolarHBondContact O-CB 2.96Å; Q1104-Y1107 PolarHBondContact O-N 2.89Å; I1105-Y1107 PolarHBondContact O-N 3.07Å; Y1107-E1109 PolarHBondContact O-N 3.44Å; Y1107-E1109 VanDerWaalsContact O-N 3.15Å; Y1107-F1110 HydrophobicContact CD2-CB 4.32Å; Y1107-F1110 HydrophobicContact CD2-CD2 4.15Å; Y1107-F1110 PolarHBondContact O-N 3.43Å; Y1107-S1111 PolarHBondContact O-N 3.43Å; Y1107-H1114 AromaticContact CZ-CE1 3.97Å; Y1107-H1114 PolarHBondContact OH-CE1 3.36Å |
| 1108 | N | 81.3 | Confident | 84.2 | Confident | 95 Ų | 95 | 67.9 Ų | 67.9 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.4 | -28.2 | 175.8 | -67 | -53.9 | 0 | 0 | 0 | 113.1 | I1105 Y1106 S1111 | I1105-N1108 PolarHBondContact O-ND2 3.25Å; I1105-N1108 VanDerWaalsContact O-ND2 3.13Å; Y1106-N1108 PolarHBondContact O-N 3.04Å; Y1106-N1108 VanDerWaalsContact O-N 3.12Å; N1108-S1111 WeakPolarHBondContact CA-OG 3.23Å; N1108-S1111 PolarHBondContact O-OG 3.4Å |
| 1109 | E | 81.4 | Confident | 83.9 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 33% | 0.327 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.2 | -38.8 | 175.1 | -67.7 | -62.5 | 144.7 | 0 | 0 | 111.6 | Y1106 Y1107 R1112 Y1113 | Y1106-E1109 HydrophobicContact CE1-CB 4.23Å; Y1106-E1109 PolarHBondContact O-N 2.85Å; Y1107-E1109 PolarHBondContact O-N 3.44Å; Y1107-E1109 VanDerWaalsContact O-N 3.15Å; E1109-R1112 IonicContact OE1-CZ 2.97Å; E1109-R1112 IonicContact OE1-NH1 3.88Å; E1109-R1112 PolarHBondContact OE1-NH1 3.44Å; E1109-R1112 IonicContact OE1-NH2 2.95Å; E1109-R1112 PolarHBondContact OE1-NH2 3.31Å; E1109-R1112 IonicContact OE2-CZ 3.78Å; E1109-R1112 IonicContact OE2-NH1 3.11Å; E1109-R1112 PolarHBondContact OE2-NH1 3.4Å; E1109-Y1113 WeakPolarHBondContact O-CD2 3.35Å |
| 1110 | F | 84.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 173.9 | -62.4 | -59.6 | 0 | 0 | 0 | 111.7 | I919 I923 I964 V965 Y968 L1101 Y1106 Y1107 R1112 Y1113 | I919-F1110 HydrophobicContact CG2-CZ 4.4Å; I923-F1110 HydrophobicContact CD1-CE2 4.19Å; I923-F1110 HydrophobicContact CD1-CZ 4.31Å; I964-F1110 HydrophobicContact CB-CE1 4.25Å; I964-F1110 HydrophobicContact CG1-CE1 4.09Å; I964-F1110 HydrophobicContact CG1-CZ 4.48Å; I964-F1110 WeakPolarHBondContact O-CE1 3.47Å; V965-F1110 HydrophobicContact CB-CD1 4.24Å; V965-F1110 HydrophobicContact CG2-CD1 3.8Å; V965-F1110 HydrophobicContact CG2-CE1 4.11Å; Y968-F1110 HydrophobicContact CD1-CB 4.18Å; Y968-F1110 HydrophobicContact CD1-CD1 4.12Å; Y968-F1110 HydrophobicContact CD1-CG 4.32Å; Y968-F1110 HydrophobicContact CD2-CG 4.45Å; Y968-F1110 HydrophobicContact CE1-CB 4.13Å; Y968-F1110 HydrophobicContact CG-CB 4.49Å; Y968-F1110 AromaticContact CG-CD1 3.93Å; Y968-F1110 HydrophobicContact CG-CD1 3.93Å; Y968-F1110 HydrophobicContact CG-CE1 4.4Å; Y968-F1110 HydrophobicContact CG-CG 4.18Å; L1101-F1110 HydrophobicContact CD1-CE2 4.23Å; L1101-F1110 HydrophobicContact CD2-CD2 4.18Å; L1101-F1110 HydrophobicContact CD2-CE2 3.89Å; L1101-F1110 HydrophobicContact CG-CE2 4.21Å; Y1106-F1110 AromaticContact CD1-CE2 3.93Å; Y1106-F1110 HydrophobicContact CD1-CE2 3.93Å; Y1106-F1110 HydrophobicContact CD1-CZ 4.17Å; Y1106-F1110 HydrophobicContact CE1-CE2 4.49Å; Y1106-F1110 HydrophobicContact CE1-CZ 4.31Å; Y1107-F1110 HydrophobicContact CD2-CB 4.32Å; Y1107-F1110 HydrophobicContact CD2-CD2 4.15Å; Y1107-F1110 PolarHBondContact O-N 3.43Å; F1110-R1112 PolarHBondContact O-N 3.43Å; F1110-Y1113 PolarHBondContact O-N 2.85Å |
| 1111 | S | 81.6 | Confident | 83.5 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -58.9 | -19.8 | -175.4 | 71.4 | 0 | 0 | 0 | 0 | 115.3 | Y1107 N1108 Y1113 | Y1107-S1111 PolarHBondContact O-N 3.43Å; N1108-S1111 WeakPolarHBondContact CA-OG 3.23Å; N1108-S1111 PolarHBondContact O-OG 3.4Å; S1111-Y1113 VanDerWaalsContact C-N 3.31Å |
| 1112 | R | 83.6 | Confident | 83.4 | Confident | 170 Ų | 170 | 67.4 Ų | 67.4 | 64% | 0.642 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -75.3 | -18.8 | 178.8 | -69.2 | 177.8 | -176.3 | 154.8 | 9.5 | 113.8 | E1109 F1110 | E1109-R1112 IonicContact OE1-CZ 2.97Å; E1109-R1112 IonicContact OE1-NH1 3.88Å; E1109-R1112 PolarHBondContact OE1-NH1 3.44Å; E1109-R1112 IonicContact OE1-NH2 2.95Å; E1109-R1112 PolarHBondContact OE1-NH2 3.31Å; E1109-R1112 IonicContact OE2-CZ 3.78Å; E1109-R1112 IonicContact OE2-NH1 3.11Å; E1109-R1112 PolarHBondContact OE2-NH1 3.4Å; F1110-R1112 PolarHBondContact O-N 3.43Å |
| 1113 | Y | 83.3 | Confident | 83.4 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 29% | 0.286 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -108.5 | 4.4 | -173.5 | -66.7 | -88.5 | 0 | 0 | 0 | 113.3 | V961 P962 V965 K969 E1109 F1110 S1111 T1115 | V961-Y1113 HydrophobicContact CG1-CD1 4.13Å; V961-Y1113 HydrophobicContact CG1-CE1 4.32Å; V961-Y1113 HydrophobicContact CG2-CD1 4.15Å; V961-Y1113 HydrophobicContact CG2-CE1 4.21Å; P962-Y1113 WeakPolarHBondContact CD-OH 3.29Å; P962-Y1113 HydrophobicContact CG-CE2 4.45Å; V965-Y1113 HydrophobicContact CB-CD2 4.48Å; V965-Y1113 HydrophobicContact CG1-CD2 3.83Å; V965-Y1113 HydrophobicContact CG1-CG 3.73Å; V965-Y1113 HydrophobicContact CG2-CD2 3.98Å; V965-Y1113 HydrophobicContact CG2-CE2 4.21Å; K969-Y1113 VanDerWaalsContact CE-O 3.25Å; K969-Y1113 WeakPolarHBondContact CE-O 3.28Å; E1109-Y1113 WeakPolarHBondContact O-CD2 3.35Å; F1110-Y1113 PolarHBondContact O-N 2.85Å; S1111-Y1113 VanDerWaalsContact C-N 3.31Å; Y1113-T1115 PolarHBondContact O-N 3.15Å |
| 1114 | H | 83.8 | Confident | 83.3 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 15% | 0.153 | 34% | 0.335 | C | S | . | . | trans | -65.3 | 133.5 | -177.7 | -65.7 | 164.4 | 0 | 0 | 0 | 112.3 | Y968 Y1107 E1118 L1119 L1122 | Y968-H1114 AromaticContact CE1-CD2 3.73Å; Y968-H1114 AromaticContact CE1-NE2 3.27Å; Y968-H1114 VanDerWaalsContact CE1-NE2 3.27Å; Y968-H1114 WeakPolarHBondContact CE1-NE2 3.44Å; Y968-H1114 AromaticContact CZ-NE2 3.49Å; Y968-H1114 PolarHBondContact OH-NE2 3.04Å; Y1107-H1114 AromaticContact CZ-CE1 3.97Å; Y1107-H1114 PolarHBondContact OH-CE1 3.36Å; H1114-E1118 WeakPolarHBondContact CA-OE2 3.24Å; H1114-L1119 HydrophobicContact CB-CD2 3.78Å; H1114-L1119 HydrophobicContact CB-CG 3.85Å; H1114-L1119 WeakPolarHBondContact ND1-CD2 3.24Å; H1114-L1122 WeakPolarHBondContact CE1-CD1 3.44Å | ||
| 1115 | T | 83.3 | Confident | 83.2 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | trans | -83 | 168.1 | 167.2 | 67.9 | 0 | 0 | 0 | 0 | 111 | Y1113 L1117 E1118 L1119 | Y1113-T1115 PolarHBondContact O-N 3.15Å; T1115-L1117 PolarHBondContact O-N 3.21Å; T1115-E1118 PolarHBondContact N-OE2 3.34Å; T1115-E1118 PolarHBondContact O-N 3.44Å; T1115-E1118 VanDerWaalsContact OG1-CD 3.24Å; T1115-E1118 VanDerWaalsContact OG1-CG 3.29Å; T1115-E1118 WeakPolarHBondContact OG1-CG 3.42Å; T1115-E1118 PolarHBondContact OG1-N 2.76Å; T1115-L1119 WeakPolarHBondContact O-CG 3.46Å; T1115-L1119 PolarHBondContact O-N 3Å; T1115-L1119 VanDerWaalsContact O-N 3.09Å | ||
| 1116 | S | 80.9 | Confident | 83.3 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 69% | 0.685 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.3 | -31.4 | 176.8 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | T1120 | S1116-T1120 PolarHBondContact O-N 2.82Å; S1116-T1120 PolarHBondContact O-OG1 3.3Å |
| 1117 | L | 82.4 | Confident | 83.1 | Confident | 106 Ų | 106 | 60.8 Ų | 60.8 | 56% | 0.555 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69 | -51.2 | 177.4 | -173.8 | 66.2 | 0 | 0 | 0 | 110.1 | T1115 L1119 T1120 T1121 | T1115-L1117 PolarHBondContact O-N 3.21Å; L1117-L1119 VanDerWaalsContact C-N 3.28Å; L1117-L1119 PolarHBondContact O-N 3.27Å; L1117-T1120 WeakPolarHBondContact O-CA 3.29Å; L1117-T1120 VanDerWaalsContact O-CB 3.24Å; L1117-T1120 WeakPolarHBondContact O-CB 3.49Å; L1117-T1120 PolarHBondContact O-N 2.95Å; L1117-T1121 PolarHBondContact O-N 3.28Å; L1117-T1121 VanDerWaalsContact O-N 3.09Å; L1117-T1121 PolarHBondContact O-OG1 3.2Å |
| 1118 | E | 86.2 | Confident | 82.7 | Confident | 29 Ų | 29 | 62 Ų | 62 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.1 | -37.9 | 178.5 | -69.5 | 162 | -168.7 | 0 | 0 | 112.8 | K969 L972 H1114 T1115 T1120 T1121 L1122 | K969-E1118 WeakPolarHBondContact CD-OE1 3.33Å; K969-E1118 WeakPolarHBondContact CG-OE1 3.41Å; L972-E1118 HydrophobicContact CD1-CB 4.14Å; L972-E1118 HydrophobicContact CD1-CG 4.24Å; H1114-E1118 WeakPolarHBondContact CA-OE2 3.24Å; T1115-E1118 PolarHBondContact N-OE2 3.34Å; T1115-E1118 PolarHBondContact O-N 3.44Å; T1115-E1118 VanDerWaalsContact OG1-CD 3.24Å; T1115-E1118 VanDerWaalsContact OG1-CG 3.29Å; T1115-E1118 WeakPolarHBondContact OG1-CG 3.42Å; T1115-E1118 PolarHBondContact OG1-N 2.76Å; E1118-T1120 VanDerWaalsContact C-N 3.28Å; E1118-T1120 PolarHBondContact O-N 2.97Å; E1118-T1121 PolarHBondContact O-N 3.33Å; E1118-L1122 VanDerWaalsContact O-CG 3.32Å; E1118-L1122 WeakPolarHBondContact O-CG 3.3Å; E1118-L1122 PolarHBondContact O-N 3.29Å |
| 1119 | L | 85.5 | Confident | 81.6 | Confident | 64 Ų | 64 | 62 Ų | 62 | 34% | 0.335 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 173.7 | -71.7 | 173.7 | 0 | 0 | 0 | 112.4 | H1114 T1115 L1117 Q1123 L1128 | H1114-L1119 HydrophobicContact CB-CD2 3.78Å; H1114-L1119 HydrophobicContact CB-CG 3.85Å; H1114-L1119 WeakPolarHBondContact ND1-CD2 3.24Å; T1115-L1119 WeakPolarHBondContact O-CG 3.46Å; T1115-L1119 PolarHBondContact O-N 3Å; T1115-L1119 VanDerWaalsContact O-N 3.09Å; L1117-L1119 VanDerWaalsContact C-N 3.28Å; L1117-L1119 PolarHBondContact O-N 3.27Å; L1119-Q1123 VanDerWaalsContact O-CG 3.28Å; L1119-Q1123 WeakPolarHBondContact O-CG 3.46Å; L1119-Q1123 PolarHBondContact O-N 2.76Å; L1119-L1128 HydrophobicContact CD2-CD1 3.57Å |
| 1120 | T | 85.5 | Confident | 80.2 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 178 | -53.4 | 0 | 0 | 0 | 0 | 110.5 | S1116 L1117 E1118 L1122 Q1123 R1124 | S1116-T1120 PolarHBondContact O-N 2.82Å; S1116-T1120 PolarHBondContact O-OG1 3.3Å; L1117-T1120 WeakPolarHBondContact O-CA 3.29Å; L1117-T1120 VanDerWaalsContact O-CB 3.24Å; L1117-T1120 WeakPolarHBondContact O-CB 3.49Å; L1117-T1120 PolarHBondContact O-N 2.95Å; E1118-T1120 VanDerWaalsContact C-N 3.28Å; E1118-T1120 PolarHBondContact O-N 2.97Å; T1120-L1122 PolarHBondContact O-N 2.81Å; T1120-Q1123 WeakPolarHBondContact O-CB 3.38Å; T1120-Q1123 PolarHBondContact O-N 2.7Å; T1120-R1124 PolarHBondContact O-N 2.84Å |
| 1121 | T | 84.9 | Confident | 78.5 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.4 | -46.5 | 0 | 0 | 0 | 0 | 111.4 | D976 L979 L1117 E1118 Q1123 R1124 I1125 | D976-T1121 HydrophobicContact CB-CG2 3.91Å; D976-T1121 VanDerWaalsContact CG-OG1 3.22Å; D976-T1121 VanDerWaalsContact OD1-CG2 3.3Å; D976-T1121 WeakPolarHBondContact OD1-CG2 3.47Å; D976-T1121 PolarHBondContact OD1-OG1 3.06Å; L979-T1121 HydrophobicContact CD1-CG2 4.32Å; L1117-T1121 PolarHBondContact O-N 3.28Å; L1117-T1121 VanDerWaalsContact O-N 3.09Å; L1117-T1121 PolarHBondContact O-OG1 3.2Å; E1118-T1121 PolarHBondContact O-N 3.33Å; T1121-Q1123 VanDerWaalsContact C-N 3.28Å; T1121-Q1123 PolarHBondContact O-N 2.99Å; T1121-R1124 WeakPolarHBondContact O-CB 3.22Å; T1121-R1124 PolarHBondContact O-N 2.89Å; T1121-R1124 VanDerWaalsContact O-N 3.15Å; T1121-I1125 PolarHBondContact O-N 2.7Å |
| 1122 | L | 85.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.9 | -30.7 | 175.6 | -72.9 | 170.7 | 0 | 0 | 0 | 113.5 | L972 H1114 E1118 T1120 I1125 G1126 I1127 L1128 | L972-L1122 HydrophobicContact CD1-CD1 4.47Å; L972-L1122 HydrophobicContact CD1-CG 4.46Å; L972-L1122 HydrophobicContact CD2-CD2 3.63Å; L972-L1122 HydrophobicContact CD2-CG 3.98Å; H1114-L1122 WeakPolarHBondContact CE1-CD1 3.44Å; E1118-L1122 VanDerWaalsContact O-CG 3.32Å; E1118-L1122 WeakPolarHBondContact O-CG 3.3Å; E1118-L1122 PolarHBondContact O-N 3.29Å; T1120-L1122 PolarHBondContact O-N 2.81Å; L1122-I1125 HydrophobicContact CD2-CD1 4.22Å; L1122-I1125 WeakPolarHBondContact O-CG1 3.47Å; L1122-G1126 PolarHBondContact O-N 2.88Å; L1122-I1127 HydrophobicContact CD2-CB 4.39Å; L1122-I1127 HydrophobicContact CD2-CD1 3.97Å; L1122-I1127 HydrophobicContact CD2-CG2 4.44Å; L1122-I1127 PolarHBondContact O-N 2.76Å; L1122-I1127 VanDerWaalsContact O-N 3.11Å; L1122-L1128 HydrophobicContact CB-CD1 3.88Å; L1122-L1128 HydrophobicContact CB-CG 4.28Å; L1122-L1128 HydrophobicContact CD1-CD1 4.21Å; L1122-L1128 PolarHBondContact O-N 2.75Å |
| 1123 | Q | 85.8 | Confident | 73.6 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 24% | 0.243 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -72.9 | -38.3 | 173.1 | -76.5 | 173.3 | -11.8 | 0 | 0 | 112.1 | L1119 T1120 T1121 I1125 G1126 L1128 | L1119-Q1123 VanDerWaalsContact O-CG 3.28Å; L1119-Q1123 WeakPolarHBondContact O-CG 3.46Å; L1119-Q1123 PolarHBondContact O-N 2.76Å; T1120-Q1123 WeakPolarHBondContact O-CB 3.38Å; T1120-Q1123 PolarHBondContact O-N 2.7Å; T1121-Q1123 VanDerWaalsContact C-N 3.28Å; T1121-Q1123 PolarHBondContact O-N 2.99Å; Q1123-I1125 VanDerWaalsContact C-N 3.27Å; Q1123-I1125 PolarHBondContact O-N 2.93Å; Q1123-G1126 PolarHBondContact O-N 3.29Å; Q1123-G1126 VanDerWaalsContact O-N 3.16Å; Q1123-L1128 HydrophobicContact CG-CB 3.76Å |
| 1124 | R | 83.4 | Confident | 73.1 | Confident | 145 Ų | 145 | 81.3 Ų | 81.3 | 55% | 0.547 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 176.5 | -74.9 | 177.3 | 173 | 177.2 | -7 | 111.9 | D976 L979 T1120 T1121 | D976-R1124 IonicContact OD1-NH1 3.97Å; L979-R1124 HydrophobicContact CD1-CB 4.48Å; T1120-R1124 PolarHBondContact O-N 2.84Å; T1121-R1124 WeakPolarHBondContact O-CB 3.22Å; T1121-R1124 PolarHBondContact O-N 2.89Å; T1121-R1124 VanDerWaalsContact O-N 3.15Å |
| 1125 | I | 82.6 | Confident | 72.6 | Confident | 42 Ų | 42 | 83.8 Ų | 83.8 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 0.5 | 178.6 | 64.7 | 174.2 | 0 | 0 | 0 | 114.8 | L975 L979 L1098 T1121 L1122 Q1123 I1127 | L975-I1125 HydrophobicContact CD2-CD1 3.89Å; L975-I1125 HydrophobicContact CD2-CG2 3.99Å; L979-I1125 HydrophobicContact CD1-CG2 4.14Å; L1098-I1125 HydrophobicContact CD1-CD1 4.31Å; T1121-I1125 PolarHBondContact O-N 2.7Å; L1122-I1125 HydrophobicContact CD2-CD1 4.22Å; L1122-I1125 WeakPolarHBondContact O-CG1 3.47Å; Q1123-I1125 VanDerWaalsContact C-N 3.27Å; Q1123-I1125 PolarHBondContact O-N 2.93Å; I1125-I1127 HydrophobicContact CD1-CD1 3.47Å; I1125-I1127 VanDerWaalsContact CD1-CD1 3.47Å; I1125-I1127 HydrophobicContact CD1-CG1 3.93Å; I1125-I1127 HydrophobicContact CG1-CB 4.47Å; I1125-I1127 HydrophobicContact CG1-CD1 4.11Å; I1125-I1127 HydrophobicContact CG1-CG1 3.99Å |
| 1126 | G | 80 | Confident | 72 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 64% | 0.639 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 12.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1122 Q1123 | L1122-G1126 PolarHBondContact O-N 2.88Å; Q1123-G1126 PolarHBondContact O-N 3.29Å; Q1123-G1126 VanDerWaalsContact O-N 3.16Å |
| 1127 | I | 77.2 | Confident | 71.4 | Confident | 36 Ų | 36 | 84.4 Ų | 84.4 | 19% | 0.185 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -72.8 | -35.5 | 173.1 | -66.8 | -179.6 | 0 | 0 | 0 | 110.6 | L1098 L1122 I1125 | L1098-I1127 HydrophobicContact CB-CD1 3.84Å; L1122-I1127 HydrophobicContact CD2-CB 4.39Å; L1122-I1127 HydrophobicContact CD2-CD1 3.97Å; L1122-I1127 HydrophobicContact CD2-CG2 4.44Å; L1122-I1127 PolarHBondContact O-N 2.76Å; L1122-I1127 VanDerWaalsContact O-N 3.11Å; I1125-I1127 HydrophobicContact CD1-CD1 3.47Å; I1125-I1127 VanDerWaalsContact CD1-CD1 3.47Å; I1125-I1127 HydrophobicContact CD1-CG1 3.93Å; I1125-I1127 HydrophobicContact CG1-CB 4.47Å; I1125-I1127 HydrophobicContact CG1-CD1 4.11Å; I1125-I1127 HydrophobicContact CG1-CG1 3.99Å |
| 1128 | L | 73.8 | Confident | 70.8 | Confident | 50 Ų | 50 | 83 Ų | 83 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -109.8 | 141.1 | 173.5 | -68.4 | 172.6 | 0 | 0 | 0 | 110.1 | L1119 L1122 Q1123 Q1130 | L1119-L1128 HydrophobicContact CD2-CD1 3.57Å; L1122-L1128 HydrophobicContact CB-CD1 3.88Å; L1122-L1128 HydrophobicContact CB-CG 4.28Å; L1122-L1128 HydrophobicContact CD1-CD1 4.21Å; L1122-L1128 PolarHBondContact O-N 2.75Å; Q1123-L1128 HydrophobicContact CG-CB 3.76Å; L1128-Q1130 PolarHBondContact O-N 3.21Å |
| 1129 | P | 58.4 | Low | 69.7 | Low | 96 Ų | 96 | 86.6 Ų | 86.6 | 62% | 0.623 | 46% | 0.457 | S | S | * | . | trans | -60.7 | 135.8 | 173.7 | 25.3 | -31.9 | 0 | 0 | 0 | 109.9 | N1131 | P1129-N1131 PolarHBondContact O-N 2.88Š| ||
| 1130 | Q | 52.7 | Low | 68.6 | Low | 139 Ų | 139 | 88.2 Ų | 88.2 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | trans | -62.2 | 109 | 166.7 | -71.8 | -178.1 | -8.9 | 0 | 0 | 107.4 | L1128 N1132 | L1128-Q1130 PolarHBondContact O-N 3.21Å; Q1130-N1132 PolarHBondContact O-N 2.81Å | ||
| 1131 | N | 47.8 | Very low | 67.3 | Low | 130 Ų | 130 | 90.2 Ų | 90.2 | 70% | 0.695 | 47% | 0.472 | S | S | * | . | trans | -66.2 | 106.5 | 172.7 | -83.4 | -16.2 | 0 | 0 | 0 | 107.5 | P1129 E1133 | P1129-N1131 PolarHBondContact O-N 2.88Å; N1131-E1133 PolarHBondContact O-N 3.19Å | ||
| 1132 | N | 32 | Very low | 65.8 | Low | 159 Ų | 159 | 97.4 Ų | 97.4 | 85% | 0.85 | 51% | 0.51 | S | S | * | . | trans | -68.3 | 84.9 | 163.8 | -77.5 | -25.2 | 0 | 0 | 0 | 108.5 | Q1130 | Q1130-N1132 PolarHBondContact O-N 2.81Š| ||
| 1133 | E | 31.1 | Very low | 64.1 | Low | 258 Ų | 258 | 106.3 Ų | 106.3 | 100% | 1.206 | 56% | 0.556 | S | S | * | * | trans | -129.6 | 0 | 160.1 | -79 | -164.5 | 164 | 0 | 0 | 111.9 | N1131 | N1131-E1133 PolarHBondContact O-N 3.19Š|
Retrieved 1,133 of 1,133 residues in 806 ms
(Link to these results)