| 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 | 68.7 | Low | 88.5 | Confident | 118 Ų | 118 | 58.5 Ų | 58.5 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | 0 | 139.3 | 0 | -81.4 | -177.9 | -91.2 | 0 | 0 | 108.6 | P3 I6 L42 H46 | M1-P3 WeakPolarHBondContact O-CD 3.24Å; M1-I6 HydrophobicContact CB-CD1 4.17Å; M1-I6 HydrophobicContact SD-CD1 4.5Å; M1-L42 HydrophobicContact SD-CB 3.99Å; M1-H46 HydrophobicContact SD-CB 4.37Å | |||
| 2 | D | 81.7 | Confident | 88.9 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 35% | 0.353 | 30% | 0.301 | S | S | . | . | trans | -84.6 | 114.4 | -179.6 | 175.4 | 2.6 | 0 | 0 | 0 | 110.1 | S4 F5 I6 R37 | D2-S4 PolarHBondContact O-N 3.24Å; D2-S4 WeakPolarHBondContact OD1-CB 3.37Å; D2-S4 PolarHBondContact OD1-N 2.61Å; D2-S4 PolarHBondContact OD1-OG 3.44Å; D2-S4 PolarHBondContact OD2-OG 3.47Å; D2-S4 VanDerWaalsContact OD2-OG 3.09Å; D2-F5 HydrophobicContact CB-CB 4.16Å; D2-F5 PolarHBondContact O-N 3.11Å; D2-I6 PolarHBondContact O-N 2.95Å; D2-R37 IonicContact OD2-NH2 2.63Å; D2-R37 PolarHBondContact OD2-NH2 2.84Å; D2-R37 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 3 | P | 85.1 | Confident | 89.4 | Confident | 91 Ų | 91 | 50.4 Ų | 50.4 | 59% | 0.591 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.9 | -29.8 | -178.5 | -23.4 | 34.2 | 0 | 0 | 0 | 113.7 | M1 I6 N7 | M1-P3 WeakPolarHBondContact O-CD 3.24Å; P3-I6 PolarHBondContact O-N 3.37Å; P3-N7 PolarHBondContact O-N 3.47Å; P3-N7 PolarHBondContact O-ND2 3.27Å |
| 4 | S | 87.8 | Confident | 89.6 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 178.6 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | D2 I6 N7 E8 | D2-S4 PolarHBondContact O-N 3.24Å; D2-S4 WeakPolarHBondContact OD1-CB 3.37Å; D2-S4 PolarHBondContact OD1-N 2.61Å; D2-S4 PolarHBondContact OD1-OG 3.44Å; D2-S4 PolarHBondContact OD2-OG 3.47Å; D2-S4 VanDerWaalsContact OD2-OG 3.09Å; S4-I6 PolarHBondContact O-N 3.44Å; S4-N7 PolarHBondContact O-N 3.24Å; S4-E8 WeakPolarHBondContact O-CG 3.22Å; S4-E8 PolarHBondContact O-N 3.1Å |
| 5 | F | 91.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 178.6 | -173.3 | -130.5 | 0 | 0 | 0 | 113 | D2 N7 E8 L9 V34 R37 Y40 | D2-F5 HydrophobicContact CB-CB 4.16Å; D2-F5 PolarHBondContact O-N 3.11Å; F5-N7 VanDerWaalsContact C-N 3.33Å; F5-N7 PolarHBondContact O-N 3.19Å; F5-E8 PolarHBondContact O-N 2.69Å; F5-L9 HydrophobicContact CD1-CD1 3.99Å; F5-L9 HydrophobicContact CD2-CG 4.21Å; F5-L9 HydrophobicContact CE1-CD1 3.58Å; F5-L9 HydrophobicContact CE1-CG 4.21Å; F5-L9 HydrophobicContact CE2-CD1 4.14Å; F5-L9 HydrophobicContact CE2-CD2 4.03Å; F5-L9 HydrophobicContact CE2-CG 3.83Å; F5-L9 HydrophobicContact CG-CD1 4.45Å; F5-L9 HydrophobicContact CZ-CD1 3.66Å; F5-L9 HydrophobicContact CZ-CD2 3.96Å; F5-L9 HydrophobicContact CZ-CG 3.83Å; F5-L9 WeakPolarHBondContact O-CB 3.03Å; F5-L9 WeakPolarHBondContact O-CG 3.44Å; F5-L9 PolarHBondContact O-N 2.69Å; F5-V34 HydrophobicContact CE2-CB 4.29Å; F5-V34 HydrophobicContact CE2-CG2 4.37Å; F5-V34 HydrophobicContact CZ-CB 4.34Å; F5-V34 HydrophobicContact CZ-CG2 4.36Å; F5-R37 HydrophobicContact CE1-CB 4.37Å; F5-R37 HydrophobicContact CE1-CG 4.26Å; F5-R37 HydrophobicContact CZ-CB 4.11Å; F5-R37 HydrophobicContact CZ-CG 4.24Å; F5-Y40 HydrophobicContact CE1-CD2 4.42Å; F5-Y40 HydrophobicContact CZ-CD2 4.08Å |
| 6 | I | 91.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 173.7 | -68.7 | 168.8 | 0 | 0 | 0 | 110.5 | M1 D2 P3 S4 L9 T10 C43 I47 | M1-I6 HydrophobicContact CB-CD1 4.17Å; M1-I6 HydrophobicContact SD-CD1 4.5Å; D2-I6 PolarHBondContact O-N 2.95Å; P3-I6 PolarHBondContact O-N 3.37Å; S4-I6 PolarHBondContact O-N 3.44Å; I6-L9 PolarHBondContact O-N 2.85Å; I6-T10 WeakPolarHBondContact O-CB 3.45Å; I6-T10 PolarHBondContact O-N 3.34Å; I6-T10 PolarHBondContact O-OG1 2.9Å; I6-C43 HydrophobicContact CG1-CB 4.09Å; I6-I47 HydrophobicContact CG2-CD1 4.36Å; I6-I47 HydrophobicContact CG2-CG1 3.94Å |
| 7 | N | 91.9 | Very high | 89.7 | Confident | 100 Ų | 100 | 54.4 Ų | 54.4 | 54% | 0.535 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.4 | -71.8 | -26.1 | 0 | 0 | 0 | 112 | P3 S4 F5 T10 N11 | P3-N7 PolarHBondContact O-N 3.47Å; P3-N7 PolarHBondContact O-ND2 3.27Å; S4-N7 PolarHBondContact O-N 3.24Å; F5-N7 VanDerWaalsContact C-N 3.33Å; F5-N7 PolarHBondContact O-N 3.19Å; N7-T10 PolarHBondContact O-N 3.37Å; N7-N11 PolarHBondContact O-N 2.98Å; N7-N11 PolarHBondContact O-ND2 3.25Å |
| 8 | E | 92.6 | Very high | 89.5 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 174.4 | -73.2 | 173.7 | -178 | 0 | 0 | 111.9 | S4 F5 T10 N11 C12 Y30 R37 | S4-E8 WeakPolarHBondContact O-CG 3.22Å; S4-E8 PolarHBondContact O-N 3.1Å; F5-E8 PolarHBondContact O-N 2.69Å; E8-T10 PolarHBondContact O-N 3.39Å; E8-N11 PolarHBondContact O-N 3.45Å; E8-C12 WeakPolarHBondContact O-CB 3.41Å; E8-C12 PolarHBondContact O-N 3.26Å; E8-Y30 PolarHBondContact OE2-OH 2.89Å; E8-R37 IonicContact OE2-NH1 3.63Å |
| 9 | L | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.9 | -75.2 | 177.1 | 0 | 0 | 0 | 112 | F5 I6 C12 L13 L31 V34 Y40 C43 I47 | F5-L9 HydrophobicContact CD1-CD1 3.99Å; F5-L9 HydrophobicContact CD2-CG 4.21Å; F5-L9 HydrophobicContact CE1-CD1 3.58Å; F5-L9 HydrophobicContact CE1-CG 4.21Å; F5-L9 HydrophobicContact CE2-CD1 4.14Å; F5-L9 HydrophobicContact CE2-CD2 4.03Å; F5-L9 HydrophobicContact CE2-CG 3.83Å; F5-L9 HydrophobicContact CG-CD1 4.45Å; F5-L9 HydrophobicContact CZ-CD1 3.66Å; F5-L9 HydrophobicContact CZ-CD2 3.96Å; F5-L9 HydrophobicContact CZ-CG 3.83Å; F5-L9 WeakPolarHBondContact O-CB 3.03Å; F5-L9 WeakPolarHBondContact O-CG 3.44Å; F5-L9 PolarHBondContact O-N 2.69Å; I6-L9 PolarHBondContact O-N 2.85Å; L9-C12 PolarHBondContact O-N 2.97Å; L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CD1 3.09Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 3.34Å; L9-L31 HydrophobicContact CD2-CD2 3.98Å; L9-V34 HydrophobicContact CD2-CG2 3.98Å; L9-Y40 HydrophobicContact CD1-CD2 4.17Å; L9-Y40 HydrophobicContact CD1-CE2 4.43Å; L9-Y40 HydrophobicContact CD2-CD2 4.13Å; L9-Y40 HydrophobicContact CD2-CE2 3.75Å; L9-C43 HydrophobicContact CD1-CB 3.7Å; L9-I47 HydrophobicContact CB-CD1 3.68Å; L9-I47 HydrophobicContact CD1-CD1 4.48Å |
| 10 | T | 94.7 | Very high | 88.7 | Confident | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.08 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | I6 N7 E8 L13 Q14 I47 I53 T57 | I6-T10 WeakPolarHBondContact O-CB 3.45Å; I6-T10 PolarHBondContact O-N 3.34Å; I6-T10 PolarHBondContact O-OG1 2.9Å; N7-T10 PolarHBondContact O-N 3.37Å; E8-T10 PolarHBondContact O-N 3.39Å; T10-L13 PolarHBondContact O-N 3.19Å; T10-Q14 WeakPolarHBondContact O-CG 3.41Å; T10-Q14 PolarHBondContact O-N 3.31Å; T10-I47 WeakPolarHBondContact OG1-CD1 3.21Å; T10-I53 HydrophobicContact CG2-CD1 4.06Å; T10-I53 HydrophobicContact CG2-CG2 4.27Å; T10-T57 HydrophobicContact CG2-CG2 4.29Å |
| 11 | N | 92.9 | Very high | 88.4 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.2 | -70 | -20.1 | 0 | 0 | 0 | 111.4 | N7 E8 L13 Q14 H15 | N7-N11 PolarHBondContact O-N 2.98Å; N7-N11 PolarHBondContact O-ND2 3.25Å; E8-N11 PolarHBondContact O-N 3.45Å; N11-L13 PolarHBondContact O-N 2.97Å; N11-Q14 WeakPolarHBondContact O-CB 3.43Å; N11-Q14 PolarHBondContact O-N 3.4Å; N11-H15 PolarHBondContact O-CD2 3.03Å; N11-H15 PolarHBondContact O-N 3.17Å; N11-H15 VanDerWaalsContact O-N 3.08Å |
| 12 | C | 93.8 | Very high | 89.1 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.7 | -169.4 | 0 | 0 | 0 | 0 | 112.1 | E8 L9 Q14 H15 T16 A27 Y30 L31 | E8-C12 WeakPolarHBondContact O-CB 3.41Å; E8-C12 PolarHBondContact O-N 3.26Å; L9-C12 PolarHBondContact O-N 2.97Å; C12-Q14 VanDerWaalsContact C-N 3.31Å; C12-Q14 PolarHBondContact O-N 3.22Å; C12-H15 WeakPolarHBondContact O-CA 3.46Å; C12-H15 WeakPolarHBondContact O-CB 3.05Å; C12-H15 PolarHBondContact O-N 3.12Å; C12-T16 PolarHBondContact O-N 3.32Å; C12-T16 VanDerWaalsContact O-N 3.08Å; C12-A27 PolarHBondContact SG-O 3.13Å; C12-A27 VanDerWaalsContact SG-O 3.34Å; C12-Y30 HydrophobicContact CB-CD1 4.09Å; C12-Y30 HydrophobicContact CB-CE1 4.37Å; C12-Y30 WeakPolarHBondContact SG-CD1 3.41Å; C12-L31 HydrophobicContact CB-CD2 4.46Å |
| 13 | L | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 175.8 | -73.3 | 165 | 0 | 0 | 0 | 111.9 | L9 T10 N11 H15 T16 L31 L44 I47 T57 A60 A61 | L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CD1 3.09Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 3.34Å; T10-L13 PolarHBondContact O-N 3.19Å; N11-L13 PolarHBondContact O-N 2.97Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.47Å; L13-T16 PolarHBondContact O-N 2.96Å; L13-T16 PolarHBondContact O-OG1 3.06Å; L13-L31 HydrophobicContact CD2-CD1 4.05Å; L13-L31 HydrophobicContact CD2-CD2 4.44Å; L13-L44 HydrophobicContact CD1-CD2 3.91Å; L13-I47 HydrophobicContact CD1-CD1 4.16Å; L13-I47 HydrophobicContact CD1-CG2 4.1Å; L13-T57 HydrophobicContact CB-CG2 3.79Å; L13-A60 HydrophobicContact CD2-CB 4.14Å; L13-A61 HydrophobicContact CD1-CB 3.78Å |
| 14 | Q | 93.2 | Very high | 89.4 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 170.7 | -74.7 | 173.8 | -2.3 | 0 | 0 | 112.2 | T10 N11 C12 T16 V17 T57 | T10-Q14 WeakPolarHBondContact O-CG 3.41Å; T10-Q14 PolarHBondContact O-N 3.31Å; N11-Q14 WeakPolarHBondContact O-CB 3.43Å; N11-Q14 PolarHBondContact O-N 3.4Å; C12-Q14 VanDerWaalsContact C-N 3.31Å; C12-Q14 PolarHBondContact O-N 3.22Å; Q14-T16 VanDerWaalsContact C-N 3.34Å; Q14-T16 PolarHBondContact O-N 2.6Å; Q14-V17 WeakPolarHBondContact O-CG2 3.39Å; Q14-V17 PolarHBondContact O-N 3.42Å; Q14-T57 HydrophobicContact CG-CG2 3.84Å; Q14-T57 WeakPolarHBondContact CG-OG1 3.22Å |
| 15 | H | 92 | Very high | 89.3 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.1 | -27.2 | 176.1 | -68.7 | -50.6 | 0 | 0 | 0 | 113.6 | N11 C12 L13 V17 S18 T23 A27 | N11-H15 PolarHBondContact O-CD2 3.03Å; N11-H15 PolarHBondContact O-N 3.17Å; N11-H15 VanDerWaalsContact O-N 3.08Å; C12-H15 WeakPolarHBondContact O-CA 3.46Å; C12-H15 WeakPolarHBondContact O-CB 3.05Å; C12-H15 PolarHBondContact O-N 3.12Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.47Å; H15-V17 PolarHBondContact O-N 3.25Å; H15-S18 WeakPolarHBondContact O-CB 3.28Å; H15-S18 PolarHBondContact O-N 3.24Å; H15-S18 VanDerWaalsContact O-N 3.13Å; H15-T23 HydrophobicContact CB-CG2 3.78Å; H15-A27 HydrophobicContact CB-CB 3.67Å |
| 16 | T | 90.8 | Very high | 89.2 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 15% | 0.153 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -23 | 174.7 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | C12 L13 Q14 R24 A27 L31 | C12-T16 PolarHBondContact O-N 3.32Å; C12-T16 VanDerWaalsContact O-N 3.08Å; L13-T16 PolarHBondContact O-N 2.96Å; L13-T16 PolarHBondContact O-OG1 3.06Å; Q14-T16 VanDerWaalsContact C-N 3.34Å; Q14-T16 PolarHBondContact O-N 2.6Å; T16-R24 VanDerWaalsContact O-CD 3.25Å; T16-R24 WeakPolarHBondContact O-CD 3.34Å; T16-R24 WeakPolarHBondContact O-CG 3.03Å; T16-A27 HydrophobicContact CG2-CB 3.75Å; T16-L31 HydrophobicContact CG2-CD1 3.6Å |
| 17 | V | 87 | Confident | 89.2 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 10.3 | 176.3 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | Q14 H15 P56 A60 | Q14-V17 WeakPolarHBondContact O-CG2 3.39Å; Q14-V17 PolarHBondContact O-N 3.42Å; H15-V17 PolarHBondContact O-N 3.25Å; V17-P56 HydrophobicContact CG2-CB 4.42Å; V17-A60 HydrophobicContact CG1-CB 4.17Å |
| 18 | S | 86.3 | Confident | 89.1 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 16% | 0.161 | 36% | 0.358 | C | S | . | . | trans | -66.4 | 144.5 | 176.9 | -180 | 0 | 0 | 0 | 0 | 111.8 | H15 E20 R24 | H15-S18 WeakPolarHBondContact O-CB 3.28Å; H15-S18 PolarHBondContact O-N 3.24Å; H15-S18 VanDerWaalsContact O-N 3.13Å; S18-E20 PolarHBondContact O-N 2.71Å; S18-E20 PolarHBondContact OG-N 2.96Å; S18-E20 VanDerWaalsContact OG-N 3.15Å; S18-R24 WeakPolarHBondContact O-CD 3.44Å; S18-R24 VanDerWaalsContact O-CG 3.24Å; S18-R24 WeakPolarHBondContact O-CG 2.95Å | ||
| 19 | P | 80.2 | Confident | 89 | Confident | 129 Ų | 129 | 71.1 Ų | 71.1 | 84% | 0.838 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -65.5 | -19.3 | 169.4 | 28 | -35.1 | 0 | 0 | 0 | 113 | ||
| 20 | E | 83.5 | Confident | 89 | Confident | 123 Ų | 123 | 75.3 Ų | 75.3 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | trans | -82.8 | 122.9 | -178.4 | -66.5 | -178.2 | 166.9 | 0 | 0 | 112.8 | S18 E22 T23 R24 | S18-E20 PolarHBondContact O-N 2.71Å; S18-E20 PolarHBondContact OG-N 2.96Å; S18-E20 VanDerWaalsContact OG-N 3.15Å; E20-E22 PolarHBondContact O-N 3.16Å; E20-T23 PolarHBondContact O-N 3.28Å; E20-T23 PolarHBondContact OE2-OG1 2.6Å; E20-R24 PolarHBondContact O-N 3.27Å | ||
| 21 | R | 81.4 | Confident | 88.9 | Confident | 161 Ų | 161 | 75.3 Ų | 75.3 | 61% | 0.608 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.6 | -45 | -176.8 | -174 | -178.5 | -175.3 | 179.9 | 2.4 | 113.6 | R24 R25 | R21-R24 PolarHBondContact O-N 3.18Å; R21-R25 PolarHBondContact O-N 2.96Å |
| 22 | E | 84.3 | Confident | 88.7 | Confident | 132 Ų | 132 | 78.1 Ų | 78.1 | 62% | 0.617 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.5 | -40.2 | -177.9 | -68.5 | -53.9 | 140 | 0 | 0 | 111.7 | E20 R24 R25 S26 | E20-E22 PolarHBondContact O-N 3.16Å; E22-R24 VanDerWaalsContact C-N 3.35Å; E22-R24 PolarHBondContact O-N 3.06Å; E22-R25 PolarHBondContact O-N 3.32Å; E22-S26 WeakPolarHBondContact O-CB 3.43Å; E22-S26 PolarHBondContact O-N 3.38Å |
| 23 | T | 86.2 | Confident | 88.6 | Confident | 37 Ų | 37 | 81.3 Ų | 81.3 | 23% | 0.227 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | H15 E20 A27 | H15-T23 HydrophobicContact CB-CG2 3.78Å; E20-T23 PolarHBondContact O-N 3.28Å; E20-T23 PolarHBondContact OE2-OG1 2.6Å; T23-A27 WeakPolarHBondContact O-CB 3.44Å; T23-A27 PolarHBondContact O-N 3.37Å |
| 24 | R | 87.2 | Confident | 88.5 | Confident | 108 Ų | 108 | 82.3 Ų | 82.3 | 41% | 0.408 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 174 | -69.8 | -165.6 | -63.9 | 178.1 | 3 | 112.8 | T16 S18 E20 R21 E22 S26 A27 E28 | T16-R24 VanDerWaalsContact O-CD 3.25Å; T16-R24 WeakPolarHBondContact O-CD 3.34Å; T16-R24 WeakPolarHBondContact O-CG 3.03Å; S18-R24 WeakPolarHBondContact O-CD 3.44Å; S18-R24 VanDerWaalsContact O-CG 3.24Å; S18-R24 WeakPolarHBondContact O-CG 2.95Å; E20-R24 PolarHBondContact O-N 3.27Å; R21-R24 PolarHBondContact O-N 3.18Å; E22-R24 VanDerWaalsContact C-N 3.35Å; E22-R24 PolarHBondContact O-N 3.06Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 3.11Å; R24-A27 PolarHBondContact O-N 3.2Å; R24-E28 WeakPolarHBondContact O-CG 3.32Å; R24-E28 PolarHBondContact O-N 3.33Å |
| 25 | R | 84.7 | Confident | 88.4 | Confident | 140 Ų | 140 | 80 Ų | 80 | 53% | 0.528 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 179.9 | -86.8 | -173 | 148.2 | -171.3 | -7.8 | 112.5 | R21 E22 A29 | R21-R25 PolarHBondContact O-N 2.96Å; E22-R25 PolarHBondContact O-N 3.32Å; R25-A29 WeakPolarHBondContact O-CB 3.45Å; R25-A29 PolarHBondContact O-N 3.05Å |
| 26 | S | 89.9 | Confident | 88 | Confident | 84 Ų | 84 | 81.4 Ų | 81.4 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | E22 R24 A29 Y30 | E22-S26 WeakPolarHBondContact O-CB 3.43Å; E22-S26 PolarHBondContact O-N 3.38Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 3.11Å; S26-A29 PolarHBondContact O-N 3.46Å; S26-Y30 WeakPolarHBondContact O-CB 3.22Å; S26-Y30 PolarHBondContact O-N 3.49Å |
| 27 | A | 91.2 | Very high | 88 | Confident | 5 Ų | 5 | 84.8 Ų | 84.8 | 4% | 0.041 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C12 H15 T16 T23 R24 A29 Y30 L31 | C12-A27 PolarHBondContact SG-O 3.13Å; C12-A27 VanDerWaalsContact SG-O 3.34Å; H15-A27 HydrophobicContact CB-CB 3.67Å; T16-A27 HydrophobicContact CG2-CB 3.75Å; T23-A27 WeakPolarHBondContact O-CB 3.44Å; T23-A27 PolarHBondContact O-N 3.37Å; R24-A27 PolarHBondContact O-N 3.2Å; A27-A29 VanDerWaalsContact C-N 3.35Å; A27-A29 PolarHBondContact O-N 3.33Å; A27-Y30 PolarHBondContact O-N 2.97Å; A27-L31 WeakPolarHBondContact O-CG 3.23Å; A27-L31 PolarHBondContact O-N 3.46Å |
| 28 | E | 90.1 | Very high | 88 | Confident | 109 Ų | 109 | 84.4 Ų | 84.4 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.7 | -72.9 | 171.7 | -172.8 | 0 | 0 | 111.9 | R24 Y30 L31 K32 | R24-E28 WeakPolarHBondContact O-CG 3.32Å; R24-E28 PolarHBondContact O-N 3.33Å; E28-Y30 VanDerWaalsContact C-N 3.35Å; E28-L31 PolarHBondContact O-N 3.23Å; E28-K32 WeakPolarHBondContact O-CB 3.46Å; E28-K32 PolarHBondContact O-N 3.46Å |
| 29 | A | 90.6 | Very high | 88.3 | Confident | 61 Ų | 61 | 85 Ų | 85 | 50% | 0.504 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | R25 S26 A27 K32 A33 | R25-A29 WeakPolarHBondContact O-CB 3.45Å; R25-A29 PolarHBondContact O-N 3.05Å; S26-A29 PolarHBondContact O-N 3.46Å; A27-A29 VanDerWaalsContact C-N 3.35Å; A27-A29 PolarHBondContact O-N 3.33Å; A29-K32 PolarHBondContact O-N 3.43Å; A29-A33 PolarHBondContact O-N 3.33Å |
| 30 | Y | 93.5 | Very high | 88.9 | Confident | 89 Ų | 89 | 79 Ų | 79 | 35% | 0.349 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 175.4 | 179 | -90.4 | 0 | 0 | 0 | 111.9 | E8 C12 S26 A27 E28 K32 A33 V34 | E8-Y30 PolarHBondContact OE2-OH 2.89Å; C12-Y30 HydrophobicContact CB-CD1 4.09Å; C12-Y30 HydrophobicContact CB-CE1 4.37Å; C12-Y30 WeakPolarHBondContact SG-CD1 3.41Å; S26-Y30 WeakPolarHBondContact O-CB 3.22Å; S26-Y30 PolarHBondContact O-N 3.49Å; A27-Y30 PolarHBondContact O-N 2.97Å; E28-Y30 VanDerWaalsContact C-N 3.35Å; Y30-K32 PolarHBondContact O-N 2.94Å; Y30-A33 WeakPolarHBondContact O-CA 3.29Å; Y30-A33 WeakPolarHBondContact O-CB 3.33Å; Y30-A33 PolarHBondContact O-N 3.44Å; Y30-V34 HydrophobicContact CD1-CG1 4.27Å; Y30-V34 HydrophobicContact CD1-CG2 4.18Å; Y30-V34 HydrophobicContact CD2-CG1 4.37Å; Y30-V34 HydrophobicContact CE1-CB 4.47Å; Y30-V34 HydrophobicContact CE1-CG1 3.76Å; Y30-V34 HydrophobicContact CE1-CG2 3.9Å; Y30-V34 HydrophobicContact CE2-CG1 3.87Å; Y30-V34 WeakPolarHBondContact O-CG2 3.45Å; Y30-V34 PolarHBondContact O-N 3.26Å |
| 31 | L | 93.1 | Very high | 89.4 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.9 | -42.9 | 176.8 | -74.1 | 177.2 | 0 | 0 | 0 | 111.2 | L9 C12 L13 T16 A27 E28 A33 V34 E35 | L9-L31 HydrophobicContact CD2-CD2 3.98Å; C12-L31 HydrophobicContact CB-CD2 4.46Å; L13-L31 HydrophobicContact CD2-CD1 4.05Å; L13-L31 HydrophobicContact CD2-CD2 4.44Å; T16-L31 HydrophobicContact CG2-CD1 3.6Å; A27-L31 WeakPolarHBondContact O-CG 3.23Å; A27-L31 PolarHBondContact O-N 3.46Å; E28-L31 PolarHBondContact O-N 3.23Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.35Å; L31-V34 PolarHBondContact O-N 2.97Å; L31-E35 PolarHBondContact O-N 3.4Å; L31-E35 VanDerWaalsContact O-N 3.1Å |
| 32 | K | 89.8 | Confident | 90.1 | Very high | 147 Ų | 147 | 66.5 Ų | 66.5 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66 | -31.8 | 176.1 | -166.6 | 168.4 | -174.4 | 173.3 | 0 | 113.2 | E28 A29 Y30 E35 | E28-K32 WeakPolarHBondContact O-CB 3.46Å; E28-K32 PolarHBondContact O-N 3.46Å; A29-K32 PolarHBondContact O-N 3.43Å; Y30-K32 PolarHBondContact O-N 2.94Å; K32-E35 WeakPolarHBondContact O-CG 3.48Å |
| 33 | A | 91.1 | Very high | 90.6 | Very high | 79 Ų | 79 | 60.2 Ų | 60.2 | 65% | 0.653 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -74 | -31.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A29 Y30 L31 | A29-A33 PolarHBondContact O-N 3.33Å; Y30-A33 WeakPolarHBondContact O-CA 3.29Å; Y30-A33 WeakPolarHBondContact O-CB 3.33Å; Y30-A33 PolarHBondContact O-N 3.44Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.35Å |
| 34 | V | 91.7 | Very high | 91 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -98.7 | -4.3 | -175.9 | -57.1 | 0 | 0 | 0 | 0 | 114.6 | F5 L9 Y30 L31 Q36 R37 Y40 | F5-V34 HydrophobicContact CE2-CB 4.29Å; F5-V34 HydrophobicContact CE2-CG2 4.37Å; F5-V34 HydrophobicContact CZ-CB 4.34Å; F5-V34 HydrophobicContact CZ-CG2 4.36Å; L9-V34 HydrophobicContact CD2-CG2 3.98Å; Y30-V34 HydrophobicContact CD1-CG1 4.27Å; Y30-V34 HydrophobicContact CD1-CG2 4.18Å; Y30-V34 HydrophobicContact CD2-CG1 4.37Å; Y30-V34 HydrophobicContact CE1-CB 4.47Å; Y30-V34 HydrophobicContact CE1-CG1 3.76Å; Y30-V34 HydrophobicContact CE1-CG2 3.9Å; Y30-V34 HydrophobicContact CE2-CG1 3.87Å; Y30-V34 WeakPolarHBondContact O-CG2 3.45Å; Y30-V34 PolarHBondContact O-N 3.26Å; L31-V34 PolarHBondContact O-N 2.97Å; V34-Q36 PolarHBondContact O-N 3.27Å; V34-Q36 VanDerWaalsContact O-N 3.1Å; V34-R37 VanDerWaalsContact O-CB 3.23Å; V34-R37 WeakPolarHBondContact O-CB 3.44Å; V34-R37 PolarHBondContact O-N 2.9Å; V34-Y40 HydrophobicContact CG2-CD2 4.38Å; V34-Y40 HydrophobicContact CG2-CE2 4.04Å |
| 35 | E | 90.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.9 | -175.8 | 72.3 | -173.1 | -177.7 | 0 | 0 | 114 | L31 K32 R37 Y40 F68 Y72 | L31-E35 PolarHBondContact O-N 3.4Å; L31-E35 VanDerWaalsContact O-N 3.1Å; K32-E35 WeakPolarHBondContact O-CG 3.48Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-Y40 HydrophobicContact CB-CD1 4.24Å; E35-Y40 HydrophobicContact CB-CE1 3.88Å; E35-F68 HydrophobicContact CB-CD2 4.09Å; E35-F68 HydrophobicContact CB-CE2 4.01Å; E35-F68 HydrophobicContact CG-CE2 4.49Å; E35-F68 WeakPolarHBondContact O-CE2 3.29Å; E35-Y72 HydrophobicContact CG-CE2 4.35Å; E35-Y72 WeakPolarHBondContact OE1-CE2 3.5Å; E35-Y72 VanDerWaalsContact OE1-CZ 3.3Å; E35-Y72 PolarHBondContact OE1-OH 2.86Å |
| 36 | Q | 84.6 | Confident | 91.9 | Very high | 127 Ų | 127 | 50.7 Ų | 50.7 | 59% | 0.593 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.1 | 176.1 | -61.9 | -174.6 | 2.7 | 0 | 0 | 113.7 | V34 | V34-Q36 PolarHBondContact O-N 3.27Å; V34-Q36 VanDerWaalsContact O-N 3.1Å |
| 37 | R | 90.3 | Very high | 92.1 | Very high | 95 Ų | 95 | 46.7 Ų | 46.7 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -68.8 | 136.9 | -179.2 | -169.6 | 169.3 | 173 | 176.6 | -4.5 | 109.8 | D2 F5 E8 V34 E35 S39 Y40 | D2-R37 IonicContact OD2-NH2 2.63Å; D2-R37 PolarHBondContact OD2-NH2 2.84Å; D2-R37 VanDerWaalsContact OD2-NH2 3.15Å; F5-R37 HydrophobicContact CE1-CB 4.37Å; F5-R37 HydrophobicContact CE1-CG 4.26Å; F5-R37 HydrophobicContact CZ-CB 4.11Å; F5-R37 HydrophobicContact CZ-CG 4.24Å; E8-R37 IonicContact OE2-NH1 3.63Å; V34-R37 VanDerWaalsContact O-CB 3.23Å; V34-R37 WeakPolarHBondContact O-CB 3.44Å; V34-R37 PolarHBondContact O-N 2.9Å; E35-R37 VanDerWaalsContact C-N 3.34Å; R37-S39 PolarHBondContact O-N 3.25Å; R37-Y40 WeakPolarHBondContact O-CB 3.36Å; R37-Y40 PolarHBondContact O-N 3.32Å; R37-Y40 VanDerWaalsContact O-N 3.12Å |
| 38 | P | 88.1 | Confident | 92.3 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 43% | 0.429 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 141.1 | 176.2 | -26.7 | 35.1 | 0 | 0 | 0 | 112.1 | Y40 | P38-Y40 PolarHBondContact O-N 3.47Š|
| 39 | S | 91.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 44 Ų | 44 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 10.3 | -177 | -54 | 0 | 0 | 0 | 0 | 116 | R37 C41 L42 C43 D87 | R37-S39 PolarHBondContact O-N 3.25Å; S39-C41 VanDerWaalsContact C-N 3.32Å; S39-C41 PolarHBondContact O-N 3.21Å; S39-L42 PolarHBondContact O-N 3.21Å; S39-L42 VanDerWaalsContact O-N 3.09Å; S39-C43 PolarHBondContact O-N 2.74Å; S39-C43 PolarHBondContact O-SG 3.06Å; S39-C43 VanDerWaalsContact O-SG 3.41Å; S39-D87 WeakPolarHBondContact CA-OD1 3.41Å; S39-D87 WeakPolarHBondContact CA-OD2 3.39Å; S39-D87 PolarHBondContact N-OD1 2.83Å; S39-D87 PolarHBondContact N-OD2 3.38Å; S39-D87 PolarHBondContact OG-OD1 2.93Å |
| 40 | Y | 94 | Very high | 92.5 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -48.4 | -51.6 | 176.2 | 173 | -106.6 | 0 | 0 | 0 | 112.6 | F5 L9 V34 E35 R37 P38 L42 C43 L44 T64 F68 | F5-Y40 HydrophobicContact CE1-CD2 4.42Å; F5-Y40 HydrophobicContact CZ-CD2 4.08Å; L9-Y40 HydrophobicContact CD1-CD2 4.17Å; L9-Y40 HydrophobicContact CD1-CE2 4.43Å; L9-Y40 HydrophobicContact CD2-CD2 4.13Å; L9-Y40 HydrophobicContact CD2-CE2 3.75Å; V34-Y40 HydrophobicContact CG2-CD2 4.38Å; V34-Y40 HydrophobicContact CG2-CE2 4.04Å; E35-Y40 HydrophobicContact CB-CD1 4.24Å; E35-Y40 HydrophobicContact CB-CE1 3.88Å; R37-Y40 WeakPolarHBondContact O-CB 3.36Å; R37-Y40 PolarHBondContact O-N 3.32Å; R37-Y40 VanDerWaalsContact O-N 3.12Å; P38-Y40 PolarHBondContact O-N 3.47Å; Y40-L42 PolarHBondContact O-N 2.9Å; Y40-C43 PolarHBondContact O-N 3.46Å; Y40-L44 HydrophobicContact CD1-CD1 4.12Å; Y40-L44 HydrophobicContact CE1-CD1 3.56Å; Y40-L44 HydrophobicContact CE1-CG 4.46Å; Y40-L44 HydrophobicContact CE2-CD1 4.37Å; Y40-L44 WeakPolarHBondContact O-CG 3.39Å; Y40-L44 PolarHBondContact O-N 3.03Å; Y40-T64 WeakPolarHBondContact OH-CG2 3.38Å; Y40-F68 HydrophobicContact CD1-CD1 4.46Å; Y40-F68 AromaticContact CD1-CD2 3.91Å; Y40-F68 HydrophobicContact CD1-CD2 3.91Å; Y40-F68 HydrophobicContact CD1-CE1 4.44Å; Y40-F68 AromaticContact CD1-CE2 3.89Å; Y40-F68 HydrophobicContact CD1-CE2 3.89Å; Y40-F68 HydrophobicContact CD1-CG 4.2Å; Y40-F68 HydrophobicContact CD1-CZ 4.15Å; Y40-F68 HydrophobicContact CE1-CB 4.39Å; Y40-F68 AromaticContact CE1-CD2 3.73Å; Y40-F68 HydrophobicContact CE1-CD2 3.73Å; Y40-F68 HydrophobicContact CE1-CE2 4.16Å; Y40-F68 HydrophobicContact CE1-CG 4.02Å |
| 41 | C | 93.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.9 | -34.6 | -179.8 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | S39 L44 L45 L65 F68 L91 | S39-C41 VanDerWaalsContact C-N 3.32Å; S39-C41 PolarHBondContact O-N 3.21Å; C41-L44 PolarHBondContact O-N 2.98Å; C41-L45 PolarHBondContact O-N 3.41Å; C41-L65 HydrophobicContact CB-CD1 3.7Å; C41-F68 HydrophobicContact CB-CD1 4.01Å; C41-F68 HydrophobicContact CB-CE1 3.87Å; C41-L91 HydrophobicContact CB-CD1 3.74Å; C41-L91 HydrophobicContact CB-CD2 4.46Å; C41-L91 HydrophobicContact CB-CG 4.35Å; C41-L91 WeakPolarHBondContact SG-CD1 3.3Å |
| 42 | L | 94.8 | Very high | 92.4 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.1 | -35.7 | 175.5 | -63 | 177.9 | 0 | 0 | 0 | 111.6 | M1 S39 Y40 L45 H46 L91 | M1-L42 HydrophobicContact SD-CB 3.99Å; S39-L42 PolarHBondContact O-N 3.21Å; S39-L42 VanDerWaalsContact O-N 3.09Å; Y40-L42 PolarHBondContact O-N 2.9Å; L42-L45 PolarHBondContact O-N 3.48Å; L42-H46 PolarHBondContact O-N 2.97Å; L42-L91 HydrophobicContact CD2-CD2 4.26Å; L42-L91 HydrophobicContact CD2-CG 4.09Å |
| 43 | C | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 172.5 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | I6 L9 S39 Y40 L45 H46 I47 | I6-C43 HydrophobicContact CG1-CB 4.09Å; L9-C43 HydrophobicContact CD1-CB 3.7Å; S39-C43 PolarHBondContact O-N 2.74Å; S39-C43 PolarHBondContact O-SG 3.06Å; S39-C43 VanDerWaalsContact O-SG 3.41Å; Y40-C43 PolarHBondContact O-N 3.46Å; C43-L45 VanDerWaalsContact C-N 3.31Å; C43-L45 PolarHBondContact O-N 3.17Å; C43-H46 PolarHBondContact O-N 2.59Å; C43-I47 VanDerWaalsContact O-CG1 3.26Å; C43-I47 WeakPolarHBondContact O-CG1 3.19Å; C43-I47 PolarHBondContact O-N 2.94Å |
| 44 | L | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 173.2 | -68.2 | 175.9 | 0 | 0 | 0 | 112 | L13 Y40 C41 H46 I47 L48 A61 T64 L65 | L13-L44 HydrophobicContact CD1-CD2 3.91Å; Y40-L44 HydrophobicContact CD1-CD1 4.12Å; Y40-L44 HydrophobicContact CE1-CD1 3.56Å; Y40-L44 HydrophobicContact CE1-CG 4.46Å; Y40-L44 HydrophobicContact CE2-CD1 4.37Å; Y40-L44 WeakPolarHBondContact O-CG 3.39Å; Y40-L44 PolarHBondContact O-N 3.03Å; C41-L44 PolarHBondContact O-N 2.98Å; L44-H46 VanDerWaalsContact C-N 3.35Å; L44-I47 PolarHBondContact O-N 3.31Å; L44-L48 WeakPolarHBondContact O-CD2 3.46Å; L44-L48 WeakPolarHBondContact O-CG 3.49Å; L44-L48 PolarHBondContact O-N 3.34Å; L44-A61 HydrophobicContact CD2-CB 4.44Å; L44-T64 HydrophobicContact CD1-CG2 3.86Å; L44-T64 HydrophobicContact CD2-CG2 4.35Å; L44-L65 HydrophobicContact CB-CB 4.16Å; L44-L65 HydrophobicContact CD1-CB 4.08Å; L44-L65 HydrophobicContact CD1-CD1 4.5Å |
| 45 | L | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 176 | -166.8 | 70.7 | 0 | 0 | 0 | 111.7 | C41 L42 C43 L48 Q49 L65 L91 Q94 L95 A98 L110 | C41-L45 PolarHBondContact O-N 3.41Å; L42-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact C-N 3.31Å; C43-L45 PolarHBondContact O-N 3.17Å; L45-L48 HydrophobicContact CD1-CD1 4.25Å; L45-L48 HydrophobicContact CD1-CD2 4.22Å; L45-L48 HydrophobicContact CD1-CG 4.48Å; L45-L48 WeakPolarHBondContact O-CG 3.35Å; L45-Q49 WeakPolarHBondContact O-CB 3.42Å; L45-Q49 VanDerWaalsContact O-CG 3.26Å; L45-Q49 WeakPolarHBondContact O-CG 3.09Å; L45-Q49 PolarHBondContact O-N 3.11Å; L45-Q49 PolarHBondContact O-OE1 3.34Å; L45-L65 HydrophobicContact CB-CD2 4.37Å; L45-L65 HydrophobicContact CD1-CD2 3.9Å; L45-L91 HydrophobicContact CD2-CD2 4.24Å; L45-Q94 HydrophobicContact CD2-CB 3.67Å; L45-L95 HydrophobicContact CD1-CD1 3.86Å; L45-A98 HydrophobicContact CD1-CB 3.66Å; L45-A98 HydrophobicContact CD2-CB 4.27Å; L45-A98 HydrophobicContact CG-CB 4.11Å; L45-L110 HydrophobicContact CD1-CD2 4.23Å |
| 46 | H | 94.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 39% | 0.394 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 175.5 | -172 | 71.5 | 0 | 0 | 0 | 112 | M1 L42 C43 L44 L48 Q49 D50 | M1-H46 HydrophobicContact SD-CB 4.37Å; L42-H46 PolarHBondContact O-N 2.97Å; C43-H46 PolarHBondContact O-N 2.59Å; L44-H46 VanDerWaalsContact C-N 3.35Å; H46-L48 PolarHBondContact O-N 3.22Å; H46-Q49 PolarHBondContact O-N 3.45Å; H46-D50 PolarHBondContact O-N 2.91Å; H46-D50 VanDerWaalsContact O-N 3.09Å |
| 47 | I | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 179.6 | -69.3 | 166.4 | 0 | 0 | 0 | 111.3 | I6 L9 T10 L13 C43 L44 Q49 D50 I53 A61 | I6-I47 HydrophobicContact CG2-CD1 4.36Å; I6-I47 HydrophobicContact CG2-CG1 3.94Å; L9-I47 HydrophobicContact CB-CD1 3.68Å; L9-I47 HydrophobicContact CD1-CD1 4.48Å; T10-I47 WeakPolarHBondContact OG1-CD1 3.21Å; L13-I47 HydrophobicContact CD1-CD1 4.16Å; L13-I47 HydrophobicContact CD1-CG2 4.1Å; C43-I47 VanDerWaalsContact O-CG1 3.26Å; C43-I47 WeakPolarHBondContact O-CG1 3.19Å; C43-I47 PolarHBondContact O-N 2.94Å; L44-I47 PolarHBondContact O-N 3.31Å; I47-Q49 VanDerWaalsContact C-N 3.28Å; I47-Q49 PolarHBondContact O-N 3.43Å; I47-D50 PolarHBondContact O-N 3.33Å; I47-I53 HydrophobicContact CB-CD1 4.25Å; I47-I53 HydrophobicContact CG1-CD1 4.42Å; I47-I53 HydrophobicContact CG2-CD1 3.82Å; I47-I53 HydrophobicContact CG2-CG2 4.46Å; I47-A61 HydrophobicContact CB-CB 4.36Å; I47-A61 HydrophobicContact CG2-CB 3.86Å |
| 48 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.9 | -22.6 | -179.9 | 68.8 | 84.2 | 0 | 0 | 0 | 113.1 | L44 L45 H46 R58 A61 A62 L65 I106 L110 | L44-L48 WeakPolarHBondContact O-CD2 3.46Å; L44-L48 WeakPolarHBondContact O-CG 3.49Å; L44-L48 PolarHBondContact O-N 3.34Å; L45-L48 HydrophobicContact CD1-CD1 4.25Å; L45-L48 HydrophobicContact CD1-CD2 4.22Å; L45-L48 HydrophobicContact CD1-CG 4.48Å; L45-L48 WeakPolarHBondContact O-CG 3.35Å; H46-L48 PolarHBondContact O-N 3.22Å; L48-R58 VanDerWaalsContact O-CZ 3.28Å; L48-R58 PolarHBondContact O-NE 3.31Å; L48-R58 PolarHBondContact O-NH2 3.01Å; L48-A61 HydrophobicContact CB-CB 4.02Å; L48-A62 HydrophobicContact CD2-CB 4.07Å; L48-L65 HydrophobicContact CD2-CD2 3.9Å; L48-I106 HydrophobicContact CB-CG2 4.48Å; L48-I106 HydrophobicContact CD1-CG2 4.02Å; L48-L110 HydrophobicContact CD1-CD1 3.87Å; L48-L110 HydrophobicContact CD1-CD2 4.33Å; L48-L110 HydrophobicContact CD2-CD2 3.94Å |
| 49 | Q | 93.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 27% | 0.271 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -84.7 | -25.1 | 177.8 | -74 | -175.6 | -76.1 | 0 | 0 | 113.2 | L45 H46 I47 P51 A98 S101 | L45-Q49 WeakPolarHBondContact O-CB 3.42Å; L45-Q49 VanDerWaalsContact O-CG 3.26Å; L45-Q49 WeakPolarHBondContact O-CG 3.09Å; L45-Q49 PolarHBondContact O-N 3.11Å; L45-Q49 PolarHBondContact O-OE1 3.34Å; H46-Q49 PolarHBondContact O-N 3.45Å; I47-Q49 VanDerWaalsContact C-N 3.28Å; I47-Q49 PolarHBondContact O-N 3.43Å; Q49-P51 VanDerWaalsContact O-CD 3.22Å; Q49-P51 WeakPolarHBondContact O-CD 3.33Å; Q49-A98 VanDerWaalsContact CD-CB 3.47Å; Q49-A98 HydrophobicContact CG-CB 3.96Å; Q49-A98 VanDerWaalsContact NE2-CA 3.26Å; Q49-A98 VanDerWaalsContact NE2-CB 3.35Å; Q49-S101 PolarHBondContact NE2-OG 3.42Å |
| 50 | D | 93.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | trans | -69.1 | 112.9 | -178.3 | -172 | -9.8 | 0 | 0 | 0 | 111.2 | H46 I47 N52 I53 R58 | H46-D50 PolarHBondContact O-N 2.91Å; H46-D50 VanDerWaalsContact O-N 3.09Å; I47-D50 PolarHBondContact O-N 3.33Å; D50-N52 PolarHBondContact O-N 3.07Å; D50-N52 VanDerWaalsContact OD1-CB 3.29Å; D50-N52 WeakPolarHBondContact OD1-CB 3.36Å; D50-N52 PolarHBondContact OD1-N 3.07Å; D50-N52 PolarHBondContact OD1-ND2 3.27Å; D50-I53 HydrophobicContact CB-CD1 3.92Å; D50-I53 HydrophobicContact CB-CG1 4.01Å; D50-I53 PolarHBondContact O-N 2.85Å; D50-R58 WeakPolarHBondContact O-CD 3.48Å; D50-R58 PolarHBondContact O-NE 3.35Å | ||
| 51 | P | 89.9 | Confident | 93.7 | Very high | 101 Ų | 101 | 37.3 Ų | 37.3 | 66% | 0.656 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15 | 179.5 | 30.2 | -35.9 | 0 | 0 | 0 | 113.4 | Q49 I53 | Q49-P51 VanDerWaalsContact O-CD 3.22Å; Q49-P51 WeakPolarHBondContact O-CD 3.33Å; P51-I53 VanDerWaalsContact C-N 3.29Å |
| 52 | N | 93.2 | Very high | 93.8 | Very high | 142 Ų | 142 | 37.3 Ų | 37.3 | 76% | 0.759 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.3 | 178.4 | -56.6 | -64 | 0 | 0 | 0 | 112.9 | D50 | D50-N52 PolarHBondContact O-N 3.07Å; D50-N52 VanDerWaalsContact OD1-CB 3.29Å; D50-N52 WeakPolarHBondContact OD1-CB 3.36Å; D50-N52 PolarHBondContact OD1-N 3.07Å; D50-N52 PolarHBondContact OD1-ND2 3.27Å |
| 53 | I | 92.7 | Very high | 93.8 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -86.2 | 136.2 | 179 | -62.1 | -178 | 0 | 0 | 0 | 109.6 | T10 I47 D50 P51 S55 T57 R58 | T10-I53 HydrophobicContact CG2-CD1 4.06Å; T10-I53 HydrophobicContact CG2-CG2 4.27Å; I47-I53 HydrophobicContact CB-CD1 4.25Å; I47-I53 HydrophobicContact CG1-CD1 4.42Å; I47-I53 HydrophobicContact CG2-CD1 3.82Å; I47-I53 HydrophobicContact CG2-CG2 4.46Å; D50-I53 HydrophobicContact CB-CD1 3.92Å; D50-I53 HydrophobicContact CB-CG1 4.01Å; D50-I53 PolarHBondContact O-N 2.85Å; P51-I53 VanDerWaalsContact C-N 3.29Å; I53-S55 PolarHBondContact O-N 3.44Å; I53-T57 HydrophobicContact CG2-CG2 3.78Å; I53-R58 HydrophobicContact CB-CG 3.98Å; I53-R58 HydrophobicContact CG2-CG 3.9Å; I53-R58 WeakPolarHBondContact O-CD 3.44Å |
| 54 | P | 91.5 | Very high | 93.8 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | trans | -54.6 | 139.2 | 178.9 | -26.9 | 34.8 | 0 | 0 | 0 | 113.2 | P56 T57 R58 | P54-P56 VanDerWaalsContact C-CD 3.46Å; P54-T57 WeakPolarHBondContact O-CB 3.29Å; P54-T57 PolarHBondContact O-N 3.26Å; P54-R58 PolarHBondContact O-N 2.98Å; P54-R58 VanDerWaalsContact O-N 3.12Å | ||
| 55 | S | 91.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 48% | 0.483 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -50.8 | -44.3 | -177.6 | -176 | 0 | 0 | 0 | 0 | 114.5 | I53 T57 R58 I59 | I53-S55 PolarHBondContact O-N 3.44Å; S55-T57 VanDerWaalsContact C-N 3.27Å; S55-T57 PolarHBondContact O-N 2.77Å; S55-R58 PolarHBondContact O-N 3.12Å; S55-R58 VanDerWaalsContact O-N 3.13Å; S55-I59 WeakPolarHBondContact O-CG1 3.48Å; S55-I59 PolarHBondContact O-N 3.49Å |
| 56 | P | 91.5 | Very high | 93.8 | Very high | 74 Ų | 74 | 43 Ų | 43 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.3 | -39 | 177.2 | -25.8 | 35.8 | 0 | 0 | 0 | 113.3 | V17 P54 I59 A60 | V17-P56 HydrophobicContact CG2-CB 4.42Å; P54-P56 VanDerWaalsContact C-CD 3.46Å; P56-I59 PolarHBondContact O-N 2.96Å; P56-A60 WeakPolarHBondContact O-CB 3.26Å; P56-A60 PolarHBondContact O-N 2.86Å |
| 57 | T | 93.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.2 | -39.9 | 177.9 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | T10 L13 Q14 I53 P54 S55 I59 A60 A61 | T10-T57 HydrophobicContact CG2-CG2 4.29Å; L13-T57 HydrophobicContact CB-CG2 3.79Å; Q14-T57 HydrophobicContact CG-CG2 3.84Å; Q14-T57 WeakPolarHBondContact CG-OG1 3.22Å; I53-T57 HydrophobicContact CG2-CG2 3.78Å; P54-T57 WeakPolarHBondContact O-CB 3.29Å; P54-T57 PolarHBondContact O-N 3.26Å; S55-T57 VanDerWaalsContact C-N 3.27Å; S55-T57 PolarHBondContact O-N 2.77Å; T57-I59 VanDerWaalsContact C-N 3.35Å; T57-A60 PolarHBondContact O-N 2.86Å; T57-A61 WeakPolarHBondContact O-CB 3.27Å; T57-A61 PolarHBondContact O-N 3.46Å |
| 58 | R | 95.4 | Very high | 93.8 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 175.9 | -63.6 | 175.9 | 60.8 | -168.3 | 2.1 | 111.9 | L48 D50 I53 P54 S55 A61 A62 I106 | L48-R58 VanDerWaalsContact O-CZ 3.28Å; L48-R58 PolarHBondContact O-NE 3.31Å; L48-R58 PolarHBondContact O-NH2 3.01Å; D50-R58 WeakPolarHBondContact O-CD 3.48Å; D50-R58 PolarHBondContact O-NE 3.35Å; I53-R58 HydrophobicContact CB-CG 3.98Å; I53-R58 HydrophobicContact CG2-CG 3.9Å; I53-R58 WeakPolarHBondContact O-CD 3.44Å; P54-R58 PolarHBondContact O-N 2.98Å; P54-R58 VanDerWaalsContact O-N 3.12Å; S55-R58 PolarHBondContact O-N 3.12Å; S55-R58 VanDerWaalsContact O-N 3.13Å; R58-A61 WeakPolarHBondContact O-CB 3.47Å; R58-A61 PolarHBondContact O-N 3.3Å; R58-A62 PolarHBondContact O-N 3.25Å; R58-I106 HydrophobicContact CB-CD1 3.74Å |
| 59 | I | 93.8 | Very high | 93.8 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 22% | 0.221 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | 174 | -66.3 | 167.8 | 0 | 0 | 0 | 110.3 | S55 P56 T57 A61 A62 I63 I106 | S55-I59 WeakPolarHBondContact O-CG1 3.48Å; S55-I59 PolarHBondContact O-N 3.49Å; P56-I59 PolarHBondContact O-N 2.96Å; T57-I59 VanDerWaalsContact C-N 3.35Å; I59-A61 VanDerWaalsContact C-N 3.3Å; I59-A61 PolarHBondContact O-N 3.27Å; I59-A62 PolarHBondContact O-N 2.93Å; I59-A62 VanDerWaalsContact O-N 3.16Å; I59-I63 HydrophobicContact CG2-CD1 3.8Å; I59-I63 HydrophobicContact CG2-CG1 4.36Å; I59-I63 WeakPolarHBondContact O-CG1 3.42Å; I59-I63 PolarHBondContact O-N 3.36Å; I59-I106 HydrophobicContact CG1-CD1 4.47Å; I59-I106 HydrophobicContact CG1-CG1 3.92Å |
| 60 | A | 94.2 | Very high | 93.7 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L13 V17 P56 T57 I63 T64 | L13-A60 HydrophobicContact CD2-CB 4.14Å; V17-A60 HydrophobicContact CG1-CB 4.17Å; P56-A60 WeakPolarHBondContact O-CB 3.26Å; P56-A60 PolarHBondContact O-N 2.86Å; T57-A60 PolarHBondContact O-N 2.86Å; A60-I63 PolarHBondContact O-N 3.28Å; A60-T64 VanDerWaalsContact O-CB 3.31Å; A60-T64 WeakPolarHBondContact O-CB 3.37Å; A60-T64 PolarHBondContact O-N 3.02Å; A60-T64 PolarHBondContact O-OG1 3.07Å |
| 61 | A | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L13 L44 I47 L48 T57 R58 I59 T64 L65 | L13-A61 HydrophobicContact CD1-CB 3.78Å; L44-A61 HydrophobicContact CD2-CB 4.44Å; I47-A61 HydrophobicContact CB-CB 4.36Å; I47-A61 HydrophobicContact CG2-CB 3.86Å; L48-A61 HydrophobicContact CB-CB 4.02Å; T57-A61 WeakPolarHBondContact O-CB 3.27Å; T57-A61 PolarHBondContact O-N 3.46Å; R58-A61 WeakPolarHBondContact O-CB 3.47Å; R58-A61 PolarHBondContact O-N 3.3Å; I59-A61 VanDerWaalsContact C-N 3.3Å; I59-A61 PolarHBondContact O-N 3.27Å; A61-T64 PolarHBondContact O-N 2.97Å; A61-L65 WeakPolarHBondContact O-CB 3.43Å; A61-L65 PolarHBondContact O-N 3.09Å |
| 62 | A | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L48 R58 I59 L65 K66 I106 Q109 | L48-A62 HydrophobicContact CD2-CB 4.07Å; R58-A62 PolarHBondContact O-N 3.25Å; I59-A62 PolarHBondContact O-N 2.93Å; I59-A62 VanDerWaalsContact O-N 3.16Å; A62-L65 PolarHBondContact O-N 3.23Å; A62-K66 WeakPolarHBondContact O-CB 3.34Å; A62-K66 PolarHBondContact O-N 3.15Å; A62-I106 HydrophobicContact CB-CG2 4.09Å; A62-Q109 HydrophobicContact CB-CB 3.89Å; A62-Q109 HydrophobicContact CB-CG 4.25Å |
| 63 | I | 94.9 | Very high | 93.6 | Very high | 64 Ų | 64 | 39.6 Ų | 39.6 | 33% | 0.328 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 175 | -67.5 | 169.3 | 0 | 0 | 0 | 110.3 | I59 A60 K66 N67 Q109 | I59-I63 HydrophobicContact CG2-CD1 3.8Å; I59-I63 HydrophobicContact CG2-CG1 4.36Å; I59-I63 WeakPolarHBondContact O-CG1 3.42Å; I59-I63 PolarHBondContact O-N 3.36Å; A60-I63 PolarHBondContact O-N 3.28Å; I63-K66 PolarHBondContact O-N 2.82Å; I63-N67 WeakPolarHBondContact O-CB 3.14Å; I63-N67 VanDerWaalsContact O-CG 3.22Å; I63-N67 PolarHBondContact O-N 3.35Å; I63-N67 PolarHBondContact O-ND2 2.99Å; I63-Q109 HydrophobicContact CG1-CG 4.06Å |
| 64 | T | 95.3 | Very high | 93.4 | Very high | 27 Ų | 27 | 44 Ų | 44 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | Y40 L44 A60 A61 K66 N67 F68 | Y40-T64 WeakPolarHBondContact OH-CG2 3.38Å; L44-T64 HydrophobicContact CD1-CG2 3.86Å; L44-T64 HydrophobicContact CD2-CG2 4.35Å; A60-T64 VanDerWaalsContact O-CB 3.31Å; A60-T64 WeakPolarHBondContact O-CB 3.37Å; A60-T64 PolarHBondContact O-N 3.02Å; A60-T64 PolarHBondContact O-OG1 3.07Å; A61-T64 PolarHBondContact O-N 2.97Å; T64-K66 PolarHBondContact O-N 3.07Å; T64-N67 PolarHBondContact O-N 2.96Å; T64-F68 VanDerWaalsContact O-CB 3.32Å; T64-F68 WeakPolarHBondContact O-CB 3.4Å; T64-F68 PolarHBondContact O-N 2.99Å |
| 65 | L | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.8 | 177.3 | 60.8 | 0 | 0 | 0 | 111.7 | C41 L44 L45 L48 A61 A62 N67 F68 I69 L91 L110 | C41-L65 HydrophobicContact CB-CD1 3.7Å; L44-L65 HydrophobicContact CB-CB 4.16Å; L44-L65 HydrophobicContact CD1-CB 4.08Å; L44-L65 HydrophobicContact CD1-CD1 4.5Å; L45-L65 HydrophobicContact CB-CD2 4.37Å; L45-L65 HydrophobicContact CD1-CD2 3.9Å; L48-L65 HydrophobicContact CD2-CD2 3.9Å; A61-L65 WeakPolarHBondContact O-CB 3.43Å; A61-L65 PolarHBondContact O-N 3.09Å; A62-L65 PolarHBondContact O-N 3.23Å; L65-N67 PolarHBondContact O-N 3.18Å; L65-F68 WeakPolarHBondContact O-CB 3.15Å; L65-F68 PolarHBondContact O-N 3.44Å; L65-I69 HydrophobicContact CD1-CD1 3.96Å; L65-I69 HydrophobicContact CD1-CG1 4.37Å; L65-I69 HydrophobicContact CG-CD1 3.99Å; L65-I69 WeakPolarHBondContact O-CG1 3.07Å; L65-I69 PolarHBondContact O-N 3.03Å; L65-L91 HydrophobicContact CD1-CD2 4.22Å; L65-L110 HydrophobicContact CD2-CD2 4.05Å |
| 66 | K | 95.3 | Very high | 92.4 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -47 | 177 | -177.5 | -159.3 | 69.9 | -174.3 | 0 | 111.5 | A62 I63 T64 F68 I69 K70 E112 A113 | A62-K66 WeakPolarHBondContact O-CB 3.34Å; A62-K66 PolarHBondContact O-N 3.15Å; I63-K66 PolarHBondContact O-N 2.82Å; T64-K66 PolarHBondContact O-N 3.07Å; K66-F68 VanDerWaalsContact C-N 3.32Å; K66-F68 PolarHBondContact O-N 3.35Å; K66-I69 PolarHBondContact O-N 3.22Å; K66-K70 WeakPolarHBondContact O-CB 3.34Å; K66-K70 PolarHBondContact O-N 3.23Å; K66-E112 HydrophobicContact CD-CB 4.01Å; K66-E112 HydrophobicContact CG-CB 4.47Å; K66-A113 HydrophobicContact CB-CB 4.37Å; K66-A113 HydrophobicContact CG-CB 4.39Å |
| 67 | N | 93.8 | Very high | 91.4 | Very high | 69 Ų | 69 | 46.9 Ų | 46.9 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65 | -37.8 | 179.5 | -70.3 | -14.3 | 0 | 0 | 0 | 111.7 | I63 T64 L65 K70 N71 | I63-N67 WeakPolarHBondContact O-CB 3.14Å; I63-N67 VanDerWaalsContact O-CG 3.22Å; I63-N67 PolarHBondContact O-N 3.35Å; I63-N67 PolarHBondContact O-ND2 2.99Å; T64-N67 PolarHBondContact O-N 2.96Å; L65-N67 PolarHBondContact O-N 3.18Å; N67-K70 PolarHBondContact O-N 3.36Å; N67-N71 WeakPolarHBondContact O-CB 3.31Å; N67-N71 PolarHBondContact O-N 3.14Å; N67-N71 PolarHBondContact O-ND2 2.94Å |
| 68 | F | 94.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 54 Ų | 54 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 174.6 | 178.7 | -99.3 | 0 | 0 | 0 | 111.9 | E35 Y40 C41 T64 L65 K66 N71 Y72 I83 | E35-F68 HydrophobicContact CB-CD2 4.09Å; E35-F68 HydrophobicContact CB-CE2 4.01Å; E35-F68 HydrophobicContact CG-CE2 4.49Å; E35-F68 WeakPolarHBondContact O-CE2 3.29Å; Y40-F68 HydrophobicContact CD1-CD1 4.46Å; Y40-F68 AromaticContact CD1-CD2 3.91Å; Y40-F68 HydrophobicContact CD1-CD2 3.91Å; Y40-F68 HydrophobicContact CD1-CE1 4.44Å; Y40-F68 AromaticContact CD1-CE2 3.89Å; Y40-F68 HydrophobicContact CD1-CE2 3.89Å; Y40-F68 HydrophobicContact CD1-CG 4.2Å; Y40-F68 HydrophobicContact CD1-CZ 4.15Å; Y40-F68 HydrophobicContact CE1-CB 4.39Å; Y40-F68 AromaticContact CE1-CD2 3.73Å; Y40-F68 HydrophobicContact CE1-CD2 3.73Å; Y40-F68 HydrophobicContact CE1-CE2 4.16Å; Y40-F68 HydrophobicContact CE1-CG 4.02Å; C41-F68 HydrophobicContact CB-CD1 4.01Å; C41-F68 HydrophobicContact CB-CE1 3.87Å; T64-F68 VanDerWaalsContact O-CB 3.32Å; T64-F68 WeakPolarHBondContact O-CB 3.4Å; T64-F68 PolarHBondContact O-N 2.99Å; L65-F68 WeakPolarHBondContact O-CB 3.15Å; L65-F68 PolarHBondContact O-N 3.44Å; K66-F68 VanDerWaalsContact C-N 3.32Å; K66-F68 PolarHBondContact O-N 3.35Å; F68-N71 PolarHBondContact O-N 3.45Å; F68-Y72 AromaticContact CD2-CD2 3.6Å; F68-Y72 HydrophobicContact CD2-CD2 3.6Å; F68-Y72 HydrophobicContact CD2-CE2 4.05Å; F68-Y72 AromaticContact CE2-CD2 3.69Å; F68-Y72 HydrophobicContact CE2-CD2 3.69Å; F68-Y72 HydrophobicContact CE2-CE2 4.25Å; F68-Y72 HydrophobicContact CG-CD2 4.35Å; F68-Y72 PolarHBondContact O-N 3.42Å; F68-Y72 VanDerWaalsContact O-N 3.09Å; F68-I83 HydrophobicContact CD1-CD1 4.4Å; F68-I83 HydrophobicContact CE1-CD1 3.66Å; F68-I83 HydrophobicContact CE1-CG1 3.88Å; F68-I83 HydrophobicContact CZ-CD1 4.07Å; F68-I83 HydrophobicContact CZ-CG1 3.81Å |
| 69 | I | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 174.6 | -69.7 | 164.1 | 0 | 0 | 0 | 110 | L65 K66 N71 Y72 W73 L91 A113 T116 I117 | L65-I69 HydrophobicContact CD1-CD1 3.96Å; L65-I69 HydrophobicContact CD1-CG1 4.37Å; L65-I69 HydrophobicContact CG-CD1 3.99Å; L65-I69 WeakPolarHBondContact O-CG1 3.07Å; L65-I69 PolarHBondContact O-N 3.03Å; K66-I69 PolarHBondContact O-N 3.22Å; I69-N71 VanDerWaalsContact C-N 3.28Å; I69-N71 PolarHBondContact O-N 2.97Å; I69-Y72 PolarHBondContact O-N 3.2Å; I69-W73 HydrophobicContact CG1-CE3 4.13Å; I69-W73 HydrophobicContact CG1-CZ3 4.43Å; I69-W73 HydrophobicContact CG2-CB 4.01Å; I69-W73 HydrophobicContact CG2-CD2 4.31Å; I69-W73 HydrophobicContact CG2-CE3 4.22Å; I69-W73 HydrophobicContact CG2-CG 4.26Å; I69-W73 WeakPolarHBondContact O-CB 3.32Å; I69-W73 PolarHBondContact O-N 3.27Å; I69-L91 HydrophobicContact CD1-CD1 4.47Å; I69-A113 HydrophobicContact CD1-CB 3.77Å; I69-T116 HydrophobicContact CG2-CG2 3.89Å; I69-I117 HydrophobicContact CD1-CD1 4.02Å; I69-I117 HydrophobicContact CG2-CD1 4.27Å; I69-I117 HydrophobicContact CG2-CG1 3.63Å |
| 70 | K | 92.5 | Very high | 88.8 | Confident | 145 Ų | 145 | 61 Ų | 61 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.1 | -39.3 | 179.5 | -175.7 | 179.4 | 175.4 | -177.9 | 0 | 113.4 | K66 N67 | K66-K70 WeakPolarHBondContact O-CB 3.34Å; K66-K70 PolarHBondContact O-N 3.23Å; N67-K70 PolarHBondContact O-N 3.36Å |
| 71 | N | 89.9 | Confident | 88.3 | Confident | 99 Ų | 99 | 64.1 Ų | 64.1 | 53% | 0.529 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -83.4 | -27.8 | -174.9 | -67.3 | -16.4 | 0 | 0 | 0 | 113.8 | N67 F68 I69 | N67-N71 WeakPolarHBondContact O-CB 3.31Å; N67-N71 PolarHBondContact O-N 3.14Å; N67-N71 PolarHBondContact O-ND2 2.94Å; F68-N71 PolarHBondContact O-N 3.45Å; I69-N71 VanDerWaalsContact C-N 3.28Å; I69-N71 PolarHBondContact O-N 2.97Å |
| 72 | Y | 91.3 | Very high | 87.7 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 13% | 0.129 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -132.2 | -0.8 | -165.8 | -55.8 | -53.9 | 0 | 0 | 0 | 115 | E35 F68 I69 R82 I83 R88 | E35-Y72 HydrophobicContact CG-CE2 4.35Å; E35-Y72 WeakPolarHBondContact OE1-CE2 3.5Å; E35-Y72 VanDerWaalsContact OE1-CZ 3.3Å; E35-Y72 PolarHBondContact OE1-OH 2.86Å; F68-Y72 AromaticContact CD2-CD2 3.6Å; F68-Y72 HydrophobicContact CD2-CD2 3.6Å; F68-Y72 HydrophobicContact CD2-CE2 4.05Å; F68-Y72 AromaticContact CE2-CD2 3.69Å; F68-Y72 HydrophobicContact CE2-CD2 3.69Å; F68-Y72 HydrophobicContact CE2-CE2 4.25Å; F68-Y72 HydrophobicContact CG-CD2 4.35Å; F68-Y72 PolarHBondContact O-N 3.42Å; F68-Y72 VanDerWaalsContact O-N 3.09Å; I69-Y72 PolarHBondContact O-N 3.2Å; Y72-R82 PolarHBondContact OH-NH1 2.74Å; Y72-I83 WeakPolarHBondContact O-CD1 3.36Å; Y72-R88 PolarHBondContact O-NH2 3.03Å |
| 73 | W | 92.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -72.9 | -43.6 | 178.4 | -157.8 | -92.7 | 0 | 0 | 0 | 112.2 | I69 I83 R88 L91 R92 I117 D121 | I69-W73 HydrophobicContact CG1-CE3 4.13Å; I69-W73 HydrophobicContact CG1-CZ3 4.43Å; I69-W73 HydrophobicContact CG2-CB 4.01Å; I69-W73 HydrophobicContact CG2-CD2 4.31Å; I69-W73 HydrophobicContact CG2-CE3 4.22Å; I69-W73 HydrophobicContact CG2-CG 4.26Å; I69-W73 WeakPolarHBondContact O-CB 3.32Å; I69-W73 PolarHBondContact O-N 3.27Å; W73-I83 HydrophobicContact CE3-CD1 3.74Å; W73-I83 HydrophobicContact CZ3-CD1 4.27Å; W73-R88 HydrophobicContact CH2-CB 3.87Å; W73-R88 HydrophobicContact CH2-CG 3.92Å; W73-R88 HydrophobicContact CZ2-CB 4.17Å; W73-R88 HydrophobicContact CZ2-CG 4.23Å; W73-R88 HydrophobicContact CZ3-CB 4.49Å; W73-R88 HydrophobicContact CZ3-CG 4.09Å; W73-R88 VanDerWaalsContact O-CZ 3.32Å; W73-R88 PolarHBondContact O-NH1 3.17Å; W73-R88 PolarHBondContact O-NH2 3.2Å; W73-L91 HydrophobicContact CH2-CB 4.15Å; W73-L91 HydrophobicContact CH2-CD1 3.97Å; W73-L91 HydrophobicContact CZ3-CD1 3.53Å; W73-R92 HydrophobicContact CZ2-CG 4.42Å; W73-I117 HydrophobicContact CD2-CD1 4.36Å; W73-I117 HydrophobicContact CD2-CG1 3.82Å; W73-I117 HydrophobicContact CE3-CD1 4.36Å; W73-I117 HydrophobicContact CE3-CG1 4.24Å; W73-I117 HydrophobicContact CG-CG1 4.27Å; W73-I117 HydrophobicContact CH2-CD1 3.73Å; W73-I117 HydrophobicContact CH2-CG1 4.2Å; W73-I117 HydrophobicContact CZ2-CB 4.3Å; W73-I117 HydrophobicContact CZ2-CD1 3.78Å; W73-I117 HydrophobicContact CZ2-CG1 3.82Å; W73-I117 HydrophobicContact CZ2-CG2 3.6Å; W73-I117 HydrophobicContact CZ3-CD1 4.07Å; W73-I117 HydrophobicContact CZ3-CG1 4.42Å; W73-D121 WeakPolarHBondContact CZ2-OD2 3.42Å; W73-D121 PolarHBondContact NE1-OD2 2.81Å |
| 74 | Q | 88.6 | Confident | 87.1 | Confident | 112 Ų | 112 | 70.6 Ų | 70.6 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -75.7 | 133.8 | 171.3 | -173.3 | 177 | 2.5 | 0 | 0 | 109.3 | E120 | Q74-E120 HydrophobicContact CB-CG 4.29Š|
| 75 | V | 84 | Confident | 86.8 | Confident | 62 Ų | 62 | 73 Ų | 73 | 38% | 0.376 | 39% | 0.388 | S | S | . | . | trans | -116.3 | 109.3 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 107.3 | E79 D81 | V75-E79 WeakPolarHBondContact CG1-O 3.45Å; V75-D81 HydrophobicContact CG1-CB 4.35Å; V75-D81 HydrophobicContact CG2-CB 4.01Å | ||
| 76 | D | 76.8 | Confident | 86.6 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | trans | -67 | 154.5 | 173.2 | -71.7 | -29 | 0 | 0 | 0 | 110.3 | D78 E79 | D76-D78 PolarHBondContact O-N 3.48Å; D76-E79 HydrophobicContact CB-CG 4.34Å; D76-E79 PolarHBondContact O-N 3.15Å | ||
| 77 | S | 71 | Confident | 86.6 | Confident | 120 Ų | 120 | 74.8 Ų | 74.8 | 84% | 0.839 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -21.3 | -171.7 | 60 | 0 | 0 | 0 | 0 | 114.8 | ||
| 78 | D | 72.2 | Confident | 86.5 | Confident | 154 Ų | 154 | 72.5 Ų | 72.5 | 82% | 0.824 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 0.8 | -172.8 | -59.8 | -3.5 | 0 | 0 | 0 | 112.8 | D76 | D76-D78 PolarHBondContact O-N 3.48Š|
| 79 | E | 75.9 | Confident | 86.5 | Confident | 105 Ų | 105 | 75.9 Ų | 75.9 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -104.3 | 147.2 | -178.3 | -67 | -155.4 | 168 | 0 | 0 | 113.4 | V75 D76 | V75-E79 WeakPolarHBondContact CG1-O 3.45Å; D76-E79 HydrophobicContact CB-CG 4.34Å; D76-E79 PolarHBondContact O-N 3.15Å |
| 80 | T | 78.6 | Confident | 86.4 | Confident | 125 Ų | 125 | 76.4 Ų | 76.4 | 77% | 0.767 | 41% | 0.413 | S | S | * | . | trans | -75.9 | 125.6 | 173.9 | -47.1 | 0 | 0 | 0 | 0 | 110.2 | R82 | T80-R82 WeakPolarHBondContact O-CG 3.24Å; T80-R82 PolarHBondContact O-N 3.29Å; T80-R82 VanDerWaalsContact O-N 3.17Å | ||
| 81 | D | 84 | Confident | 86.5 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | trans | -59.6 | 118.6 | 174 | -168.9 | -1.3 | 0 | 0 | 0 | 110.6 | V75 I83 R88 | V75-D81 HydrophobicContact CG1-CB 4.35Å; V75-D81 HydrophobicContact CG2-CB 4.01Å; D81-I83 PolarHBondContact OD1-N 3.38Å; D81-I83 VanDerWaalsContact OD1-N 3.1Å; D81-R88 IonicContact OD1-CZ 3.28Å; D81-R88 IonicContact OD1-NE 2.65Å; D81-R88 IonicContact OD1-NH2 2.58Å; D81-R88 PolarHBondContact OD1-NH2 2.93Å; D81-R88 IonicContact OD2-CZ 2.98Å; D81-R88 IonicContact OD2-NE 3.73Å; D81-R88 PolarHBondContact OD2-NE 3.38Å; D81-R88 IonicContact OD2-NH2 3.27Å | ||
| 82 | R | 84.8 | Confident | 86.7 | Confident | 99 Ų | 99 | 65.9 Ų | 65.9 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | trans | -90.8 | -9.1 | -176.2 | -55.8 | -171.7 | -169.9 | -175.9 | 3.8 | 112.9 | Y72 T80 | Y72-R82 PolarHBondContact OH-NH1 2.74Å; T80-R82 WeakPolarHBondContact O-CG 3.24Å; T80-R82 PolarHBondContact O-N 3.29Å; T80-R82 VanDerWaalsContact O-N 3.17Å | ||
| 83 | I | 89.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -112.6 | 121.8 | -177.1 | -48.4 | -178.7 | 0 | 0 | 0 | 108.8 | F68 Y72 W73 D81 D87 R88 | F68-I83 HydrophobicContact CD1-CD1 4.4Å; F68-I83 HydrophobicContact CE1-CD1 3.66Å; F68-I83 HydrophobicContact CE1-CG1 3.88Å; F68-I83 HydrophobicContact CZ-CD1 4.07Å; F68-I83 HydrophobicContact CZ-CG1 3.81Å; Y72-I83 WeakPolarHBondContact O-CD1 3.36Å; W73-I83 HydrophobicContact CE3-CD1 3.74Å; W73-I83 HydrophobicContact CZ3-CD1 4.27Å; D81-I83 PolarHBondContact OD1-N 3.38Å; D81-I83 VanDerWaalsContact OD1-N 3.1Å; I83-D87 HydrophobicContact CG2-CB 4.13Å; I83-R88 HydrophobicContact CB-CG 4.14Å; I83-R88 HydrophobicContact CG2-CG 3.65Å |
| 84 | Q | 89.2 | Confident | 86.8 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | trans | -61.3 | 142.4 | 178.1 | -64.8 | -167.9 | -14.4 | 0 | 0 | 111.5 | S86 D87 R88 | Q84-S86 PolarHBondContact O-N 3.27Å; Q84-D87 HydrophobicContact CB-CB 4.47Å; Q84-D87 WeakPolarHBondContact O-CB 3.1Å; Q84-D87 PolarHBondContact O-N 2.6Å; Q84-R88 PolarHBondContact O-N 2.9Å | ||
| 85 | A | 88.9 | Confident | 86.9 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.7 | -35 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R88 Q89 | A85-R88 PolarHBondContact O-N 2.97Å; A85-Q89 PolarHBondContact O-N 2.91Å; A85-Q89 VanDerWaalsContact O-N 3.08Å |
| 86 | S | 92.3 | Very high | 87.2 | Confident | 76 Ų | 76 | 64.4 Ų | 64.4 | 53% | 0.531 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 174.4 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | Q84 G90 | Q84-S86 PolarHBondContact O-N 3.27Å; S86-G90 PolarHBondContact O-N 3.15Å |
| 87 | D | 93.4 | Very high | 87.7 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.048 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72 | -40.4 | 178.6 | -69.9 | -19.6 | 0 | 0 | 0 | 110.8 | S39 I83 Q84 Q89 G90 L91 | S39-D87 WeakPolarHBondContact CA-OD1 3.41Å; S39-D87 WeakPolarHBondContact CA-OD2 3.39Å; S39-D87 PolarHBondContact N-OD1 2.83Å; S39-D87 PolarHBondContact N-OD2 3.38Å; S39-D87 PolarHBondContact OG-OD1 2.93Å; I83-D87 HydrophobicContact CG2-CB 4.13Å; Q84-D87 HydrophobicContact CB-CB 4.47Å; Q84-D87 WeakPolarHBondContact O-CB 3.1Å; Q84-D87 PolarHBondContact O-N 2.6Å; D87-Q89 PolarHBondContact O-N 2.81Å; D87-G90 PolarHBondContact O-N 3.03Å; D87-L91 PolarHBondContact O-N 3.28Å |
| 88 | R | 93.4 | Very high | 88.7 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | 173.2 | -69.4 | -178.5 | 177.2 | -94.8 | 1.2 | 111.4 | Y72 W73 D81 I83 Q84 A85 L91 R92 | Y72-R88 PolarHBondContact O-NH2 3.03Å; W73-R88 HydrophobicContact CH2-CB 3.87Å; W73-R88 HydrophobicContact CH2-CG 3.92Å; W73-R88 HydrophobicContact CZ2-CB 4.17Å; W73-R88 HydrophobicContact CZ2-CG 4.23Å; W73-R88 HydrophobicContact CZ3-CB 4.49Å; W73-R88 HydrophobicContact CZ3-CG 4.09Å; W73-R88 VanDerWaalsContact O-CZ 3.32Å; W73-R88 PolarHBondContact O-NH1 3.17Å; W73-R88 PolarHBondContact O-NH2 3.2Å; D81-R88 IonicContact OD1-CZ 3.28Å; D81-R88 IonicContact OD1-NE 2.65Å; D81-R88 IonicContact OD1-NH2 2.58Å; D81-R88 PolarHBondContact OD1-NH2 2.93Å; D81-R88 IonicContact OD2-CZ 2.98Å; D81-R88 IonicContact OD2-NE 3.73Å; D81-R88 PolarHBondContact OD2-NE 3.38Å; D81-R88 IonicContact OD2-NH2 3.27Å; I83-R88 HydrophobicContact CB-CG 4.14Å; I83-R88 HydrophobicContact CG2-CG 3.65Å; Q84-R88 PolarHBondContact O-N 2.9Å; A85-R88 PolarHBondContact O-N 2.97Å; R88-L91 PolarHBondContact O-N 3.45Å; R88-R92 PolarHBondContact O-N 3.09Å |
| 89 | Q | 93 | Very high | 89.5 | Confident | 81 Ų | 81 | 48.1 Ų | 48.1 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 177.2 | -170.6 | 60.7 | 32.9 | 0 | 0 | 112.1 | A85 D87 L91 R92 N93 | A85-Q89 PolarHBondContact O-N 2.91Å; A85-Q89 VanDerWaalsContact O-N 3.08Å; D87-Q89 PolarHBondContact O-N 2.81Å; Q89-L91 VanDerWaalsContact C-N 3.34Å; Q89-L91 PolarHBondContact O-N 3.14Å; Q89-R92 PolarHBondContact O-N 3.3Å; Q89-N93 PolarHBondContact NE2-OD1 2.84Å; Q89-N93 WeakPolarHBondContact O-CB 3.27Å; Q89-N93 VanDerWaalsContact O-CG 3.23Å; Q89-N93 PolarHBondContact O-N 3.39Å; Q89-N93 PolarHBondContact O-OD1 3.03Å |
| 90 | G | 93.3 | Very high | 90 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S86 D87 Q94 | S86-G90 PolarHBondContact O-N 3.15Å; D87-G90 PolarHBondContact O-N 3.03Å; G90-Q94 WeakPolarHBondContact O-CB 3.48Å; G90-Q94 WeakPolarHBondContact O-CG 3.43Å; G90-Q94 PolarHBondContact O-N 3.47Å; G90-Q94 PolarHBondContact O-NE2 3.24Å |
| 91 | L | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -51.7 | 174.3 | -83.8 | 174.3 | 0 | 0 | 0 | 111.2 | C41 L42 L45 L65 I69 W73 D87 R88 Q89 N93 Q94 L95 | C41-L91 HydrophobicContact CB-CD1 3.74Å; C41-L91 HydrophobicContact CB-CD2 4.46Å; C41-L91 HydrophobicContact CB-CG 4.35Å; C41-L91 WeakPolarHBondContact SG-CD1 3.3Å; L42-L91 HydrophobicContact CD2-CD2 4.26Å; L42-L91 HydrophobicContact CD2-CG 4.09Å; L45-L91 HydrophobicContact CD2-CD2 4.24Å; L65-L91 HydrophobicContact CD1-CD2 4.22Å; I69-L91 HydrophobicContact CD1-CD1 4.47Å; W73-L91 HydrophobicContact CH2-CB 4.15Å; W73-L91 HydrophobicContact CH2-CD1 3.97Å; W73-L91 HydrophobicContact CZ3-CD1 3.53Å; D87-L91 PolarHBondContact O-N 3.28Å; R88-L91 PolarHBondContact O-N 3.45Å; Q89-L91 VanDerWaalsContact C-N 3.34Å; Q89-L91 PolarHBondContact O-N 3.14Å; L91-N93 PolarHBondContact O-N 3.36Å; L91-N93 VanDerWaalsContact O-N 3.16Å; L91-Q94 PolarHBondContact O-N 2.91Å; L91-L95 WeakPolarHBondContact O-CB 3.25Å; L91-L95 PolarHBondContact O-N 2.86Å |
| 92 | R | 94.1 | Very high | 90.6 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.8 | -37 | 178.4 | -76.4 | -170.8 | -65.1 | -101.3 | -0.8 | 113 | W73 R88 Q89 I117 D121 W126 | W73-R92 HydrophobicContact CZ2-CG 4.42Å; R88-R92 PolarHBondContact O-N 3.09Å; Q89-R92 PolarHBondContact O-N 3.3Å; R92-I117 HydrophobicContact CG-CG2 4.24Å; R92-D121 IonicContact CZ-OD2 3.93Å; R92-D121 IonicContact NH1-OD2 3.62Å; R92-D121 PolarHBondContact NH1-OD2 2.74Å; R92-W126 HydrophobicContact CB-CD2 4.25Å; R92-W126 HydrophobicContact CB-CG 4.39Å; R92-W126 HydrophobicContact CB-CZ2 4.2Å; R92-W126 HydrophobicContact CG-CD2 3.82Å; R92-W126 HydrophobicContact CG-CE3 4.26Å; R92-W126 HydrophobicContact CG-CG 4.05Å; R92-W126 HydrophobicContact CG-CZ2 4.3Å; R92-W126 VanDerWaalsContact O-CZ2 3.31Å; R92-W126 WeakPolarHBondContact O-CZ2 3.34Å; R92-W126 PolarHBondContact O-NE1 3.08Å |
| 93 | N | 92 | Very high | 90.5 | Very high | 100 Ų | 100 | 37.5 Ų | 37.5 | 54% | 0.535 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -76.8 | -23.3 | 179.6 | -69.7 | -7.3 | 0 | 0 | 0 | 114.5 | Q89 L91 | Q89-N93 PolarHBondContact NE2-OD1 2.84Å; Q89-N93 WeakPolarHBondContact O-CB 3.27Å; Q89-N93 VanDerWaalsContact O-CG 3.23Å; Q89-N93 PolarHBondContact O-N 3.39Å; Q89-N93 PolarHBondContact O-OD1 3.03Å; L91-N93 PolarHBondContact O-N 3.36Å; L91-N93 VanDerWaalsContact O-N 3.16Å |
| 94 | Q | 93.2 | Very high | 90.2 | Very high | 80 Ų | 80 | 39.8 Ų | 39.8 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -111.8 | -23.6 | -171.5 | -69.8 | 179.4 | 69.5 | 0 | 0 | 113.6 | L45 G90 L91 I96 G97 A98 | L45-Q94 HydrophobicContact CD2-CB 3.67Å; G90-Q94 WeakPolarHBondContact O-CB 3.48Å; G90-Q94 WeakPolarHBondContact O-CG 3.43Å; G90-Q94 PolarHBondContact O-N 3.47Å; G90-Q94 PolarHBondContact O-NE2 3.24Å; L91-Q94 PolarHBondContact O-N 2.91Å; Q94-I96 PolarHBondContact O-N 3.33Å; Q94-G97 PolarHBondContact O-N 3.48Å; Q94-A98 WeakPolarHBondContact O-CB 3.32Å; Q94-A98 PolarHBondContact O-N 2.89Å |
| 95 | L | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | -166.5 | -164.6 | 63.1 | 0 | 0 | 0 | 113.2 | L45 L91 A98 M99 L110 I114 I117 | L45-L95 HydrophobicContact CD1-CD1 3.86Å; L91-L95 WeakPolarHBondContact O-CB 3.25Å; L91-L95 PolarHBondContact O-N 2.86Å; L95-A98 PolarHBondContact O-N 3.01Å; L95-M99 VanDerWaalsContact O-CB 3.24Å; L95-M99 WeakPolarHBondContact O-CB 3.45Å; L95-M99 PolarHBondContact O-N 3.35Å; L95-L110 HydrophobicContact CD1-CD2 3.87Å; L95-I114 HydrophobicContact CB-CG1 4.45Å; L95-I114 HydrophobicContact CD2-CB 4.32Å; L95-I114 HydrophobicContact CD2-CD1 4.5Å; L95-I114 HydrophobicContact CD2-CG1 3.39Å; L95-I114 HydrophobicContact CG-CD1 4.21Å; L95-I114 HydrophobicContact CG-CG1 3.59Å; L95-I117 HydrophobicContact CD2-CD1 3.72Å |
| 96 | I | 89.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.9 | -49.7 | 177.2 | -58 | 177.7 | 0 | 0 | 0 | 110.1 | Q94 A98 M99 L100 W126 L129 E132 L133 | Q94-I96 PolarHBondContact O-N 3.33Å; I96-A98 VanDerWaalsContact C-N 3.29Å; I96-A98 PolarHBondContact O-N 3.25Å; I96-M99 PolarHBondContact O-N 3.44Å; I96-L100 HydrophobicContact CG2-CD1 4.1Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 3.48Å; I96-W126 HydrophobicContact CD1-CZ2 4.29Å; I96-W126 HydrophobicContact CG1-CZ2 4.3Å; I96-L129 HydrophobicContact CD1-CD1 3.53Å; I96-L129 HydrophobicContact CG1-CD1 4.25Å; I96-E132 HydrophobicContact CD1-CB 4.06Å; I96-E132 HydrophobicContact CD1-CG 4.1Å; I96-E132 HydrophobicContact CG2-CG 4.38Å; I96-L133 HydrophobicContact CG2-CD2 4.01Å |
| 97 | G | 88.2 | Confident | 90.1 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 22% | 0.216 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q94 L100 S101 | Q94-G97 PolarHBondContact O-N 3.48Å; G97-L100 PolarHBondContact O-N 3.47Å; G97-S101 WeakPolarHBondContact O-CB 3.17Å; G97-S101 PolarHBondContact O-N 2.85Å; G97-S101 VanDerWaalsContact O-N 3.08Å |
| 98 | A | 91.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L45 Q49 Q94 L95 I96 L100 S101 V102 L110 | L45-A98 HydrophobicContact CD1-CB 3.66Å; L45-A98 HydrophobicContact CD2-CB 4.27Å; L45-A98 HydrophobicContact CG-CB 4.11Å; Q49-A98 VanDerWaalsContact CD-CB 3.47Å; Q49-A98 HydrophobicContact CG-CB 3.96Å; Q49-A98 VanDerWaalsContact NE2-CA 3.26Å; Q49-A98 VanDerWaalsContact NE2-CB 3.35Å; Q94-A98 WeakPolarHBondContact O-CB 3.32Å; Q94-A98 PolarHBondContact O-N 2.89Å; L95-A98 PolarHBondContact O-N 3.01Å; I96-A98 VanDerWaalsContact C-N 3.29Å; I96-A98 PolarHBondContact O-N 3.25Å; A98-L100 VanDerWaalsContact C-N 3.3Å; A98-L100 PolarHBondContact O-N 3.27Å; A98-S101 WeakPolarHBondContact CA-OG 3.31Å; A98-S101 PolarHBondContact O-N 2.94Å; A98-S101 VanDerWaalsContact O-N 3.1Å; A98-S101 PolarHBondContact O-OG 3.21Å; A98-V102 WeakPolarHBondContact O-CG2 3.38Å; A98-V102 PolarHBondContact O-N 3.42Å; A98-L110 HydrophobicContact CB-CD1 4.43Å |
| 99 | M | 90 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -34.9 | 178.5 | -168.6 | -119.3 | 56.4 | 0 | 0 | 112.8 | L95 I96 Q107 L110 S111 I114 T153 | L95-M99 VanDerWaalsContact O-CB 3.24Å; L95-M99 WeakPolarHBondContact O-CB 3.45Å; L95-M99 PolarHBondContact O-N 3.35Å; I96-M99 PolarHBondContact O-N 3.44Å; M99-Q107 HydrophobicContact CE-CG 4.35Å; M99-Q107 HydrophobicContact CG-CG 3.96Å; M99-Q107 PolarHBondContact O-NE2 2.94Å; M99-Q107 HydrophobicContact SD-CG 4.1Å; M99-L110 HydrophobicContact CB-CB 3.98Å; M99-L110 HydrophobicContact CB-CD1 4.04Å; M99-L110 HydrophobicContact CG-CB 3.75Å; M99-L110 HydrophobicContact CG-CD1 4.43Å; M99-S111 PolarHBondContact SD-OG 3.47Å; M99-I114 HydrophobicContact CB-CD1 4.07Å; M99-I114 HydrophobicContact CG-CD1 4.16Å; M99-I114 HydrophobicContact SD-CD1 4.19Å; M99-T153 VanDerWaalsContact CE-OG1 3.27Å; M99-T153 WeakPolarHBondContact CE-OG1 3.41Å; M99-T153 HydrophobicContact SD-CG2 4.02Å; M99-T153 PolarHBondContact SD-OG1 3.31Å |
| 100 | L | 86 | Confident | 89.8 | Confident | 21 Ų | 21 | 32.4 Ų | 32.4 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.9 | -20.1 | 175.1 | -66.3 | 173.6 | 0 | 0 | 0 | 113.3 | I96 G97 A98 V102 R136 V150 | I96-L100 HydrophobicContact CG2-CD1 4.1Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 3.48Å; G97-L100 PolarHBondContact O-N 3.47Å; A98-L100 VanDerWaalsContact C-N 3.3Å; A98-L100 PolarHBondContact O-N 3.27Å; L100-V102 VanDerWaalsContact C-N 3.35Å; L100-R136 HydrophobicContact CD1-CB 4.01Å; L100-R136 HydrophobicContact CD1-CG 3.72Å; L100-V150 HydrophobicContact CD1-CG2 4.15Å; L100-V150 HydrophobicContact CD2-CG2 3.62Å |
| 101 | S | 87.2 | Confident | 89.6 | Confident | 73 Ų | 73 | 31.9 Ų | 31.9 | 51% | 0.51 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.1 | 178 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | Q49 G97 A98 | Q49-S101 PolarHBondContact NE2-OG 3.42Å; G97-S101 WeakPolarHBondContact O-CB 3.17Å; G97-S101 PolarHBondContact O-N 2.85Å; G97-S101 VanDerWaalsContact O-N 3.08Å; A98-S101 WeakPolarHBondContact CA-OG 3.31Å; A98-S101 PolarHBondContact O-N 2.94Å; A98-S101 VanDerWaalsContact O-N 3.1Å; A98-S101 PolarHBondContact O-OG 3.21Å |
| 102 | V | 87.6 | Confident | 89.4 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | trans | -125.1 | 163.1 | -176.9 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | A98 L100 I106 Q107 L110 | A98-V102 WeakPolarHBondContact O-CG2 3.38Å; A98-V102 PolarHBondContact O-N 3.42Å; L100-V102 VanDerWaalsContact C-N 3.35Å; V102-I106 HydrophobicContact CB-CB 4.26Å; V102-I106 HydrophobicContact CB-CG2 4.05Å; V102-I106 HydrophobicContact CG1-CG2 4.21Å; V102-I106 HydrophobicContact CG2-CB 4.13Å; V102-I106 HydrophobicContact CG2-CG2 3.76Å; V102-Q107 HydrophobicContact CG2-CB 4.19Å; V102-Q107 PolarHBondContact O-NE2 3.3Å; V102-L110 HydrophobicContact CG2-CD1 3.84Å | ||
| 103 | A | 82.1 | Confident | 89.4 | Confident | 77 Ų | 77 | 34.5 Ų | 34.5 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | trans | -130.9 | 169 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 104 | G | 83.6 | Confident | 89.5 | Confident | 52 Ų | 52 | 29.7 Ų | 29.7 | 54% | 0.536 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -138.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | I106 Q107 S108 | G104-I106 PolarHBondContact O-N 3.4Å; G104-I106 VanDerWaalsContact O-N 3.16Å; G104-Q107 WeakPolarHBondContact O-CB 3.39Å; G104-Q107 PolarHBondContact O-N 2.91Å; G104-Q107 VanDerWaalsContact O-N 3.08Å; G104-S108 PolarHBondContact O-N 2.94Å |
| 105 | N | 87 | Confident | 89.4 | Confident | 110 Ų | 110 | 26.6 Ų | 26.6 | 59% | 0.588 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -59 | -30.6 | -173.9 | -70.6 | -8.6 | 0 | 0 | 0 | 114.1 | S108 Q109 | N105-S108 PolarHBondContact O-OG 3.43Å; N105-Q109 WeakPolarHBondContact O-CG 3.32Å; N105-Q109 PolarHBondContact O-N 3.32Å; N105-Q109 VanDerWaalsContact O-N 3.13Å |
| 106 | I | 91.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.1 | -43.4 | 178.5 | -56.2 | 176.3 | 0 | 0 | 0 | 109.7 | L48 R58 I59 A62 V102 G104 S108 Q109 L110 | L48-I106 HydrophobicContact CB-CG2 4.48Å; L48-I106 HydrophobicContact CD1-CG2 4.02Å; R58-I106 HydrophobicContact CB-CD1 3.74Å; I59-I106 HydrophobicContact CG1-CD1 4.47Å; I59-I106 HydrophobicContact CG1-CG1 3.92Å; A62-I106 HydrophobicContact CB-CG2 4.09Å; V102-I106 HydrophobicContact CB-CB 4.26Å; V102-I106 HydrophobicContact CB-CG2 4.05Å; V102-I106 HydrophobicContact CG1-CG2 4.21Å; V102-I106 HydrophobicContact CG2-CB 4.13Å; V102-I106 HydrophobicContact CG2-CG2 3.76Å; G104-I106 PolarHBondContact O-N 3.4Å; G104-I106 VanDerWaalsContact O-N 3.16Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 2.79Å; I106-Q109 PolarHBondContact O-N 2.86Å; I106-L110 HydrophobicContact CG2-CD1 4.35Å; I106-L110 WeakPolarHBondContact O-CG 3.41Å; I106-L110 PolarHBondContact O-N 3.44Å |
| 107 | Q | 89.3 | Confident | 89.7 | Confident | 22 Ų | 22 | 28.5 Ų | 28.5 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.6 | -175.7 | 175.8 | 69.5 | 0 | 0 | 111.7 | M99 V102 G104 L110 S111 | M99-Q107 HydrophobicContact CE-CG 4.35Å; M99-Q107 HydrophobicContact CG-CG 3.96Å; M99-Q107 PolarHBondContact O-NE2 2.94Å; M99-Q107 HydrophobicContact SD-CG 4.1Å; V102-Q107 HydrophobicContact CG2-CB 4.19Å; V102-Q107 PolarHBondContact O-NE2 3.3Å; G104-Q107 WeakPolarHBondContact O-CB 3.39Å; G104-Q107 PolarHBondContact O-N 2.91Å; G104-Q107 VanDerWaalsContact O-N 3.08Å; Q107-L110 PolarHBondContact O-N 2.93Å; Q107-S111 WeakPolarHBondContact O-CB 3.4Å; Q107-S111 PolarHBondContact O-N 3.26Å; Q107-S111 PolarHBondContact O-OG 2.92Å |
| 108 | S | 87.8 | Confident | 89.9 | Confident | 27 Ų | 27 | 27.5 Ų | 27.5 | 19% | 0.189 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 177.2 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | G104 N105 I106 L110 S111 E112 | G104-S108 PolarHBondContact O-N 2.94Å; N105-S108 PolarHBondContact O-OG 3.43Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 2.79Å; S108-L110 VanDerWaalsContact C-N 3.34Å; S108-L110 PolarHBondContact O-N 3.5Å; S108-S111 PolarHBondContact O-N 3.08Å; S108-E112 PolarHBondContact O-N 3.13Å; S108-E112 VanDerWaalsContact O-N 3.12Å |
| 109 | Q | 92.3 | Very high | 89.9 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.4 | -64.4 | -50.1 | -53.6 | 0 | 0 | 112.1 | A62 I63 N105 I106 E112 A113 | A62-Q109 HydrophobicContact CB-CB 3.89Å; A62-Q109 HydrophobicContact CB-CG 4.25Å; I63-Q109 HydrophobicContact CG1-CG 4.06Å; N105-Q109 WeakPolarHBondContact O-CG 3.32Å; N105-Q109 PolarHBondContact O-N 3.32Å; N105-Q109 VanDerWaalsContact O-N 3.13Å; I106-Q109 PolarHBondContact O-N 2.86Å; Q109-E112 PolarHBondContact O-N 3.21Å; Q109-A113 PolarHBondContact O-N 3.05Å |
| 110 | L | 93.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.8 | -36.3 | 177.2 | -68.7 | -179.6 | 0 | 0 | 0 | 112.2 | L45 L48 L65 L95 A98 M99 V102 I106 Q107 S108 E112 A113 I114 | L45-L110 HydrophobicContact CD1-CD2 4.23Å; L48-L110 HydrophobicContact CD1-CD1 3.87Å; L48-L110 HydrophobicContact CD1-CD2 4.33Å; L48-L110 HydrophobicContact CD2-CD2 3.94Å; L65-L110 HydrophobicContact CD2-CD2 4.05Å; L95-L110 HydrophobicContact CD1-CD2 3.87Å; A98-L110 HydrophobicContact CB-CD1 4.43Å; M99-L110 HydrophobicContact CB-CB 3.98Å; M99-L110 HydrophobicContact CB-CD1 4.04Å; M99-L110 HydrophobicContact CG-CB 3.75Å; M99-L110 HydrophobicContact CG-CD1 4.43Å; V102-L110 HydrophobicContact CG2-CD1 3.84Å; I106-L110 HydrophobicContact CG2-CD1 4.35Å; I106-L110 WeakPolarHBondContact O-CG 3.41Å; I106-L110 PolarHBondContact O-N 3.44Å; Q107-L110 PolarHBondContact O-N 2.93Å; S108-L110 VanDerWaalsContact C-N 3.34Å; S108-L110 PolarHBondContact O-N 3.5Å; L110-E112 VanDerWaalsContact C-N 3.35Å; L110-E112 PolarHBondContact O-N 3.41Å; L110-A113 WeakPolarHBondContact O-CB 3.41Å; L110-A113 PolarHBondContact O-N 2.89Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.15Å; L110-I114 PolarHBondContact O-N 3.46Å |
| 111 | S | 89.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 176 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | M99 Q107 S108 I114 S115 | M99-S111 PolarHBondContact SD-OG 3.47Å; Q107-S111 WeakPolarHBondContact O-CB 3.4Å; Q107-S111 PolarHBondContact O-N 3.26Å; Q107-S111 PolarHBondContact O-OG 2.92Å; S108-S111 PolarHBondContact O-N 3.08Å; S111-I114 PolarHBondContact O-N 3.38Å; S111-S115 PolarHBondContact O-N 2.79Å |
| 112 | E | 90 | Very high | 90.5 | Very high | 76 Ų | 76 | 33.2 Ų | 33.2 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.5 | -35.7 | 174.1 | -70 | -64.4 | 150.2 | 0 | 0 | 112.1 | K66 S108 Q109 L110 S115 T116 K159 | K66-E112 HydrophobicContact CD-CB 4.01Å; K66-E112 HydrophobicContact CG-CB 4.47Å; S108-E112 PolarHBondContact O-N 3.13Å; S108-E112 VanDerWaalsContact O-N 3.12Å; Q109-E112 PolarHBondContact O-N 3.21Å; L110-E112 VanDerWaalsContact C-N 3.35Å; L110-E112 PolarHBondContact O-N 3.41Å; E112-S115 PolarHBondContact O-N 3.38Å; E112-T116 PolarHBondContact O-N 2.88Å; E112-T116 PolarHBondContact O-OG1 3.3Å; E112-K159 IonicContact OE1-NZ 3.96Å; E112-K159 PolarHBondContact OE1-NZ 3.01Å |
| 113 | A | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K66 I69 Q109 L110 S115 T116 I117 | K66-A113 HydrophobicContact CB-CB 4.37Å; K66-A113 HydrophobicContact CG-CB 4.39Å; I69-A113 HydrophobicContact CD1-CB 3.77Å; Q109-A113 PolarHBondContact O-N 3.05Å; L110-A113 WeakPolarHBondContact O-CB 3.41Å; L110-A113 PolarHBondContact O-N 2.89Å; A113-S115 VanDerWaalsContact C-N 3.31Å; A113-S115 PolarHBondContact O-N 3.27Å; A113-T116 PolarHBondContact O-N 3.04Å; A113-I117 WeakPolarHBondContact O-CG1 3.49Å; A113-I117 PolarHBondContact O-N 3.23Å; A113-I117 VanDerWaalsContact O-N 3.08Å |
| 114 | I | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 174.6 | -64.4 | 164.8 | 0 | 0 | 0 | 110 | L95 M99 L110 S111 T116 I117 W118 W126 L129 T153 L157 | L95-I114 HydrophobicContact CB-CG1 4.45Å; L95-I114 HydrophobicContact CD2-CB 4.32Å; L95-I114 HydrophobicContact CD2-CD1 4.5Å; L95-I114 HydrophobicContact CD2-CG1 3.39Å; L95-I114 HydrophobicContact CG-CD1 4.21Å; L95-I114 HydrophobicContact CG-CG1 3.59Å; M99-I114 HydrophobicContact CB-CD1 4.07Å; M99-I114 HydrophobicContact CG-CD1 4.16Å; M99-I114 HydrophobicContact SD-CD1 4.19Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.15Å; L110-I114 PolarHBondContact O-N 3.46Å; S111-I114 PolarHBondContact O-N 3.38Å; I114-T116 VanDerWaalsContact C-N 3.3Å; I114-T116 PolarHBondContact O-N 3.37Å; I114-I117 PolarHBondContact O-N 3.37Å; I114-W118 WeakPolarHBondContact O-CB 3.43Å; I114-W118 PolarHBondContact O-N 2.87Å; I114-W126 HydrophobicContact CG2-CH2 3.97Å; I114-W126 HydrophobicContact CG2-CZ3 4.09Å; I114-L129 HydrophobicContact CG2-CD1 4.25Å; I114-T153 HydrophobicContact CD1-CG2 3.88Å; I114-T153 HydrophobicContact CG2-CG2 4.32Å; I114-L157 HydrophobicContact CG2-CD1 4.45Å; I114-L157 HydrophobicContact CG2-CD2 4.02Å |
| 115 | S | 91.6 | Very high | 91.5 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 113.1 | S111 E112 A113 R119 | S111-S115 PolarHBondContact O-N 2.79Å; E112-S115 PolarHBondContact O-N 3.38Å; A113-S115 VanDerWaalsContact C-N 3.31Å; A113-S115 PolarHBondContact O-N 3.27Å; S115-R119 PolarHBondContact O-N 3Å |
| 116 | T | 92.3 | Very high | 91.8 | Very high | 40 Ų | 40 | 35.6 Ų | 35.6 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.5 | -46.3 | 176.3 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | I69 E112 A113 I114 R119 | I69-T116 HydrophobicContact CG2-CG2 3.89Å; E112-T116 PolarHBondContact O-N 2.88Å; E112-T116 PolarHBondContact O-OG1 3.3Å; A113-T116 PolarHBondContact O-N 3.04Å; I114-T116 VanDerWaalsContact C-N 3.3Å; I114-T116 PolarHBondContact O-N 3.37Å; T116-R119 PolarHBondContact O-N 3.17Å |
| 117 | I | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.2 | -63.9 | 178.3 | 0 | 0 | 0 | 110.5 | I69 W73 R92 L95 A113 I114 R119 E120 D121 W126 | I69-I117 HydrophobicContact CD1-CD1 4.02Å; I69-I117 HydrophobicContact CG2-CD1 4.27Å; I69-I117 HydrophobicContact CG2-CG1 3.63Å; W73-I117 HydrophobicContact CD2-CD1 4.36Å; W73-I117 HydrophobicContact CD2-CG1 3.82Å; W73-I117 HydrophobicContact CE3-CD1 4.36Å; W73-I117 HydrophobicContact CE3-CG1 4.24Å; W73-I117 HydrophobicContact CG-CG1 4.27Å; W73-I117 HydrophobicContact CH2-CD1 3.73Å; W73-I117 HydrophobicContact CH2-CG1 4.2Å; W73-I117 HydrophobicContact CZ2-CB 4.3Å; W73-I117 HydrophobicContact CZ2-CD1 3.78Å; W73-I117 HydrophobicContact CZ2-CG1 3.82Å; W73-I117 HydrophobicContact CZ2-CG2 3.6Å; W73-I117 HydrophobicContact CZ3-CD1 4.07Å; W73-I117 HydrophobicContact CZ3-CG1 4.42Å; R92-I117 HydrophobicContact CG-CG2 4.24Å; L95-I117 HydrophobicContact CD2-CD1 3.72Å; A113-I117 WeakPolarHBondContact O-CG1 3.49Å; A113-I117 PolarHBondContact O-N 3.23Å; A113-I117 VanDerWaalsContact O-N 3.08Å; I114-I117 PolarHBondContact O-N 3.37Å; I117-R119 VanDerWaalsContact C-N 3.25Å; I117-R119 PolarHBondContact O-N 3.28Å; I117-E120 PolarHBondContact O-N 3.04Å; I117-E120 VanDerWaalsContact O-N 3.11Å; I117-D121 HydrophobicContact CG2-CB 4.2Å; I117-D121 WeakPolarHBondContact O-CB 3.39Å; I117-D121 PolarHBondContact O-N 3.17Å; I117-W126 HydrophobicContact CB-CE3 4.35Å; I117-W126 HydrophobicContact CB-CZ3 3.84Å; I117-W126 HydrophobicContact CG2-CD2 4.48Å; I117-W126 HydrophobicContact CG2-CE3 3.49Å; I117-W126 VanDerWaalsContact CG2-CE3 3.49Å; I117-W126 HydrophobicContact CG2-CH2 4.33Å; I117-W126 HydrophobicContact CG2-CZ3 3.4Å |
| 118 | W | 93.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.7 | -40.5 | 179.5 | 172.1 | 65 | 0 | 0 | 0 | 112.3 | I114 E120 F122 L129 L157 R160 Y161 E173 | I114-W118 WeakPolarHBondContact O-CB 3.43Å; I114-W118 PolarHBondContact O-N 2.87Å; W118-E120 VanDerWaalsContact C-N 3.25Å; W118-E120 PolarHBondContact O-N 3.26Å; W118-F122 AromaticContact CD1-CD1 3.63Å; W118-F122 AromaticContact CD1-CG 3.37Å; W118-F122 HydrophobicContact CG-CB 4.12Å; W118-F122 AromaticContact NE1-CD1 3.08Å; W118-F122 AromaticContact NE1-CE1 3.71Å; W118-F122 AromaticContact NE1-CG 3.36Å; W118-F122 WeakPolarHBondContact O-CB 3.26Å; W118-F122 PolarHBondContact O-N 2.72Å; W118-L129 HydrophobicContact CB-CD2 4.19Å; W118-L129 HydrophobicContact CG-CD2 3.98Å; W118-L157 HydrophobicContact CB-CD2 3.92Å; W118-L157 HydrophobicContact CD2-CB 4.28Å; W118-L157 HydrophobicContact CD2-CD2 3.87Å; W118-L157 HydrophobicContact CE3-CB 4.1Å; W118-L157 HydrophobicContact CE3-CD2 3.75Å; W118-L157 HydrophobicContact CG-CD2 3.95Å; W118-L157 VanDerWaalsContact CH2-C 3.41Å; W118-L157 HydrophobicContact CH2-CB 3.93Å; W118-L157 WeakPolarHBondContact CH2-O 3.29Å; W118-L157 HydrophobicContact CZ2-CB 4.24Å; W118-L157 VanDerWaalsContact CZ3-C 3.45Å; W118-L157 HydrophobicContact CZ3-CB 3.89Å; W118-L157 HydrophobicContact CZ3-CD2 4.34Å; W118-L157 WeakPolarHBondContact CZ3-O 3.41Å; W118-R160 VanDerWaalsContact CE3-CZ 3.46Å; W118-R160 HydrophobicContact CH2-CG 3.49Å; W118-R160 VanDerWaalsContact CH2-CG 3.49Å; W118-R160 HydrophobicContact CZ3-CB 4.11Å; W118-R160 HydrophobicContact CZ3-CG 3.46Å; W118-R160 VanDerWaalsContact CZ3-CG 3.46Å; W118-Y161 AromaticContact CH2-CE1 3.91Å; W118-Y161 HydrophobicContact CH2-CE1 3.91Å; W118-Y161 HydrophobicContact CZ2-CE1 4.03Å; W118-Y161 AromaticContact CZ2-CZ 3.94Å; W118-E173 WeakPolarHBondContact CZ2-OE1 3.49Å |
| 119 | R | 89.7 | Confident | 92.2 | Very high | 143 Ų | 143 | 41.3 Ų | 41.3 | 54% | 0.54 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.5 | -37.2 | 177.4 | -173.1 | -179 | -63.8 | -141.4 | -4.7 | 113.8 | S115 T116 I117 | S115-R119 PolarHBondContact O-N 3Å; T116-R119 PolarHBondContact O-N 3.17Å; I117-R119 VanDerWaalsContact C-N 3.25Å; I117-R119 PolarHBondContact O-N 3.28Å |
| 120 | E | 90.1 | Very high | 92.2 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -96.4 | -27.4 | -173.6 | -62.5 | -56 | 129.7 | 0 | 0 | 113.8 | Q74 I117 W118 | Q74-E120 HydrophobicContact CB-CG 4.29Å; I117-E120 PolarHBondContact O-N 3.04Å; I117-E120 VanDerWaalsContact O-N 3.11Å; W118-E120 VanDerWaalsContact C-N 3.25Å; W118-E120 PolarHBondContact O-N 3.26Å |
| 121 | D | 93.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -114.9 | -18 | -167.5 | -75.6 | -4 | 0 | 0 | 0 | 114.2 | W73 R92 I117 E124 K125 W126 | W73-D121 WeakPolarHBondContact CZ2-OD2 3.42Å; W73-D121 PolarHBondContact NE1-OD2 2.81Å; R92-D121 IonicContact CZ-OD2 3.93Å; R92-D121 IonicContact NH1-OD2 3.62Å; R92-D121 PolarHBondContact NH1-OD2 2.74Å; I117-D121 HydrophobicContact CG2-CB 4.2Å; I117-D121 WeakPolarHBondContact O-CB 3.39Å; I117-D121 PolarHBondContact O-N 3.17Å; D121-E124 PolarHBondContact O-N 2.82Å; D121-K125 HydrophobicContact CB-CB 3.86Å; D121-K125 HydrophobicContact CB-CD 4.34Å; D121-K125 CarbonylContact O-C 3.6Å; D121-K125 VanDerWaalsContact O-CA 3.29Å; D121-K125 WeakPolarHBondContact O-CA 3.34Å; D121-K125 WeakPolarHBondContact O-CB 3.13Å; D121-K125 PolarHBondContact O-N 3.24Å; D121-K125 WeakPolarHBondContact OD1-CD 3.47Å; D121-K125 IonicContact OD1-NZ 3.86Å; D121-W126 HydrophobicContact CB-CB 4.16Å; D121-W126 PolarHBondContact O-N 3.38Å |
| 122 | F | 92.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 138.8 | 179.7 | -177 | -91.8 | 0 | 0 | 0 | 111.2 | W118 W126 L129 I130 E173 L176 V177 | W118-F122 AromaticContact CD1-CD1 3.63Å; W118-F122 AromaticContact CD1-CG 3.37Å; W118-F122 HydrophobicContact CG-CB 4.12Å; W118-F122 AromaticContact NE1-CD1 3.08Å; W118-F122 AromaticContact NE1-CE1 3.71Å; W118-F122 AromaticContact NE1-CG 3.36Å; W118-F122 WeakPolarHBondContact O-CB 3.26Å; W118-F122 PolarHBondContact O-N 2.72Å; F122-W126 WeakPolarHBondContact CD2-O 3.46Å; F122-L129 HydrophobicContact CD2-CB 4.07Å; F122-L129 HydrophobicContact CD2-CD2 4.07Å; F122-L129 HydrophobicContact CE2-CB 4.29Å; F122-L129 HydrophobicContact CG-CD2 4.44Å; F122-I130 HydrophobicContact CE2-CG1 3.81Å; F122-I130 HydrophobicContact CZ-CD1 4.47Å; F122-I130 HydrophobicContact CZ-CG1 3.65Å; F122-E173 HydrophobicContact CD1-CG 3.78Å; F122-E173 HydrophobicContact CE1-CG 3.56Å; F122-L176 HydrophobicContact CE1-CD2 4.25Å; F122-L176 HydrophobicContact CE2-CD2 4.2Å; F122-L176 HydrophobicContact CZ-CD2 3.49Å; F122-L176 VanDerWaalsContact CZ-CD2 3.49Å; F122-V177 HydrophobicContact CE1-CG2 3.67Å; F122-V177 HydrophobicContact CZ-CG2 3.8Å |
| 123 | P | 91.3 | Very high | 92.2 | Very high | 25 Ų | 25 | 40 Ų | 40 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88.3 | -14.9 | 4 | 32.6 | -35.1 | 0 | 0 | 0 | 115.9 | P127 L176 | P123-P127 WeakPolarHBondContact O-CA 3.36Å; P123-L176 HydrophobicContact CB-CD1 4.07Å |
| 124 | E | 90.8 | Very high | 92 | Very high | 140 Ų | 140 | 41.4 Ų | 41.4 | 65% | 0.654 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -43.2 | -163.8 | -64.4 | 76.6 | -165.7 | 0 | 0 | 114.6 | D121 | D121-E124 PolarHBondContact O-N 2.82Š|
| 125 | K | 91.2 | Very high | 91.7 | Very high | 126 Ų | 126 | 46.2 Ų | 46.2 | 55% | 0.548 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -16.5 | -176.3 | -58.8 | 168.7 | -171.9 | 156.7 | 0 | 112.9 | D121 P127 | D121-K125 HydrophobicContact CB-CB 3.86Å; D121-K125 HydrophobicContact CB-CD 4.34Å; D121-K125 CarbonylContact O-C 3.6Å; D121-K125 VanDerWaalsContact O-CA 3.29Å; D121-K125 WeakPolarHBondContact O-CA 3.34Å; D121-K125 WeakPolarHBondContact O-CB 3.13Å; D121-K125 PolarHBondContact O-N 3.24Å; D121-K125 WeakPolarHBondContact OD1-CD 3.47Å; D121-K125 IonicContact OD1-NZ 3.86Å; K125-P127 VanDerWaalsContact C-CD 3.46Å |
| 126 | W | 93.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 4% | 0.038 | 24% | 0.24 | C | C | . | . | trans | -131.9 | 54.4 | 179.1 | -157.8 | 8.2 | 0 | 0 | 0 | 114 | R92 I96 I114 I117 D121 F122 N128 L129 | R92-W126 HydrophobicContact CB-CD2 4.25Å; R92-W126 HydrophobicContact CB-CG 4.39Å; R92-W126 HydrophobicContact CB-CZ2 4.2Å; R92-W126 HydrophobicContact CG-CD2 3.82Å; R92-W126 HydrophobicContact CG-CE3 4.26Å; R92-W126 HydrophobicContact CG-CG 4.05Å; R92-W126 HydrophobicContact CG-CZ2 4.3Å; R92-W126 VanDerWaalsContact O-CZ2 3.31Å; R92-W126 WeakPolarHBondContact O-CZ2 3.34Å; R92-W126 PolarHBondContact O-NE1 3.08Å; I96-W126 HydrophobicContact CD1-CZ2 4.29Å; I96-W126 HydrophobicContact CG1-CZ2 4.3Å; I114-W126 HydrophobicContact CG2-CH2 3.97Å; I114-W126 HydrophobicContact CG2-CZ3 4.09Å; I117-W126 HydrophobicContact CB-CE3 4.35Å; I117-W126 HydrophobicContact CB-CZ3 3.84Å; I117-W126 HydrophobicContact CG2-CD2 4.48Å; I117-W126 HydrophobicContact CG2-CE3 3.49Å; I117-W126 VanDerWaalsContact CG2-CE3 3.49Å; I117-W126 HydrophobicContact CG2-CH2 4.33Å; I117-W126 HydrophobicContact CG2-CZ3 3.4Å; D121-W126 HydrophobicContact CB-CB 4.16Å; D121-W126 PolarHBondContact O-N 3.38Å; F122-W126 WeakPolarHBondContact CD2-O 3.46Å; W126-N128 PolarHBondContact O-N 2.86Å; W126-N128 VanDerWaalsContact O-N 3.12Å; W126-L129 HydrophobicContact CD2-CB 4.13Å; W126-L129 HydrophobicContact CD2-CD1 4.48Å; W126-L129 HydrophobicContact CE3-CD1 4.46Å; W126-L129 HydrophobicContact CE3-CD2 4.16Å; W126-L129 HydrophobicContact CG-CB 4.21Å; W126-L129 HydrophobicContact CH2-CD1 4.04Å; W126-L129 HydrophobicContact CZ2-CD1 4.01Å; W126-L129 HydrophobicContact CZ3-CD1 4.24Å; W126-L129 HydrophobicContact CZ3-CD2 4.38Å; W126-L129 PolarHBondContact O-N 2.98Å | ||
| 127 | P | 92.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 48.3 Ų | 48.3 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23 | -172.2 | 26.2 | -36.4 | 0 | 0 | 0 | 114.4 | P123 K125 | P123-P127 WeakPolarHBondContact O-CA 3.36Å; K125-P127 VanDerWaalsContact C-CD 3.46Å |
| 128 | N | 91.7 | Very high | 90 | Very high | 112 Ų | 112 | 52 Ų | 52 | 60% | 0.599 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.2 | -176.9 | -67.2 | -23.4 | 0 | 0 | 0 | 114.4 | W126 P131 E132 | W126-N128 PolarHBondContact O-N 2.86Å; W126-N128 VanDerWaalsContact O-N 3.12Å; N128-P131 WeakPolarHBondContact O-CD 3.29Å; N128-E132 WeakPolarHBondContact O-CB 3.38Å; N128-E132 PolarHBondContact O-N 3.26Å |
| 129 | L | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.9 | -55 | -179 | 173.8 | 60.9 | 0 | 0 | 0 | 112.7 | I96 I114 W118 F122 W126 E132 L133 L157 | I96-L129 HydrophobicContact CD1-CD1 3.53Å; I96-L129 HydrophobicContact CG1-CD1 4.25Å; I114-L129 HydrophobicContact CG2-CD1 4.25Å; W118-L129 HydrophobicContact CB-CD2 4.19Å; W118-L129 HydrophobicContact CG-CD2 3.98Å; F122-L129 HydrophobicContact CD2-CB 4.07Å; F122-L129 HydrophobicContact CD2-CD2 4.07Å; F122-L129 HydrophobicContact CE2-CB 4.29Å; F122-L129 HydrophobicContact CG-CD2 4.44Å; W126-L129 HydrophobicContact CD2-CB 4.13Å; W126-L129 HydrophobicContact CD2-CD1 4.48Å; W126-L129 HydrophobicContact CE3-CD1 4.46Å; W126-L129 HydrophobicContact CE3-CD2 4.16Å; W126-L129 HydrophobicContact CG-CB 4.21Å; W126-L129 HydrophobicContact CH2-CD1 4.04Å; W126-L129 HydrophobicContact CZ2-CD1 4.01Å; W126-L129 HydrophobicContact CZ3-CD1 4.24Å; W126-L129 HydrophobicContact CZ3-CD2 4.38Å; W126-L129 PolarHBondContact O-N 2.98Å; L129-E132 PolarHBondContact O-N 3.25Å; L129-L133 HydrophobicContact CD1-CD1 4.38Å; L129-L133 WeakPolarHBondContact O-CG 3.48Å; L129-L133 PolarHBondContact O-N 2.82Å; L129-L133 VanDerWaalsContact O-N 3.15Å; L129-L157 HydrophobicContact CD2-CD1 4.11Å |
| 130 | I | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70 | -45 | -179 | -54.3 | -58.4 | 0 | 0 | 0 | 111.7 | F122 E132 L133 V134 F158 V177 Q180 F181 | F122-I130 HydrophobicContact CE2-CG1 3.81Å; F122-I130 HydrophobicContact CZ-CD1 4.47Å; F122-I130 HydrophobicContact CZ-CG1 3.65Å; I130-E132 VanDerWaalsContact C-N 3.28Å; I130-E132 PolarHBondContact O-N 3.41Å; I130-L133 HydrophobicContact CD1-CD1 4.34Å; I130-L133 PolarHBondContact O-N 2.94Å; I130-L133 VanDerWaalsContact O-N 3.16Å; I130-V134 HydrophobicContact CG2-CG2 4.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.44Å; I130-V134 PolarHBondContact O-N 3.38Å; I130-F158 HydrophobicContact CD1-CE1 3.92Å; I130-F158 HydrophobicContact CD1-CZ 3.93Å; I130-V177 HydrophobicContact CD1-CG2 4.37Å; I130-V177 HydrophobicContact CG1-CG2 4.18Å; I130-Q180 HydrophobicContact CG2-CB 3.78Å; I130-F181 HydrophobicContact CG2-CB 4.06Å; I130-F181 HydrophobicContact CG2-CD2 4.06Å |
| 131 | P | 92.9 | Very high | 85.6 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.9 | -39.1 | 173.8 | -28.4 | 36.8 | 0 | 0 | 0 | 113.7 | N128 V134 Q135 Q180 | N128-P131 WeakPolarHBondContact O-CD 3.29Å; P131-V134 PolarHBondContact O-N 2.99Å; P131-Q135 VanDerWaalsContact O-CB 3.31Å; P131-Q135 WeakPolarHBondContact O-CB 3.43Å; P131-Q135 PolarHBondContact O-N 3.39Å; P131-Q180 VanDerWaalsContact CD-OE1 3.31Å |
| 132 | E | 90.4 | Very high | 84 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 176.1 | -172.8 | 172.7 | 174.7 | 0 | 0 | 111.3 | I96 N128 L129 I130 V134 Q135 R136 | I96-E132 HydrophobicContact CD1-CB 4.06Å; I96-E132 HydrophobicContact CD1-CG 4.1Å; I96-E132 HydrophobicContact CG2-CG 4.38Å; N128-E132 WeakPolarHBondContact O-CB 3.38Å; N128-E132 PolarHBondContact O-N 3.26Å; L129-E132 PolarHBondContact O-N 3.25Å; I130-E132 VanDerWaalsContact C-N 3.28Å; I130-E132 PolarHBondContact O-N 3.41Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 3.11Å; E132-Q135 PolarHBondContact O-N 2.89Å; E132-R136 HydrophobicContact CG-CG 4.38Å; E132-R136 WeakPolarHBondContact O-CG 3.45Å; E132-R136 PolarHBondContact O-N 3.21Å; E132-R136 IonicContact OE1-NE 2.85Å; E132-R136 IonicContact OE1-NH2 3.21Å; E132-R136 PolarHBondContact OE1-NH2 3.37Å |
| 133 | L | 90.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 175 | -68.4 | 172.7 | 0 | 0 | 0 | 111.9 | I96 L129 I130 R136 M137 V150 L157 | I96-L133 HydrophobicContact CG2-CD2 4.01Å; L129-L133 HydrophobicContact CD1-CD1 4.38Å; L129-L133 WeakPolarHBondContact O-CG 3.48Å; L129-L133 PolarHBondContact O-N 2.82Å; L129-L133 VanDerWaalsContact O-N 3.15Å; I130-L133 HydrophobicContact CD1-CD1 4.34Å; I130-L133 PolarHBondContact O-N 2.94Å; I130-L133 VanDerWaalsContact O-N 3.16Å; L133-R136 PolarHBondContact O-N 3.44Å; L133-M137 WeakPolarHBondContact O-CB 3.13Å; L133-M137 PolarHBondContact O-N 2.61Å; L133-V150 HydrophobicContact CB-CG1 4.21Å; L133-V150 HydrophobicContact CD2-CG1 4.18Å; L133-L157 HydrophobicContact CD1-CD1 4.23Å |
| 134 | V | 90.4 | Very high | 83.1 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | I130 P131 E132 R136 M137 A138 F181 P184 | I130-V134 HydrophobicContact CG2-CG2 4.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.44Å; I130-V134 PolarHBondContact O-N 3.38Å; P131-V134 PolarHBondContact O-N 2.99Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 3.11Å; V134-R136 VanDerWaalsContact C-N 3.34Å; V134-R136 PolarHBondContact O-N 3.28Å; V134-M137 HydrophobicContact CB-CE 4.45Å; V134-M137 HydrophobicContact CG2-CE 4.18Å; V134-M137 WeakPolarHBondContact O-CB 3.41Å; V134-M137 PolarHBondContact O-N 3.48Å; V134-A138 PolarHBondContact O-N 2.9Å; V134-F181 HydrophobicContact CG2-CD2 3.66Å; V134-F181 HydrophobicContact CG2-CE2 4.25Å; V134-P184 HydrophobicContact CG1-CB 3.98Å; V134-P184 HydrophobicContact CG1-CG 3.64Å; V134-P184 HydrophobicContact CG2-CB 4.49Å; V134-P184 HydrophobicContact CG2-CG 4.28Å |
| 135 | Q | 87.9 | Confident | 82.8 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 177 | -178.6 | -179.4 | 15.5 | 0 | 0 | 111.2 | P131 E132 M137 A138 Q139 | P131-Q135 VanDerWaalsContact O-CB 3.31Å; P131-Q135 WeakPolarHBondContact O-CB 3.43Å; P131-Q135 PolarHBondContact O-N 3.39Å; E132-Q135 PolarHBondContact O-N 2.89Å; Q135-M137 VanDerWaalsContact C-N 3.33Å; Q135-M137 PolarHBondContact O-N 3.28Å; Q135-A138 PolarHBondContact O-N 2.89Å; Q135-Q139 HydrophobicContact CG-CG 4.12Å; Q135-Q139 WeakPolarHBondContact O-CB 3.36Å; Q135-Q139 VanDerWaalsContact O-CG 3.28Å; Q135-Q139 WeakPolarHBondContact O-CG 3.25Å; Q135-Q139 PolarHBondContact O-N 3.34Å |
| 136 | R | 84.2 | Confident | 82.4 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.8 | -64.8 | -70.2 | -176.2 | 167.5 | 3.1 | 111.2 | L100 E132 L133 V134 A138 L140 V150 | L100-R136 HydrophobicContact CD1-CB 4.01Å; L100-R136 HydrophobicContact CD1-CG 3.72Å; E132-R136 HydrophobicContact CG-CG 4.38Å; E132-R136 WeakPolarHBondContact O-CG 3.45Å; E132-R136 PolarHBondContact O-N 3.21Å; E132-R136 IonicContact OE1-NE 2.85Å; E132-R136 IonicContact OE1-NH2 3.21Å; E132-R136 PolarHBondContact OE1-NH2 3.37Å; L133-R136 PolarHBondContact O-N 3.44Å; V134-R136 VanDerWaalsContact C-N 3.34Å; V134-R136 PolarHBondContact O-N 3.28Å; R136-A138 VanDerWaalsContact C-N 3.34Å; R136-A138 PolarHBondContact O-N 2.64Å; R136-L140 VanDerWaalsContact O-CD1 3.28Å; R136-L140 WeakPolarHBondContact O-CD1 3.25Å; R136-L140 WeakPolarHBondContact O-CG 3.22Å; R136-V150 HydrophobicContact CB-CG2 3.93Å |
| 137 | M | 82.9 | Confident | 82.2 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 175.6 | -177 | 169 | 44.2 | 0 | 0 | 112.6 | L133 V134 Q135 V150 F181 P184 L188 | L133-M137 WeakPolarHBondContact O-CB 3.13Å; L133-M137 PolarHBondContact O-N 2.61Å; V134-M137 HydrophobicContact CB-CE 4.45Å; V134-M137 HydrophobicContact CG2-CE 4.18Å; V134-M137 WeakPolarHBondContact O-CB 3.41Å; V134-M137 PolarHBondContact O-N 3.48Å; Q135-M137 VanDerWaalsContact C-N 3.33Å; Q135-M137 PolarHBondContact O-N 3.28Å; M137-V150 HydrophobicContact CB-CG1 4.29Å; M137-F181 HydrophobicContact CE-CD2 4.3Å; M137-F181 HydrophobicContact CE-CE2 3.75Å; M137-F181 HydrophobicContact CE-CZ 4.07Å; M137-F181 HydrophobicContact SD-CZ 4.48Å; M137-P184 HydrophobicContact CE-CB 3.58Å; M137-L188 HydrophobicContact CG-CD2 3.91Å; M137-L188 HydrophobicContact SD-CB 4.33Å; M137-L188 HydrophobicContact SD-CD2 3.47Å; M137-L188 WeakPolarHBondContact SD-CD2 3.33Å; M137-L188 HydrophobicContact SD-CG 4.48Å |
| 138 | A | 76.1 | Confident | 82 | Confident | 78 Ų | 78 | 55 Ų | 55 | 65% | 0.645 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -81.1 | -36.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V134 Q135 R136 L140 | V134-A138 PolarHBondContact O-N 2.9Å; Q135-A138 PolarHBondContact O-N 2.89Å; R136-A138 VanDerWaalsContact C-N 3.34Å; R136-A138 PolarHBondContact O-N 2.64Å; A138-L140 PolarHBondContact O-N 3.03Å |
| 139 | Q | 67.2 | Low | 81.7 | Confident | 122 Ų | 122 | 49.7 Ų | 49.7 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.7 | -17.1 | -174.3 | -78.7 | -179.4 | -19.5 | 0 | 0 | 114.2 | Q135 | Q135-Q139 HydrophobicContact CG-CG 4.12Å; Q135-Q139 WeakPolarHBondContact O-CB 3.36Å; Q135-Q139 VanDerWaalsContact O-CG 3.28Å; Q135-Q139 WeakPolarHBondContact O-CG 3.25Å; Q135-Q139 PolarHBondContact O-N 3.34Å |
| 140 | L | 56.8 | Low | 81.6 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 36.7 | -162.4 | -68.7 | 169.5 | 0 | 0 | 0 | 112.8 | R136 A138 A142 D143 M146 | R136-L140 VanDerWaalsContact O-CD1 3.28Å; R136-L140 WeakPolarHBondContact O-CD1 3.25Å; R136-L140 WeakPolarHBondContact O-CG 3.22Å; A138-L140 PolarHBondContact O-N 3.03Å; L140-A142 PolarHBondContact O-N 3.39Å; L140-D143 PolarHBondContact O-N 3.46Å; L140-M146 HydrophobicContact CD1-CB 3.61Å; L140-M146 HydrophobicContact CD1-CG 4.12Å; L140-M146 HydrophobicContact CD1-SD 3.37Å; L140-M146 WeakPolarHBondContact CD1-SD 3.44Å; L140-M146 HydrophobicContact CD2-SD 3.71Å; L140-M146 HydrophobicContact CG-SD 4.18Å |
| 141 | G | 56.3 | Low | 81.6 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 90% | 0.897 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 11.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 142 | A | 59 | Low | 81.5 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 70% | 0.702 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.6 | -18.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L140 L144 | L140-A142 PolarHBondContact O-N 3.39Å; A142-L144 PolarHBondContact O-N 3.44Å |
| 143 | D | 81.2 | Confident | 81.4 | Confident | 60 Ų | 60 | 49 Ų | 49 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | trans | -98 | 94.9 | -174.5 | -166.9 | -11 | 0 | 0 | 0 | 113 | L140 N145 M146 V147 | L140-D143 PolarHBondContact O-N 3.46Å; D143-N145 VanDerWaalsContact C-N 3.26Å; D143-N145 PolarHBondContact O-N 3.19Å; D143-N145 WeakPolarHBondContact OD1-CB 3.41Å; D143-N145 PolarHBondContact OD1-N 3.38Å; D143-M146 HydrophobicContact CB-CB 4.38Å; D143-M146 HydrophobicContact CB-CG 4.33Å; D143-M146 PolarHBondContact O-N 2.94Å; D143-M146 WeakPolarHBondContact OD2-CG 3.28Å; D143-V147 PolarHBondContact O-N 2.87Å | ||
| 144 | L | 84.9 | Confident | 81.5 | Confident | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -29.2 | -179.9 | -65.2 | 170.6 | 0 | 0 | 0 | 113.5 | A142 V147 H148 L192 L195 I202 R207 T210 V211 | A142-L144 PolarHBondContact O-N 3.44Å; L144-V147 PolarHBondContact O-N 3.44Å; L144-H148 WeakPolarHBondContact O-CB 3.23Å; L144-H148 PolarHBondContact O-N 3.35Å; L144-L192 HydrophobicContact CD2-CD2 4.37Å; L144-L195 HydrophobicContact CD2-CD1 4.35Å; L144-I202 HydrophobicContact CD1-CD1 4.1Å; L144-R207 HydrophobicContact CD1-CB 4.17Å; L144-T210 HydrophobicContact CB-CG2 3.67Å; L144-V211 HydrophobicContact CD1-CG2 3.72Å; L144-V211 HydrophobicContact CD2-CG2 3.85Å; L144-V211 HydrophobicContact CG-CG2 4.43Å |
| 145 | N | 83.5 | Confident | 81.7 | Confident | 107 Ų | 107 | 49 Ų | 49 | 57% | 0.572 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.7 | -37.7 | -179.6 | -67.5 | -51.5 | 0 | 0 | 0 | 111.4 | D143 H148 G149 | D143-N145 VanDerWaalsContact C-N 3.26Å; D143-N145 PolarHBondContact O-N 3.19Å; D143-N145 WeakPolarHBondContact OD1-CB 3.41Å; D143-N145 PolarHBondContact OD1-N 3.38Å; N145-H148 WeakPolarHBondContact O-CB 3.32Å; N145-H148 PolarHBondContact O-N 3.47Å; N145-G149 PolarHBondContact O-N 2.92Å |
| 146 | M | 83.6 | Confident | 81.9 | Confident | 66 Ų | 66 | 44.3 Ų | 44.3 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | 175.6 | -68.8 | -171 | 175 | 0 | 0 | 111.5 | L140 D143 H148 G149 V150 | L140-M146 HydrophobicContact CD1-CB 3.61Å; L140-M146 HydrophobicContact CD1-CG 4.12Å; L140-M146 HydrophobicContact CD1-SD 3.37Å; L140-M146 WeakPolarHBondContact CD1-SD 3.44Å; L140-M146 HydrophobicContact CD2-SD 3.71Å; L140-M146 HydrophobicContact CG-SD 4.18Å; D143-M146 HydrophobicContact CB-CB 4.38Å; D143-M146 HydrophobicContact CB-CG 4.33Å; D143-M146 PolarHBondContact O-N 2.94Å; D143-M146 WeakPolarHBondContact OD2-CG 3.28Å; M146-H148 VanDerWaalsContact C-N 3.32Å; M146-H148 PolarHBondContact O-N 2.84Å; M146-G149 PolarHBondContact O-N 3.12Å; M146-G149 VanDerWaalsContact O-N 3.17Å; M146-V150 WeakPolarHBondContact O-CG2 3.1Å; M146-V150 PolarHBondContact O-N 3.07Å |
| 147 | V | 88.7 | Confident | 82.3 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | D143 L144 G149 V150 L151 L188 | D143-V147 PolarHBondContact O-N 2.87Å; L144-V147 PolarHBondContact O-N 3.44Å; V147-G149 VanDerWaalsContact C-N 3.34Å; V147-G149 PolarHBondContact O-N 3.09Å; V147-V150 PolarHBondContact O-N 3.44Å; V147-L151 HydrophobicContact CG1-CD1 4.05Å; V147-L151 HydrophobicContact CG1-CG 4.48Å; V147-L151 WeakPolarHBondContact O-CG 3.18Å; V147-L151 PolarHBondContact O-N 2.89Å; V147-L188 HydrophobicContact CG1-CD1 4.11Å; V147-L188 HydrophobicContact CG1-CD2 3.86Å |
| 148 | H | 88.5 | Confident | 82.8 | Confident | 40 Ų | 40 | 39.6 Ų | 39.6 | 19% | 0.185 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 173.9 | 176.3 | -91.6 | 0 | 0 | 0 | 111.7 | L144 N145 M146 V150 L151 Y152 T210 | L144-H148 WeakPolarHBondContact O-CB 3.23Å; L144-H148 PolarHBondContact O-N 3.35Å; N145-H148 WeakPolarHBondContact O-CB 3.32Å; N145-H148 PolarHBondContact O-N 3.47Å; M146-H148 VanDerWaalsContact C-N 3.32Å; M146-H148 PolarHBondContact O-N 2.84Å; H148-V150 PolarHBondContact O-N 2.82Å; H148-L151 PolarHBondContact O-N 3.04Å; H148-Y152 WeakPolarHBondContact O-CB 3.48Å; H148-Y152 PolarHBondContact O-N 3.33Å; H148-T210 HydrophobicContact CB-CG2 4.4Å |
| 149 | G | 86.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N145 M146 V147 Y152 T153 | N145-G149 PolarHBondContact O-N 2.92Å; M146-G149 PolarHBondContact O-N 3.12Å; M146-G149 VanDerWaalsContact O-N 3.17Å; V147-G149 VanDerWaalsContact C-N 3.34Å; V147-G149 PolarHBondContact O-N 3.09Å; G149-Y152 PolarHBondContact O-N 3.13Å; G149-T153 PolarHBondContact O-N 2.97Å; G149-T153 VanDerWaalsContact O-N 3.12Å; G149-T153 PolarHBondContact O-OG1 3.4Å |
| 150 | V | 90 | Very high | 84.8 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L100 L133 R136 M137 M146 V147 H148 Y152 T153 A154 | L100-V150 HydrophobicContact CD1-CG2 4.15Å; L100-V150 HydrophobicContact CD2-CG2 3.62Å; L133-V150 HydrophobicContact CB-CG1 4.21Å; L133-V150 HydrophobicContact CD2-CG1 4.18Å; R136-V150 HydrophobicContact CB-CG2 3.93Å; M137-V150 HydrophobicContact CB-CG1 4.29Å; M146-V150 WeakPolarHBondContact O-CG2 3.1Å; M146-V150 PolarHBondContact O-N 3.07Å; V147-V150 PolarHBondContact O-N 3.44Å; H148-V150 PolarHBondContact O-N 2.82Å; V150-Y152 VanDerWaalsContact C-N 3.31Å; V150-Y152 PolarHBondContact O-N 3.23Å; V150-T153 PolarHBondContact O-N 3.32Å; V150-A154 WeakPolarHBondContact O-CB 2.84Å; V150-A154 PolarHBondContact O-N 3.25Å |
| 151 | L | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -36.3 | 179 | -71.7 | 173.7 | 0 | 0 | 0 | 111.9 | V147 H148 A154 H155 L185 L188 C214 L217 V218 I221 | V147-L151 HydrophobicContact CG1-CD1 4.05Å; V147-L151 HydrophobicContact CG1-CG 4.48Å; V147-L151 WeakPolarHBondContact O-CG 3.18Å; V147-L151 PolarHBondContact O-N 2.89Å; H148-L151 PolarHBondContact O-N 3.04Å; L151-A154 PolarHBondContact O-N 2.81Å; L151-H155 WeakPolarHBondContact O-CB 3.37Å; L151-H155 PolarHBondContact O-N 3.42Å; L151-L185 HydrophobicContact CD2-CD1 4.12Å; L151-L188 HydrophobicContact CD1-CD2 4.07Å; L151-L188 HydrophobicContact CD2-CD2 4.05Å; L151-L188 HydrophobicContact CG-CD2 4.29Å; L151-C214 HydrophobicContact CD1-CB 3.68Å; L151-L217 HydrophobicContact CB-CB 3.88Å; L151-L217 HydrophobicContact CB-CD1 3.82Å; L151-L217 HydrophobicContact CB-CG 4.49Å; L151-L217 HydrophobicContact CD1-CB 4.48Å; L151-V218 HydrophobicContact CD1-CG2 4.01Å; L151-V218 HydrophobicContact CD2-CG2 4.15Å; L151-I221 HydrophobicContact CB-CD1 4.37Å; L151-I221 HydrophobicContact CD2-CD1 3.75Å |
| 152 | Y | 90.1 | Very high | 88.3 | Confident | 73 Ų | 73 | 32.2 Ų | 32.2 | 29% | 0.286 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 177.1 | -177 | -88.4 | 0 | 0 | 0 | 111.3 | H148 G149 V150 H155 T156 | H148-Y152 WeakPolarHBondContact O-CB 3.48Å; H148-Y152 PolarHBondContact O-N 3.33Å; G149-Y152 PolarHBondContact O-N 3.13Å; V150-Y152 VanDerWaalsContact C-N 3.31Å; V150-Y152 PolarHBondContact O-N 3.23Å; Y152-H155 PolarHBondContact O-N 3.38Å; Y152-T156 WeakPolarHBondContact O-CB 3.35Å; Y152-T156 PolarHBondContact O-N 2.97Å; Y152-T156 PolarHBondContact O-OG1 3.36Å |
| 153 | T | 89.4 | Confident | 89.6 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -50.9 | 172.8 | -36.7 | 0 | 0 | 0 | 0 | 110.7 | M99 I114 G149 V150 H155 T156 L157 | M99-T153 VanDerWaalsContact CE-OG1 3.27Å; M99-T153 WeakPolarHBondContact CE-OG1 3.41Å; M99-T153 HydrophobicContact SD-CG2 4.02Å; M99-T153 PolarHBondContact SD-OG1 3.31Å; I114-T153 HydrophobicContact CD1-CG2 3.88Å; I114-T153 HydrophobicContact CG2-CG2 4.32Å; G149-T153 PolarHBondContact O-N 2.97Å; G149-T153 VanDerWaalsContact O-N 3.12Å; G149-T153 PolarHBondContact O-OG1 3.4Å; V150-T153 PolarHBondContact O-N 3.32Å; T153-H155 VanDerWaalsContact C-N 3.3Å; T153-H155 PolarHBondContact O-N 2.93Å; T153-T156 WeakPolarHBondContact O-CA 3.49Å; T153-T156 WeakPolarHBondContact O-CB 3.46Å; T153-T156 PolarHBondContact O-N 2.92Å; T153-L157 HydrophobicContact CG2-CD1 4.46Å; T153-L157 WeakPolarHBondContact O-CG 3.43Å; T153-L157 PolarHBondContact O-N 2.99Å |
| 154 | A | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V150 L151 T156 L157 F158 F181 I221 | V150-A154 WeakPolarHBondContact O-CB 2.84Å; V150-A154 PolarHBondContact O-N 3.25Å; L151-A154 PolarHBondContact O-N 2.81Å; A154-T156 PolarHBondContact O-N 2.92Å; A154-L157 PolarHBondContact O-N 3.37Å; A154-F158 HydrophobicContact CB-CD2 4.27Å; A154-F158 HydrophobicContact CB-CE2 3.83Å; A154-F158 HydrophobicContact CB-CZ 4.4Å; A154-F158 WeakPolarHBondContact O-CB 3.47Å; A154-F158 WeakPolarHBondContact O-CD2 3.24Å; A154-F158 WeakPolarHBondContact O-CG 3.22Å; A154-F158 PolarHBondContact O-N 3.21Å; A154-F181 HydrophobicContact CB-CE1 4.39Å; A154-F181 HydrophobicContact CB-CE2 4.45Å; A154-F181 HydrophobicContact CB-CZ 3.84Å; A154-I221 HydrophobicContact CB-CD1 3.9Å |
| 155 | H | 94.2 | Very high | 90 | Very high | 29 Ų | 29 | 41.2 Ų | 41.2 | 13% | 0.134 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 173.3 | 175.9 | 52.8 | 0 | 0 | 0 | 112 | L151 Y152 T153 L157 F158 K159 L217 I221 | L151-H155 WeakPolarHBondContact O-CB 3.37Å; L151-H155 PolarHBondContact O-N 3.42Å; Y152-H155 PolarHBondContact O-N 3.38Å; T153-H155 VanDerWaalsContact C-N 3.3Å; T153-H155 PolarHBondContact O-N 2.93Å; H155-L157 VanDerWaalsContact C-N 3.28Å; H155-L157 PolarHBondContact O-N 2.98Å; H155-F158 PolarHBondContact O-N 3.05Å; H155-K159 VanDerWaalsContact O-CB 3.24Å; H155-K159 WeakPolarHBondContact O-CB 3.22Å; H155-K159 WeakPolarHBondContact O-CG 3.33Å; H155-K159 PolarHBondContact O-N 3.25Å; H155-L217 HydrophobicContact CB-CD2 3.93Å; H155-I221 HydrophobicContact CB-CD1 4.36Å; H155-I221 HydrophobicContact CB-CG1 3.92Å |
| 156 | T | 90.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -34.4 | 179.1 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | Y152 T153 A154 K159 | Y152-T156 WeakPolarHBondContact O-CB 3.35Å; Y152-T156 PolarHBondContact O-N 2.97Å; Y152-T156 PolarHBondContact O-OG1 3.36Å; T153-T156 WeakPolarHBondContact O-CA 3.49Å; T153-T156 WeakPolarHBondContact O-CB 3.46Å; T153-T156 PolarHBondContact O-N 2.92Å; A154-T156 PolarHBondContact O-N 2.92Å; T156-K159 WeakPolarHBondContact O-CE 3.46Å; T156-K159 WeakPolarHBondContact O-CG 3.17Å |
| 157 | L | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.9 | -62.2 | 173 | -59 | 177.5 | 0 | 0 | 0 | 110 | I114 W118 L129 L133 T153 A154 H155 K159 R160 | I114-L157 HydrophobicContact CG2-CD1 4.45Å; I114-L157 HydrophobicContact CG2-CD2 4.02Å; W118-L157 HydrophobicContact CB-CD2 3.92Å; W118-L157 HydrophobicContact CD2-CB 4.28Å; W118-L157 HydrophobicContact CD2-CD2 3.87Å; W118-L157 HydrophobicContact CE3-CB 4.1Å; W118-L157 HydrophobicContact CE3-CD2 3.75Å; W118-L157 HydrophobicContact CG-CD2 3.95Å; W118-L157 VanDerWaalsContact CH2-C 3.41Å; W118-L157 HydrophobicContact CH2-CB 3.93Å; W118-L157 WeakPolarHBondContact CH2-O 3.29Å; W118-L157 HydrophobicContact CZ2-CB 4.24Å; W118-L157 VanDerWaalsContact CZ3-C 3.45Å; W118-L157 HydrophobicContact CZ3-CB 3.89Å; W118-L157 HydrophobicContact CZ3-CD2 4.34Å; W118-L157 WeakPolarHBondContact CZ3-O 3.41Å; L129-L157 HydrophobicContact CD2-CD1 4.11Å; L133-L157 HydrophobicContact CD1-CD1 4.23Å; T153-L157 HydrophobicContact CG2-CD1 4.46Å; T153-L157 WeakPolarHBondContact O-CG 3.43Å; T153-L157 PolarHBondContact O-N 2.99Å; A154-L157 PolarHBondContact O-N 3.37Å; H155-L157 VanDerWaalsContact C-N 3.28Å; H155-L157 PolarHBondContact O-N 2.98Å; L157-K159 VanDerWaalsContact C-N 3.27Å; L157-K159 PolarHBondContact O-N 3.49Å; L157-K159 VanDerWaalsContact O-N 3.15Å; L157-R160 PolarHBondContact O-N 3.19Å; L157-R160 VanDerWaalsContact O-N 3.15Å |
| 158 | F | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.8 | -22.8 | -168.6 | -52.2 | -29.9 | 0 | 0 | 0 | 113.8 | I130 A154 H155 R160 Y161 V177 F181 I221 S224 L225 | I130-F158 HydrophobicContact CD1-CE1 3.92Å; I130-F158 HydrophobicContact CD1-CZ 3.93Å; A154-F158 HydrophobicContact CB-CD2 4.27Å; A154-F158 HydrophobicContact CB-CE2 3.83Å; A154-F158 HydrophobicContact CB-CZ 4.4Å; A154-F158 WeakPolarHBondContact O-CB 3.47Å; A154-F158 WeakPolarHBondContact O-CD2 3.24Å; A154-F158 WeakPolarHBondContact O-CG 3.22Å; A154-F158 PolarHBondContact O-N 3.21Å; H155-F158 PolarHBondContact O-N 3.05Å; F158-R160 PolarHBondContact O-N 3.1Å; F158-Y161 HydrophobicContact CB-CD2 4.07Å; F158-Y161 HydrophobicContact CB-CE2 4.01Å; F158-Y161 AromaticContact CD1-CE2 3.84Å; F158-Y161 HydrophobicContact CD1-CE2 3.84Å; F158-Y161 HydrophobicContact CG-CE2 4.19Å; F158-Y161 WeakPolarHBondContact O-CB 3.23Å; F158-Y161 WeakPolarHBondContact O-CD2 3.32Å; F158-Y161 PolarHBondContact O-N 2.99Å; F158-V177 HydrophobicContact CD1-CG1 4.06Å; F158-V177 HydrophobicContact CE1-CG1 3.35Å; F158-V177 HydrophobicContact CE1-CG2 4.36Å; F158-V177 HydrophobicContact CE2-CG1 4.24Å; F158-V177 HydrophobicContact CZ-CG1 3.45Å; F158-V177 VanDerWaalsContact CZ-CG1 3.45Å; F158-F181 AromaticContact CE2-CD1 3.86Å; F158-F181 HydrophobicContact CE2-CD1 3.86Å; F158-F181 AromaticContact CE2-CE1 3.9Å; F158-F181 HydrophobicContact CE2-CE1 3.9Å; F158-F181 HydrophobicContact CE2-CG 4.28Å; F158-F181 HydrophobicContact CE2-CZ 4.36Å; F158-F181 HydrophobicContact CZ-CD1 4.41Å; F158-F181 HydrophobicContact CZ-CG 4.38Å; F158-I221 HydrophobicContact CD2-CG1 4.5Å; F158-I221 HydrophobicContact CD2-CG2 3.85Å; F158-I221 HydrophobicContact CE2-CG2 4.29Å; F158-S224 WeakPolarHBondContact O-CB 3.29Å; F158-L225 HydrophobicContact CB-CD2 4.26Å; F158-L225 HydrophobicContact CD1-CD2 4.48Å; F158-L225 HydrophobicContact CD2-CD2 3.95Å; F158-L225 HydrophobicContact CD2-CG 4.37Å; F158-L225 HydrophobicContact CE2-CD2 4.41Å; F158-L225 HydrophobicContact CG-CD2 3.98Å |
| 159 | K | 93.6 | Very high | 90.5 | Very high | 71 Ų | 71 | 44 Ų | 44 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -55.2 | -24.6 | 174.6 | 72.5 | -175.3 | -179.3 | -173.8 | 0 | 112.8 | E112 H155 T156 L157 Y161 R162 S224 | E112-K159 IonicContact OE1-NZ 3.96Å; E112-K159 PolarHBondContact OE1-NZ 3.01Å; H155-K159 VanDerWaalsContact O-CB 3.24Å; H155-K159 WeakPolarHBondContact O-CB 3.22Å; H155-K159 WeakPolarHBondContact O-CG 3.33Å; H155-K159 PolarHBondContact O-N 3.25Å; T156-K159 WeakPolarHBondContact O-CE 3.46Å; T156-K159 WeakPolarHBondContact O-CG 3.17Å; L157-K159 VanDerWaalsContact C-N 3.27Å; L157-K159 PolarHBondContact O-N 3.49Å; L157-K159 VanDerWaalsContact O-N 3.15Å; K159-Y161 PolarHBondContact O-N 3.26Å; K159-R162 WeakPolarHBondContact O-CB 3.35Å; K159-R162 WeakPolarHBondContact O-CG 3.38Å; K159-R162 PolarHBondContact O-N 2.96Å; K159-S224 WeakPolarHBondContact CA-OG 3.31Å |
| 160 | R | 91.2 | Very high | 90.7 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -57.3 | -35.9 | 175.7 | 86 | 166.3 | 165.8 | -164.9 | -15.3 | 112.3 | W118 L157 F158 R162 H163 E164 E173 | W118-R160 VanDerWaalsContact CE3-CZ 3.46Å; W118-R160 HydrophobicContact CH2-CG 3.49Å; W118-R160 VanDerWaalsContact CH2-CG 3.49Å; W118-R160 HydrophobicContact CZ3-CB 4.11Å; W118-R160 HydrophobicContact CZ3-CG 3.46Å; W118-R160 VanDerWaalsContact CZ3-CG 3.46Å; L157-R160 PolarHBondContact O-N 3.19Å; L157-R160 VanDerWaalsContact O-N 3.15Å; F158-R160 PolarHBondContact O-N 3.1Å; R160-R162 PolarHBondContact O-N 3.4Å; R160-H163 PolarHBondContact O-N 3.22Å; R160-E164 HydrophobicContact CG-CG 4.25Å; R160-E164 PolarHBondContact O-N 3.44Å; R160-E173 IonicContact CZ-OE1 2.69Å; R160-E173 IonicContact CZ-OE2 3.94Å; R160-E173 IonicContact NE-OE1 3.57Å; R160-E173 IonicContact NH2-OE1 3.84Å; R160-E173 PolarHBondContact NH2-OE1 2.92Å; R160-E173 IonicContact NH2-OE2 2.76Å; R160-E173 PolarHBondContact NH2-OE2 3.07Å |
| 161 | Y | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -60.1 | -22.7 | -174.6 | -58.5 | -33.9 | 0 | 0 | 0 | 112.1 | W118 F158 K159 H163 L170 E173 M174 V177 L225 Q228 | W118-Y161 AromaticContact CH2-CE1 3.91Å; W118-Y161 HydrophobicContact CH2-CE1 3.91Å; W118-Y161 HydrophobicContact CZ2-CE1 4.03Å; W118-Y161 AromaticContact CZ2-CZ 3.94Å; F158-Y161 HydrophobicContact CB-CD2 4.07Å; F158-Y161 HydrophobicContact CB-CE2 4.01Å; F158-Y161 AromaticContact CD1-CE2 3.84Å; F158-Y161 HydrophobicContact CD1-CE2 3.84Å; F158-Y161 HydrophobicContact CG-CE2 4.19Å; F158-Y161 WeakPolarHBondContact O-CB 3.23Å; F158-Y161 WeakPolarHBondContact O-CD2 3.32Å; F158-Y161 PolarHBondContact O-N 2.99Å; K159-Y161 PolarHBondContact O-N 3.26Å; Y161-H163 PolarHBondContact O-N 3.35Å; Y161-L170 HydrophobicContact CD1-CD1 3.68Å; Y161-L170 HydrophobicContact CE1-CD1 4Å; Y161-E173 WeakPolarHBondContact CE1-OE1 3.49Å; Y161-E173 PolarHBondContact OH-OE1 3.37Å; Y161-M174 HydrophobicContact CD1-CG 4.16Å; Y161-M174 HydrophobicContact CD1-SD 4.42Å; Y161-M174 HydrophobicContact CD2-CE 4.07Å; Y161-M174 HydrophobicContact CD2-CG 4.09Å; Y161-M174 HydrophobicContact CD2-SD 4.29Å; Y161-M174 HydrophobicContact CE1-CG 3.95Å; Y161-M174 HydrophobicContact CE2-CG 3.9Å; Y161-M174 HydrophobicContact CG-CE 4.39Å; Y161-M174 HydrophobicContact CG-CG 4.21Å; Y161-M174 HydrophobicContact CG-SD 4.15Å; Y161-V177 WeakPolarHBondContact OH-CG2 3.32Å; Y161-L225 HydrophobicContact CD2-CD2 4.41Å; Y161-L225 HydrophobicContact CE2-CD2 4.06Å; Y161-Q228 PolarHBondContact O-NE2 3.23Å |
| 162 | R | 91.7 | Very high | 90.9 | Very high | 81 Ų | 81 | 55.9 Ų | 55.9 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -68.3 | -19.3 | 176.9 | -56 | 178.7 | -171.7 | -171.6 | -0.8 | 113.7 | K159 R160 K220 S224 C227 | K159-R162 WeakPolarHBondContact O-CB 3.35Å; K159-R162 WeakPolarHBondContact O-CG 3.38Å; K159-R162 PolarHBondContact O-N 2.96Å; R160-R162 PolarHBondContact O-N 3.4Å; R162-K220 PolarHBondContact NH2-O 2.86Å; R162-S224 PolarHBondContact NE-OG 2.73Å; R162-S224 PolarHBondContact NH2-OG 3.26Å; R162-S224 VanDerWaalsContact NH2-OG 3.16Å; R162-C227 HydrophobicContact CG-CB 4.38Å |
| 163 | H | 87.8 | Confident | 91 | Very high | 166 Ų | 166 | 53.5 Ų | 53.5 | 77% | 0.769 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -4.7 | -173.9 | -52.7 | -60.7 | 0 | 0 | 0 | 113.4 | R160 Y161 | R160-H163 PolarHBondContact O-N 3.22Å; Y161-H163 PolarHBondContact O-N 3.35Å |
| 164 | E | 87.3 | Confident | 91.3 | Very high | 74 Ų | 74 | 53.9 Ų | 53.9 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -80.4 | 146.4 | 176.4 | -68.2 | -64.8 | 167.7 | 0 | 0 | 111.2 | R160 L170 Q228 | R160-E164 HydrophobicContact CG-CG 4.25Å; R160-E164 PolarHBondContact O-N 3.44Å; E164-L170 HydrophobicContact CB-CD1 4.07Å; E164-L170 HydrophobicContact CB-CD2 3.84Å; E164-L170 HydrophobicContact CG-CD1 4.31Å; E164-Q228 PolarHBondContact O-NE2 2.86Å |
| 165 | C | 85.6 | Confident | 91.4 | Very high | 114 Ų | 114 | 61.3 Ų | 61.3 | 77% | 0.77 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 133.8 | 172.4 | -69.3 | 0 | 0 | 0 | 0 | 110 | G167 | C165-G167 PolarHBondContact O-N 3.48Š|
| 166 | A | 86.1 | Confident | 91.4 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 51% | 0.512 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 133.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y171 | A166-Y171 HydrophobicContact CB-CE2 4.35Å; A166-Y171 WeakPolarHBondContact CB-OH 3.4Å |
| 167 | G | 88.4 | Confident | 91.7 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | trans | -172.6 | 164.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C165 D169 L170 Y171 | C165-G167 PolarHBondContact O-N 3.48Å; G167-D169 VanDerWaalsContact C-N 3.31Å; G167-D169 PolarHBondContact O-N 3.24Å; G167-L170 PolarHBondContact O-N 2.99Å; G167-Y171 VanDerWaalsContact O-CD2 3.23Å; G167-Y171 WeakPolarHBondContact O-CD2 3.49Å; G167-Y171 PolarHBondContact O-N 3.31Å | ||
| 168 | P | 90.9 | Very high | 91.8 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 66% | 0.656 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.1 | -34.2 | -173.6 | 24.9 | -34.2 | 0 | 0 | 0 | 113.4 | R172 | P168-R172 WeakPolarHBondContact O-CB 3.48Å; P168-R172 PolarHBondContact O-N 3.01Å |
| 169 | D | 90 | Very high | 91.8 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 54% | 0.54 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.6 | -44.8 | 177.6 | -63.4 | -47.9 | 0 | 0 | 0 | 111.4 | G167 Y171 R172 E173 | G167-D169 VanDerWaalsContact C-N 3.31Å; G167-D169 PolarHBondContact O-N 3.24Å; D169-Y171 PolarHBondContact O-N 3.17Å; D169-R172 PolarHBondContact O-N 3.45Å; D169-R172 IonicContact OD1-CZ 3.24Å; D169-R172 IonicContact OD1-NH1 3.84Å; D169-R172 PolarHBondContact OD1-NH1 3.38Å; D169-R172 IonicContact OD1-NH2 3.68Å; D169-R172 PolarHBondContact OD1-NH2 3.46Å; D169-E173 PolarHBondContact O-N 2.98Å |
| 170 | L | 91.2 | Very high | 91.9 | Very high | 19 Ų | 19 | 66.5 Ų | 66.5 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 175.2 | -178.7 | 67.6 | 0 | 0 | 0 | 111.2 | Y161 E164 G167 R172 E173 M174 Q228 | Y161-L170 HydrophobicContact CD1-CD1 3.68Å; Y161-L170 HydrophobicContact CE1-CD1 4Å; E164-L170 HydrophobicContact CB-CD1 4.07Å; E164-L170 HydrophobicContact CB-CD2 3.84Å; E164-L170 HydrophobicContact CG-CD1 4.31Å; G167-L170 PolarHBondContact O-N 2.99Å; L170-R172 PolarHBondContact O-N 3.22Å; L170-E173 PolarHBondContact O-N 2.99Å; L170-M174 HydrophobicContact CD1-CG 4.42Å; L170-M174 HydrophobicContact CD1-SD 4.43Å; L170-M174 HydrophobicContact CG-CG 4.45Å; L170-M174 HydrophobicContact CG-SD 4.13Å; L170-M174 WeakPolarHBondContact O-CB 3.39Å; L170-M174 WeakPolarHBondContact O-CG 3.45Å; L170-M174 PolarHBondContact O-N 3.16Å; L170-Q228 HydrophobicContact CD2-CG 4.11Å |
| 171 | Y | 92.6 | Very high | 92.1 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 179.4 | -69.1 | -45.4 | 0 | 0 | 0 | 113 | A166 G167 D169 E173 M174 K175 Q228 D229 | A166-Y171 HydrophobicContact CB-CE2 4.35Å; A166-Y171 WeakPolarHBondContact CB-OH 3.4Å; G167-Y171 VanDerWaalsContact O-CD2 3.23Å; G167-Y171 WeakPolarHBondContact O-CD2 3.49Å; G167-Y171 PolarHBondContact O-N 3.31Å; D169-Y171 PolarHBondContact O-N 3.17Å; Y171-E173 VanDerWaalsContact C-N 3.33Å; Y171-M174 PolarHBondContact O-N 3.24Å; Y171-K175 VanDerWaalsContact O-CB 3.26Å; Y171-K175 WeakPolarHBondContact O-CB 3.5Å; Y171-K175 PolarHBondContact O-N 2.97Å; Y171-Q228 HydrophobicContact CE1-CB 4.12Å; Y171-D229 HydrophobicContact CE1-CB 4.25Å |
| 172 | R | 93.4 | Very high | 92.1 | Very high | 139 Ų | 139 | 65.2 Ų | 65.2 | 53% | 0.525 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 174.6 | -171.9 | -169 | -47.7 | 133.3 | 16.1 | 110.9 | P168 D169 L170 L176 | P168-R172 WeakPolarHBondContact O-CB 3.48Å; P168-R172 PolarHBondContact O-N 3.01Å; D169-R172 PolarHBondContact O-N 3.45Å; D169-R172 IonicContact OD1-CZ 3.24Å; D169-R172 IonicContact OD1-NH1 3.84Å; D169-R172 PolarHBondContact OD1-NH1 3.38Å; D169-R172 IonicContact OD1-NH2 3.68Å; D169-R172 PolarHBondContact OD1-NH2 3.46Å; L170-R172 PolarHBondContact O-N 3.22Å; R172-L176 PolarHBondContact O-N 2.92Å; R172-L176 VanDerWaalsContact O-N 3.14Å |
| 173 | E | 93.3 | Very high | 92.2 | Very high | 23 Ų | 23 | 64 Ų | 64 | 11% | 0.107 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.5 | -49.5 | 177.9 | -168.5 | -163.7 | 110.1 | 0 | 0 | 111.8 | W118 F122 R160 Y161 D169 L170 Y171 K175 L176 V177 | W118-E173 WeakPolarHBondContact CZ2-OE1 3.49Å; F122-E173 HydrophobicContact CD1-CG 3.78Å; F122-E173 HydrophobicContact CE1-CG 3.56Å; R160-E173 IonicContact CZ-OE1 2.69Å; R160-E173 IonicContact CZ-OE2 3.94Å; R160-E173 IonicContact NE-OE1 3.57Å; R160-E173 IonicContact NH2-OE1 3.84Å; R160-E173 PolarHBondContact NH2-OE1 2.92Å; R160-E173 IonicContact NH2-OE2 2.76Å; R160-E173 PolarHBondContact NH2-OE2 3.07Å; Y161-E173 WeakPolarHBondContact CE1-OE1 3.49Å; Y161-E173 PolarHBondContact OH-OE1 3.37Å; D169-E173 PolarHBondContact O-N 2.98Å; L170-E173 PolarHBondContact O-N 2.99Å; Y171-E173 VanDerWaalsContact C-N 3.33Å; E173-K175 VanDerWaalsContact C-N 3.29Å; E173-K175 PolarHBondContact O-N 3.08Å; E173-L176 WeakPolarHBondContact O-CB 3.39Å; E173-L176 PolarHBondContact O-N 2.99Å; E173-L176 VanDerWaalsContact O-N 3.07Å; E173-V177 WeakPolarHBondContact O-CG2 3.42Å; E173-V177 PolarHBondContact O-N 2.99Å |
| 174 | M | 94.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.044 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 177.7 | -73.4 | -175.6 | 70.7 | 0 | 0 | 111.4 | Y161 L170 Y171 L176 V177 I178 L225 Q228 | Y161-M174 HydrophobicContact CD1-CG 4.16Å; Y161-M174 HydrophobicContact CD1-SD 4.42Å; Y161-M174 HydrophobicContact CD2-CE 4.07Å; Y161-M174 HydrophobicContact CD2-CG 4.09Å; Y161-M174 HydrophobicContact CD2-SD 4.29Å; Y161-M174 HydrophobicContact CE1-CG 3.95Å; Y161-M174 HydrophobicContact CE2-CG 3.9Å; Y161-M174 HydrophobicContact CG-CE 4.39Å; Y161-M174 HydrophobicContact CG-CG 4.21Å; Y161-M174 HydrophobicContact CG-SD 4.15Å; L170-M174 HydrophobicContact CD1-CG 4.42Å; L170-M174 HydrophobicContact CD1-SD 4.43Å; L170-M174 HydrophobicContact CG-CG 4.45Å; L170-M174 HydrophobicContact CG-SD 4.13Å; L170-M174 WeakPolarHBondContact O-CB 3.39Å; L170-M174 WeakPolarHBondContact O-CG 3.45Å; L170-M174 PolarHBondContact O-N 3.16Å; Y171-M174 PolarHBondContact O-N 3.24Å; M174-L176 VanDerWaalsContact C-N 3.31Å; M174-L176 PolarHBondContact O-N 3.34Å; M174-V177 PolarHBondContact O-N 3.32Å; M174-I178 HydrophobicContact CB-CD1 4.35Å; M174-I178 WeakPolarHBondContact O-CB 3.38Å; M174-I178 WeakPolarHBondContact O-CD1 3.48Å; M174-I178 WeakPolarHBondContact O-CG1 3.4Å; M174-I178 PolarHBondContact O-N 3.17Å; M174-L225 WeakPolarHBondContact CE-O 2.94Å; M174-Q228 HydrophobicContact CE-CB 4.08Å; M174-Q228 HydrophobicContact CE-CG 4.39Å; M174-Q228 HydrophobicContact SD-CB 3.91Å; M174-Q228 HydrophobicContact SD-CG 3.94Å |
| 175 | K | 94.7 | Very high | 92.9 | Very high | 156 Ų | 156 | 54.6 Ų | 54.6 | 68% | 0.678 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.8 | -41.6 | 175.9 | -172.8 | 171.4 | -174.4 | 167.4 | 0 | 111.9 | Y171 E173 G179 | Y171-K175 VanDerWaalsContact O-CB 3.26Å; Y171-K175 WeakPolarHBondContact O-CB 3.5Å; Y171-K175 PolarHBondContact O-N 2.97Å; E173-K175 VanDerWaalsContact C-N 3.29Å; E173-K175 PolarHBondContact O-N 3.08Å; K175-G179 PolarHBondContact O-N 3.48Å |
| 176 | L | 95 | Very high | 93.3 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 175.7 | -176.7 | 152.6 | 0 | 0 | 0 | 111.4 | F122 P123 R172 E173 M174 Q180 | F122-L176 HydrophobicContact CE1-CD2 4.25Å; F122-L176 HydrophobicContact CE2-CD2 4.2Å; F122-L176 HydrophobicContact CZ-CD2 3.49Å; F122-L176 VanDerWaalsContact CZ-CD2 3.49Å; P123-L176 HydrophobicContact CB-CD1 4.07Å; R172-L176 PolarHBondContact O-N 2.92Å; R172-L176 VanDerWaalsContact O-N 3.14Å; E173-L176 WeakPolarHBondContact O-CB 3.39Å; E173-L176 PolarHBondContact O-N 2.99Å; E173-L176 VanDerWaalsContact O-N 3.07Å; M174-L176 VanDerWaalsContact C-N 3.31Å; M174-L176 PolarHBondContact O-N 3.34Å; L176-Q180 WeakPolarHBondContact O-CG 3.47Å; L176-Q180 PolarHBondContact O-N 3.11Å |
| 177 | V | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | F122 I130 F158 Y161 E173 M174 G179 Q180 F181 L225 | F122-V177 HydrophobicContact CE1-CG2 3.67Å; F122-V177 HydrophobicContact CZ-CG2 3.8Å; I130-V177 HydrophobicContact CD1-CG2 4.37Å; I130-V177 HydrophobicContact CG1-CG2 4.18Å; F158-V177 HydrophobicContact CD1-CG1 4.06Å; F158-V177 HydrophobicContact CE1-CG1 3.35Å; F158-V177 HydrophobicContact CE1-CG2 4.36Å; F158-V177 HydrophobicContact CE2-CG1 4.24Å; F158-V177 HydrophobicContact CZ-CG1 3.45Å; F158-V177 VanDerWaalsContact CZ-CG1 3.45Å; Y161-V177 WeakPolarHBondContact OH-CG2 3.32Å; E173-V177 WeakPolarHBondContact O-CG2 3.42Å; E173-V177 PolarHBondContact O-N 2.99Å; M174-V177 PolarHBondContact O-N 3.32Å; V177-G179 PolarHBondContact O-N 3.48Å; V177-Q180 PolarHBondContact O-N 3.1Å; V177-F181 WeakPolarHBondContact O-CB 3.36Å; V177-F181 PolarHBondContact O-N 2.93Å; V177-L225 HydrophobicContact CG1-CD2 4.19Å |
| 178 | I | 95.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | -178.1 | -67.6 | 160.7 | 0 | 0 | 0 | 110.6 | M174 Q180 F181 G182 L225 P231 F233 F234 | M174-I178 HydrophobicContact CB-CD1 4.35Å; M174-I178 WeakPolarHBondContact O-CB 3.38Å; M174-I178 WeakPolarHBondContact O-CD1 3.48Å; M174-I178 WeakPolarHBondContact O-CG1 3.4Å; M174-I178 PolarHBondContact O-N 3.17Å; I178-Q180 PolarHBondContact O-N 3.41Å; I178-F181 PolarHBondContact O-N 3.24Å; I178-G182 WeakPolarHBondContact O-CA 3.47Å; I178-G182 PolarHBondContact O-N 2.95Å; I178-L225 HydrophobicContact CG1-CD2 4.2Å; I178-P231 HydrophobicContact CD1-CB 3.74Å; I178-P231 HydrophobicContact CD1-CG 3.49Å; I178-P231 VanDerWaalsContact CD1-CG 3.49Å; I178-P231 HydrophobicContact CG2-CB 4.3Å; I178-F233 HydrophobicContact CG2-CB 4.03Å; I178-F234 HydrophobicContact CG1-CE2 4.35Å; I178-F234 HydrophobicContact CG2-CD2 4.49Å; I178-F234 HydrophobicContact CG2-CE2 4.1Å |
| 179 | G | 95.3 | Very high | 94.1 | Very high | 69 Ų | 69 | 47 Ų | 47 | 71% | 0.711 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.5 | -25.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | K175 V177 | K175-G179 PolarHBondContact O-N 3.48Å; V177-G179 PolarHBondContact O-N 3.48Å |
| 180 | Q | 94.7 | Very high | 94.2 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -99.9 | -31 | 179.3 | -65.1 | 176.3 | 6.5 | 0 | 0 | 113.3 | I130 P131 L176 V177 I178 | I130-Q180 HydrophobicContact CG2-CB 3.78Å; P131-Q180 VanDerWaalsContact CD-OE1 3.31Å; L176-Q180 WeakPolarHBondContact O-CG 3.47Å; L176-Q180 PolarHBondContact O-N 3.11Å; V177-Q180 PolarHBondContact O-N 3.1Å; I178-Q180 PolarHBondContact O-N 3.41Å |
| 181 | F | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -107.3 | -23.9 | -170.1 | -158.6 | -97.8 | 0 | 0 | 0 | 113.9 | I130 V134 M137 A154 F158 V177 I178 P184 L185 I221 | I130-F181 HydrophobicContact CG2-CB 4.06Å; I130-F181 HydrophobicContact CG2-CD2 4.06Å; V134-F181 HydrophobicContact CG2-CD2 3.66Å; V134-F181 HydrophobicContact CG2-CE2 4.25Å; M137-F181 HydrophobicContact CE-CD2 4.3Å; M137-F181 HydrophobicContact CE-CE2 3.75Å; M137-F181 HydrophobicContact CE-CZ 4.07Å; M137-F181 HydrophobicContact SD-CZ 4.48Å; A154-F181 HydrophobicContact CB-CE1 4.39Å; A154-F181 HydrophobicContact CB-CE2 4.45Å; A154-F181 HydrophobicContact CB-CZ 3.84Å; F158-F181 AromaticContact CE2-CD1 3.86Å; F158-F181 HydrophobicContact CE2-CD1 3.86Å; F158-F181 AromaticContact CE2-CE1 3.9Å; F158-F181 HydrophobicContact CE2-CE1 3.9Å; F158-F181 HydrophobicContact CE2-CG 4.28Å; F158-F181 HydrophobicContact CE2-CZ 4.36Å; F158-F181 HydrophobicContact CZ-CD1 4.41Å; F158-F181 HydrophobicContact CZ-CG 4.38Å; V177-F181 WeakPolarHBondContact O-CB 3.36Å; V177-F181 PolarHBondContact O-N 2.93Å; I178-F181 PolarHBondContact O-N 3.24Å; F181-P184 WeakPolarHBondContact O-CD 3.22Å; F181-L185 HydrophobicContact CD1-CB 4Å; F181-L185 HydrophobicContact CD1-CD2 4.28Å; F181-L185 HydrophobicContact CE1-CB 4.01Å; F181-L185 HydrophobicContact CE1-CD1 4.02Å; F181-L185 HydrophobicContact CE1-CD2 4.19Å; F181-L185 HydrophobicContact CE1-CG 4.29Å; F181-L185 WeakPolarHBondContact O-CB 3.25Å; F181-L185 PolarHBondContact O-N 3.2Å; F181-I221 HydrophobicContact CE1-CG2 4.3Å |
| 182 | G | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -52.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I178 L185 T186 F233 | I178-G182 WeakPolarHBondContact O-CA 3.47Å; I178-G182 PolarHBondContact O-N 2.95Å; G182-L185 PolarHBondContact O-N 3.15Å; G182-T186 PolarHBondContact O-N 2.88Å; G182-T186 PolarHBondContact O-OG1 3.46Å; G182-F233 VanDerWaalsContact C-CZ 3.41Å; G182-F233 WeakPolarHBondContact O-CE1 3.44Å |
| 183 | A | 94.8 | Very high | 94.2 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 46% | 0.463 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -48.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L185 T186 E187 F233 | A183-L185 VanDerWaalsContact C-N 3.3Å; A183-L185 PolarHBondContact O-N 3.36Å; A183-T186 PolarHBondContact O-N 3.44Å; A183-E187 PolarHBondContact O-N 3.38Å; A183-F233 HydrophobicContact CB-CE2 3.91Å; A183-F233 HydrophobicContact CB-CZ 4Å |
| 184 | P | 93.7 | Very high | 94.1 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.7 | -40.1 | 173.9 | -27.7 | 35.3 | 0 | 0 | 0 | 114 | V134 M137 F181 L188 | V134-P184 HydrophobicContact CG1-CB 3.98Å; V134-P184 HydrophobicContact CG1-CG 3.64Å; V134-P184 HydrophobicContact CG2-CB 4.49Å; V134-P184 HydrophobicContact CG2-CG 4.28Å; M137-P184 HydrophobicContact CE-CB 3.58Å; F181-P184 WeakPolarHBondContact O-CD 3.22Å; P184-L188 WeakPolarHBondContact O-CB 3.39Å; P184-L188 PolarHBondContact O-N 2.92Å |
| 185 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 177 | 179.8 | 66.4 | 0 | 0 | 0 | 111.8 | L151 F181 G182 A183 L188 A189 V218 I221 L225 W241 | L151-L185 HydrophobicContact CD2-CD1 4.12Å; F181-L185 HydrophobicContact CD1-CB 4Å; F181-L185 HydrophobicContact CD1-CD2 4.28Å; F181-L185 HydrophobicContact CE1-CB 4.01Å; F181-L185 HydrophobicContact CE1-CD1 4.02Å; F181-L185 HydrophobicContact CE1-CD2 4.19Å; F181-L185 HydrophobicContact CE1-CG 4.29Å; F181-L185 WeakPolarHBondContact O-CB 3.25Å; F181-L185 PolarHBondContact O-N 3.2Å; G182-L185 PolarHBondContact O-N 3.15Å; A183-L185 VanDerWaalsContact C-N 3.3Å; A183-L185 PolarHBondContact O-N 3.36Å; L185-L188 PolarHBondContact O-N 2.95Å; L185-A189 WeakPolarHBondContact O-CB 3.04Å; L185-A189 PolarHBondContact O-N 3.1Å; L185-V218 HydrophobicContact CD1-CB 4.43Å; L185-V218 HydrophobicContact CD1-CG1 4.16Å; L185-V218 HydrophobicContact CD1-CG2 3.95Å; L185-I221 HydrophobicContact CD2-CG2 3.62Å; L185-L225 HydrophobicContact CD2-CD1 4.21Å; L185-W241 HydrophobicContact CD2-CH2 4.26Å; L185-W241 HydrophobicContact CD2-CZ2 4.44Å; L185-W241 HydrophobicContact CG-CH2 4.11Å; L185-W241 HydrophobicContact CG-CZ2 4.37Å |
| 186 | T | 95.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 179.6 | -54.5 | 0 | 0 | 0 | 0 | 111 | G182 A183 A189 K190 F233 W241 | G182-T186 PolarHBondContact O-N 2.88Å; G182-T186 PolarHBondContact O-OG1 3.46Å; A183-T186 PolarHBondContact O-N 3.44Å; T186-A189 WeakPolarHBondContact O-CB 3.47Å; T186-A189 PolarHBondContact O-N 2.95Å; T186-K190 WeakPolarHBondContact O-CG 3.42Å; T186-K190 PolarHBondContact O-N 3.46Å; T186-K190 VanDerWaalsContact O-N 3.13Å; T186-F233 WeakPolarHBondContact OG1-CE1 3.38Å; T186-W241 HydrophobicContact CG2-CZ2 4.31Å; T186-W241 WeakPolarHBondContact OG1-CZ2 3.48Å; T186-W241 PolarHBondContact OG1-NE1 3.39Å |
| 187 | E | 93.5 | Very high | 93.5 | Very high | 102 Ų | 102 | 35.3 Ų | 35.3 | 48% | 0.477 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 176.8 | -175.6 | 55.1 | -152.7 | 0 | 0 | 111.7 | A183 A189 K190 N191 | A183-E187 PolarHBondContact O-N 3.38Å; E187-A189 VanDerWaalsContact C-N 3.33Å; E187-A189 PolarHBondContact O-N 3.46Å; E187-K190 PolarHBondContact O-N 3.16Å; E187-N191 PolarHBondContact O-N 3.26Å; E187-N191 PolarHBondContact O-ND2 3.27Å; E187-N191 PolarHBondContact OE1-ND2 3.16Å |
| 188 | L | 92.9 | Very high | 92.9 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -43 | 173.9 | 179.1 | 63.7 | 0 | 0 | 0 | 111.5 | M137 V147 L151 P184 L185 K190 N191 L192 | M137-L188 HydrophobicContact CG-CD2 3.91Å; M137-L188 HydrophobicContact SD-CB 4.33Å; M137-L188 HydrophobicContact SD-CD2 3.47Å; M137-L188 WeakPolarHBondContact SD-CD2 3.33Å; M137-L188 HydrophobicContact SD-CG 4.48Å; V147-L188 HydrophobicContact CG1-CD1 4.11Å; V147-L188 HydrophobicContact CG1-CD2 3.86Å; L151-L188 HydrophobicContact CD1-CD2 4.07Å; L151-L188 HydrophobicContact CD2-CD2 4.05Å; L151-L188 HydrophobicContact CG-CD2 4.29Å; P184-L188 WeakPolarHBondContact O-CB 3.39Å; P184-L188 PolarHBondContact O-N 2.92Å; L185-L188 PolarHBondContact O-N 2.95Å; L188-K190 PolarHBondContact O-N 2.58Å; L188-N191 PolarHBondContact O-N 3.31Å; L188-L192 HydrophobicContact CD1-CD1 4.03Å; L188-L192 HydrophobicContact CD1-CD2 4.38Å; L188-L192 HydrophobicContact CD1-CG 3.89Å; L188-L192 HydrophobicContact CD2-CD1 4.26Å; L188-L192 HydrophobicContact CG-CD1 3.78Å; L188-L192 HydrophobicContact CG-CG 4.11Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 VanDerWaalsContact O-CG 3.31Å; L188-L192 WeakPolarHBondContact O-CG 3.19Å; L188-L192 PolarHBondContact O-N 3.3Å |
| 189 | A | 94.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L185 T186 E187 L192 L193 V218 W241 F244 | L185-A189 WeakPolarHBondContact O-CB 3.04Å; L185-A189 PolarHBondContact O-N 3.1Å; T186-A189 WeakPolarHBondContact O-CB 3.47Å; T186-A189 PolarHBondContact O-N 2.95Å; E187-A189 VanDerWaalsContact C-N 3.33Å; E187-A189 PolarHBondContact O-N 3.46Å; A189-L192 PolarHBondContact O-N 3.49Å; A189-L193 WeakPolarHBondContact O-CB 3.44Å; A189-L193 PolarHBondContact O-N 3.39Å; A189-V218 HydrophobicContact CB-CG1 3.85Å; A189-W241 HydrophobicContact CB-CH2 3.99Å; A189-W241 HydrophobicContact CB-CZ3 4.17Å; A189-F244 HydrophobicContact CB-CD2 4.21Å; A189-F244 HydrophobicContact CB-CE2 3.8Å; A189-F244 HydrophobicContact CB-CZ 4Å; A189-F244 WeakPolarHBondContact O-CE2 3.24Å |
| 190 | K | 93 | Very high | 91.8 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 175.7 | -69.6 | 176 | -178.2 | 179.4 | 0 | 111.8 | T186 E187 L188 L193 G194 D240 | T186-K190 WeakPolarHBondContact O-CG 3.42Å; T186-K190 PolarHBondContact O-N 3.46Å; T186-K190 VanDerWaalsContact O-N 3.13Å; E187-K190 PolarHBondContact O-N 3.16Å; L188-K190 PolarHBondContact O-N 2.58Å; K190-L193 PolarHBondContact O-N 3.3Å; K190-G194 PolarHBondContact O-N 3Å; K190-D240 WeakPolarHBondContact CE-OD2 3.38Å; K190-D240 VanDerWaalsContact NZ-CG 3.29Å; K190-D240 IonicContact NZ-OD1 3.79Å; K190-D240 IonicContact NZ-OD2 3.39Å; K190-D240 PolarHBondContact NZ-OD2 3.46Å |
| 191 | N | 91.9 | Very high | 91.4 | Very high | 87 Ų | 87 | 46.8 Ų | 46.8 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 179.3 | -74.6 | -48.7 | 0 | 0 | 0 | 112.5 | E187 L188 L193 G194 L195 | E187-N191 PolarHBondContact O-N 3.26Å; E187-N191 PolarHBondContact O-ND2 3.27Å; E187-N191 PolarHBondContact OE1-ND2 3.16Å; L188-N191 PolarHBondContact O-N 3.31Å; N191-L193 PolarHBondContact O-N 3.23Å; N191-G194 PolarHBondContact O-N 3.35Å; N191-L195 WeakPolarHBondContact O-CG 3.37Å; N191-L195 PolarHBondContact O-N 2.87Å |
| 192 | L | 92.6 | Very high | 91 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.7 | -70.4 | 172.6 | 0 | 0 | 0 | 111.4 | L144 L188 A189 G194 L195 V196 V211 C214 L215 V218 | L144-L192 HydrophobicContact CD2-CD2 4.37Å; L188-L192 HydrophobicContact CD1-CD1 4.03Å; L188-L192 HydrophobicContact CD1-CD2 4.38Å; L188-L192 HydrophobicContact CD1-CG 3.89Å; L188-L192 HydrophobicContact CD2-CD1 4.26Å; L188-L192 HydrophobicContact CG-CD1 3.78Å; L188-L192 HydrophobicContact CG-CG 4.11Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 VanDerWaalsContact O-CG 3.31Å; L188-L192 WeakPolarHBondContact O-CG 3.19Å; L188-L192 PolarHBondContact O-N 3.3Å; A189-L192 PolarHBondContact O-N 3.49Å; L192-G194 VanDerWaalsContact C-N 3.31Å; L192-G194 PolarHBondContact O-N 3.3Å; L192-L195 WeakPolarHBondContact O-CB 3.5Å; L192-L195 PolarHBondContact O-N 3.24Å; L192-L195 VanDerWaalsContact O-N 3.15Å; L192-V196 PolarHBondContact O-N 2.99Å; L192-V211 HydrophobicContact CB-CG1 4.36Å; L192-V211 HydrophobicContact CD2-CG1 4.15Å; L192-C214 HydrophobicContact CD1-CB 3.67Å; L192-C214 HydrophobicContact CD2-CB 4.18Å; L192-L215 HydrophobicContact CB-CD2 3.68Å; L192-L215 HydrophobicContact CB-CG 4.08Å; L192-L215 HydrophobicContact CD1-CD2 4.41Å; L192-V218 HydrophobicContact CD1-CG2 4.19Å |
| 193 | L | 92.9 | Very high | 90.4 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 175.3 | -174.4 | 63.4 | 0 | 0 | 0 | 111.5 | A189 K190 N191 L195 V196 I197 F244 L248 | A189-L193 WeakPolarHBondContact O-CB 3.44Å; A189-L193 PolarHBondContact O-N 3.39Å; K190-L193 PolarHBondContact O-N 3.3Å; N191-L193 PolarHBondContact O-N 3.23Å; L193-L195 PolarHBondContact O-N 3.04Å; L193-V196 PolarHBondContact O-N 2.91Å; L193-I197 HydrophobicContact CD1-CD1 3.72Å; L193-I197 HydrophobicContact CD1-CG1 3.87Å; L193-I197 HydrophobicContact CD2-CD1 4.19Å; L193-I197 HydrophobicContact CG-CD1 3.86Å; L193-I197 HydrophobicContact CG-CG1 3.91Å; L193-I197 WeakPolarHBondContact O-CG1 3.39Å; L193-I197 PolarHBondContact O-N 2.75Å; L193-F244 HydrophobicContact CB-CD2 4.11Å; L193-F244 HydrophobicContact CB-CE2 4.04Å; L193-F244 HydrophobicContact CD2-CD2 3.72Å; L193-F244 HydrophobicContact CD2-CE2 4.38Å; L193-F244 HydrophobicContact CG-CD2 4.41Å; L193-L248 HydrophobicContact CD1-CD2 3.81Å; L193-L248 HydrophobicContact CD1-CG 4.5Å |
| 194 | G | 91.8 | Very high | 90 | Very high | 26 Ų | 26 | 54.4 Ų | 54.4 | 27% | 0.268 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.4 | -28.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K190 N191 L192 V196 G198 | K190-G194 PolarHBondContact O-N 3Å; N191-G194 PolarHBondContact O-N 3.35Å; L192-G194 VanDerWaalsContact C-N 3.31Å; L192-G194 PolarHBondContact O-N 3.3Å; G194-V196 VanDerWaalsContact C-N 3.31Å; G194-G198 CarbonylContact O-C 3.57Å; G194-G198 WeakPolarHBondContact O-CA 3.43Å; G194-G198 PolarHBondContact O-N 3.39Å |
| 195 | L | 91.3 | Very high | 89.6 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77.6 | -13.1 | 173 | -63.4 | 174.9 | 0 | 0 | 0 | 113.4 | L144 N191 L192 L193 N200 R201 I202 V211 | L144-L195 HydrophobicContact CD2-CD1 4.35Å; N191-L195 WeakPolarHBondContact O-CG 3.37Å; N191-L195 PolarHBondContact O-N 2.87Å; L192-L195 WeakPolarHBondContact O-CB 3.5Å; L192-L195 PolarHBondContact O-N 3.24Å; L192-L195 VanDerWaalsContact O-N 3.15Å; L193-L195 PolarHBondContact O-N 3.04Å; L195-N200 HydrophobicContact CD2-CB 4.43Å; L195-R201 CarbonylContact O-C 3.18Å; L195-R201 VanDerWaalsContact O-CA 3.29Å; L195-R201 WeakPolarHBondContact O-CA 3.5Å; L195-I202 HydrophobicContact CB-CD1 4.21Å; L195-I202 HydrophobicContact CB-CG1 4.25Å; L195-I202 HydrophobicContact CD1-CD1 4.18Å; L195-I202 HydrophobicContact CD2-CD1 4.29Å; L195-I202 HydrophobicContact CD2-CG1 4.2Å; L195-I202 HydrophobicContact CG-CD1 4.46Å; L195-I202 PolarHBondContact O-N 2.77Å; L195-V211 HydrophobicContact CB-CG1 4.43Å; L195-V211 HydrophobicContact CB-CG2 4.45Å; L195-V211 HydrophobicContact CD1-CG2 4.17Å |
| 196 | V | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -101.8 | -46.9 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | L192 L193 G194 R201 L208 V211 L215 I251 L256 | L192-V196 PolarHBondContact O-N 2.99Å; L193-V196 PolarHBondContact O-N 2.91Å; G194-V196 VanDerWaalsContact C-N 3.31Å; V196-R201 WeakPolarHBondContact O-CD 3.46Å; V196-R201 WeakPolarHBondContact O-CG 3.45Å; V196-L208 HydrophobicContact CG1-CD1 4.43Å; V196-L208 HydrophobicContact CG2-CD1 3.97Å; V196-V211 HydrophobicContact CG2-CG1 3.57Å; V196-L215 HydrophobicContact CG2-CD1 3.76Å; V196-I251 HydrophobicContact CG1-CD1 3.96Å; V196-L256 HydrophobicContact CG1-CD1 4.02Å; V196-L256 HydrophobicContact CG1-CD2 3.69Å |
| 197 | I | 89.2 | Confident | 88.7 | Confident | 88 Ų | 88 | 63.9 Ų | 63.9 | 45% | 0.451 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -123.6 | -3.4 | -174.6 | 62.6 | 170.9 | 0 | 0 | 0 | 114.4 | L193 I251 | L193-I197 HydrophobicContact CD1-CD1 3.72Å; L193-I197 HydrophobicContact CD1-CG1 3.87Å; L193-I197 HydrophobicContact CD2-CD1 4.19Å; L193-I197 HydrophobicContact CG-CD1 3.86Å; L193-I197 HydrophobicContact CG-CG1 3.91Å; L193-I197 WeakPolarHBondContact O-CG1 3.39Å; L193-I197 PolarHBondContact O-N 2.75Å; I197-I251 HydrophobicContact CG2-CG1 4.19Å |
| 198 | G | 83.4 | Confident | 88.5 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -89 | -172.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G194 N200 R201 | G194-G198 CarbonylContact O-C 3.57Å; G194-G198 WeakPolarHBondContact O-CA 3.43Å; G194-G198 PolarHBondContact O-N 3.39Å; G198-N200 PolarHBondContact O-N 2.92Å; G198-R201 WeakPolarHBondContact O-CB 3.47Å; G198-R201 PolarHBondContact O-N 2.9Å |
| 199 | T | 83.5 | Confident | 88.4 | Confident | 144 Ų | 144 | 59.3 Ų | 59.3 | 88% | 0.883 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.4 | 178.7 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 200 | N | 84 | Confident | 88.1 | Confident | 123 Ų | 123 | 60 Ų | 60 | 66% | 0.658 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 28 | -179.3 | -64.1 | -25.9 | 0 | 0 | 0 | 112.2 | L195 G198 I202 | L195-N200 HydrophobicContact CD2-CB 4.43Å; G198-N200 PolarHBondContact O-N 2.92Å; N200-I202 PolarHBondContact O-N 3.32Å |
| 201 | R | 86.1 | Confident | 88.1 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | trans | -56.2 | 132.4 | -175.3 | 177.3 | 177.3 | 168.1 | -171.9 | -16 | 112.4 | L195 V196 G198 T255 L256 | L195-R201 CarbonylContact O-C 3.18Å; L195-R201 VanDerWaalsContact O-CA 3.29Å; L195-R201 WeakPolarHBondContact O-CA 3.5Å; V196-R201 WeakPolarHBondContact O-CD 3.46Å; V196-R201 WeakPolarHBondContact O-CG 3.45Å; G198-R201 WeakPolarHBondContact O-CB 3.47Å; G198-R201 PolarHBondContact O-N 2.9Å; R201-T255 PolarHBondContact NH1-O 3.4Å; R201-T255 PolarHBondContact NH2-O 3.03Å; R201-L256 VanDerWaalsContact NH2-CA 3.28Å | ||
| 202 | I | 86.3 | Confident | 88.1 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | trans | -77.2 | 130 | 173.8 | -64.1 | -179.5 | 0 | 0 | 0 | 109.6 | L144 L195 N200 D204 R207 V211 | L144-I202 HydrophobicContact CD1-CD1 4.1Å; L195-I202 HydrophobicContact CB-CD1 4.21Å; L195-I202 HydrophobicContact CB-CG1 4.25Å; L195-I202 HydrophobicContact CD1-CD1 4.18Å; L195-I202 HydrophobicContact CD2-CD1 4.29Å; L195-I202 HydrophobicContact CD2-CG1 4.2Å; L195-I202 HydrophobicContact CG-CD1 4.46Å; L195-I202 PolarHBondContact O-N 2.77Å; N200-I202 PolarHBondContact O-N 3.32Å; I202-D204 HydrophobicContact CG2-CB 4.15Å; I202-D204 WeakPolarHBondContact CG2-O 3.39Å; I202-R207 HydrophobicContact CD1-CB 4.35Å; I202-R207 HydrophobicContact CG2-CB 3.8Å; I202-V211 HydrophobicContact CD1-CG2 3.94Å | ||
| 203 | S | 83.5 | Confident | 88.2 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 86% | 0.86 | 31% | 0.308 | S | S | * | . | trans | -96.4 | -16.3 | 175.5 | 59 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 204 | D | 86.2 | Confident | 88.2 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | trans | -77.5 | 120.3 | 177.8 | 177.7 | 69.3 | 0 | 0 | 0 | 110.8 | I202 S206 R207 L208 | I202-D204 HydrophobicContact CG2-CB 4.15Å; I202-D204 WeakPolarHBondContact CG2-O 3.39Å; D204-S206 VanDerWaalsContact C-N 3.33Å; D204-S206 PolarHBondContact O-N 2.9Å; D204-S206 WeakPolarHBondContact OD2-CB 3.24Å; D204-S206 PolarHBondContact OD2-N 3.01Å; D204-R207 HydrophobicContact CB-CB 4.3Å; D204-R207 HydrophobicContact CB-CG 4.48Å; D204-R207 PolarHBondContact O-N 3.37Å; D204-R207 WeakPolarHBondContact OD2-CB 3.5Å; D204-R207 VanDerWaalsContact OD2-CG 3.29Å; D204-R207 WeakPolarHBondContact OD2-CG 3.41Å; D204-R207 PolarHBondContact OD2-N 3.32Å; D204-L208 WeakPolarHBondContact O-CB 3.49Å; D204-L208 PolarHBondContact O-N 3.24Å | ||
| 205 | A | 84.1 | Confident | 88.4 | Confident | 38 Ų | 38 | 51 Ų | 51 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L208 T209 | A205-L208 PolarHBondContact O-N 3.05Å; A205-T209 PolarHBondContact O-N 2.65Å; A205-T209 PolarHBondContact O-OG1 3.34Å |
| 206 | S | 84.1 | Confident | 88.6 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 59% | 0.594 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.5 | -48.6 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | D204 L208 T209 T210 | D204-S206 VanDerWaalsContact C-N 3.33Å; D204-S206 PolarHBondContact O-N 2.9Å; D204-S206 WeakPolarHBondContact OD2-CB 3.24Å; D204-S206 PolarHBondContact OD2-N 3.01Å; S206-L208 VanDerWaalsContact C-N 3.34Å; S206-L208 PolarHBondContact O-N 2.98Å; S206-T209 WeakPolarHBondContact O-CB 3.01Å; S206-T209 PolarHBondContact O-N 3.06Å; S206-T210 PolarHBondContact O-N 3.47Å; S206-T210 PolarHBondContact O-OG1 3.18Å |
| 207 | R | 87.9 | Confident | 88.9 | Confident | 128 Ų | 128 | 50 Ų | 50 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 175.3 | -71 | -179.6 | 70.7 | -169.4 | 2 | 112.3 | L144 I202 D204 T209 T210 V211 | L144-R207 HydrophobicContact CD1-CB 4.17Å; I202-R207 HydrophobicContact CD1-CB 4.35Å; I202-R207 HydrophobicContact CG2-CB 3.8Å; D204-R207 HydrophobicContact CB-CB 4.3Å; D204-R207 HydrophobicContact CB-CG 4.48Å; D204-R207 PolarHBondContact O-N 3.37Å; D204-R207 WeakPolarHBondContact OD2-CB 3.5Å; D204-R207 VanDerWaalsContact OD2-CG 3.29Å; D204-R207 WeakPolarHBondContact OD2-CG 3.41Å; D204-R207 PolarHBondContact OD2-N 3.32Å; R207-T209 VanDerWaalsContact C-N 3.32Å; R207-T210 PolarHBondContact O-N 2.99Å; R207-V211 WeakPolarHBondContact O-CG2 3.29Å; R207-V211 PolarHBondContact O-N 3.26Å |
| 208 | L | 89.2 | Confident | 89.3 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 177 | -174.5 | 56.7 | 0 | 0 | 0 | 111.3 | V196 D204 A205 S206 T210 V211 L212 L256 L258 | V196-L208 HydrophobicContact CG1-CD1 4.43Å; V196-L208 HydrophobicContact CG2-CD1 3.97Å; D204-L208 WeakPolarHBondContact O-CB 3.49Å; D204-L208 PolarHBondContact O-N 3.24Å; A205-L208 PolarHBondContact O-N 3.05Å; S206-L208 VanDerWaalsContact C-N 3.34Å; S206-L208 PolarHBondContact O-N 2.98Å; L208-T210 VanDerWaalsContact C-N 3.33Å; L208-T210 PolarHBondContact O-N 3.32Å; L208-V211 WeakPolarHBondContact O-CB 3.46Å; L208-V211 PolarHBondContact O-N 2.88Å; L208-V211 VanDerWaalsContact O-N 3.17Å; L208-L212 HydrophobicContact CG-CD1 4.42Å; L208-L212 WeakPolarHBondContact O-CG 3.05Å; L208-L212 PolarHBondContact O-N 3.37Å; L208-L256 HydrophobicContact CD2-CB 3.99Å; L208-L256 HydrophobicContact CD2-CD1 4.37Å; L208-L256 HydrophobicContact CD2-CD2 4.28Å; L208-L256 HydrophobicContact CD2-CG 4.44Å; L208-L258 HydrophobicContact CB-CD2 4.31Å; L208-L258 HydrophobicContact CD2-CD1 4.36Å; L208-L258 HydrophobicContact CD2-CD2 3.76Å; L208-L258 HydrophobicContact CD2-CG 4.1Å; L208-L258 HydrophobicContact CG-CD2 4.06Å |
| 209 | T | 89.4 | Confident | 90 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.8 | -46.1 | 171.1 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | A205 S206 R207 V211 L212 Q213 N265 L270 | A205-T209 PolarHBondContact O-N 2.65Å; A205-T209 PolarHBondContact O-OG1 3.34Å; S206-T209 WeakPolarHBondContact O-CB 3.01Å; S206-T209 PolarHBondContact O-N 3.06Å; R207-T209 VanDerWaalsContact C-N 3.32Å; T209-V211 VanDerWaalsContact C-N 3.35Å; T209-V211 PolarHBondContact O-N 2.85Å; T209-L212 PolarHBondContact O-N 3.26Å; T209-Q213 WeakPolarHBondContact O-CG 3.3Å; T209-Q213 PolarHBondContact O-N 3.45Å; T209-N265 WeakPolarHBondContact CG2-O 3.34Å; T209-L270 HydrophobicContact CG2-CD1 3.65Å |
| 210 | T | 89.3 | Confident | 90.6 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.4 | -45 | 0 | 0 | 0 | 0 | 112.6 | L144 H148 S206 R207 L208 L212 Q213 C214 | L144-T210 HydrophobicContact CB-CG2 3.67Å; H148-T210 HydrophobicContact CB-CG2 4.4Å; S206-T210 PolarHBondContact O-N 3.47Å; S206-T210 PolarHBondContact O-OG1 3.18Å; R207-T210 PolarHBondContact O-N 2.99Å; L208-T210 VanDerWaalsContact C-N 3.33Å; L208-T210 PolarHBondContact O-N 3.32Å; T210-L212 VanDerWaalsContact C-N 3.35Å; T210-Q213 PolarHBondContact O-N 3.13Å; T210-C214 PolarHBondContact O-N 3.19Å; T210-C214 PolarHBondContact O-SG 2.86Å |
| 211 | V | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.2 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | L144 L192 L195 V196 I202 R207 L208 T209 C214 L215 | L144-V211 HydrophobicContact CD1-CG2 3.72Å; L144-V211 HydrophobicContact CD2-CG2 3.85Å; L144-V211 HydrophobicContact CG-CG2 4.43Å; L192-V211 HydrophobicContact CB-CG1 4.36Å; L192-V211 HydrophobicContact CD2-CG1 4.15Å; L195-V211 HydrophobicContact CB-CG1 4.43Å; L195-V211 HydrophobicContact CB-CG2 4.45Å; L195-V211 HydrophobicContact CD1-CG2 4.17Å; V196-V211 HydrophobicContact CG2-CG1 3.57Å; I202-V211 HydrophobicContact CD1-CG2 3.94Å; R207-V211 WeakPolarHBondContact O-CG2 3.29Å; R207-V211 PolarHBondContact O-N 3.26Å; L208-V211 WeakPolarHBondContact O-CB 3.46Å; L208-V211 PolarHBondContact O-N 2.88Å; L208-V211 VanDerWaalsContact O-N 3.17Å; T209-V211 VanDerWaalsContact C-N 3.35Å; T209-V211 PolarHBondContact O-N 2.85Å; V211-C214 WeakPolarHBondContact O-CB 3.36Å; V211-C214 PolarHBondContact O-N 3.45Å; V211-L215 HydrophobicContact CG1-CD1 4.14Å; V211-L215 HydrophobicContact CG1-CG 4.48Å; V211-L215 WeakPolarHBondContact O-CG 3.49Å; V211-L215 PolarHBondContact O-N 2.79Å |
| 212 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.1 | -68.1 | 169.4 | 0 | 0 | 0 | 112 | L208 T209 T210 C214 L215 L216 L258 L270 V271 I274 | L208-L212 HydrophobicContact CG-CD1 4.42Å; L208-L212 WeakPolarHBondContact O-CG 3.05Å; L208-L212 PolarHBondContact O-N 3.37Å; T209-L212 PolarHBondContact O-N 3.26Å; T210-L212 VanDerWaalsContact C-N 3.35Å; L212-C214 VanDerWaalsContact C-N 3.27Å; L212-C214 PolarHBondContact O-N 3.28Å; L212-L215 HydrophobicContact CD2-CD1 4.4Å; L212-L215 PolarHBondContact O-N 2.82Å; L212-L216 PolarHBondContact O-N 2.86Å; L212-L258 HydrophobicContact CD1-CD1 3.63Å; L212-L270 HydrophobicContact CB-CB 3.91Å; L212-L270 HydrophobicContact CB-CD1 4.04Å; L212-L270 HydrophobicContact CD1-CB 4.4Å; L212-V271 HydrophobicContact CD1-CG2 3.94Å; L212-V271 HydrophobicContact CD2-CG2 3.98Å; L212-I274 HydrophobicContact CB-CD1 4.12Å; L212-I274 HydrophobicContact CD2-CD1 3.7Å |
| 213 | Q | 92.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 30.5 Ų | 30.5 | 17% | 0.168 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.8 | -41.8 | 172.1 | -69.2 | 171.7 | -34.5 | 0 | 0 | 111.4 | T209 T210 L216 L217 N265 L270 | T209-Q213 WeakPolarHBondContact O-CG 3.3Å; T209-Q213 PolarHBondContact O-N 3.45Å; T210-Q213 PolarHBondContact O-N 3.13Å; Q213-L216 PolarHBondContact O-N 3.29Å; Q213-L217 WeakPolarHBondContact O-CG 3.49Å; Q213-L217 PolarHBondContact O-N 3.05Å; Q213-L217 VanDerWaalsContact O-N 3.16Å; Q213-N265 PolarHBondContact NE2-OD1 2.68Å; Q213-L270 HydrophobicContact CG-CD1 3.65Å; Q213-L270 HydrophobicContact CG-CD2 3.91Å; Q213-L270 HydrophobicContact CG-CG 4.46Å |
| 214 | C | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 175.2 | -65.6 | 0 | 0 | 0 | 0 | 112 | L151 L192 T210 V211 L212 L216 L217 V218 | L151-C214 HydrophobicContact CD1-CB 3.68Å; L192-C214 HydrophobicContact CD1-CB 3.67Å; L192-C214 HydrophobicContact CD2-CB 4.18Å; T210-C214 PolarHBondContact O-N 3.19Å; T210-C214 PolarHBondContact O-SG 2.86Å; V211-C214 WeakPolarHBondContact O-CB 3.36Å; V211-C214 PolarHBondContact O-N 3.45Å; L212-C214 VanDerWaalsContact C-N 3.27Å; L212-C214 PolarHBondContact O-N 3.28Å; C214-L216 VanDerWaalsContact C-N 3.31Å; C214-L216 PolarHBondContact O-N 2.67Å; C214-L217 PolarHBondContact O-N 3.38Å; C214-L217 VanDerWaalsContact O-N 3.16Å; C214-V218 WeakPolarHBondContact O-CG2 3.27Å; C214-V218 PolarHBondContact O-N 2.81Å |
| 215 | L | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.4 | -39.4 | 178.2 | -75 | 170.1 | 0 | 0 | 0 | 112.4 | L192 V196 V211 L212 V218 C219 F244 L248 I274 | L192-L215 HydrophobicContact CB-CD2 3.68Å; L192-L215 HydrophobicContact CB-CG 4.08Å; L192-L215 HydrophobicContact CD1-CD2 4.41Å; V196-L215 HydrophobicContact CG2-CD1 3.76Å; V211-L215 HydrophobicContact CG1-CD1 4.14Å; V211-L215 HydrophobicContact CG1-CG 4.48Å; V211-L215 WeakPolarHBondContact O-CG 3.49Å; V211-L215 PolarHBondContact O-N 2.79Å; L212-L215 HydrophobicContact CD2-CD1 4.4Å; L212-L215 PolarHBondContact O-N 2.82Å; L215-V218 WeakPolarHBondContact O-CB 3.43Å; L215-V218 PolarHBondContact O-N 3.42Å; L215-C219 PolarHBondContact O-N 3.41Å; L215-C219 PolarHBondContact O-SG 3.42Å; L215-F244 HydrophobicContact CD2-CE2 3.77Å; L215-F244 HydrophobicContact CD2-CZ 3.74Å; L215-L248 HydrophobicContact CD1-CD2 4.15Å; L215-L248 HydrophobicContact CD2-CD2 4.48Å; L215-I274 HydrophobicContact CB-CD1 3.94Å |
| 216 | L | 96.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 6% | 0.058 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.2 | 179.6 | 60.8 | 0 | 0 | 0 | 111.5 | L212 Q213 C214 C219 K220 L270 Q273 I274 Q277 | L212-L216 PolarHBondContact O-N 2.86Å; Q213-L216 PolarHBondContact O-N 3.29Å; C214-L216 VanDerWaalsContact C-N 3.31Å; C214-L216 PolarHBondContact O-N 2.67Å; L216-C219 PolarHBondContact O-N 2.88Å; L216-K220 HydrophobicContact CG-CD 4.35Å; L216-K220 WeakPolarHBondContact O-CG 3.42Å; L216-K220 PolarHBondContact O-N 3.21Å; L216-L270 HydrophobicContact CD2-CD2 4.2Å; L216-Q273 HydrophobicContact CD1-CB 4.02Å; L216-Q273 HydrophobicContact CD2-CB 4.06Å; L216-I274 HydrophobicContact CB-CG1 3.84Å; L216-I274 HydrophobicContact CD1-CG1 4.23Å; L216-Q277 HydrophobicContact CD1-CB 4.15Å |
| 217 | L | 96.1 | Very high | 94.6 | Very high | 13 Ų | 13 | 16.1 Ų | 16.1 | 7% | 0.068 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 177 | -70.3 | 167.9 | 0 | 0 | 0 | 111.9 | L151 H155 Q213 C214 C219 K220 I221 | L151-L217 HydrophobicContact CB-CB 3.88Å; L151-L217 HydrophobicContact CB-CD1 3.82Å; L151-L217 HydrophobicContact CB-CG 4.49Å; L151-L217 HydrophobicContact CD1-CB 4.48Å; H155-L217 HydrophobicContact CB-CD2 3.93Å; Q213-L217 WeakPolarHBondContact O-CG 3.49Å; Q213-L217 PolarHBondContact O-N 3.05Å; Q213-L217 VanDerWaalsContact O-N 3.16Å; C214-L217 PolarHBondContact O-N 3.38Å; C214-L217 VanDerWaalsContact O-N 3.16Å; L217-C219 VanDerWaalsContact C-N 3.34Å; L217-C219 PolarHBondContact O-N 3.14Å; L217-K220 PolarHBondContact O-N 3.16Å; L217-I221 WeakPolarHBondContact O-CB 3.12Å; L217-I221 WeakPolarHBondContact O-CD1 3.36Å; L217-I221 VanDerWaalsContact O-CG1 3.25Å; L217-I221 WeakPolarHBondContact O-CG1 3.34Å; L217-I221 PolarHBondContact O-N 3.42Å |
| 218 | V | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | L151 L185 A189 L192 C214 L215 K220 I221 F222 W241 F244 | L151-V218 HydrophobicContact CD1-CG2 4.01Å; L151-V218 HydrophobicContact CD2-CG2 4.15Å; L185-V218 HydrophobicContact CD1-CB 4.43Å; L185-V218 HydrophobicContact CD1-CG1 4.16Å; L185-V218 HydrophobicContact CD1-CG2 3.95Å; A189-V218 HydrophobicContact CB-CG1 3.85Å; L192-V218 HydrophobicContact CD1-CG2 4.19Å; C214-V218 WeakPolarHBondContact O-CG2 3.27Å; C214-V218 PolarHBondContact O-N 2.81Å; L215-V218 WeakPolarHBondContact O-CB 3.43Å; L215-V218 PolarHBondContact O-N 3.42Å; V218-K220 VanDerWaalsContact C-N 3.34Å; V218-K220 PolarHBondContact O-N 3.24Å; V218-I221 PolarHBondContact O-N 2.76Å; V218-F222 WeakPolarHBondContact O-CB 3.05Å; V218-F222 PolarHBondContact O-N 3.34Å; V218-W241 HydrophobicContact CG1-CH2 3.95Å; V218-W241 HydrophobicContact CG1-CZ3 3.96Å; V218-F244 HydrophobicContact CG1-CE1 4.43Å; V218-F244 HydrophobicContact CG1-CZ 4.22Å |
| 219 | C | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 178.9 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | L215 L216 L217 F222 L223 Q277 N281 | L215-C219 PolarHBondContact O-N 3.41Å; L215-C219 PolarHBondContact O-SG 3.42Å; L216-C219 PolarHBondContact O-N 2.88Å; L217-C219 VanDerWaalsContact C-N 3.34Å; L217-C219 PolarHBondContact O-N 3.14Å; C219-F222 PolarHBondContact O-N 3.5Å; C219-L223 PolarHBondContact O-N 3.16Å; C219-Q277 HydrophobicContact CB-CB 4.24Å; C219-Q277 HydrophobicContact CB-CG 3.57Å; C219-N281 PolarHBondContact O-ND2 3.21Å |
| 220 | K | 97.8 | Very high | 95.3 | Very high | 58 Ų | 58 | 14.9 Ų | 14.9 | 25% | 0.252 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -67.6 | -39.8 | 175.8 | -74.7 | 176.3 | 177.1 | 178.4 | 0 | 112.5 | R162 L216 L217 V218 L223 S224 Q277 | R162-K220 PolarHBondContact NH2-O 2.86Å; L216-K220 HydrophobicContact CG-CD 4.35Å; L216-K220 WeakPolarHBondContact O-CG 3.42Å; L216-K220 PolarHBondContact O-N 3.21Å; L217-K220 PolarHBondContact O-N 3.16Å; V218-K220 VanDerWaalsContact C-N 3.34Å; V218-K220 PolarHBondContact O-N 3.24Å; K220-L223 PolarHBondContact O-N 3.01Å; K220-S224 PolarHBondContact O-N 3.09Å; K220-S224 VanDerWaalsContact O-N 3.16Å; K220-S224 PolarHBondContact O-OG 3.46Å; K220-Q277 HydrophobicContact CG-CG 4Å; K220-Q277 VanDerWaalsContact CG-OE1 3.29Å |
| 221 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.6 | -73.2 | 162.8 | 0 | 0 | 0 | 109.9 | L151 A154 H155 F158 F181 L185 L217 V218 L223 S224 L225 | L151-I221 HydrophobicContact CB-CD1 4.37Å; L151-I221 HydrophobicContact CD2-CD1 3.75Å; A154-I221 HydrophobicContact CB-CD1 3.9Å; H155-I221 HydrophobicContact CB-CD1 4.36Å; H155-I221 HydrophobicContact CB-CG1 3.92Å; F158-I221 HydrophobicContact CD2-CG1 4.5Å; F158-I221 HydrophobicContact CD2-CG2 3.85Å; F158-I221 HydrophobicContact CE2-CG2 4.29Å; F181-I221 HydrophobicContact CE1-CG2 4.3Å; L185-I221 HydrophobicContact CD2-CG2 3.62Å; L217-I221 WeakPolarHBondContact O-CB 3.12Å; L217-I221 WeakPolarHBondContact O-CD1 3.36Å; L217-I221 VanDerWaalsContact O-CG1 3.25Å; L217-I221 WeakPolarHBondContact O-CG1 3.34Å; L217-I221 PolarHBondContact O-N 3.42Å; V218-I221 PolarHBondContact O-N 2.76Å; I221-L223 VanDerWaalsContact C-N 3.3Å; I221-L223 PolarHBondContact O-N 3.23Å; I221-S224 WeakPolarHBondContact O-CB 3.3Å; I221-S224 PolarHBondContact O-N 3.47Å; I221-L225 HydrophobicContact CG2-CD1 3.75Å; I221-L225 HydrophobicContact CG2-CG 4.12Å; I221-L225 WeakPolarHBondContact O-CG 3.38Å; I221-L225 PolarHBondContact O-N 2.87Å |
| 222 | F | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.1 | -48.3 | 175.8 | 180 | -85.4 | 0 | 0 | 0 | 111.4 | V218 C219 S224 L225 N226 F234 W241 F245 N281 Y285 | V218-F222 WeakPolarHBondContact O-CB 3.05Å; V218-F222 PolarHBondContact O-N 3.34Å; C219-F222 PolarHBondContact O-N 3.5Å; F222-S224 VanDerWaalsContact C-N 3.33Å; F222-S224 PolarHBondContact O-N 3.25Å; F222-L225 PolarHBondContact O-N 3.16Å; F222-N226 WeakPolarHBondContact O-CB 3.45Å; F222-N226 PolarHBondContact O-N 2.99Å; F222-N226 VanDerWaalsContact O-N 3.11Å; F222-N226 PolarHBondContact O-ND2 2.88Å; F222-F234 AromaticContact CD2-CD1 3.92Å; F222-F234 HydrophobicContact CD2-CD1 3.92Å; F222-F234 AromaticContact CD2-CE1 3.74Å; F222-F234 HydrophobicContact CD2-CE1 3.74Å; F222-F234 AromaticContact CE2-CD1 3.56Å; F222-F234 HydrophobicContact CE2-CD1 3.56Å; F222-F234 AromaticContact CE2-CE1 3.9Å; F222-F234 HydrophobicContact CE2-CE1 3.9Å; F222-F234 HydrophobicContact CE2-CG 4.38Å; F222-W241 HydrophobicContact CB-CZ3 4.49Å; F222-W241 AromaticContact CD2-CD2 3.64Å; F222-W241 HydrophobicContact CD2-CD2 3.64Å; F222-W241 AromaticContact CD2-CE2 3.95Å; F222-W241 AromaticContact CD2-CE3 3.56Å; F222-W241 HydrophobicContact CD2-CE3 3.56Å; F222-W241 HydrophobicContact CD2-CG 4.25Å; F222-W241 HydrophobicContact CD2-CH2 4.11Å; F222-W241 HydrophobicContact CD2-CZ2 4.18Å; F222-W241 AromaticContact CD2-CZ3 3.81Å; F222-W241 HydrophobicContact CD2-CZ3 3.81Å; F222-W241 HydrophobicContact CE2-CB 4.02Å; F222-W241 AromaticContact CE2-CD2 3.52Å; F222-W241 HydrophobicContact CE2-CD2 3.52Å; F222-W241 AromaticContact CE2-CE3 3.8Å; F222-W241 HydrophobicContact CE2-CE3 3.8Å; F222-W241 AromaticContact CE2-CG 3.62Å; F222-W241 HydrophobicContact CE2-CG 3.62Å; F222-W241 HydrophobicContact CE2-CZ3 4.49Å; F222-W241 HydrophobicContact CG-CE3 4.42Å; F222-W241 HydrophobicContact CG-CZ3 4.47Å; F222-W241 HydrophobicContact CZ-CB 4.46Å; F222-W241 HydrophobicContact CZ-CG 4.5Å; F222-F245 HydrophobicContact CB-CZ 4.26Å; F222-F245 AromaticContact CD1-CE2 3.91Å; F222-F245 HydrophobicContact CD1-CE2 3.91Å; F222-F245 AromaticContact CD1-CZ 3.54Å; F222-F245 HydrophobicContact CD1-CZ 3.54Å; F222-F245 HydrophobicContact CD2-CE2 4.38Å; F222-F245 AromaticContact CD2-CZ 3.97Å; F222-F245 HydrophobicContact CD2-CZ 3.97Å; F222-F245 AromaticContact CE1-CE2 3.58Å; F222-F245 HydrophobicContact CE1-CE2 3.58Å; F222-F245 AromaticContact CE1-CZ 3.75Å; F222-F245 HydrophobicContact CE1-CZ 3.75Å; F222-F245 HydrophobicContact CE2-CE2 4.09Å; F222-F245 HydrophobicContact CE2-CZ 4.16Å; F222-F245 HydrophobicContact CG-CE2 4.29Å; F222-F245 AromaticContact CG-CZ 3.66Å; F222-F245 HydrophobicContact CG-CZ 3.66Å; F222-F245 AromaticContact CZ-CE2 3.67Å; F222-F245 HydrophobicContact CZ-CE2 3.67Å; F222-F245 HydrophobicContact CZ-CZ 4.04Å; F222-N281 HydrophobicContact CD1-CB 4.4Å; F222-Y285 HydrophobicContact CE1-CD2 4.31Å; F222-Y285 AromaticContact CE1-CE2 3.5Å; F222-Y285 HydrophobicContact CE1-CE2 3.5Å; F222-Y285 VanDerWaalsContact CE1-CE2 3.5Å; F222-Y285 AromaticContact CE1-CZ 3.8Å; F222-Y285 HydrophobicContact CZ-CE1 4.38Å; F222-Y285 AromaticContact CZ-CE2 3.77Å; F222-Y285 HydrophobicContact CZ-CE2 3.77Å; F222-Y285 AromaticContact CZ-CZ 3.53Å; F222-Y285 WeakPolarHBondContact CZ-OH 3.46Å |
| 223 | L | 97 | Very high | 95.8 | Very high | 24 Ų | 24 | 24.5 Ų | 24.5 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.3 | -47.7 | 176 | -172.1 | 68.2 | 0 | 0 | 0 | 111.6 | C219 K220 I221 L225 N226 C227 N281 L284 | C219-L223 PolarHBondContact O-N 3.16Å; K220-L223 PolarHBondContact O-N 3.01Å; I221-L223 VanDerWaalsContact C-N 3.3Å; I221-L223 PolarHBondContact O-N 3.23Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.39Å; L223-N226 CarbonylContact O-C 3.55Å; L223-N226 PolarHBondContact O-N 3.09Å; L223-C227 VanDerWaalsContact O-CB 3.31Å; L223-C227 WeakPolarHBondContact O-CB 3.34Å; L223-C227 PolarHBondContact O-N 3.21Å; L223-N281 WeakPolarHBondContact CB-OD1 3.42Å; L223-L284 HydrophobicContact CD1-CB 4.09Å; L223-L284 HydrophobicContact CD1-CD2 3.54Å; L223-L284 HydrophobicContact CD1-CG 4.42Å |
| 224 | S | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | -178.9 | -64.5 | 0 | 0 | 0 | 0 | 113 | F158 K159 R162 K220 I221 F222 N226 C227 | F158-S224 WeakPolarHBondContact O-CB 3.29Å; K159-S224 WeakPolarHBondContact CA-OG 3.31Å; R162-S224 PolarHBondContact NE-OG 2.73Å; R162-S224 PolarHBondContact NH2-OG 3.26Å; R162-S224 VanDerWaalsContact NH2-OG 3.16Å; K220-S224 PolarHBondContact O-N 3.09Å; K220-S224 VanDerWaalsContact O-N 3.16Å; K220-S224 PolarHBondContact O-OG 3.46Å; I221-S224 WeakPolarHBondContact O-CB 3.3Å; I221-S224 PolarHBondContact O-N 3.47Å; F222-S224 VanDerWaalsContact C-N 3.33Å; F222-S224 PolarHBondContact O-N 3.25Å; S224-N226 VanDerWaalsContact C-N 3.3Å; S224-C227 PolarHBondContact O-SG 3.43Å |
| 225 | L | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -76 | -18.9 | 179.7 | -64.1 | 179.2 | 0 | 0 | 0 | 113.2 | F158 Y161 M174 V177 I178 L185 I221 F222 L223 F234 | F158-L225 HydrophobicContact CB-CD2 4.26Å; F158-L225 HydrophobicContact CD1-CD2 4.48Å; F158-L225 HydrophobicContact CD2-CD2 3.95Å; F158-L225 HydrophobicContact CD2-CG 4.37Å; F158-L225 HydrophobicContact CE2-CD2 4.41Å; F158-L225 HydrophobicContact CG-CD2 3.98Å; Y161-L225 HydrophobicContact CD2-CD2 4.41Å; Y161-L225 HydrophobicContact CE2-CD2 4.06Å; M174-L225 WeakPolarHBondContact CE-O 2.94Å; V177-L225 HydrophobicContact CG1-CD2 4.19Å; I178-L225 HydrophobicContact CG1-CD2 4.2Å; L185-L225 HydrophobicContact CD2-CD1 4.21Å; I221-L225 HydrophobicContact CG2-CD1 3.75Å; I221-L225 HydrophobicContact CG2-CG 4.12Å; I221-L225 WeakPolarHBondContact O-CG 3.38Å; I221-L225 PolarHBondContact O-N 2.87Å; F222-L225 PolarHBondContact O-N 3.16Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.39Å; L225-F234 HydrophobicContact CB-CE2 3.88Å; L225-F234 HydrophobicContact CB-CZ 4.14Å; L225-F234 HydrophobicContact CD1-CE2 4.22Å; L225-F234 HydrophobicContact CD1-CZ 3.89Å |
| 226 | N | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -111.6 | 1 | -178.5 | -70.2 | -92.2 | 0 | 0 | 0 | 113.5 | F222 L223 S224 D229 P231 F234 L284 Y285 Y289 | F222-N226 WeakPolarHBondContact O-CB 3.45Å; F222-N226 PolarHBondContact O-N 2.99Å; F222-N226 VanDerWaalsContact O-N 3.11Å; F222-N226 PolarHBondContact O-ND2 2.88Å; L223-N226 CarbonylContact O-C 3.55Å; L223-N226 PolarHBondContact O-N 3.09Å; S224-N226 VanDerWaalsContact C-N 3.3Å; N226-D229 CarbonylContact C-O 3.27Å; N226-P231 VanDerWaalsContact OD1-CD 3.24Å; N226-P231 WeakPolarHBondContact OD1-CD 3.48Å; N226-F234 WeakPolarHBondContact OD1-CB 3.25Å; N226-L284 HydrophobicContact CB-CD2 4.41Å; N226-Y285 HydrophobicContact CB-CE2 3.93Å; N226-Y285 VanDerWaalsContact CG-OH 3.32Å; N226-Y285 PolarHBondContact OD1-OH 3.46Å; N226-Y289 VanDerWaalsContact O-CE2 3.26Å; N226-Y289 WeakPolarHBondContact O-CE2 3.32Å; N226-Y289 PolarHBondContact O-OH 3.29Å |
| 227 | C | 93.8 | Very high | 96.2 | Very high | 22 Ų | 22 | 34.6 Ų | 34.6 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -72.2 | -31.7 | -174.6 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | R162 L223 S224 K288 | R162-C227 HydrophobicContact CG-CB 4.38Å; L223-C227 VanDerWaalsContact O-CB 3.31Å; L223-C227 WeakPolarHBondContact O-CB 3.34Å; L223-C227 PolarHBondContact O-N 3.21Å; S224-C227 PolarHBondContact O-SG 3.43Å; C227-K288 PolarHBondContact O-NZ 3.28Å |
| 228 | Q | 93.2 | Very high | 96.2 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -87 | -38.9 | -175.8 | -72.7 | -69 | -16.1 | 0 | 0 | 113.3 | Y161 E164 L170 Y171 M174 K288 | Y161-Q228 PolarHBondContact O-NE2 3.23Å; E164-Q228 PolarHBondContact O-NE2 2.86Å; L170-Q228 HydrophobicContact CD2-CG 4.11Å; Y171-Q228 HydrophobicContact CE1-CB 4.12Å; M174-Q228 HydrophobicContact CE-CB 4.08Å; M174-Q228 HydrophobicContact CE-CG 4.39Å; M174-Q228 HydrophobicContact SD-CB 3.91Å; M174-Q228 HydrophobicContact SD-CG 3.94Å; Q228-K288 PolarHBondContact O-NZ 3.32Å |
| 229 | D | 93.2 | Very high | 96.2 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -158.7 | 170.7 | 175.8 | -156.7 | -0 | 0 | 0 | 0 | 109.4 | Y171 N226 P231 Y289 | Y171-D229 HydrophobicContact CE1-CB 4.25Å; N226-D229 CarbonylContact C-O 3.27Å; D229-P231 VanDerWaalsContact O-CD 3.22Å; D229-P231 WeakPolarHBondContact O-CD 3.27Å; D229-Y289 WeakPolarHBondContact CA-OH 3.37Å; D229-Y289 PolarHBondContact N-OH 3.02Å; D229-Y289 PolarHBondContact O-OH 3.46Å; D229-Y289 VanDerWaalsContact O-OH 3.1Å |
| 230 | L | 95.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | trans | -87.9 | 106.4 | 169.6 | 178.3 | 61.1 | 0 | 0 | 0 | 108.8 | F234 E235 M238 Y285 Y289 E292 | L230-F234 HydrophobicContact CD1-CB 4.29Å; L230-E235 HydrophobicContact CD2-CB 4.03Å; L230-E235 HydrophobicContact CD2-CG 4.05Å; L230-E235 HydrophobicContact CG-CB 4.11Å; L230-M238 HydrophobicContact CD1-CE 4.39Å; L230-M238 HydrophobicContact CD2-CE 3.92Å; L230-Y285 HydrophobicContact CD1-CE1 4.03Å; L230-Y285 WeakPolarHBondContact CD1-OH 3.4Å; L230-Y289 HydrophobicContact CB-CD1 3.58Å; L230-Y289 HydrophobicContact CB-CD2 4.18Å; L230-Y289 HydrophobicContact CB-CE1 3.69Å; L230-Y289 HydrophobicContact CB-CE2 4.28Å; L230-Y289 HydrophobicContact CB-CG 3.85Å; L230-Y289 HydrophobicContact CD1-CD2 4.43Å; L230-Y289 HydrophobicContact CD2-CG 4.35Å; L230-Y289 HydrophobicContact CG-CG 4.5Å; L230-Y289 VanDerWaalsContact N-CE1 3.31Å; L230-Y289 PolarHBondContact N-OH 3.03Å; L230-E292 HydrophobicContact CD2-CB 4.19Å; L230-E292 HydrophobicContact CD2-CG 3.95Å | ||
| 231 | P | 94.7 | Very high | 96.1 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 16% | 0.156 | 21% | 0.206 | C | C | . | . | trans | -75.2 | 140.5 | -179.6 | -14.4 | 32.7 | 0 | 0 | 0 | 111 | I178 N226 D229 F233 F234 E235 | I178-P231 HydrophobicContact CD1-CB 3.74Å; I178-P231 HydrophobicContact CD1-CG 3.49Å; I178-P231 VanDerWaalsContact CD1-CG 3.49Å; I178-P231 HydrophobicContact CG2-CB 4.3Å; N226-P231 VanDerWaalsContact OD1-CD 3.24Å; N226-P231 WeakPolarHBondContact OD1-CD 3.48Å; D229-P231 VanDerWaalsContact O-CD 3.22Å; D229-P231 WeakPolarHBondContact O-CD 3.27Å; P231-F233 PolarHBondContact O-N 2.88Å; P231-F234 HydrophobicContact CB-CD2 4.06Å; P231-F234 HydrophobicContact CG-CD2 3.81Å; P231-F234 HydrophobicContact CG-CE2 4.4Å; P231-F234 PolarHBondContact O-N 3.16Å; P231-E235 PolarHBondContact O-N 3.39Å; P231-E235 VanDerWaalsContact O-N 3.1Å | ||
| 232 | E | 95 | Very high | 96.1 | Very high | 140 Ų | 140 | 41.1 Ų | 41.1 | 65% | 0.654 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -43.2 | -44.3 | 179.3 | -175.5 | -179.7 | -171.6 | 0 | 0 | 113.1 | F234 E235 D236 | E232-F234 PolarHBondContact O-N 3.07Å; E232-E235 WeakPolarHBondContact O-CB 3.32Å; E232-E235 PolarHBondContact O-N 2.98Å; E232-D236 WeakPolarHBondContact O-CB 3.4Å; E232-D236 PolarHBondContact O-N 3.47Å |
| 233 | F | 96.6 | Very high | 96 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 23% | 0.232 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -42.9 | 177.5 | 177.8 | -91.5 | 0 | 0 | 0 | 113.6 | I178 G182 A183 T186 P231 N237 | I178-F233 HydrophobicContact CG2-CB 4.03Å; G182-F233 VanDerWaalsContact C-CZ 3.41Å; G182-F233 WeakPolarHBondContact O-CE1 3.44Å; A183-F233 HydrophobicContact CB-CE2 3.91Å; A183-F233 HydrophobicContact CB-CZ 4Å; T186-F233 WeakPolarHBondContact OG1-CE1 3.38Å; P231-F233 PolarHBondContact O-N 2.88Å; F233-N237 WeakPolarHBondContact CE2-ND2 3.49Å; F233-N237 WeakPolarHBondContact O-CB 3.43Å; F233-N237 PolarHBondContact O-N 3.44Å; F233-N237 VanDerWaalsContact O-N 3.15Å; F233-N237 PolarHBondContact O-ND2 3.3Å |
| 234 | F | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -78.2 | -27.5 | -179.8 | -69.9 | -73.5 | 0 | 0 | 0 | 112.1 | I178 F222 L225 N226 L230 P231 E232 N237 M238 W241 | I178-F234 HydrophobicContact CG1-CE2 4.35Å; I178-F234 HydrophobicContact CG2-CD2 4.49Å; I178-F234 HydrophobicContact CG2-CE2 4.1Å; F222-F234 AromaticContact CD2-CD1 3.92Å; F222-F234 HydrophobicContact CD2-CD1 3.92Å; F222-F234 AromaticContact CD2-CE1 3.74Å; F222-F234 HydrophobicContact CD2-CE1 3.74Å; F222-F234 AromaticContact CE2-CD1 3.56Å; F222-F234 HydrophobicContact CE2-CD1 3.56Å; F222-F234 AromaticContact CE2-CE1 3.9Å; F222-F234 HydrophobicContact CE2-CE1 3.9Å; F222-F234 HydrophobicContact CE2-CG 4.38Å; L225-F234 HydrophobicContact CB-CE2 3.88Å; L225-F234 HydrophobicContact CB-CZ 4.14Å; L225-F234 HydrophobicContact CD1-CE2 4.22Å; L225-F234 HydrophobicContact CD1-CZ 3.89Å; N226-F234 WeakPolarHBondContact OD1-CB 3.25Å; L230-F234 HydrophobicContact CD1-CB 4.29Å; P231-F234 HydrophobicContact CB-CD2 4.06Å; P231-F234 HydrophobicContact CG-CD2 3.81Å; P231-F234 HydrophobicContact CG-CE2 4.4Å; P231-F234 PolarHBondContact O-N 3.16Å; E232-F234 PolarHBondContact O-N 3.07Å; F234-N237 CarbonylContact O-C 3.58Å; F234-M238 VanDerWaalsContact O-CA 3.31Å; F234-M238 WeakPolarHBondContact O-CA 3.4Å; F234-M238 PolarHBondContact O-N 2.93Å; F234-W241 AromaticContact CD1-CD1 3.93Å; F234-W241 AromaticContact CD1-NE1 3.56Å; F234-W241 AromaticContact CE1-CE2 3.83Å; F234-W241 AromaticContact CE1-CZ2 3.91Å; F234-W241 HydrophobicContact CE1-CZ2 3.91Å; F234-W241 AromaticContact CE1-NE1 3.73Å |
| 235 | E | 96.6 | Very high | 96.1 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.2 | -52.1 | 169.5 | -170.5 | -179.2 | 167 | 0 | 0 | 110.8 | L230 P231 E232 N237 M238 E292 | L230-E235 HydrophobicContact CD2-CB 4.03Å; L230-E235 HydrophobicContact CD2-CG 4.05Å; L230-E235 HydrophobicContact CG-CB 4.11Å; P231-E235 PolarHBondContact O-N 3.39Å; P231-E235 VanDerWaalsContact O-N 3.1Å; E232-E235 WeakPolarHBondContact O-CB 3.32Å; E232-E235 PolarHBondContact O-N 2.98Å; E235-N237 VanDerWaalsContact C-N 3.26Å; E235-N237 PolarHBondContact O-N 3.43Å; E235-M238 WeakPolarHBondContact O-CB 3.48Å; E235-M238 PolarHBondContact O-N 3.05Å; E235-M238 VanDerWaalsContact O-N 3.1Å; E235-E292 HydrophobicContact CG-CG 4.49Å |
| 236 | D | 96.5 | Very high | 96.1 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 64% | 0.642 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.8 | -33.7 | 179 | -73.6 | -21.4 | 0 | 0 | 0 | 112.9 | E232 | E232-D236 WeakPolarHBondContact O-CB 3.4Å; E232-D236 PolarHBondContact O-N 3.47Å |
| 237 | N | 96.3 | Very high | 96 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 18.3 | -179.6 | -64.4 | -92.1 | 0 | 0 | 0 | 112.5 | F233 F234 E235 Q239 D240 W241 | F233-N237 WeakPolarHBondContact CE2-ND2 3.49Å; F233-N237 WeakPolarHBondContact O-CB 3.43Å; F233-N237 PolarHBondContact O-N 3.44Å; F233-N237 VanDerWaalsContact O-N 3.15Å; F233-N237 PolarHBondContact O-ND2 3.3Å; F234-N237 CarbonylContact O-C 3.58Å; E235-N237 VanDerWaalsContact C-N 3.26Å; E235-N237 PolarHBondContact O-N 3.43Å; N237-Q239 VanDerWaalsContact C-N 3.3Å; N237-Q239 PolarHBondContact O-N 3.44Å; N237-D240 PolarHBondContact O-N 3.04Å; N237-W241 PolarHBondContact O-N 2.99Å |
| 238 | M | 95.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -42.5 | -174 | -174.4 | 172.6 | -59.8 | 0 | 0 | 111.9 | L230 F234 E235 D240 W241 M242 Y285 E292 Y296 | L230-M238 HydrophobicContact CD1-CE 4.39Å; L230-M238 HydrophobicContact CD2-CE 3.92Å; F234-M238 VanDerWaalsContact O-CA 3.31Å; F234-M238 WeakPolarHBondContact O-CA 3.4Å; F234-M238 PolarHBondContact O-N 2.93Å; E235-M238 WeakPolarHBondContact O-CB 3.48Å; E235-M238 PolarHBondContact O-N 3.05Å; E235-M238 VanDerWaalsContact O-N 3.1Å; M238-D240 VanDerWaalsContact C-N 3.29Å; M238-D240 PolarHBondContact O-N 3.4Å; M238-W241 PolarHBondContact O-N 2.85Å; M238-M242 HydrophobicContact CG-CE 3.63Å; M238-M242 HydrophobicContact CG-CG 3.82Å; M238-M242 WeakPolarHBondContact O-CB 3.28Å; M238-M242 VanDerWaalsContact O-CG 3.25Å; M238-M242 WeakPolarHBondContact O-CG 3.23Å; M238-M242 PolarHBondContact O-N 3.02Å; M238-M242 HydrophobicContact SD-CE 4.34Å; M238-Y285 HydrophobicContact CE-CD1 4.42Å; M238-Y285 HydrophobicContact CE-CE1 3.97Å; M238-E292 HydrophobicContact CE-CB 3.57Å; M238-E292 HydrophobicContact SD-CB 4.18Å; M238-E292 VanDerWaalsContact SD-O 3.39Å; M238-Y296 HydrophobicContact CG-CD2 4.36Å; M238-Y296 HydrophobicContact CG-CE2 3.85Å; M238-Y296 HydrophobicContact SD-CD2 4.04Å; M238-Y296 HydrophobicContact SD-CE2 3.69Å |
| 239 | Q | 96.5 | Very high | 96.1 | Very high | 131 Ų | 131 | 47.4 Ų | 47.4 | 61% | 0.612 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -57.6 | -41.4 | 179.9 | -176.1 | 173.7 | -2.2 | 0 | 0 | 112.6 | N237 T243 Y296 | N237-Q239 VanDerWaalsContact C-N 3.3Å; N237-Q239 PolarHBondContact O-N 3.44Å; Q239-T243 WeakPolarHBondContact O-CB 3.5Å; Q239-T243 PolarHBondContact O-N 3.05Å; Q239-T243 PolarHBondContact O-OG1 3.31Å; Q239-Y296 HydrophobicContact CB-CE1 4.43Å; Q239-Y296 HydrophobicContact CG-CE1 4.48Å |
| 240 | D | 96.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 48.9 Ų | 48.9 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 178.6 | -77.8 | -24.6 | 0 | 0 | 0 | 111.1 | K190 N237 M238 T243 F244 | K190-D240 WeakPolarHBondContact CE-OD2 3.38Å; K190-D240 VanDerWaalsContact NZ-CG 3.29Å; K190-D240 IonicContact NZ-OD1 3.79Å; K190-D240 IonicContact NZ-OD2 3.39Å; K190-D240 PolarHBondContact NZ-OD2 3.46Å; N237-D240 PolarHBondContact O-N 3.04Å; M238-D240 VanDerWaalsContact C-N 3.29Å; M238-D240 PolarHBondContact O-N 3.4Å; D240-T243 PolarHBondContact O-N 3.16Å; D240-F244 VanDerWaalsContact O-CB 3.31Å; D240-F244 WeakPolarHBondContact O-CB 3.32Å; D240-F244 PolarHBondContact O-N 3.21Å |
| 241 | W | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 179.6 | -78.8 | 104.7 | 0 | 0 | 0 | 112.5 | L185 T186 A189 V218 F222 F234 N237 M238 F244 F245 | L185-W241 HydrophobicContact CD2-CH2 4.26Å; L185-W241 HydrophobicContact CD2-CZ2 4.44Å; L185-W241 HydrophobicContact CG-CH2 4.11Å; L185-W241 HydrophobicContact CG-CZ2 4.37Å; T186-W241 HydrophobicContact CG2-CZ2 4.31Å; T186-W241 WeakPolarHBondContact OG1-CZ2 3.48Å; T186-W241 PolarHBondContact OG1-NE1 3.39Å; A189-W241 HydrophobicContact CB-CH2 3.99Å; A189-W241 HydrophobicContact CB-CZ3 4.17Å; V218-W241 HydrophobicContact CG1-CH2 3.95Å; V218-W241 HydrophobicContact CG1-CZ3 3.96Å; F222-W241 HydrophobicContact CB-CZ3 4.49Å; F222-W241 AromaticContact CD2-CD2 3.64Å; F222-W241 HydrophobicContact CD2-CD2 3.64Å; F222-W241 AromaticContact CD2-CE2 3.95Å; F222-W241 AromaticContact CD2-CE3 3.56Å; F222-W241 HydrophobicContact CD2-CE3 3.56Å; F222-W241 HydrophobicContact CD2-CG 4.25Å; F222-W241 HydrophobicContact CD2-CH2 4.11Å; F222-W241 HydrophobicContact CD2-CZ2 4.18Å; F222-W241 AromaticContact CD2-CZ3 3.81Å; F222-W241 HydrophobicContact CD2-CZ3 3.81Å; F222-W241 HydrophobicContact CE2-CB 4.02Å; F222-W241 AromaticContact CE2-CD2 3.52Å; F222-W241 HydrophobicContact CE2-CD2 3.52Å; F222-W241 AromaticContact CE2-CE3 3.8Å; F222-W241 HydrophobicContact CE2-CE3 3.8Å; F222-W241 AromaticContact CE2-CG 3.62Å; F222-W241 HydrophobicContact CE2-CG 3.62Å; F222-W241 HydrophobicContact CE2-CZ3 4.49Å; F222-W241 HydrophobicContact CG-CE3 4.42Å; F222-W241 HydrophobicContact CG-CZ3 4.47Å; F222-W241 HydrophobicContact CZ-CB 4.46Å; F222-W241 HydrophobicContact CZ-CG 4.5Å; F234-W241 AromaticContact CD1-CD1 3.93Å; F234-W241 AromaticContact CD1-NE1 3.56Å; F234-W241 AromaticContact CE1-CE2 3.83Å; F234-W241 AromaticContact CE1-CZ2 3.91Å; F234-W241 HydrophobicContact CE1-CZ2 3.91Å; F234-W241 AromaticContact CE1-NE1 3.73Å; N237-W241 PolarHBondContact O-N 2.99Å; M238-W241 PolarHBondContact O-N 2.85Å; W241-F244 AromaticContact CE3-CD1 3.94Å; W241-F244 HydrophobicContact CE3-CD1 3.94Å; W241-F244 HydrophobicContact CE3-CE1 4.37Å; W241-F244 HydrophobicContact CZ3-CD1 4.06Å; W241-F244 HydrophobicContact CZ3-CE1 4.05Å; W241-F244 WeakPolarHBondContact O-CB 3.29Å; W241-F244 PolarHBondContact O-N 3.42Å; W241-F245 HydrophobicContact CB-CE2 4.38Å; W241-F245 HydrophobicContact CE3-CE1 4.37Å; W241-F245 HydrophobicContact CE3-CE2 4.3Å; W241-F245 AromaticContact CE3-CZ 3.89Å; W241-F245 HydrophobicContact CE3-CZ 3.89Å; W241-F245 HydrophobicContact CZ3-CZ 4.4Å; W241-F245 WeakPolarHBondContact O-CD2 3.44Å; W241-F245 WeakPolarHBondContact O-CG 3.39Å; W241-F245 PolarHBondContact O-N 3.07Å |
| 242 | M | 97.4 | Very high | 95 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -40 | 177.1 | -63 | -40.8 | 144.9 | 0 | 0 | 111.5 | M238 F245 R246 Y285 F293 Y296 F300 | M238-M242 HydrophobicContact CG-CE 3.63Å; M238-M242 HydrophobicContact CG-CG 3.82Å; M238-M242 WeakPolarHBondContact O-CB 3.28Å; M238-M242 VanDerWaalsContact O-CG 3.25Å; M238-M242 WeakPolarHBondContact O-CG 3.23Å; M238-M242 PolarHBondContact O-N 3.02Å; M238-M242 HydrophobicContact SD-CE 4.34Å; M242-F245 PolarHBondContact O-N 3.25Å; M242-F245 HydrophobicContact SD-CD2 4.18Å; M242-R246 VanDerWaalsContact O-CG 3.3Å; M242-R246 WeakPolarHBondContact O-CG 3.27Å; M242-R246 PolarHBondContact O-N 3.3Å; M242-Y285 HydrophobicContact CE-CD1 3.49Å; M242-Y285 VanDerWaalsContact CE-CD1 3.49Å; M242-Y285 HydrophobicContact CE-CE1 3.37Å; M242-Y285 HydrophobicContact CE-CG 4.35Å; M242-F293 HydrophobicContact CE-CD2 4.17Å; M242-F293 HydrophobicContact CE-CE2 4.26Å; M242-F293 HydrophobicContact CG-CD2 4.38Å; M242-F293 HydrophobicContact CG-CE2 4.18Å; M242-F293 HydrophobicContact SD-CD2 3.91Å; M242-F293 HydrophobicContact SD-CE2 3.47Å; M242-F293 WeakPolarHBondContact SD-CE2 3.4Å; M242-Y296 HydrophobicContact CB-CD1 3.72Å; M242-Y296 HydrophobicContact CB-CE1 4.18Å; M242-Y296 HydrophobicContact CB-CG 4Å; M242-Y296 HydrophobicContact CG-CD1 3.98Å; M242-Y296 HydrophobicContact CG-CD2 4.03Å; M242-Y296 HydrophobicContact CG-CE1 4.39Å; M242-Y296 HydrophobicContact CG-CE2 4.45Å; M242-Y296 HydrophobicContact CG-CG 3.77Å; M242-F300 HydrophobicContact CB-CE2 4.03Å; M242-F300 HydrophobicContact CB-CZ 4.31Å; M242-F300 HydrophobicContact CG-CE2 4.26Å; M242-F300 HydrophobicContact SD-CE2 3.89Å; M242-F300 HydrophobicContact SD-CZ 3.81Å |
| 243 | T | 96.8 | Very high | 93.9 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 173.9 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | Q239 D240 S247 | Q239-T243 WeakPolarHBondContact O-CB 3.5Å; Q239-T243 PolarHBondContact O-N 3.05Å; Q239-T243 PolarHBondContact O-OG1 3.31Å; D240-T243 PolarHBondContact O-N 3.16Å; T243-S247 WeakPolarHBondContact O-CB 2.95Å; T243-S247 PolarHBondContact O-N 3.3Å; T243-S247 PolarHBondContact O-OG 3.42Å |
| 244 | F | 97 | Very high | 92.9 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -50 | 174.7 | 168.7 | -95.8 | 0 | 0 | 0 | 111.7 | A189 L193 L215 V218 D240 W241 S247 L248 | A189-F244 HydrophobicContact CB-CD2 4.21Å; A189-F244 HydrophobicContact CB-CE2 3.8Å; A189-F244 HydrophobicContact CB-CZ 4Å; A189-F244 WeakPolarHBondContact O-CE2 3.24Å; L193-F244 HydrophobicContact CB-CD2 4.11Å; L193-F244 HydrophobicContact CB-CE2 4.04Å; L193-F244 HydrophobicContact CD2-CD2 3.72Å; L193-F244 HydrophobicContact CD2-CE2 4.38Å; L193-F244 HydrophobicContact CG-CD2 4.41Å; L215-F244 HydrophobicContact CD2-CE2 3.77Å; L215-F244 HydrophobicContact CD2-CZ 3.74Å; V218-F244 HydrophobicContact CG1-CE1 4.43Å; V218-F244 HydrophobicContact CG1-CZ 4.22Å; D240-F244 VanDerWaalsContact O-CB 3.31Å; D240-F244 WeakPolarHBondContact O-CB 3.32Å; D240-F244 PolarHBondContact O-N 3.21Å; W241-F244 AromaticContact CE3-CD1 3.94Å; W241-F244 HydrophobicContact CE3-CD1 3.94Å; W241-F244 HydrophobicContact CE3-CE1 4.37Å; W241-F244 HydrophobicContact CZ3-CD1 4.06Å; W241-F244 HydrophobicContact CZ3-CE1 4.05Å; W241-F244 WeakPolarHBondContact O-CB 3.29Å; W241-F244 PolarHBondContact O-N 3.42Å; F244-S247 WeakPolarHBondContact O-CB 3.4Å; F244-S247 PolarHBondContact O-N 3.27Å; F244-L248 HydrophobicContact CD1-CD1 4.03Å; F244-L248 HydrophobicContact CE1-CD1 3.4Å; F244-L248 VanDerWaalsContact CE1-CD1 3.4Å; F244-L248 HydrophobicContact CE1-CG 4.36Å; F244-L248 HydrophobicContact CE2-CD1 4.22Å; F244-L248 HydrophobicContact CZ-CD1 3.53Å; F244-L248 HydrophobicContact CZ-CG 4.28Å; F244-L248 WeakPolarHBondContact O-CG 3.42Å; F244-L248 PolarHBondContact O-N 2.94Å |
| 245 | F | 97.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | -179.7 | -71.8 | -38.2 | 0 | 0 | 0 | 113.5 | F222 W241 M242 S247 L248 L249 V278 N281 F300 | F222-F245 HydrophobicContact CB-CZ 4.26Å; F222-F245 AromaticContact CD1-CE2 3.91Å; F222-F245 HydrophobicContact CD1-CE2 3.91Å; F222-F245 AromaticContact CD1-CZ 3.54Å; F222-F245 HydrophobicContact CD1-CZ 3.54Å; F222-F245 HydrophobicContact CD2-CE2 4.38Å; F222-F245 AromaticContact CD2-CZ 3.97Å; F222-F245 HydrophobicContact CD2-CZ 3.97Å; F222-F245 AromaticContact CE1-CE2 3.58Å; F222-F245 HydrophobicContact CE1-CE2 3.58Å; F222-F245 AromaticContact CE1-CZ 3.75Å; F222-F245 HydrophobicContact CE1-CZ 3.75Å; F222-F245 HydrophobicContact CE2-CE2 4.09Å; F222-F245 HydrophobicContact CE2-CZ 4.16Å; F222-F245 HydrophobicContact CG-CE2 4.29Å; F222-F245 AromaticContact CG-CZ 3.66Å; F222-F245 HydrophobicContact CG-CZ 3.66Å; F222-F245 AromaticContact CZ-CE2 3.67Å; F222-F245 HydrophobicContact CZ-CE2 3.67Å; F222-F245 HydrophobicContact CZ-CZ 4.04Å; W241-F245 HydrophobicContact CB-CE2 4.38Å; W241-F245 HydrophobicContact CE3-CE1 4.37Å; W241-F245 HydrophobicContact CE3-CE2 4.3Å; W241-F245 AromaticContact CE3-CZ 3.89Å; W241-F245 HydrophobicContact CE3-CZ 3.89Å; W241-F245 HydrophobicContact CZ3-CZ 4.4Å; W241-F245 WeakPolarHBondContact O-CD2 3.44Å; W241-F245 WeakPolarHBondContact O-CG 3.39Å; W241-F245 PolarHBondContact O-N 3.07Å; M242-F245 PolarHBondContact O-N 3.25Å; M242-F245 HydrophobicContact SD-CD2 4.18Å; F245-S247 VanDerWaalsContact C-N 3.3Å; F245-S247 PolarHBondContact O-N 3.13Å; F245-L248 HydrophobicContact CD1-CD1 4.38Å; F245-L248 WeakPolarHBondContact O-CB 3.48Å; F245-L248 PolarHBondContact O-N 3.42Å; F245-L248 VanDerWaalsContact O-N 3.15Å; F245-L249 PolarHBondContact O-N 2.92Å; F245-V278 HydrophobicContact CB-CG1 3.73Å; F245-V278 HydrophobicContact CB-CG2 4.48Å; F245-V278 HydrophobicContact CD1-CG1 4.28Å; F245-V278 HydrophobicContact CD1-CG2 3.75Å; F245-V278 HydrophobicContact CE1-CG2 4.47Å; F245-V278 HydrophobicContact CG-CG1 4.15Å; F245-V278 HydrophobicContact CG-CG2 4.43Å; F245-N281 HydrophobicContact CE2-CB 4.46Å; F245-N281 HydrophobicContact CZ-CB 4.39Å; F245-N281 WeakPolarHBondContact CZ-ND2 3.45Å; F245-F300 HydrophobicContact CB-CE1 3.81Å; F245-F300 HydrophobicContact CB-CZ 3.82Å |
| 246 | R | 96.9 | Very high | 90.8 | Very high | 84 Ų | 84 | 46.9 Ų | 46.9 | 32% | 0.317 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 175.1 | -69 | -170.5 | 69.4 | -153.2 | -7 | 111.7 | M242 L248 L249 Q250 F300 D303 | M242-R246 VanDerWaalsContact O-CG 3.3Å; M242-R246 WeakPolarHBondContact O-CG 3.27Å; M242-R246 PolarHBondContact O-N 3.3Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 3.23Å; R246-L249 PolarHBondContact O-N 2.97Å; R246-Q250 WeakPolarHBondContact O-CG 3.43Å; R246-Q250 PolarHBondContact O-N 3.28Å; R246-F300 HydrophobicContact CG-CD1 4.38Å; R246-F300 HydrophobicContact CG-CD2 4.14Å; R246-F300 HydrophobicContact CG-CE1 4.09Å; R246-F300 HydrophobicContact CG-CE2 3.82Å; R246-F300 HydrophobicContact CG-CG 4.41Å; R246-F300 HydrophobicContact CG-CZ 3.8Å; R246-D303 WeakPolarHBondContact CB-OD2 3.34Å; R246-D303 WeakPolarHBondContact CG-OD2 3.4Å; R246-D303 IonicContact CZ-OD1 3.76Å; R246-D303 IonicContact CZ-OD2 2.77Å; R246-D303 IonicContact NE-OD1 3.59Å; R246-D303 IonicContact NE-OD2 3.08Å; R246-D303 PolarHBondContact NE-OD2 3.19Å; R246-D303 IonicContact NH2-OD1 2.73Å; R246-D303 PolarHBondContact NH2-OD1 2.84Å; R246-D303 IonicContact NH2-OD2 3.9Å; R246-D303 PolarHBondContact NH2-OD2 3.31Å |
| 247 | S | 95.5 | Very high | 89.8 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -39.8 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | T243 F244 F245 Q250 I251 | T243-S247 WeakPolarHBondContact O-CB 2.95Å; T243-S247 PolarHBondContact O-N 3.3Å; T243-S247 PolarHBondContact O-OG 3.42Å; F244-S247 WeakPolarHBondContact O-CB 3.4Å; F244-S247 PolarHBondContact O-N 3.27Å; F245-S247 VanDerWaalsContact C-N 3.3Å; F245-S247 PolarHBondContact O-N 3.13Å; S247-Q250 PolarHBondContact O-N 3.43Å; S247-I251 WeakPolarHBondContact O-CG1 3.13Å; S247-I251 PolarHBondContact O-N 2.88Å |
| 248 | L | 95.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -39 | 176.2 | -67.8 | 177.7 | 0 | 0 | 0 | 113 | L193 L215 F244 F245 R246 Q250 I251 I274 V278 | L193-L248 HydrophobicContact CD1-CD2 3.81Å; L193-L248 HydrophobicContact CD1-CG 4.5Å; L215-L248 HydrophobicContact CD1-CD2 4.15Å; L215-L248 HydrophobicContact CD2-CD2 4.48Å; F244-L248 HydrophobicContact CD1-CD1 4.03Å; F244-L248 HydrophobicContact CE1-CD1 3.4Å; F244-L248 VanDerWaalsContact CE1-CD1 3.4Å; F244-L248 HydrophobicContact CE1-CG 4.36Å; F244-L248 HydrophobicContact CE2-CD1 4.22Å; F244-L248 HydrophobicContact CZ-CD1 3.53Å; F244-L248 HydrophobicContact CZ-CG 4.28Å; F244-L248 WeakPolarHBondContact O-CG 3.42Å; F244-L248 PolarHBondContact O-N 2.94Å; F245-L248 HydrophobicContact CD1-CD1 4.38Å; F245-L248 WeakPolarHBondContact O-CB 3.48Å; F245-L248 PolarHBondContact O-N 3.42Å; F245-L248 VanDerWaalsContact O-N 3.15Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 3.23Å; L248-Q250 PolarHBondContact O-N 3.03Å; L248-I251 HydrophobicContact CD2-CD1 3.65Å; L248-I251 PolarHBondContact O-N 3.45Å; L248-I274 HydrophobicContact CB-CG2 4.05Å; L248-I274 HydrophobicContact CD1-CG2 3.78Å; L248-I274 HydrophobicContact CD2-CG2 4.17Å; L248-I274 HydrophobicContact CG-CG2 4.23Å; L248-V278 HydrophobicContact CB-CG2 4.23Å; L248-V278 HydrophobicContact CD1-CG2 4.09Å |
| 249 | L | 94.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -33.6 | 175.9 | -73.1 | 172.9 | 0 | 0 | 0 | 112.3 | F245 R246 K275 V278 F300 D303 V304 M307 | F245-L249 PolarHBondContact O-N 2.92Å; R246-L249 PolarHBondContact O-N 2.97Å; L249-K275 HydrophobicContact CD2-CB 4.21Å; L249-K275 HydrophobicContact CD2-CG 4.4Å; L249-K275 WeakPolarHBondContact O-CE 3.48Å; L249-K275 PolarHBondContact O-NZ 3.3Å; L249-V278 HydrophobicContact CD1-CG1 3.86Å; L249-V278 HydrophobicContact CD2-CB 4.11Å; L249-V278 HydrophobicContact CD2-CG1 3.93Å; L249-V278 HydrophobicContact CG-CB 4.32Å; L249-V278 HydrophobicContact CG-CG1 3.7Å; L249-F300 HydrophobicContact CD1-CD1 3.87Å; L249-F300 HydrophobicContact CD1-CE1 4.22Å; L249-D303 HydrophobicContact CB-CB 4.27Å; L249-D303 HydrophobicContact CD1-CB 4.11Å; L249-V304 HydrophobicContact CD1-CG2 4.12Å; L249-M307 HydrophobicContact CD2-SD 4.28Å |
| 250 | Q | 92.1 | Very high | 86 | Confident | 118 Ų | 118 | 50.9 Ų | 50.9 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -5.3 | -178.7 | -66.6 | 174.3 | -6.2 | 0 | 0 | 114.1 | R246 S247 L248 D252 D303 | R246-Q250 WeakPolarHBondContact O-CG 3.43Å; R246-Q250 PolarHBondContact O-N 3.28Å; S247-Q250 PolarHBondContact O-N 3.43Å; L248-Q250 PolarHBondContact O-N 3.03Å; Q250-D252 PolarHBondContact O-N 2.94Å; Q250-D303 PolarHBondContact NE2-OD1 2.84Å |
| 251 | I | 88.8 | Confident | 84.6 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | trans | -65.3 | 126.4 | 176.8 | -68.6 | 173.3 | 0 | 0 | 0 | 110.2 | V196 I197 S247 L248 L256 V271 K275 | V196-I251 HydrophobicContact CG1-CD1 3.96Å; I197-I251 HydrophobicContact CG2-CG1 4.19Å; S247-I251 WeakPolarHBondContact O-CG1 3.13Å; S247-I251 PolarHBondContact O-N 2.88Å; L248-I251 HydrophobicContact CD2-CD1 3.65Å; L248-I251 PolarHBondContact O-N 3.45Å; I251-L256 HydrophobicContact CG2-CD1 3.56Å; I251-L256 HydrophobicContact CG2-CG 4.08Å; I251-V271 HydrophobicContact CG2-CG1 4Å; I251-V271 HydrophobicContact CG2-CG2 4.28Å; I251-K275 WeakPolarHBondContact O-CE 3.49Å; I251-K275 PolarHBondContact O-NZ 3.18Å | ||
| 252 | D | 78.5 | Confident | 83 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | trans | -103.1 | 128.1 | 169.7 | -177 | -5.4 | 0 | 0 | 0 | 110.3 | Q250 S254 T255 L256 | Q250-D252 PolarHBondContact O-N 2.94Å; D252-S254 PolarHBondContact O-N 3.03Å; D252-S254 WeakPolarHBondContact OD1-CB 3.44Å; D252-S254 PolarHBondContact OD1-N 3.31Å; D252-S254 PolarHBondContact OD1-OG 3.37Å; D252-S254 PolarHBondContact OD2-OG 3.38Å; D252-T255 WeakPolarHBondContact O-CA 3.37Å; D252-T255 VanDerWaalsContact O-CB 3.26Å; D252-T255 WeakPolarHBondContact O-CB 3.5Å; D252-T255 PolarHBondContact O-N 3.31Å; D252-L256 PolarHBondContact O-N 3.01Å | ||
| 253 | A | 72.3 | Confident | 81.8 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.9 | -32 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T255 L256 N257 T268 | A253-T255 VanDerWaalsContact C-N 3.27Å; A253-T255 PolarHBondContact O-N 2.92Å; A253-L256 PolarHBondContact O-N 3.07Å; A253-L256 VanDerWaalsContact O-N 3.07Å; A253-N257 PolarHBondContact O-N 3.07Å; A253-T268 HydrophobicContact CB-CG2 3.77Å |
| 254 | S | 74.1 | Confident | 80.5 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 57% | 0.566 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.4 | -38.3 | 174 | 83.2 | 0 | 0 | 0 | 0 | 111.2 | D252 L256 N257 | D252-S254 PolarHBondContact O-N 3.03Å; D252-S254 WeakPolarHBondContact OD1-CB 3.44Å; D252-S254 PolarHBondContact OD1-N 3.31Å; D252-S254 PolarHBondContact OD1-OG 3.37Å; D252-S254 PolarHBondContact OD2-OG 3.38Å; S254-L256 PolarHBondContact O-N 3.2Å; S254-N257 PolarHBondContact O-N 3.46Å |
| 255 | T | 72.5 | Confident | 79.3 | Confident | 80 Ų | 80 | 67 Ų | 67 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66 | -26.8 | 176.6 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | R201 D252 A253 | R201-T255 PolarHBondContact NH1-O 3.4Å; R201-T255 PolarHBondContact NH2-O 3.03Å; D252-T255 WeakPolarHBondContact O-CA 3.37Å; D252-T255 VanDerWaalsContact O-CB 3.26Å; D252-T255 WeakPolarHBondContact O-CB 3.5Å; D252-T255 PolarHBondContact O-N 3.31Å; A253-T255 VanDerWaalsContact C-N 3.27Å; A253-T255 PolarHBondContact O-N 2.92Å |
| 256 | L | 78.7 | Confident | 78.5 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -85.4 | -9.7 | -178.3 | -64.9 | -172.9 | 0 | 0 | 0 | 115.1 | V196 R201 L208 I251 D252 A253 S254 L258 V271 | V196-L256 HydrophobicContact CG1-CD1 4.02Å; V196-L256 HydrophobicContact CG1-CD2 3.69Å; R201-L256 VanDerWaalsContact NH2-CA 3.28Å; L208-L256 HydrophobicContact CD2-CB 3.99Å; L208-L256 HydrophobicContact CD2-CD1 4.37Å; L208-L256 HydrophobicContact CD2-CD2 4.28Å; L208-L256 HydrophobicContact CD2-CG 4.44Å; I251-L256 HydrophobicContact CG2-CD1 3.56Å; I251-L256 HydrophobicContact CG2-CG 4.08Å; D252-L256 PolarHBondContact O-N 3.01Å; A253-L256 PolarHBondContact O-N 3.07Å; A253-L256 VanDerWaalsContact O-N 3.07Å; S254-L256 PolarHBondContact O-N 3.2Å; L256-L258 HydrophobicContact CB-CD1 3.64Å; L256-L258 HydrophobicContact CB-CG 3.75Å; L256-L258 HydrophobicContact CD1-CD1 3.71Å; L256-L258 HydrophobicContact CG-CD1 4.34Å; L256-L258 PolarHBondContact O-N 3.41Å; L256-V271 HydrophobicContact CD1-CG2 3.98Å |
| 257 | N | 73.7 | Confident | 77.6 | Confident | 139 Ų | 139 | 63.7 Ų | 63.7 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33.5 | -172.6 | -63.5 | -40.5 | 0 | 0 | 0 | 113.3 | A253 S254 | A253-N257 PolarHBondContact O-N 3.07Å; S254-N257 PolarHBondContact O-N 3.46Å |
| 258 | L | 76.1 | Confident | 76.9 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 141.3 | 178.3 | -68.8 | 166.3 | 0 | 0 | 0 | 110.1 | L208 L212 L256 T268 V271 | L208-L258 HydrophobicContact CB-CD2 4.31Å; L208-L258 HydrophobicContact CD2-CD1 4.36Å; L208-L258 HydrophobicContact CD2-CD2 3.76Å; L208-L258 HydrophobicContact CD2-CG 4.1Å; L208-L258 HydrophobicContact CG-CD2 4.06Å; L212-L258 HydrophobicContact CD1-CD1 3.63Å; L256-L258 HydrophobicContact CB-CD1 3.64Å; L256-L258 HydrophobicContact CB-CG 3.75Å; L256-L258 HydrophobicContact CD1-CD1 3.71Å; L256-L258 HydrophobicContact CG-CD1 4.34Å; L256-L258 PolarHBondContact O-N 3.41Å; L258-T268 HydrophobicContact CB-CG2 4.15Å; L258-V271 HydrophobicContact CD1-CG2 4.18Å |
| 259 | T | 66.4 | Low | 76.4 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 67% | 0.669 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 129.6 | 173 | 51.6 | 0 | 0 | 0 | 0 | 109.6 | G261 | T259-G261 PolarHBondContact O-N 3.16Š|
| 260 | D | 67.3 | Low | 76.1 | Confident | 122 Ų | 122 | 63.4 Ų | 63.4 | 65% | 0.652 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 128.3 | 169.8 | -95.7 | -38.2 | 0 | 0 | 0 | 110.2 | T268 K316 | D260-T268 VanDerWaalsContact OD1-CB 3.29Å; D260-T268 WeakPolarHBondContact OD1-CB 3.48Å; D260-T268 WeakPolarHBondContact OD1-CG2 3.43Å; D260-T268 PolarHBondContact OD1-OG1 2.67Å; D260-K316 IonicContact OD1-NZ 3.65Å; D260-K316 PolarHBondContact OD1-NZ 3.23Å; D260-K316 VanDerWaalsContact OD1-NZ 3.08Å |
| 261 | G | 66.3 | Low | 76.1 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | trans | -137.9 | 163 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | T259 S266 | T259-G261 PolarHBondContact O-N 3.16Å; G261-S266 PolarHBondContact O-OG 3.11Å; G261-S266 VanDerWaalsContact O-OG 3.07Å | ||
| 262 | T | 64.7 | Low | 76.1 | Confident | 151 Ų | 151 | 58.3 Ų | 58.3 | 93% | 0.926 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -99.8 | -9.9 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 263 | D | 73 | Confident | 76.7 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -65.8 | 140.1 | 173 | -170.9 | -24.2 | 0 | 0 | 0 | 109.2 | N265 S266 | D263-N265 PolarHBondContact O-N 3.5Å; D263-N265 VanDerWaalsContact O-N 3.08Å; D263-N265 PolarHBondContact OD1-N 3.19Å; D263-N265 PolarHBondContact OD1-ND2 3.34Å; D263-S266 VanDerWaalsContact O-CB 3.26Å; D263-S266 WeakPolarHBondContact O-CB 3.46Å; D263-S266 PolarHBondContact O-N 3.41Å; D263-S266 PolarHBondContact O-OG 3.1Å |
| 264 | E | 68.3 | Low | 77.8 | Confident | 140 Ų | 140 | 55.8 Ų | 55.8 | 65% | 0.654 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.4 | 173.6 | -65 | -173.4 | 164.9 | 0 | 0 | 112.3 | ||
| 265 | N | 72.7 | Confident | 78.8 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2.9 | 177 | -61.7 | -66.3 | 0 | 0 | 0 | 114.1 | T209 Q213 D263 | T209-N265 WeakPolarHBondContact CG2-O 3.34Å; Q213-N265 PolarHBondContact NE2-OD1 2.68Å; D263-N265 PolarHBondContact O-N 3.5Å; D263-N265 VanDerWaalsContact O-N 3.08Å; D263-N265 PolarHBondContact OD1-N 3.19Å; D263-N265 PolarHBondContact OD1-ND2 3.34Å |
| 266 | S | 80 | Confident | 79.9 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -68 | 144.9 | 173.9 | 68.8 | 0 | 0 | 0 | 0 | 110.5 | G261 D263 T268 V269 L270 | G261-S266 PolarHBondContact O-OG 3.11Å; G261-S266 VanDerWaalsContact O-OG 3.07Å; D263-S266 VanDerWaalsContact O-CB 3.26Å; D263-S266 WeakPolarHBondContact O-CB 3.46Å; D263-S266 PolarHBondContact O-N 3.41Å; D263-S266 PolarHBondContact O-OG 3.1Å; S266-T268 VanDerWaalsContact C-N 3.27Å; S266-T268 PolarHBondContact O-N 2.69Å; S266-V269 PolarHBondContact O-N 3.43Å; S266-V269 WeakPolarHBondContact OG-CB 3.4Å; S266-V269 WeakPolarHBondContact OG-CG2 3.47Å; S266-L270 WeakPolarHBondContact O-CG 3.48Å; S266-L270 PolarHBondContact O-N 3.49Å |
| 267 | G | 79.5 | Confident | 80.7 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -38.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L270 V271 | G267-L270 PolarHBondContact O-N 3.01Å; G267-V271 WeakPolarHBondContact O-CG2 3.4Å; G267-V271 PolarHBondContact O-N 3.1Å; G267-V271 VanDerWaalsContact O-N 3.15Å |
| 268 | T | 79.9 | Confident | 81.8 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.5 | -44.3 | 179.8 | 54.6 | 0 | 0 | 0 | 0 | 112 | A253 L258 D260 S266 L270 V271 E272 | A253-T268 HydrophobicContact CB-CG2 3.77Å; L258-T268 HydrophobicContact CB-CG2 4.15Å; D260-T268 VanDerWaalsContact OD1-CB 3.29Å; D260-T268 WeakPolarHBondContact OD1-CB 3.48Å; D260-T268 WeakPolarHBondContact OD1-CG2 3.43Å; D260-T268 PolarHBondContact OD1-OG1 2.67Å; S266-T268 VanDerWaalsContact C-N 3.27Å; S266-T268 PolarHBondContact O-N 2.69Å; T268-L270 VanDerWaalsContact C-N 3.32Å; T268-L270 PolarHBondContact O-N 2.97Å; T268-V271 PolarHBondContact O-N 2.81Å; T268-E272 VanDerWaalsContact O-CG 3.31Å; T268-E272 WeakPolarHBondContact O-CG 3.49Å; T268-E272 PolarHBondContact O-N 3.17Å; T268-E272 VanDerWaalsContact O-N 3.12Å |
| 269 | V | 84.7 | Confident | 82.8 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 11% | 0.109 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | 174.7 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | S266 V271 E272 Q273 | S266-V269 PolarHBondContact O-N 3.43Å; S266-V269 WeakPolarHBondContact OG-CB 3.4Å; S266-V269 WeakPolarHBondContact OG-CG2 3.47Å; V269-V271 PolarHBondContact O-N 3.41Å; V269-E272 WeakPolarHBondContact O-CB 3.28Å; V269-E272 PolarHBondContact O-N 2.98Å; V269-Q273 HydrophobicContact CG1-CG 4.24Å; V269-Q273 WeakPolarHBondContact O-CG 3.41Å; V269-Q273 PolarHBondContact O-N 3.2Å |
| 270 | L | 89.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.1 | -72.7 | 167.6 | 0 | 0 | 0 | 112.5 | T209 L212 Q213 L216 S266 G267 T268 E272 Q273 I274 | T209-L270 HydrophobicContact CG2-CD1 3.65Å; L212-L270 HydrophobicContact CB-CB 3.91Å; L212-L270 HydrophobicContact CB-CD1 4.04Å; L212-L270 HydrophobicContact CD1-CB 4.4Å; Q213-L270 HydrophobicContact CG-CD1 3.65Å; Q213-L270 HydrophobicContact CG-CD2 3.91Å; Q213-L270 HydrophobicContact CG-CG 4.46Å; L216-L270 HydrophobicContact CD2-CD2 4.2Å; S266-L270 WeakPolarHBondContact O-CG 3.48Å; S266-L270 PolarHBondContact O-N 3.49Å; G267-L270 PolarHBondContact O-N 3.01Å; T268-L270 VanDerWaalsContact C-N 3.32Å; T268-L270 PolarHBondContact O-N 2.97Å; L270-E272 VanDerWaalsContact C-N 3.3Å; L270-E272 PolarHBondContact O-N 2.86Å; L270-Q273 PolarHBondContact O-N 2.71Å; L270-I274 WeakPolarHBondContact O-CB 3.37Å; L270-I274 WeakPolarHBondContact O-CD1 3.4Å; L270-I274 WeakPolarHBondContact O-CG1 3.42Å; L270-I274 PolarHBondContact O-N 3.3Å |
| 271 | V | 91.3 | Very high | 85.5 | Confident | 8 Ų | 8 | 34.3 Ų | 34.3 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 173.4 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | L212 I251 L256 L258 G267 T268 V269 I274 K275 | L212-V271 HydrophobicContact CD1-CG2 3.94Å; L212-V271 HydrophobicContact CD2-CG2 3.98Å; I251-V271 HydrophobicContact CG2-CG1 4Å; I251-V271 HydrophobicContact CG2-CG2 4.28Å; L256-V271 HydrophobicContact CD1-CG2 3.98Å; L258-V271 HydrophobicContact CD1-CG2 4.18Å; G267-V271 WeakPolarHBondContact O-CG2 3.4Å; G267-V271 PolarHBondContact O-N 3.1Å; G267-V271 VanDerWaalsContact O-N 3.15Å; T268-V271 PolarHBondContact O-N 2.81Å; V269-V271 PolarHBondContact O-N 3.41Å; V271-I274 PolarHBondContact O-N 3.09Å; V271-K275 HydrophobicContact CG1-CD 4.38Å; V271-K275 WeakPolarHBondContact O-CG 3.31Å; V271-K275 PolarHBondContact O-N 3.35Å |
| 272 | E | 89.1 | Confident | 86.9 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -45.9 | 177.8 | -63.5 | 161.9 | -161 | 0 | 0 | 111.7 | T268 V269 L270 I274 K275 S276 K316 Y317 L320 | T268-E272 VanDerWaalsContact O-CG 3.31Å; T268-E272 WeakPolarHBondContact O-CG 3.49Å; T268-E272 PolarHBondContact O-N 3.17Å; T268-E272 VanDerWaalsContact O-N 3.12Å; V269-E272 WeakPolarHBondContact O-CB 3.28Å; V269-E272 PolarHBondContact O-N 2.98Å; L270-E272 VanDerWaalsContact C-N 3.3Å; L270-E272 PolarHBondContact O-N 2.86Å; E272-I274 PolarHBondContact O-N 3.32Å; E272-K275 PolarHBondContact O-N 3.34Å; E272-S276 WeakPolarHBondContact O-CB 3.3Å; E272-S276 PolarHBondContact O-N 2.72Å; E272-K316 VanDerWaalsContact OE1-CE 3.31Å; E272-K316 WeakPolarHBondContact OE1-CE 3.48Å; E272-K316 IonicContact OE1-NZ 2.7Å; E272-K316 PolarHBondContact OE1-NZ 2.86Å; E272-K316 VanDerWaalsContact OE1-NZ 3.11Å; E272-Y317 HydrophobicContact CG-CD1 3.77Å; E272-Y317 HydrophobicContact CG-CE1 3.64Å; E272-Y317 WeakPolarHBondContact OE1-CE1 3.37Å; E272-L320 HydrophobicContact CB-CD2 4.48Å |
| 273 | Q | 91.9 | Very high | 88.3 | Confident | 49 Ų | 49 | 27.1 Ų | 27.1 | 23% | 0.229 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 176.4 | -72.5 | 180 | 2.3 | 0 | 0 | 112.5 | L216 V269 L270 S276 Q277 | L216-Q273 HydrophobicContact CD1-CB 4.02Å; L216-Q273 HydrophobicContact CD2-CB 4.06Å; V269-Q273 HydrophobicContact CG1-CG 4.24Å; V269-Q273 WeakPolarHBondContact O-CG 3.41Å; V269-Q273 PolarHBondContact O-N 3.2Å; L270-Q273 PolarHBondContact O-N 2.71Å; Q273-S276 PolarHBondContact O-N 3.07Å; Q273-Q277 WeakPolarHBondContact O-CB 3.37Å; Q273-Q277 PolarHBondContact O-N 2.87Å |
| 274 | I | 95.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -50.8 | 175.2 | -71.1 | 162.7 | 0 | 0 | 0 | 109.7 | L212 L215 L216 L248 L270 V271 E272 S276 Q277 V278 | L212-I274 HydrophobicContact CB-CD1 4.12Å; L212-I274 HydrophobicContact CD2-CD1 3.7Å; L215-I274 HydrophobicContact CB-CD1 3.94Å; L216-I274 HydrophobicContact CB-CG1 3.84Å; L216-I274 HydrophobicContact CD1-CG1 4.23Å; L248-I274 HydrophobicContact CB-CG2 4.05Å; L248-I274 HydrophobicContact CD1-CG2 3.78Å; L248-I274 HydrophobicContact CD2-CG2 4.17Å; L248-I274 HydrophobicContact CG-CG2 4.23Å; L270-I274 WeakPolarHBondContact O-CB 3.37Å; L270-I274 WeakPolarHBondContact O-CD1 3.4Å; L270-I274 WeakPolarHBondContact O-CG1 3.42Å; L270-I274 PolarHBondContact O-N 3.3Å; V271-I274 PolarHBondContact O-N 3.09Å; E272-I274 PolarHBondContact O-N 3.32Å; I274-S276 VanDerWaalsContact C-N 3.28Å; I274-S276 PolarHBondContact O-N 3.47Å; I274-Q277 PolarHBondContact O-N 3.19Å; I274-Q277 VanDerWaalsContact O-N 3.17Å; I274-V278 HydrophobicContact CG2-CG2 4.47Å; I274-V278 WeakPolarHBondContact O-CG2 3.39Å; I274-V278 PolarHBondContact O-N 3.22Å |
| 275 | K | 95.4 | Very high | 90.7 | Very high | 30 Ų | 30 | 17.4 Ų | 17.4 | 13% | 0.13 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.3 | -40.3 | 178.7 | -68.4 | -178.2 | 177.7 | -153 | 0 | 112.1 | L249 I251 V271 E272 V278 C279 M307 L320 | L249-K275 HydrophobicContact CD2-CB 4.21Å; L249-K275 HydrophobicContact CD2-CG 4.4Å; L249-K275 WeakPolarHBondContact O-CE 3.48Å; L249-K275 PolarHBondContact O-NZ 3.3Å; I251-K275 WeakPolarHBondContact O-CE 3.49Å; I251-K275 PolarHBondContact O-NZ 3.18Å; V271-K275 HydrophobicContact CG1-CD 4.38Å; V271-K275 WeakPolarHBondContact O-CG 3.31Å; V271-K275 PolarHBondContact O-N 3.35Å; E272-K275 PolarHBondContact O-N 3.34Å; K275-V278 PolarHBondContact O-N 3.49Å; K275-C279 PolarHBondContact O-N 3.09Å; K275-C279 PolarHBondContact O-SG 3.42Å; K275-M307 HydrophobicContact CB-SD 4.15Å; K275-M307 HydrophobicContact CD-SD 3.75Å; K275-M307 HydrophobicContact CG-SD 4.41Å; K275-L320 HydrophobicContact CB-CD1 3.61Å; K275-L320 HydrophobicContact CB-CD2 4.29Å; K275-L320 HydrophobicContact CD-CD2 4.47Å |
| 276 | S | 94 | Very high | 91.7 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.8 | -158.7 | 0 | 0 | 0 | 0 | 111.2 | E272 Q273 I274 V278 C279 D280 L319 N323 | E272-S276 WeakPolarHBondContact O-CB 3.3Å; E272-S276 PolarHBondContact O-N 2.72Å; Q273-S276 PolarHBondContact O-N 3.07Å; I274-S276 VanDerWaalsContact C-N 3.28Å; I274-S276 PolarHBondContact O-N 3.47Å; S276-V278 VanDerWaalsContact C-N 3.32Å; S276-V278 PolarHBondContact O-N 3.4Å; S276-C279 WeakPolarHBondContact O-CB 3.31Å; S276-C279 PolarHBondContact O-N 2.99Å; S276-D280 PolarHBondContact O-N 2.92Å; S276-D280 VanDerWaalsContact O-N 3.15Å; S276-L319 PolarHBondContact OG-O 2.76Å; S276-N323 PolarHBondContact O-ND2 3.41Å; S276-N323 PolarHBondContact OG-ND2 3.07Å |
| 277 | Q | 96 | Very high | 92.3 | Very high | 17 Ų | 17 | 15.1 Ų | 15.1 | 8% | 0.079 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.1 | -33.8 | 176.9 | -173.4 | 61.1 | 67 | 0 | 0 | 112.1 | L216 C219 K220 Q273 I274 D280 N281 | L216-Q277 HydrophobicContact CD1-CB 4.15Å; C219-Q277 HydrophobicContact CB-CB 4.24Å; C219-Q277 HydrophobicContact CB-CG 3.57Å; K220-Q277 HydrophobicContact CG-CG 4Å; K220-Q277 VanDerWaalsContact CG-OE1 3.29Å; Q273-Q277 WeakPolarHBondContact O-CB 3.37Å; Q273-Q277 PolarHBondContact O-N 2.87Å; I274-Q277 PolarHBondContact O-N 3.19Å; I274-Q277 VanDerWaalsContact O-N 3.17Å; Q277-D280 PolarHBondContact O-N 2.87Å; Q277-N281 PolarHBondContact NE2-OD1 3.37Å; Q277-N281 VanDerWaalsContact NE2-OD1 3.11Å; Q277-N281 PolarHBondContact O-N 2.98Å; Q277-N281 PolarHBondContact O-OD1 2.87Å; Q277-N281 VanDerWaalsContact O-OD1 3.13Å |
| 278 | V | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 173.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | F245 L248 L249 I274 K275 S276 D280 N281 A282 F300 | F245-V278 HydrophobicContact CB-CG1 3.73Å; F245-V278 HydrophobicContact CB-CG2 4.48Å; F245-V278 HydrophobicContact CD1-CG1 4.28Å; F245-V278 HydrophobicContact CD1-CG2 3.75Å; F245-V278 HydrophobicContact CE1-CG2 4.47Å; F245-V278 HydrophobicContact CG-CG1 4.15Å; F245-V278 HydrophobicContact CG-CG2 4.43Å; L248-V278 HydrophobicContact CB-CG2 4.23Å; L248-V278 HydrophobicContact CD1-CG2 4.09Å; L249-V278 HydrophobicContact CD1-CG1 3.86Å; L249-V278 HydrophobicContact CD2-CB 4.11Å; L249-V278 HydrophobicContact CD2-CG1 3.93Å; L249-V278 HydrophobicContact CG-CB 4.32Å; L249-V278 HydrophobicContact CG-CG1 3.7Å; I274-V278 HydrophobicContact CG2-CG2 4.47Å; I274-V278 WeakPolarHBondContact O-CG2 3.39Å; I274-V278 PolarHBondContact O-N 3.22Å; K275-V278 PolarHBondContact O-N 3.49Å; S276-V278 VanDerWaalsContact C-N 3.32Å; S276-V278 PolarHBondContact O-N 3.4Å; V278-D280 VanDerWaalsContact C-N 3.29Å; V278-D280 PolarHBondContact O-N 3.31Å; V278-N281 PolarHBondContact O-N 3.07Å; V278-A282 WeakPolarHBondContact O-CB 3.26Å; V278-A282 PolarHBondContact O-N 3.06Å; V278-F300 HydrophobicContact CG1-CE1 4.18Å |
| 279 | C | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.6 | -39 | 174.3 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | K275 S276 S283 N323 | K275-C279 PolarHBondContact O-N 3.09Å; K275-C279 PolarHBondContact O-SG 3.42Å; S276-C279 WeakPolarHBondContact O-CB 3.31Å; S276-C279 PolarHBondContact O-N 2.99Å; C279-S283 VanDerWaalsContact O-CB 3.31Å; C279-S283 WeakPolarHBondContact O-CB 3.18Å; C279-S283 PolarHBondContact O-N 3.46Å; C279-S283 PolarHBondContact O-OG 3.37Å; C279-N323 HydrophobicContact CB-CB 4.07Å |
| 280 | D | 93.8 | Very high | 94 | Very high | 54 Ų | 54 | 20.7 Ų | 20.7 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 175.1 | -66.9 | -12.3 | 0 | 0 | 0 | 111.8 | S276 Q277 V278 S283 L284 N323 | S276-D280 PolarHBondContact O-N 2.92Å; S276-D280 VanDerWaalsContact O-N 3.15Å; Q277-D280 PolarHBondContact O-N 2.87Å; V278-D280 VanDerWaalsContact C-N 3.29Å; V278-D280 PolarHBondContact O-N 3.31Å; D280-S283 PolarHBondContact O-N 3.21Å; D280-L284 PolarHBondContact O-N 3.41Å; D280-N323 VanDerWaalsContact CG-ND2 3.29Å; D280-N323 PolarHBondContact OD1-ND2 3.14Å; D280-N323 PolarHBondContact OD2-ND2 2.96Å; D280-N323 VanDerWaalsContact OD2-ND2 3.16Å |
| 281 | N | 96.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 178.1 | -67.1 | 1.9 | 0 | 0 | 0 | 111 | C219 F222 L223 F245 Q277 V278 S283 L284 Y285 | C219-N281 PolarHBondContact O-ND2 3.21Å; F222-N281 HydrophobicContact CD1-CB 4.4Å; L223-N281 WeakPolarHBondContact CB-OD1 3.42Å; F245-N281 HydrophobicContact CE2-CB 4.46Å; F245-N281 HydrophobicContact CZ-CB 4.39Å; F245-N281 WeakPolarHBondContact CZ-ND2 3.45Å; Q277-N281 PolarHBondContact NE2-OD1 3.37Å; Q277-N281 VanDerWaalsContact NE2-OD1 3.11Å; Q277-N281 PolarHBondContact O-N 2.98Å; Q277-N281 PolarHBondContact O-OD1 2.87Å; Q277-N281 VanDerWaalsContact O-OD1 3.13Å; V278-N281 PolarHBondContact O-N 3.07Å; N281-S283 VanDerWaalsContact C-N 3.33Å; N281-S283 PolarHBondContact O-N 3.38Å; N281-L284 PolarHBondContact O-N 3.09Å; N281-Y285 WeakPolarHBondContact O-CD2 3.35Å; N281-Y285 PolarHBondContact O-N 3.22Å; N281-Y285 VanDerWaalsContact O-N 3.1Å |
| 282 | A | 96.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V278 Y285 A286 F293 F300 F327 | V278-A282 WeakPolarHBondContact O-CB 3.26Å; V278-A282 PolarHBondContact O-N 3.06Å; A282-Y285 PolarHBondContact O-N 2.86Å; A282-A286 VanDerWaalsContact O-CB 3.27Å; A282-A286 WeakPolarHBondContact O-CB 3.24Å; A282-A286 PolarHBondContact O-N 3.46Å; A282-F293 HydrophobicContact CB-CZ 4.34Å; A282-F300 HydrophobicContact CB-CD1 3.91Å; A282-F300 HydrophobicContact CB-CE1 4.17Å; A282-F327 HydrophobicContact CB-CD2 3.96Å; A282-F327 HydrophobicContact CB-CE2 3.71Å; A282-F327 HydrophobicContact CB-CZ 4.35Å |
| 283 | S | 94.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | C279 D280 N281 S287 F327 | C279-S283 VanDerWaalsContact O-CB 3.31Å; C279-S283 WeakPolarHBondContact O-CB 3.18Å; C279-S283 PolarHBondContact O-N 3.46Å; C279-S283 PolarHBondContact O-OG 3.37Å; D280-S283 PolarHBondContact O-N 3.21Å; N281-S283 VanDerWaalsContact C-N 3.33Å; N281-S283 PolarHBondContact O-N 3.38Å; S283-S287 VanDerWaalsContact O-CB 3.26Å; S283-S287 WeakPolarHBondContact O-CB 3.32Å; S283-S287 PolarHBondContact O-N 3.41Å; S283-S287 PolarHBondContact O-OG 2.88Å; S283-F327 WeakPolarHBondContact OG-CA 3.19Å; S283-F327 WeakPolarHBondContact OG-CB 3.24Å |
| 284 | L | 94.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 26.8 Ų | 26.8 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 173 | 174.9 | 67.6 | 0 | 0 | 0 | 110.5 | L223 N226 D280 N281 S287 K288 Y289 | L223-L284 HydrophobicContact CD1-CB 4.09Å; L223-L284 HydrophobicContact CD1-CD2 3.54Å; L223-L284 HydrophobicContact CD1-CG 4.42Å; N226-L284 HydrophobicContact CB-CD2 4.41Å; D280-L284 PolarHBondContact O-N 3.41Å; N281-L284 PolarHBondContact O-N 3.09Å; L284-S287 PolarHBondContact O-N 3.03Å; L284-S287 PolarHBondContact O-OG 2.9Å; L284-K288 HydrophobicContact CD1-CB 4.29Å; L284-K288 HydrophobicContact CD1-CD 4.21Å; L284-K288 WeakPolarHBondContact O-CB 3.3Å; L284-K288 PolarHBondContact O-N 3.01Å; L284-Y289 HydrophobicContact CD2-CE2 4.39Å; L284-Y289 HydrophobicContact CG-CE2 4.25Å |
| 285 | Y | 96 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | -179.3 | -88.8 | -121.5 | 0 | 0 | 0 | 112 | F222 N226 L230 M238 M242 N281 A282 S287 Y289 E290 F293 | F222-Y285 HydrophobicContact CE1-CD2 4.31Å; F222-Y285 AromaticContact CE1-CE2 3.5Å; F222-Y285 HydrophobicContact CE1-CE2 3.5Å; F222-Y285 VanDerWaalsContact CE1-CE2 3.5Å; F222-Y285 AromaticContact CE1-CZ 3.8Å; F222-Y285 HydrophobicContact CZ-CE1 4.38Å; F222-Y285 AromaticContact CZ-CE2 3.77Å; F222-Y285 HydrophobicContact CZ-CE2 3.77Å; F222-Y285 AromaticContact CZ-CZ 3.53Å; F222-Y285 WeakPolarHBondContact CZ-OH 3.46Å; N226-Y285 HydrophobicContact CB-CE2 3.93Å; N226-Y285 VanDerWaalsContact CG-OH 3.32Å; N226-Y285 PolarHBondContact OD1-OH 3.46Å; L230-Y285 HydrophobicContact CD1-CE1 4.03Å; L230-Y285 WeakPolarHBondContact CD1-OH 3.4Å; M238-Y285 HydrophobicContact CE-CD1 4.42Å; M238-Y285 HydrophobicContact CE-CE1 3.97Å; M242-Y285 HydrophobicContact CE-CD1 3.49Å; M242-Y285 VanDerWaalsContact CE-CD1 3.49Å; M242-Y285 HydrophobicContact CE-CE1 3.37Å; M242-Y285 HydrophobicContact CE-CG 4.35Å; N281-Y285 WeakPolarHBondContact O-CD2 3.35Å; N281-Y285 PolarHBondContact O-N 3.22Å; N281-Y285 VanDerWaalsContact O-N 3.1Å; A282-Y285 PolarHBondContact O-N 2.86Å; Y285-S287 PolarHBondContact O-N 3.31Å; Y285-Y289 HydrophobicContact CD1-CD2 4.33Å; Y285-Y289 AromaticContact CD2-CD2 3.85Å; Y285-Y289 HydrophobicContact CD2-CD2 3.85Å; Y285-Y289 HydrophobicContact CD2-CE2 4.35Å; Y285-Y289 HydrophobicContact CE1-CD2 4.43Å; Y285-Y289 AromaticContact CE2-CD2 3.92Å; Y285-Y289 HydrophobicContact CE2-CD2 3.92Å; Y285-Y289 HydrophobicContact CE2-CE2 4.19Å; Y285-Y289 HydrophobicContact CG-CD2 4.05Å; Y285-Y289 CarbonylContact O-C 3.59Å; Y285-Y289 WeakPolarHBondContact O-CA 3.23Å; Y285-Y289 PolarHBondContact O-N 3.42Å; Y285-E290 PolarHBondContact O-N 3Å; Y285-F293 HydrophobicContact CD1-CB 4.37Å; Y285-F293 HydrophobicContact CD1-CD2 4.15Å; Y285-F293 HydrophobicContact CD1-CG 4.35Å |
| 286 | A | 93.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64 | -27.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | A282 F293 L297 F327 V331 | A282-A286 VanDerWaalsContact O-CB 3.27Å; A282-A286 WeakPolarHBondContact O-CB 3.24Å; A282-A286 PolarHBondContact O-N 3.46Å; A286-F293 HydrophobicContact CB-CD1 4.14Å; A286-F293 HydrophobicContact CB-CE1 4.09Å; A286-L297 HydrophobicContact CB-CD1 4.05Å; A286-F327 HydrophobicContact CB-CE2 4.31Å; A286-V331 HydrophobicContact CB-CG2 4.4Å |
| 287 | S | 92.2 | Very high | 94.8 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 34% | 0.336 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -89.2 | -38.1 | 179.4 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | S283 L284 Y285 R334 | S283-S287 VanDerWaalsContact O-CB 3.26Å; S283-S287 WeakPolarHBondContact O-CB 3.32Å; S283-S287 PolarHBondContact O-N 3.41Å; S283-S287 PolarHBondContact O-OG 2.88Å; L284-S287 PolarHBondContact O-N 3.03Å; L284-S287 PolarHBondContact O-OG 2.9Å; Y285-S287 PolarHBondContact O-N 3.31Å; S287-R334 PolarHBondContact O-NH2 3.13Å |
| 288 | K | 93 | Very high | 94.8 | Very high | 97 Ų | 97 | 33.8 Ų | 33.8 | 42% | 0.422 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -112.1 | -30.8 | -168.1 | -164.6 | 173.5 | 168.7 | 175.3 | 0 | 114.7 | C227 Q228 L284 | C227-K288 PolarHBondContact O-NZ 3.28Å; Q228-K288 PolarHBondContact O-NZ 3.32Å; L284-K288 HydrophobicContact CD1-CB 4.29Å; L284-K288 HydrophobicContact CD1-CD 4.21Å; L284-K288 WeakPolarHBondContact O-CB 3.3Å; L284-K288 PolarHBondContact O-N 3.01Å |
| 289 | Y | 94.7 | Very high | 94.7 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -125 | 39.3 | -174.8 | -46.2 | -50.8 | 0 | 0 | 0 | 110.7 | N226 D229 L230 L284 Y285 P291 F293 | N226-Y289 VanDerWaalsContact O-CE2 3.26Å; N226-Y289 WeakPolarHBondContact O-CE2 3.32Å; N226-Y289 PolarHBondContact O-OH 3.29Å; D229-Y289 WeakPolarHBondContact CA-OH 3.37Å; D229-Y289 PolarHBondContact N-OH 3.02Å; D229-Y289 PolarHBondContact O-OH 3.46Å; D229-Y289 VanDerWaalsContact O-OH 3.1Å; L230-Y289 HydrophobicContact CB-CD1 3.58Å; L230-Y289 HydrophobicContact CB-CD2 4.18Å; L230-Y289 HydrophobicContact CB-CE1 3.69Å; L230-Y289 HydrophobicContact CB-CE2 4.28Å; L230-Y289 HydrophobicContact CB-CG 3.85Å; L230-Y289 HydrophobicContact CD1-CD2 4.43Å; L230-Y289 HydrophobicContact CD2-CG 4.35Å; L230-Y289 HydrophobicContact CG-CG 4.5Å; L230-Y289 VanDerWaalsContact N-CE1 3.31Å; L230-Y289 PolarHBondContact N-OH 3.03Å; L284-Y289 HydrophobicContact CD2-CE2 4.39Å; L284-Y289 HydrophobicContact CG-CE2 4.25Å; Y285-Y289 HydrophobicContact CD1-CD2 4.33Å; Y285-Y289 AromaticContact CD2-CD2 3.85Å; Y285-Y289 HydrophobicContact CD2-CD2 3.85Å; Y285-Y289 HydrophobicContact CD2-CE2 4.35Å; Y285-Y289 HydrophobicContact CE1-CD2 4.43Å; Y285-Y289 AromaticContact CE2-CD2 3.92Å; Y285-Y289 HydrophobicContact CE2-CD2 3.92Å; Y285-Y289 HydrophobicContact CE2-CE2 4.19Å; Y285-Y289 HydrophobicContact CG-CD2 4.05Å; Y285-Y289 CarbonylContact O-C 3.59Å; Y285-Y289 WeakPolarHBondContact O-CA 3.23Å; Y285-Y289 PolarHBondContact O-N 3.42Å; Y289-P291 VanDerWaalsContact C-CD 3.48Å; Y289-F293 VanDerWaalsContact O-CB 3.25Å; Y289-F293 WeakPolarHBondContact O-CB 3.4Å; Y289-F293 PolarHBondContact O-N 2.9Å; Y289-F293 VanDerWaalsContact O-N 3.09Å |
| 290 | E | 92.2 | Very high | 94.8 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | -173.1 | -178.2 | -79.9 | 161.1 | 0 | 0 | 113.5 | Y285 E292 F293 A294 Q336 H337 | Y285-E290 PolarHBondContact O-N 3Å; E290-E292 VanDerWaalsContact C-N 3.29Å; E290-E292 PolarHBondContact O-N 2.68Å; E290-F293 PolarHBondContact O-N 2.99Å; E290-F293 VanDerWaalsContact O-N 3.12Å; E290-A294 WeakPolarHBondContact O-CB 3.46Å; E290-A294 PolarHBondContact O-N 3.05Å; E290-Q336 PolarHBondContact OE1-NE2 3.27Å; E290-Q336 PolarHBondContact OE2-NE2 3.05Å; E290-H337 WeakPolarHBondContact CG-NE2 3.14Å; E290-H337 IonicContact OE1-CE1 2.73Å; E290-H337 PolarHBondContact OE1-CE1 2.9Å; E290-H337 IonicContact OE1-NE2 3.88Å; E290-H337 PolarHBondContact OE1-NE2 3.45Å |
| 291 | P | 93.7 | Very high | 94.8 | Very high | 93 Ų | 93 | 32.4 Ų | 32.4 | 60% | 0.604 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -57.3 | -41.5 | -176.3 | -26.8 | 35.7 | 0 | 0 | 0 | 113.1 | Y289 | Y289-P291 VanDerWaalsContact C-CD 3.48Å |
| 292 | E | 95.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 35.4 Ų | 35.4 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -77.6 | -34.6 | 179.4 | -58 | 75.5 | -163.2 | 0 | 0 | 111.4 | L230 E235 M238 E290 | L230-E292 HydrophobicContact CD2-CB 4.19Å; L230-E292 HydrophobicContact CD2-CG 3.95Å; E235-E292 HydrophobicContact CG-CG 4.49Å; M238-E292 HydrophobicContact CE-CB 3.57Å; M238-E292 HydrophobicContact SD-CB 4.18Å; M238-E292 VanDerWaalsContact SD-O 3.39Å; E290-E292 VanDerWaalsContact C-N 3.29Å; E290-E292 PolarHBondContact O-N 2.68Å |
| 293 | F | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -81.5 | -18.6 | -177.6 | -173.5 | -125.1 | 0 | 0 | 0 | 114.3 | M242 A282 Y285 A286 Y289 E290 S295 Y296 L297 F300 | M242-F293 HydrophobicContact CE-CD2 4.17Å; M242-F293 HydrophobicContact CE-CE2 4.26Å; M242-F293 HydrophobicContact CG-CD2 4.38Å; M242-F293 HydrophobicContact CG-CE2 4.18Å; M242-F293 HydrophobicContact SD-CD2 3.91Å; M242-F293 HydrophobicContact SD-CE2 3.47Å; M242-F293 WeakPolarHBondContact SD-CE2 3.4Å; A282-F293 HydrophobicContact CB-CZ 4.34Å; Y285-F293 HydrophobicContact CD1-CB 4.37Å; Y285-F293 HydrophobicContact CD1-CD2 4.15Å; Y285-F293 HydrophobicContact CD1-CG 4.35Å; A286-F293 HydrophobicContact CB-CD1 4.14Å; A286-F293 HydrophobicContact CB-CE1 4.09Å; Y289-F293 VanDerWaalsContact O-CB 3.25Å; Y289-F293 WeakPolarHBondContact O-CB 3.4Å; Y289-F293 PolarHBondContact O-N 2.9Å; Y289-F293 VanDerWaalsContact O-N 3.09Å; E290-F293 PolarHBondContact O-N 2.99Å; E290-F293 VanDerWaalsContact O-N 3.12Å; F293-S295 VanDerWaalsContact C-N 3.28Å; F293-S295 PolarHBondContact O-N 2.82Å; F293-S295 VanDerWaalsContact O-N 3.08Å; F293-Y296 HydrophobicContact CD2-CD2 4.33Å; F293-Y296 PolarHBondContact O-N 2.79Å; F293-L297 HydrophobicContact CD1-CB 4.42Å; F293-L297 HydrophobicContact CD1-CD1 4Å; F293-L297 HydrophobicContact CE1-CB 4.32Å; F293-L297 HydrophobicContact CE1-CD1 3.49Å; F293-L297 VanDerWaalsContact CE1-CD1 3.49Å; F293-L297 HydrophobicContact CZ-CD1 4.39Å; F293-L297 PolarHBondContact O-N 3.37Å; F293-F300 AromaticContact CE2-CD2 3.82Å; F293-F300 HydrophobicContact CE2-CD2 3.82Å; F293-F300 AromaticContact CE2-CE2 3.58Å; F293-F300 HydrophobicContact CE2-CE2 3.58Å; F293-F300 HydrophobicContact CE2-CZ 4.26Å; F293-F300 AromaticContact CZ-CD2 3.55Å; F293-F300 HydrophobicContact CZ-CD2 3.55Å; F293-F300 AromaticContact CZ-CE2 3.76Å; F293-F300 HydrophobicContact CZ-CE2 3.76Å; F293-F300 HydrophobicContact CZ-CG 4.02Å; F293-F300 HydrophobicContact CZ-CZ 4.37Å |
| 294 | A | 94.2 | Very high | 94.7 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -37.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E290 Y296 | E290-A294 WeakPolarHBondContact O-CB 3.46Å; E290-A294 PolarHBondContact O-N 3.05Å; A294-Y296 VanDerWaalsContact C-N 3.29Å; A294-Y296 PolarHBondContact O-N 3.2Å |
| 295 | S | 95.1 | Very high | 94.5 | Very high | 95 Ų | 95 | 35.5 Ų | 35.5 | 66% | 0.664 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23.4 | 179.9 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | F293 | F293-S295 VanDerWaalsContact C-N 3.28Å; F293-S295 PolarHBondContact O-N 2.82Å; F293-S295 VanDerWaalsContact O-N 3.08Å |
| 296 | Y | 96.4 | Very high | 94.2 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -25.5 | -179 | -55.4 | -81.1 | 0 | 0 | 0 | 112.2 | M238 Q239 M242 F293 A294 P298 G299 F300 | M238-Y296 HydrophobicContact CG-CD2 4.36Å; M238-Y296 HydrophobicContact CG-CE2 3.85Å; M238-Y296 HydrophobicContact SD-CD2 4.04Å; M238-Y296 HydrophobicContact SD-CE2 3.69Å; Q239-Y296 HydrophobicContact CB-CE1 4.43Å; Q239-Y296 HydrophobicContact CG-CE1 4.48Å; M242-Y296 HydrophobicContact CB-CD1 3.72Å; M242-Y296 HydrophobicContact CB-CE1 4.18Å; M242-Y296 HydrophobicContact CB-CG 4Å; M242-Y296 HydrophobicContact CG-CD1 3.98Å; M242-Y296 HydrophobicContact CG-CD2 4.03Å; M242-Y296 HydrophobicContact CG-CE1 4.39Å; M242-Y296 HydrophobicContact CG-CE2 4.45Å; M242-Y296 HydrophobicContact CG-CG 3.77Å; F293-Y296 HydrophobicContact CD2-CD2 4.33Å; F293-Y296 PolarHBondContact O-N 2.79Å; A294-Y296 VanDerWaalsContact C-N 3.29Å; A294-Y296 PolarHBondContact O-N 3.2Å; Y296-P298 VanDerWaalsContact C-CD 3.46Å; Y296-G299 PolarHBondContact O-N 3.47Å; Y296-F300 PolarHBondContact O-N 3.46Å |
| 297 | L | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -51 | -44.9 | -173.1 | -174.3 | 70.9 | 0 | 0 | 0 | 114.5 | A286 F293 G299 F300 V301 F327 V331 H337 L340 | A286-L297 HydrophobicContact CB-CD1 4.05Å; F293-L297 HydrophobicContact CD1-CB 4.42Å; F293-L297 HydrophobicContact CD1-CD1 4Å; F293-L297 HydrophobicContact CE1-CB 4.32Å; F293-L297 HydrophobicContact CE1-CD1 3.49Å; F293-L297 VanDerWaalsContact CE1-CD1 3.49Å; F293-L297 HydrophobicContact CZ-CD1 4.39Å; F293-L297 PolarHBondContact O-N 3.37Å; L297-G299 PolarHBondContact O-N 3.05Å; L297-F300 PolarHBondContact O-N 2.81Å; L297-F300 VanDerWaalsContact O-N 3.14Å; L297-V301 HydrophobicContact CG-CG2 4.45Å; L297-V301 WeakPolarHBondContact O-CG2 3.44Å; L297-V301 PolarHBondContact O-N 3.24Å; L297-F327 HydrophobicContact CD1-CE2 4.17Å; L297-F327 HydrophobicContact CD1-CZ 3.95Å; L297-V331 HydrophobicContact CD1-CG2 3.83Å; L297-V331 HydrophobicContact CD2-CG1 3.98Å; L297-V331 HydrophobicContact CG-CG1 4.46Å; L297-H337 HydrophobicContact CD2-CB 4.13Å; L297-H337 VanDerWaalsContact CD2-CD2 3.44Å; L297-H337 WeakPolarHBondContact CD2-CD2 3.37Å; L297-H337 VanDerWaalsContact CD2-CE1 3.48Å; L297-H337 WeakPolarHBondContact CD2-CE1 3.44Å; L297-H337 VanDerWaalsContact CD2-CG 3.43Å; L297-H337 WeakPolarHBondContact CD2-ND1 3.45Å; L297-H337 WeakPolarHBondContact CD2-NE2 3.24Å; L297-L340 HydrophobicContact CD2-CD1 4.34Å; L297-L340 HydrophobicContact CG-CD1 4.46Å |
| 298 | P | 95.4 | Very high | 94 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.8 | -35.6 | 179.2 | -23.9 | 34.6 | 0 | 0 | 0 | 113 | Y296 V301 T302 L340 | Y296-P298 VanDerWaalsContact C-CD 3.46Å; P298-V301 PolarHBondContact O-N 3.21Å; P298-T302 PolarHBondContact O-N 2.78Å; P298-T302 PolarHBondContact O-OG1 3.24Å; P298-T302 VanDerWaalsContact O-OG1 3.11Å; P298-L340 HydrophobicContact CB-CD2 3.97Å; P298-L340 HydrophobicContact CG-CD2 4.06Å |
| 299 | G | 95.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y296 L297 T302 D303 | Y296-G299 PolarHBondContact O-N 3.47Å; L297-G299 PolarHBondContact O-N 3.05Å; G299-T302 PolarHBondContact O-N 2.53Å; G299-D303 PolarHBondContact O-N 3.08Å |
| 300 | F | 97.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 175.4 | -79.6 | -91.1 | 0 | 0 | 0 | 112.2 | M242 F245 R246 L249 V278 A282 F293 Y296 L297 T302 D303 V304 F327 | M242-F300 HydrophobicContact CB-CE2 4.03Å; M242-F300 HydrophobicContact CB-CZ 4.31Å; M242-F300 HydrophobicContact CG-CE2 4.26Å; M242-F300 HydrophobicContact SD-CE2 3.89Å; M242-F300 HydrophobicContact SD-CZ 3.81Å; F245-F300 HydrophobicContact CB-CE1 3.81Å; F245-F300 HydrophobicContact CB-CZ 3.82Å; R246-F300 HydrophobicContact CG-CD1 4.38Å; R246-F300 HydrophobicContact CG-CD2 4.14Å; R246-F300 HydrophobicContact CG-CE1 4.09Å; R246-F300 HydrophobicContact CG-CE2 3.82Å; R246-F300 HydrophobicContact CG-CG 4.41Å; R246-F300 HydrophobicContact CG-CZ 3.8Å; L249-F300 HydrophobicContact CD1-CD1 3.87Å; L249-F300 HydrophobicContact CD1-CE1 4.22Å; V278-F300 HydrophobicContact CG1-CE1 4.18Å; A282-F300 HydrophobicContact CB-CD1 3.91Å; A282-F300 HydrophobicContact CB-CE1 4.17Å; F293-F300 AromaticContact CE2-CD2 3.82Å; F293-F300 HydrophobicContact CE2-CD2 3.82Å; F293-F300 AromaticContact CE2-CE2 3.58Å; F293-F300 HydrophobicContact CE2-CE2 3.58Å; F293-F300 HydrophobicContact CE2-CZ 4.26Å; F293-F300 AromaticContact CZ-CD2 3.55Å; F293-F300 HydrophobicContact CZ-CD2 3.55Å; F293-F300 AromaticContact CZ-CE2 3.76Å; F293-F300 HydrophobicContact CZ-CE2 3.76Å; F293-F300 HydrophobicContact CZ-CG 4.02Å; F293-F300 HydrophobicContact CZ-CZ 4.37Å; Y296-F300 PolarHBondContact O-N 3.46Å; L297-F300 PolarHBondContact O-N 2.81Å; L297-F300 VanDerWaalsContact O-N 3.14Å; F300-T302 VanDerWaalsContact C-N 3.34Å; F300-T302 PolarHBondContact O-N 2.85Å; F300-D303 PolarHBondContact O-N 3.32Å; F300-V304 WeakPolarHBondContact O-CB 3.46Å; F300-V304 VanDerWaalsContact O-CG2 3.28Å; F300-V304 WeakPolarHBondContact O-CG2 3.3Å; F300-V304 PolarHBondContact O-N 2.87Å; F300-F327 HydrophobicContact CB-CE1 4.22Å; F300-F327 HydrophobicContact CB-CZ 3.83Å |
| 301 | V | 95.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L297 P298 W305 F327 L328 V331 L340 F341 | L297-V301 HydrophobicContact CG-CG2 4.45Å; L297-V301 WeakPolarHBondContact O-CG2 3.44Å; L297-V301 PolarHBondContact O-N 3.24Å; P298-V301 PolarHBondContact O-N 3.21Å; V301-W305 WeakPolarHBondContact O-CB 3.1Å; V301-W305 PolarHBondContact O-N 2.79Å; V301-F327 HydrophobicContact CG2-CE1 4.13Å; V301-F327 HydrophobicContact CG2-CZ 4.27Å; V301-L328 HydrophobicContact CG1-CD2 4.33Å; V301-V331 HydrophobicContact CG2-CG1 4.3Å; V301-V331 HydrophobicContact CG2-CG2 4.44Å; V301-L340 HydrophobicContact CG2-CD1 4.08Å; V301-F341 HydrophobicContact CG1-CE1 3.87Å; V301-F341 HydrophobicContact CG1-CE2 4.43Å; V301-F341 HydrophobicContact CG1-CZ 3.58Å; V301-F341 HydrophobicContact CG2-CZ 4.22Å |
| 302 | T | 94.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 41% | 0.405 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | P298 G299 F300 V304 W305 E306 | P298-T302 PolarHBondContact O-N 2.78Å; P298-T302 PolarHBondContact O-OG1 3.24Å; P298-T302 VanDerWaalsContact O-OG1 3.11Å; G299-T302 PolarHBondContact O-N 2.53Å; F300-T302 VanDerWaalsContact C-N 3.34Å; F300-T302 PolarHBondContact O-N 2.85Å; T302-V304 PolarHBondContact O-N 2.66Å; T302-W305 WeakPolarHBondContact O-CB 3.49Å; T302-W305 PolarHBondContact O-N 3.49Å; T302-E306 HydrophobicContact CG2-CG 4.46Å; T302-E306 WeakPolarHBondContact O-CG 3.23Å; T302-E306 PolarHBondContact O-N 3.48Å |
| 303 | D | 94.9 | Very high | 91.3 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | -177.6 | -62.7 | -25.5 | 0 | 0 | 0 | 111.6 | R246 L249 Q250 G299 F300 M307 | R246-D303 WeakPolarHBondContact CB-OD2 3.34Å; R246-D303 WeakPolarHBondContact CG-OD2 3.4Å; R246-D303 IonicContact CZ-OD1 3.76Å; R246-D303 IonicContact CZ-OD2 2.77Å; R246-D303 IonicContact NE-OD1 3.59Å; R246-D303 IonicContact NE-OD2 3.08Å; R246-D303 PolarHBondContact NE-OD2 3.19Å; R246-D303 IonicContact NH2-OD1 2.73Å; R246-D303 PolarHBondContact NH2-OD1 2.84Å; R246-D303 IonicContact NH2-OD2 3.9Å; R246-D303 PolarHBondContact NH2-OD2 3.31Å; L249-D303 HydrophobicContact CB-CB 4.27Å; L249-D303 HydrophobicContact CD1-CB 4.11Å; Q250-D303 PolarHBondContact NE2-OD1 2.84Å; G299-D303 PolarHBondContact O-N 3.08Å; F300-D303 PolarHBondContact O-N 3.32Å; D303-M307 VanDerWaalsContact O-CB 3.23Å; D303-M307 WeakPolarHBondContact O-CB 3.47Å; D303-M307 PolarHBondContact O-N 3.29Å |
| 304 | V | 94.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L249 F300 T302 M307 L308 A324 F327 L328 | L249-V304 HydrophobicContact CD1-CG2 4.12Å; F300-V304 WeakPolarHBondContact O-CB 3.46Å; F300-V304 VanDerWaalsContact O-CG2 3.28Å; F300-V304 WeakPolarHBondContact O-CG2 3.3Å; F300-V304 PolarHBondContact O-N 2.87Å; T302-V304 PolarHBondContact O-N 2.66Å; V304-M307 HydrophobicContact CG1-CE 4.26Å; V304-M307 PolarHBondContact O-N 3.43Å; V304-L308 HydrophobicContact CG1-CD1 4.17Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 2.93Å; V304-A324 HydrophobicContact CG1-CB 3.79Å; V304-F327 HydrophobicContact CB-CD1 4.19Å; V304-F327 HydrophobicContact CB-CE1 4.37Å; V304-F327 HydrophobicContact CG1-CD1 4.13Å; V304-F327 HydrophobicContact CG2-CD1 3.91Å; V304-F327 HydrophobicContact CG2-CE1 4.07Å; V304-L328 HydrophobicContact CG1-CD2 4.35Å; V304-L328 HydrophobicContact CG1-CG 4.3Å |
| 305 | W | 90.8 | Very high | 89.8 | Confident | 49 Ų | 49 | 48 Ų | 48 | 19% | 0.186 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -51.7 | 175.7 | 172.4 | -104.1 | 0 | 0 | 0 | 112 | V301 T302 M307 L308 L309 K349 L350 V354 | V301-W305 WeakPolarHBondContact O-CB 3.1Å; V301-W305 PolarHBondContact O-N 2.79Å; T302-W305 WeakPolarHBondContact O-CB 3.49Å; T302-W305 PolarHBondContact O-N 3.49Å; W305-M307 VanDerWaalsContact C-N 3.28Å; W305-M307 PolarHBondContact O-N 3.39Å; W305-L308 PolarHBondContact O-N 2.97Å; W305-L309 HydrophobicContact CH2-CD2 4.33Å; W305-L309 HydrophobicContact CZ2-CD1 4.05Å; W305-L309 HydrophobicContact CZ2-CD2 4.1Å; W305-L309 HydrophobicContact CZ2-CG 4.32Å; W305-L309 WeakPolarHBondContact O-CG 3.47Å; W305-L309 PolarHBondContact O-N 3.02Å; W305-L309 VanDerWaalsContact O-N 3.11Å; W305-K349 HydrophobicContact CH2-CB 3.95Å; W305-K349 HydrophobicContact CZ2-CB 3.88Å; W305-L350 HydrophobicContact CE3-CD1 4.14Å; W305-L350 HydrophobicContact CH2-CB 4.14Å; W305-L350 HydrophobicContact CH2-CD1 4.4Å; W305-L350 HydrophobicContact CZ3-CB 4.01Å; W305-L350 HydrophobicContact CZ3-CD1 3.46Å; W305-L350 VanDerWaalsContact CZ3-CD1 3.46Å; W305-L350 HydrophobicContact CZ3-CG 4.33Å; W305-V354 HydrophobicContact CE3-CG2 4.14Å; W305-V354 HydrophobicContact CH2-CG2 4.06Å; W305-V354 HydrophobicContact CZ3-CB 4.5Å; W305-V354 HydrophobicContact CZ3-CG2 3.45Å; W305-V354 VanDerWaalsContact CZ3-CG2 3.45Å |
| 306 | E | 90.3 | Very high | 89 | Confident | 119 Ų | 119 | 46.5 Ų | 46.5 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.7 | -39.6 | 177.7 | -72.1 | -179.6 | 178 | 0 | 0 | 111.7 | T302 L309 G310 | T302-E306 HydrophobicContact CG2-CG 4.46Å; T302-E306 WeakPolarHBondContact O-CG 3.23Å; T302-E306 PolarHBondContact O-N 3.48Å; E306-L309 PolarHBondContact O-N 3.19Å; E306-G310 PolarHBondContact O-N 2.93Å |
| 307 | M | 91.3 | Very high | 88.4 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 174.3 | 177.5 | -177.5 | 72.3 | 0 | 0 | 111.7 | L249 K275 D303 V304 W305 L309 G310 I311 L320 A324 | L249-M307 HydrophobicContact CD2-SD 4.28Å; K275-M307 HydrophobicContact CB-SD 4.15Å; K275-M307 HydrophobicContact CD-SD 3.75Å; K275-M307 HydrophobicContact CG-SD 4.41Å; D303-M307 VanDerWaalsContact O-CB 3.23Å; D303-M307 WeakPolarHBondContact O-CB 3.47Å; D303-M307 PolarHBondContact O-N 3.29Å; V304-M307 HydrophobicContact CG1-CE 4.26Å; V304-M307 PolarHBondContact O-N 3.43Å; W305-M307 VanDerWaalsContact C-N 3.28Å; W305-M307 PolarHBondContact O-N 3.39Å; M307-L309 VanDerWaalsContact C-N 3.26Å; M307-L309 PolarHBondContact O-N 2.69Å; M307-G310 PolarHBondContact O-N 3.47Å; M307-G310 VanDerWaalsContact O-N 3.1Å; M307-I311 HydrophobicContact CG-CD1 3.54Å; M307-I311 HydrophobicContact CG-CG1 4.25Å; M307-I311 VanDerWaalsContact O-CG1 3.26Å; M307-I311 WeakPolarHBondContact O-CG1 3.44Å; M307-I311 PolarHBondContact O-N 3.33Å; M307-I311 HydrophobicContact SD-CD1 4.29Å; M307-L320 HydrophobicContact CE-CD1 3.78Å; M307-L320 HydrophobicContact CE-CG 4.33Å; M307-L320 HydrophobicContact SD-CD1 4.01Å; M307-L320 HydrophobicContact SD-CD2 4.2Å; M307-L320 HydrophobicContact SD-CG 4.44Å; M307-A324 HydrophobicContact CE-CB 3.87Å |
| 308 | L | 90.2 | Very high | 88 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -32.3 | 178.9 | -77.8 | 171.8 | 0 | 0 | 0 | 112.8 | V304 W305 G310 I321 A324 I325 L328 V354 | V304-L308 HydrophobicContact CG1-CD1 4.17Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 2.93Å; W305-L308 PolarHBondContact O-N 2.97Å; L308-G310 VanDerWaalsContact C-N 3.31Å; L308-G310 PolarHBondContact O-N 3.3Å; L308-I321 HydrophobicContact CD2-CG1 4.13Å; L308-I321 HydrophobicContact CD2-CG2 4.37Å; L308-A324 HydrophobicContact CD1-CB 4.15Å; L308-A324 HydrophobicContact CD2-CB 3.84Å; L308-A324 HydrophobicContact CG-CB 4.06Å; L308-I325 HydrophobicContact CD1-CG1 4.4Å; L308-I325 HydrophobicContact CD2-CG1 4.47Å; L308-L328 HydrophobicContact CD1-CD1 3.63Å; L308-V354 HydrophobicContact CB-CG2 4.29Å; L308-V354 HydrophobicContact CD1-CG1 4.16Å |
| 309 | L | 87.3 | Confident | 87.4 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 45% | 0.45 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.6 | -24.5 | 176 | -68.4 | 178.7 | 0 | 0 | 0 | 113.5 | W305 E306 M307 K353 | W305-L309 HydrophobicContact CH2-CD2 4.33Å; W305-L309 HydrophobicContact CZ2-CD1 4.05Å; W305-L309 HydrophobicContact CZ2-CD2 4.1Å; W305-L309 HydrophobicContact CZ2-CG 4.32Å; W305-L309 WeakPolarHBondContact O-CG 3.47Å; W305-L309 PolarHBondContact O-N 3.02Å; W305-L309 VanDerWaalsContact O-N 3.11Å; E306-L309 PolarHBondContact O-N 3.19Å; M307-L309 VanDerWaalsContact C-N 3.26Å; M307-L309 PolarHBondContact O-N 2.69Å; L309-K353 HydrophobicContact CD2-CB 3.51Å; L309-K353 HydrophobicContact CD2-CG 4.08Å |
| 310 | G | 82.8 | Confident | 87.1 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -97.4 | -14.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E306 M307 L308 | E306-G310 PolarHBondContact O-N 2.93Å; M307-G310 PolarHBondContact O-N 3.47Å; M307-G310 VanDerWaalsContact O-N 3.1Å; L308-G310 VanDerWaalsContact C-N 3.31Å; L308-G310 PolarHBondContact O-N 3.3Å |
| 311 | I | 83.9 | Confident | 86.8 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | trans | -79 | 138.7 | -176.6 | -69.7 | 164.4 | 0 | 0 | 0 | 111.1 | M307 Y317 L320 I321 | M307-I311 HydrophobicContact CG-CD1 3.54Å; M307-I311 HydrophobicContact CG-CG1 4.25Å; M307-I311 VanDerWaalsContact O-CG1 3.26Å; M307-I311 WeakPolarHBondContact O-CG1 3.44Å; M307-I311 PolarHBondContact O-N 3.33Å; M307-I311 HydrophobicContact SD-CD1 4.29Å; I311-Y317 HydrophobicContact CG2-CD1 3.96Å; I311-Y317 HydrophobicContact CG2-CD2 3.77Å; I311-Y317 HydrophobicContact CG2-CE2 4.43Å; I311-Y317 HydrophobicContact CG2-CG 3.51Å; I311-L320 HydrophobicContact CD1-CD2 3.61Å; I311-L320 HydrophobicContact CD1-CG 4.07Å; I311-I321 HydrophobicContact CB-CD1 4.45Å; I311-I321 HydrophobicContact CD1-CG1 4.47Å; I311-I321 HydrophobicContact CG2-CD1 3.56Å; I311-I321 HydrophobicContact CG2-CG1 4.04Å | ||
| 312 | S | 80.8 | Confident | 86.5 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | trans | -82.9 | 167.5 | 177.5 | 79 | 0 | 0 | 0 | 0 | 113.2 | Q314 Y317 | S312-Q314 PolarHBondContact O-N 3.43Å; S312-Q314 VanDerWaalsContact O-N 3.11Å; S312-Q314 WeakPolarHBondContact OG-CG 3.49Å; S312-Y317 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 313 | A | 76.6 | Confident | 86.3 | Confident | 77 Ų | 77 | 46.7 Ų | 46.7 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -72.2 | 0.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R389 | A313-R389 VanDerWaalsContact C-NH1 3.33Å; A313-R389 PolarHBondContact O-NH1 2.72Å |
| 314 | Q | 80.1 | Confident | 86.3 | Confident | 105 Ų | 105 | 46.2 Ų | 46.2 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | trans | -63.1 | 143.4 | -175.3 | -66.9 | 173.4 | -5.9 | 0 | 0 | 113.3 | S312 K316 Y317 R389 | S312-Q314 PolarHBondContact O-N 3.43Å; S312-Q314 VanDerWaalsContact O-N 3.11Å; S312-Q314 WeakPolarHBondContact OG-CG 3.49Å; Q314-K316 VanDerWaalsContact C-N 3.28Å; Q314-K316 HydrophobicContact CB-CG 4.35Å; Q314-K316 PolarHBondContact O-N 3.46Å; Q314-K316 VanDerWaalsContact OE1-CE 3.28Å; Q314-Y317 HydrophobicContact CB-CD2 3.97Å; Q314-Y317 HydrophobicContact CB-CE2 4.07Å; Q314-Y317 PolarHBondContact O-N 3.23Å; Q314-R389 PolarHBondContact O-NH2 3.24Å | ||
| 315 | T | 78.8 | Confident | 86.2 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -59.6 | -29.5 | -174.1 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | Y317 D318 L364 | T315-Y317 PolarHBondContact O-N 3.06Å; T315-Y317 VanDerWaalsContact O-N 3.14Å; T315-D318 WeakPolarHBondContact CA-OD1 3.49Å; T315-D318 VanDerWaalsContact O-CB 3.26Å; T315-D318 WeakPolarHBondContact O-CB 3.4Å; T315-D318 PolarHBondContact O-N 3.47Å; T315-L364 HydrophobicContact CG2-CD2 4.01Å |
| 316 | K | 77.3 | Confident | 86.2 | Confident | 63 Ų | 63 | 45.3 Ų | 45.3 | 27% | 0.274 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -57.6 | -28.7 | 178.1 | 66.3 | 176.1 | -171.8 | 157.2 | 0 | 113.6 | D260 E272 Q314 D318 | D260-K316 IonicContact OD1-NZ 3.65Å; D260-K316 PolarHBondContact OD1-NZ 3.23Å; D260-K316 VanDerWaalsContact OD1-NZ 3.08Å; E272-K316 VanDerWaalsContact OE1-CE 3.31Å; E272-K316 WeakPolarHBondContact OE1-CE 3.48Å; E272-K316 IonicContact OE1-NZ 2.7Å; E272-K316 PolarHBondContact OE1-NZ 2.86Å; E272-K316 VanDerWaalsContact OE1-NZ 3.11Å; Q314-K316 VanDerWaalsContact C-N 3.28Å; Q314-K316 HydrophobicContact CB-CG 4.35Å; Q314-K316 PolarHBondContact O-N 3.46Å; Q314-K316 VanDerWaalsContact OE1-CE 3.28Å; K316-D318 VanDerWaalsContact C-N 3.34Å; K316-D318 PolarHBondContact O-N 3.26Å |
| 317 | Y | 85.2 | Confident | 86.4 | Confident | 46 Ų | 46 | 39.7 Ų | 39.7 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -86.1 | 4.1 | 177.9 | -53.1 | -71.6 | 0 | 0 | 0 | 114.2 | E272 I311 S312 Q314 T315 L319 L320 I321 | E272-Y317 HydrophobicContact CG-CD1 3.77Å; E272-Y317 HydrophobicContact CG-CE1 3.64Å; E272-Y317 WeakPolarHBondContact OE1-CE1 3.37Å; I311-Y317 HydrophobicContact CG2-CD1 3.96Å; I311-Y317 HydrophobicContact CG2-CD2 3.77Å; I311-Y317 HydrophobicContact CG2-CE2 4.43Å; I311-Y317 HydrophobicContact CG2-CG 3.51Å; S312-Y317 WeakPolarHBondContact OG-CE2 3.47Å; Q314-Y317 HydrophobicContact CB-CD2 3.97Å; Q314-Y317 HydrophobicContact CB-CE2 4.07Å; Q314-Y317 PolarHBondContact O-N 3.23Å; T315-Y317 PolarHBondContact O-N 3.06Å; T315-Y317 VanDerWaalsContact O-N 3.14Å; Y317-L319 PolarHBondContact O-N 3.16Å; Y317-L320 HydrophobicContact CD1-CD2 4.5Å; Y317-L320 PolarHBondContact O-N 3.2Å; Y317-I321 WeakPolarHBondContact O-CB 3.26Å; Y317-I321 PolarHBondContact O-N 3.14Å |
| 318 | D | 84.6 | Confident | 86.5 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | -174.5 | -80.6 | 18.9 | 0 | 0 | 0 | 112.6 | T315 K316 I321 G322 R362 R389 | T315-D318 WeakPolarHBondContact CA-OD1 3.49Å; T315-D318 VanDerWaalsContact O-CB 3.26Å; T315-D318 WeakPolarHBondContact O-CB 3.4Å; T315-D318 PolarHBondContact O-N 3.47Å; K316-D318 VanDerWaalsContact C-N 3.34Å; K316-D318 PolarHBondContact O-N 3.26Å; D318-I321 PolarHBondContact O-N 3.2Å; D318-G322 PolarHBondContact O-N 3.47Å; D318-R362 VanDerWaalsContact CG-NH1 3.35Å; D318-R362 IonicContact OD1-CZ 2.81Å; D318-R362 IonicContact OD1-NH1 2.73Å; D318-R362 PolarHBondContact OD1-NH1 3.03Å; D318-R362 IonicContact OD1-NH2 3.15Å; D318-R362 IonicContact OD2-CZ 3.56Å; D318-R362 IonicContact OD2-NH1 3.66Å; D318-R362 PolarHBondContact OD2-NH1 2.93Å; D318-R362 VanDerWaalsContact OD2-NH1 3.08Å; D318-R362 IonicContact OD2-NH2 3.42Å; D318-R362 PolarHBondContact OD2-NH2 3.05Å; D318-R389 HydrophobicContact CB-CG 4.47Å; D318-R389 VanDerWaalsContact N-NH2 3.13Å; D318-R389 IonicContact OD1-CZ 2.71Å; D318-R389 IonicContact OD1-NE 3.6Å; D318-R389 PolarHBondContact OD1-NE 2.92Å; D318-R389 IonicContact OD1-NH1 2.76Å; D318-R389 IonicContact OD1-NH2 3.46Å; D318-R389 PolarHBondContact OD1-NH2 3Å |
| 319 | L | 83.7 | Confident | 86.7 | Confident | 92 Ų | 92 | 38.4 Ų | 38.4 | 48% | 0.482 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 179.6 | -174.8 | 65.1 | 0 | 0 | 0 | 111.8 | S276 Y317 G322 N323 | S276-L319 PolarHBondContact OG-O 2.76Å; Y317-L319 PolarHBondContact O-N 3.16Å; L319-G322 PolarHBondContact O-N 2.63Å; L319-N323 PolarHBondContact O-N 3Å |
| 320 | L | 90 | Very high | 86.9 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 178.9 | 174.3 | 58.5 | 0 | 0 | 0 | 111.6 | E272 K275 M307 I311 Y317 G322 N323 A324 | E272-L320 HydrophobicContact CB-CD2 4.48Å; K275-L320 HydrophobicContact CB-CD1 3.61Å; K275-L320 HydrophobicContact CB-CD2 4.29Å; K275-L320 HydrophobicContact CD-CD2 4.47Å; M307-L320 HydrophobicContact CE-CD1 3.78Å; M307-L320 HydrophobicContact CE-CG 4.33Å; M307-L320 HydrophobicContact SD-CD1 4.01Å; M307-L320 HydrophobicContact SD-CD2 4.2Å; M307-L320 HydrophobicContact SD-CG 4.44Å; I311-L320 HydrophobicContact CD1-CD2 3.61Å; I311-L320 HydrophobicContact CD1-CG 4.07Å; Y317-L320 HydrophobicContact CD1-CD2 4.5Å; Y317-L320 PolarHBondContact O-N 3.2Å; L320-G322 VanDerWaalsContact C-N 3.34Å; L320-N323 PolarHBondContact O-N 3.28Å; L320-A324 WeakPolarHBondContact O-CB 3.47Å; L320-A324 PolarHBondContact O-N 3.34Å |
| 321 | I | 90.4 | Very high | 87.5 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 178.1 | -73.7 | 168.7 | 0 | 0 | 0 | 110.5 | L308 I311 Y317 D318 A324 I325 R389 | L308-I321 HydrophobicContact CD2-CG1 4.13Å; L308-I321 HydrophobicContact CD2-CG2 4.37Å; I311-I321 HydrophobicContact CB-CD1 4.45Å; I311-I321 HydrophobicContact CD1-CG1 4.47Å; I311-I321 HydrophobicContact CG2-CD1 3.56Å; I311-I321 HydrophobicContact CG2-CG1 4.04Å; Y317-I321 WeakPolarHBondContact O-CB 3.26Å; Y317-I321 PolarHBondContact O-N 3.14Å; D318-I321 PolarHBondContact O-N 3.2Å; I321-A324 PolarHBondContact O-N 3.26Å; I321-I325 HydrophobicContact CG2-CD1 3.62Å; I321-I325 HydrophobicContact CG2-CG1 4.27Å; I321-I325 WeakPolarHBondContact O-CB 3.43Å; I321-I325 VanDerWaalsContact O-CG1 3.3Å; I321-I325 WeakPolarHBondContact O-CG1 3.37Å; I321-I325 PolarHBondContact O-N 2.9Å; I321-R389 HydrophobicContact CB-CG 4.34Å; I321-R389 HydrophobicContact CG2-CG 3.98Å |
| 322 | G | 89.1 | Confident | 87.9 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.1 | -52.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D318 L319 L320 I325 G326 | D318-G322 PolarHBondContact O-N 3.47Å; L319-G322 PolarHBondContact O-N 2.63Å; L320-G322 VanDerWaalsContact C-N 3.34Å; G322-I325 PolarHBondContact O-N 3.49Å; G322-G326 PolarHBondContact O-N 2.87Å |
| 323 | N | 90 | Very high | 88.4 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.2 | -37.4 | -179.7 | -69.2 | 7.2 | 0 | 0 | 0 | 112.4 | S276 C279 D280 L319 L320 G326 F327 Q387 | S276-N323 PolarHBondContact O-ND2 3.41Å; S276-N323 PolarHBondContact OG-ND2 3.07Å; C279-N323 HydrophobicContact CB-CB 4.07Å; D280-N323 VanDerWaalsContact CG-ND2 3.29Å; D280-N323 PolarHBondContact OD1-ND2 3.14Å; D280-N323 PolarHBondContact OD2-ND2 2.96Å; D280-N323 VanDerWaalsContact OD2-ND2 3.16Å; L319-N323 PolarHBondContact O-N 3Å; L320-N323 PolarHBondContact O-N 3.28Å; N323-G326 PolarHBondContact O-N 2.91Å; N323-F327 PolarHBondContact O-N 3.29Å; N323-Q387 PolarHBondContact OD1-OE1 3.24Å |
| 324 | A | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V304 M307 L308 L320 I321 G326 F327 L328 | V304-A324 HydrophobicContact CG1-CB 3.79Å; M307-A324 HydrophobicContact CE-CB 3.87Å; L308-A324 HydrophobicContact CD1-CB 4.15Å; L308-A324 HydrophobicContact CD2-CB 3.84Å; L308-A324 HydrophobicContact CG-CB 4.06Å; L320-A324 WeakPolarHBondContact O-CB 3.47Å; L320-A324 PolarHBondContact O-N 3.34Å; I321-A324 PolarHBondContact O-N 3.26Å; A324-G326 VanDerWaalsContact C-N 3.31Å; A324-F327 WeakPolarHBondContact O-CB 3.41Å; A324-F327 PolarHBondContact O-N 2.73Å; A324-L328 PolarHBondContact O-N 3.46Å; A324-L328 VanDerWaalsContact O-N 3.08Å |
| 325 | I | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 173.2 | -69.2 | 174.5 | 0 | 0 | 0 | 110.6 | L308 I321 G322 L328 S329 V354 N358 A392 L396 | L308-I325 HydrophobicContact CD1-CG1 4.4Å; L308-I325 HydrophobicContact CD2-CG1 4.47Å; I321-I325 HydrophobicContact CG2-CD1 3.62Å; I321-I325 HydrophobicContact CG2-CG1 4.27Å; I321-I325 WeakPolarHBondContact O-CB 3.43Å; I321-I325 VanDerWaalsContact O-CG1 3.3Å; I321-I325 WeakPolarHBondContact O-CG1 3.37Å; I321-I325 PolarHBondContact O-N 2.9Å; G322-I325 PolarHBondContact O-N 3.49Å; I325-L328 PolarHBondContact O-N 2.92Å; I325-S329 WeakPolarHBondContact O-CB 3.43Å; I325-S329 PolarHBondContact O-N 2.98Å; I325-S329 PolarHBondContact O-OG 3.17Å; I325-V354 HydrophobicContact CD1-CG1 4.18Å; I325-V354 HydrophobicContact CG1-CG1 4.1Å; I325-N358 HydrophobicContact CD1-CB 4.39Å; I325-A392 HydrophobicContact CB-CB 4.13Å; I325-A392 HydrophobicContact CG2-CB 3.89Å; I325-A392 VanDerWaalsContact CG2-O 3.28Å; I325-A392 WeakPolarHBondContact CG2-O 3.29Å; I325-L396 HydrophobicContact CG2-CB 3.79Å; I325-L396 HydrophobicContact CG2-CD2 3.96Å; I325-L396 HydrophobicContact CG2-CG 4.42Å |
| 326 | G | 91.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 32 Ų | 32 | 32% | 0.32 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G322 N323 A324 S329 C330 | G322-G326 PolarHBondContact O-N 2.87Å; N323-G326 PolarHBondContact O-N 2.91Å; A324-G326 VanDerWaalsContact C-N 3.31Å; G326-S329 PolarHBondContact O-N 2.85Å; G326-C330 WeakPolarHBondContact O-CB 3.33Å; G326-C330 PolarHBondContact O-N 3.1Å |
| 327 | F | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -51.6 | 173.8 | 170.4 | -109 | 0 | 0 | 0 | 111.6 | A282 S283 A286 L297 F300 V301 V304 N323 A324 S329 C330 V331 | A282-F327 HydrophobicContact CB-CD2 3.96Å; A282-F327 HydrophobicContact CB-CE2 3.71Å; A282-F327 HydrophobicContact CB-CZ 4.35Å; S283-F327 WeakPolarHBondContact OG-CA 3.19Å; S283-F327 WeakPolarHBondContact OG-CB 3.24Å; A286-F327 HydrophobicContact CB-CE2 4.31Å; L297-F327 HydrophobicContact CD1-CE2 4.17Å; L297-F327 HydrophobicContact CD1-CZ 3.95Å; F300-F327 HydrophobicContact CB-CE1 4.22Å; F300-F327 HydrophobicContact CB-CZ 3.83Å; V301-F327 HydrophobicContact CG2-CE1 4.13Å; V301-F327 HydrophobicContact CG2-CZ 4.27Å; V304-F327 HydrophobicContact CB-CD1 4.19Å; V304-F327 HydrophobicContact CB-CE1 4.37Å; V304-F327 HydrophobicContact CG1-CD1 4.13Å; V304-F327 HydrophobicContact CG2-CD1 3.91Å; V304-F327 HydrophobicContact CG2-CE1 4.07Å; N323-F327 PolarHBondContact O-N 3.29Å; A324-F327 WeakPolarHBondContact O-CB 3.41Å; A324-F327 PolarHBondContact O-N 2.73Å; F327-S329 VanDerWaalsContact C-N 3.29Å; F327-S329 PolarHBondContact O-N 2.89Å; F327-C330 VanDerWaalsContact O-CB 3.31Å; F327-C330 WeakPolarHBondContact O-CB 3.4Å; F327-C330 PolarHBondContact O-N 2.75Å; F327-C330 VanDerWaalsContact O-N 3.11Å; F327-V331 HydrophobicContact CD2-CG2 4.22Å; F327-V331 HydrophobicContact CE1-CG2 4.29Å; F327-V331 HydrophobicContact CE2-CG2 3.75Å; F327-V331 HydrophobicContact CZ-CG2 3.79Å; F327-V331 WeakPolarHBondContact O-CG2 3.49Å; F327-V331 PolarHBondContact O-N 3.2Å |
| 328 | L | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 178.2 | -65.3 | -177.3 | 0 | 0 | 0 | 112 | V301 V304 L308 A324 I325 V331 I332 F341 L350 | V301-L328 HydrophobicContact CG1-CD2 4.33Å; V304-L328 HydrophobicContact CG1-CD2 4.35Å; V304-L328 HydrophobicContact CG1-CG 4.3Å; L308-L328 HydrophobicContact CD1-CD1 3.63Å; A324-L328 PolarHBondContact O-N 3.46Å; A324-L328 VanDerWaalsContact O-N 3.08Å; I325-L328 PolarHBondContact O-N 2.92Å; L328-V331 PolarHBondContact O-N 2.76Å; L328-I332 WeakPolarHBondContact O-CD1 3.45Å; L328-I332 VanDerWaalsContact O-CG1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.24Å; L328-I332 PolarHBondContact O-N 2.69Å; L328-F341 HydrophobicContact CD2-CE1 4.18Å; L328-F341 HydrophobicContact CD2-CZ 4.1Å; L328-L350 HydrophobicContact CD1-CD1 4.35Å |
| 329 | S | 92.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | I325 G326 F327 V331 I332 S333 | I325-S329 WeakPolarHBondContact O-CB 3.43Å; I325-S329 PolarHBondContact O-N 2.98Å; I325-S329 PolarHBondContact O-OG 3.17Å; G326-S329 PolarHBondContact O-N 2.85Å; F327-S329 VanDerWaalsContact C-N 3.29Å; F327-S329 PolarHBondContact O-N 2.89Å; S329-V331 VanDerWaalsContact C-N 3.34Å; S329-V331 PolarHBondContact O-N 3.41Å; S329-I332 PolarHBondContact O-N 2.99Å; S329-S333 WeakPolarHBondContact O-CB 3.23Å; S329-S333 PolarHBondContact O-N 2.95Å |
| 330 | C | 92.7 | Very high | 92.1 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 17% | 0.169 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.3 | -47.3 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 111 | G326 F327 S333 | G326-C330 WeakPolarHBondContact O-CB 3.33Å; G326-C330 PolarHBondContact O-N 3.1Å; F327-C330 VanDerWaalsContact O-CB 3.31Å; F327-C330 WeakPolarHBondContact O-CB 3.4Å; F327-C330 PolarHBondContact O-N 2.75Å; F327-C330 VanDerWaalsContact O-N 3.11Å; C330-S333 PolarHBondContact O-OG 3.49Å |
| 331 | V | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.4 | -47.1 | 180 | -178 | 0 | 0 | 0 | 0 | 112.2 | A286 L297 V301 F327 L328 S329 S333 R334 H337 L340 F341 | A286-V331 HydrophobicContact CB-CG2 4.4Å; L297-V331 HydrophobicContact CD1-CG2 3.83Å; L297-V331 HydrophobicContact CD2-CG1 3.98Å; L297-V331 HydrophobicContact CG-CG1 4.46Å; V301-V331 HydrophobicContact CG2-CG1 4.3Å; V301-V331 HydrophobicContact CG2-CG2 4.44Å; F327-V331 HydrophobicContact CD2-CG2 4.22Å; F327-V331 HydrophobicContact CE1-CG2 4.29Å; F327-V331 HydrophobicContact CE2-CG2 3.75Å; F327-V331 HydrophobicContact CZ-CG2 3.79Å; F327-V331 WeakPolarHBondContact O-CG2 3.49Å; F327-V331 PolarHBondContact O-N 3.2Å; L328-V331 PolarHBondContact O-N 2.76Å; S329-V331 VanDerWaalsContact C-N 3.34Å; S329-V331 PolarHBondContact O-N 3.41Å; V331-S333 VanDerWaalsContact C-N 3.28Å; V331-S333 PolarHBondContact O-N 3.29Å; V331-R334 WeakPolarHBondContact O-CB 3.48Å; V331-R334 PolarHBondContact O-N 3.4Å; V331-R334 VanDerWaalsContact O-N 3.15Å; V331-H337 HydrophobicContact CG1-CB 3.68Å; V331-L340 HydrophobicContact CG1-CD1 4.43Å; V331-F341 HydrophobicContact CB-CE2 4.37Å; V331-F341 HydrophobicContact CG1-CE2 3.84Å; V331-F341 HydrophobicContact CG1-CZ 4.4Å |
| 332 | I | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.6 | -33.8 | -177.9 | -65.9 | 158.6 | 0 | 0 | 0 | 111.8 | L328 S329 R334 R338 F341 L350 L396 V399 L400 A403 F404 | L328-I332 WeakPolarHBondContact O-CD1 3.45Å; L328-I332 VanDerWaalsContact O-CG1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.24Å; L328-I332 PolarHBondContact O-N 2.69Å; S329-I332 PolarHBondContact O-N 2.99Å; I332-R334 PolarHBondContact O-N 3.39Å; I332-R334 VanDerWaalsContact O-N 3.13Å; I332-R338 PolarHBondContact O-NE 3.07Å; I332-F341 HydrophobicContact CD1-CD1 4.22Å; I332-F341 HydrophobicContact CD1-CD2 4.42Å; I332-F341 HydrophobicContact CD1-CE1 4.23Å; I332-F341 HydrophobicContact CD1-CE2 4.43Å; I332-F341 HydrophobicContact CD1-CG 4.31Å; I332-F341 HydrophobicContact CD1-CZ 4.33Å; I332-F341 HydrophobicContact CG1-CD1 4.24Å; I332-F341 HydrophobicContact CG1-CD2 3.56Å; I332-F341 HydrophobicContact CG1-CE1 4.26Å; I332-F341 HydrophobicContact CG1-CE2 3.6Å; I332-F341 HydrophobicContact CG1-CG 3.9Å; I332-F341 HydrophobicContact CG1-CZ 3.95Å; I332-L350 HydrophobicContact CD1-CD2 4.34Å; I332-L396 HydrophobicContact CD1-CD1 3.67Å; I332-V399 HydrophobicContact CB-CG1 3.82Å; I332-V399 HydrophobicContact CG2-CG1 3.65Å; I332-L400 HydrophobicContact CD1-CD2 3.76Å; I332-L400 HydrophobicContact CD1-CG 4.3Å; I332-L400 HydrophobicContact CG2-CD2 4.23Å; I332-A403 HydrophobicContact CG2-CB 3.65Å; I332-F404 HydrophobicContact CG2-CE2 3.98Å |
| 333 | S | 91.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 39% | 0.392 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.7 | -23.9 | 177.8 | 77.4 | 0 | 0 | 0 | 0 | 112.9 | S329 C330 V331 P335 | S329-S333 WeakPolarHBondContact O-CB 3.23Å; S329-S333 PolarHBondContact O-N 2.95Å; C330-S333 PolarHBondContact O-OG 3.49Å; V331-S333 VanDerWaalsContact C-N 3.28Å; V331-S333 PolarHBondContact O-N 3.29Å; S333-P335 WeakPolarHBondContact O-CD 3.44Å |
| 334 | R | 90.9 | Very high | 92.1 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 38% | 0.381 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -87.4 | 115.1 | 178.4 | -59.5 | -62.2 | -168.2 | -176.9 | 2.7 | 110.7 | S287 V331 I332 Q336 H337 | S287-R334 PolarHBondContact O-NH2 3.13Å; V331-R334 WeakPolarHBondContact O-CB 3.48Å; V331-R334 PolarHBondContact O-N 3.4Å; V331-R334 VanDerWaalsContact O-N 3.15Å; I332-R334 PolarHBondContact O-N 3.39Å; I332-R334 VanDerWaalsContact O-N 3.13Å; R334-Q336 VanDerWaalsContact C-N 3.26Å; R334-Q336 PolarHBondContact O-N 2.88Å; R334-Q336 VanDerWaalsContact O-N 3.12Å; R334-H337 PolarHBondContact O-N 3.38Å; R334-H337 VanDerWaalsContact O-N 3.14Å |
| 335 | P | 91.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -53.7 | -37.6 | -176 | -29 | 36.5 | 0 | 0 | 0 | 115 | S333 H337 R338 | S333-P335 WeakPolarHBondContact O-CD 3.44Å; P335-H337 VanDerWaalsContact C-N 3.27Å; P335-H337 PolarHBondContact O-N 3.35Å; P335-R338 WeakPolarHBondContact O-CB 3.08Å; P335-R338 PolarHBondContact O-N 3.18Å |
| 336 | Q | 91.1 | Very high | 91.7 | Very high | 103 Ų | 103 | 52.3 Ų | 52.3 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -69.5 | -14.8 | -177.1 | 67.6 | -143.4 | 36.3 | 0 | 0 | 115.6 | E290 R334 Y339 | E290-Q336 PolarHBondContact OE1-NE2 3.27Å; E290-Q336 PolarHBondContact OE2-NE2 3.05Å; R334-Q336 VanDerWaalsContact C-N 3.26Å; R334-Q336 PolarHBondContact O-N 2.88Å; R334-Q336 VanDerWaalsContact O-N 3.12Å; Q336-Y339 VanDerWaalsContact O-CD1 3.23Å; Q336-Y339 WeakPolarHBondContact O-CD1 3.48Å; Q336-Y339 WeakPolarHBondContact O-CE1 3.49Å |
| 337 | H | 92.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -106.6 | 0.1 | 178.7 | -58.4 | -46.4 | 0 | 0 | 0 | 113.3 | E290 L297 V331 R334 P335 Y339 L340 | E290-H337 WeakPolarHBondContact CG-NE2 3.14Å; E290-H337 IonicContact OE1-CE1 2.73Å; E290-H337 PolarHBondContact OE1-CE1 2.9Å; E290-H337 IonicContact OE1-NE2 3.88Å; E290-H337 PolarHBondContact OE1-NE2 3.45Å; L297-H337 HydrophobicContact CD2-CB 4.13Å; L297-H337 VanDerWaalsContact CD2-CD2 3.44Å; L297-H337 WeakPolarHBondContact CD2-CD2 3.37Å; L297-H337 VanDerWaalsContact CD2-CE1 3.48Å; L297-H337 WeakPolarHBondContact CD2-CE1 3.44Å; L297-H337 VanDerWaalsContact CD2-CG 3.43Å; L297-H337 WeakPolarHBondContact CD2-ND1 3.45Å; L297-H337 WeakPolarHBondContact CD2-NE2 3.24Å; V331-H337 HydrophobicContact CG1-CB 3.68Å; R334-H337 PolarHBondContact O-N 3.38Å; R334-H337 VanDerWaalsContact O-N 3.14Å; P335-H337 VanDerWaalsContact C-N 3.27Å; P335-H337 PolarHBondContact O-N 3.35Å; H337-Y339 PolarHBondContact O-N 3.1Å; H337-Y339 VanDerWaalsContact O-N 3.16Å; H337-L340 HydrophobicContact CB-CD1 4.34Å; H337-L340 WeakPolarHBondContact O-CB 3.44Å; H337-L340 WeakPolarHBondContact O-CG 3.38Å; H337-L340 PolarHBondContact O-N 2.89Å |
| 338 | R | 91.8 | Very high | 91.5 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -60.2 | -26.4 | -179.4 | -71.5 | -177.7 | -175.8 | 173.4 | 2.7 | 113 | I332 P335 L340 F341 E342 A403 F404 | I332-R338 PolarHBondContact O-NE 3.07Å; P335-R338 WeakPolarHBondContact O-CB 3.08Å; P335-R338 PolarHBondContact O-N 3.18Å; R338-L340 PolarHBondContact O-N 2.9Å; R338-L340 VanDerWaalsContact O-N 3.08Å; R338-F341 PolarHBondContact O-N 3.19Å; R338-E342 PolarHBondContact O-N 3.03Å; R338-E342 VanDerWaalsContact O-N 3.1Å; R338-A403 HydrophobicContact CG-CB 4.46Å; R338-F404 HydrophobicContact CB-CE1 3.91Å; R338-F404 HydrophobicContact CB-CZ 3.63Å; R338-F404 HydrophobicContact CG-CE1 4.45Å; R338-F404 HydrophobicContact CG-CZ 3.98Å; R338-F404 WeakPolarHBondContact O-CZ 3.19Å |
| 339 | Y | 92.6 | Very high | 91.3 | Very high | 122 Ų | 122 | 60.3 Ų | 60.3 | 48% | 0.478 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -57.7 | -23.4 | 175.5 | 77.1 | -90.6 | 0 | 0 | 0 | 113.3 | Q336 H337 F341 | Q336-Y339 VanDerWaalsContact O-CD1 3.23Å; Q336-Y339 WeakPolarHBondContact O-CD1 3.48Å; Q336-Y339 WeakPolarHBondContact O-CE1 3.49Å; H337-Y339 PolarHBondContact O-N 3.1Å; H337-Y339 VanDerWaalsContact O-N 3.16Å; Y339-F341 PolarHBondContact O-N 3.41Å |
| 340 | L | 92.3 | Very high | 91.1 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -68.8 | -19.5 | 175.9 | -63.1 | 174 | 0 | 0 | 0 | 112.8 | L297 P298 V301 V331 H337 R338 | L297-L340 HydrophobicContact CD2-CD1 4.34Å; L297-L340 HydrophobicContact CG-CD1 4.46Å; P298-L340 HydrophobicContact CB-CD2 3.97Å; P298-L340 HydrophobicContact CG-CD2 4.06Å; V301-L340 HydrophobicContact CG2-CD1 4.08Å; V331-L340 HydrophobicContact CG1-CD1 4.43Å; H337-L340 HydrophobicContact CB-CD1 4.34Å; H337-L340 WeakPolarHBondContact O-CB 3.44Å; H337-L340 WeakPolarHBondContact O-CG 3.38Å; H337-L340 PolarHBondContact O-N 2.89Å; R338-L340 PolarHBondContact O-N 2.9Å; R338-L340 VanDerWaalsContact O-N 3.08Å |
| 341 | F | 92.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 59 Ų | 59 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -6.6 | -174.5 | -55.6 | -86.1 | 0 | 0 | 0 | 113.4 | V301 L328 V331 I332 R338 Y339 N343 L347 F404 | V301-F341 HydrophobicContact CG1-CE1 3.87Å; V301-F341 HydrophobicContact CG1-CE2 4.43Å; V301-F341 HydrophobicContact CG1-CZ 3.58Å; V301-F341 HydrophobicContact CG2-CZ 4.22Å; L328-F341 HydrophobicContact CD2-CE1 4.18Å; L328-F341 HydrophobicContact CD2-CZ 4.1Å; V331-F341 HydrophobicContact CB-CE2 4.37Å; V331-F341 HydrophobicContact CG1-CE2 3.84Å; V331-F341 HydrophobicContact CG1-CZ 4.4Å; I332-F341 HydrophobicContact CD1-CD1 4.22Å; I332-F341 HydrophobicContact CD1-CD2 4.42Å; I332-F341 HydrophobicContact CD1-CE1 4.23Å; I332-F341 HydrophobicContact CD1-CE2 4.43Å; I332-F341 HydrophobicContact CD1-CG 4.31Å; I332-F341 HydrophobicContact CD1-CZ 4.33Å; I332-F341 HydrophobicContact CG1-CD1 4.24Å; I332-F341 HydrophobicContact CG1-CD2 3.56Å; I332-F341 HydrophobicContact CG1-CE1 4.26Å; I332-F341 HydrophobicContact CG1-CE2 3.6Å; I332-F341 HydrophobicContact CG1-CG 3.9Å; I332-F341 HydrophobicContact CG1-CZ 3.95Å; R338-F341 PolarHBondContact O-N 3.19Å; Y339-F341 PolarHBondContact O-N 3.41Å; F341-N343 PolarHBondContact O-N 3.19Å; F341-N343 VanDerWaalsContact O-N 3.14Å; F341-L347 HydrophobicContact CB-CD2 4.4Å; F341-L347 VanDerWaalsContact O-CD2 3.22Å; F341-L347 WeakPolarHBondContact O-CD2 3.47Å; F341-L347 WeakPolarHBondContact O-CG 3.49Å; F341-F404 HydrophobicContact CB-CE2 4.02Å; F341-F404 HydrophobicContact CB-CZ 4.04Å |
| 342 | E | 90.1 | Very high | 90.7 | Very high | 123 Ų | 123 | 62.4 Ų | 62.4 | 58% | 0.575 | 31% | 0.307 | S | S | * | . | trans | -66.3 | -17.8 | -170.9 | 72.6 | -172.7 | 179.8 | 0 | 0 | 114.6 | R338 P344 F404 | R338-E342 PolarHBondContact O-N 3.03Å; R338-E342 VanDerWaalsContact O-N 3.1Å; E342-P344 WeakPolarHBondContact O-CD 3.41Å; E342-F404 HydrophobicContact CB-CE1 4.14Å | ||
| 343 | N | 89.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 67.6 Ų | 67.6 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -61.8 | 123.4 | 177.4 | -177.5 | -47.8 | 0 | 0 | 0 | 110.1 | F341 E345 T346 L347 | F341-N343 PolarHBondContact O-N 3.19Å; F341-N343 VanDerWaalsContact O-N 3.14Å; N343-E345 VanDerWaalsContact C-N 3.28Å; N343-E345 PolarHBondContact O-N 3.17Å; N343-E345 WeakPolarHBondContact OD1-CB 3.41Å; N343-E345 PolarHBondContact OD1-N 3.42Å; N343-T346 WeakPolarHBondContact O-CA 3.28Å; N343-T346 WeakPolarHBondContact O-CB 3.31Å; N343-T346 PolarHBondContact O-N 3.15Å; N343-L347 PolarHBondContact O-N 3.12Å |
| 344 | P | 88.4 | Confident | 90.4 | Very high | 92 Ų | 92 | 65 Ų | 65 | 60% | 0.597 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -55.3 | -37.2 | -178.7 | -28.1 | 35.5 | 0 | 0 | 0 | 114.6 | E342 T346 L347 Q348 | E342-P344 WeakPolarHBondContact O-CD 3.41Å; P344-T346 VanDerWaalsContact C-N 3.34Å; P344-L347 PolarHBondContact O-N 3.18Å; P344-Q348 WeakPolarHBondContact O-CB 3.44Å; P344-Q348 PolarHBondContact O-N 3.45Å |
| 345 | E | 89.7 | Confident | 90.3 | Very high | 122 Ų | 122 | 60.2 Ų | 60.2 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -67.7 | -36 | 176.5 | -62.4 | -176.1 | -175.1 | 0 | 0 | 111.7 | N343 Q348 K349 | N343-E345 VanDerWaalsContact C-N 3.28Å; N343-E345 PolarHBondContact O-N 3.17Å; N343-E345 WeakPolarHBondContact OD1-CB 3.41Å; N343-E345 PolarHBondContact OD1-N 3.42Å; E345-Q348 PolarHBondContact O-N 2.68Å; E345-K349 WeakPolarHBondContact O-CB 3.24Å; E345-K349 VanDerWaalsContact O-CG 3.28Å; E345-K349 WeakPolarHBondContact O-CG 3.15Å; E345-K349 PolarHBondContact O-N 3.47Å |
| 346 | T | 88.5 | Confident | 90.2 | Very high | 44 Ų | 44 | 57 Ų | 57 | 27% | 0.27 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | N343 P344 Q348 K349 L350 | N343-T346 WeakPolarHBondContact O-CA 3.28Å; N343-T346 WeakPolarHBondContact O-CB 3.31Å; N343-T346 PolarHBondContact O-N 3.15Å; P344-T346 VanDerWaalsContact C-N 3.34Å; T346-Q348 VanDerWaalsContact C-N 3.34Å; T346-Q348 PolarHBondContact O-N 2.99Å; T346-K349 PolarHBondContact O-N 3.39Å; T346-L350 WeakPolarHBondContact O-CB 3.49Å; T346-L350 PolarHBondContact O-N 2.73Å |
| 347 | L | 90.3 | Very high | 90 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 175.2 | -66.9 | 176.6 | 0 | 0 | 0 | 111.4 | F341 N343 P344 L350 C351 L400 F404 A407 V408 | F341-L347 HydrophobicContact CB-CD2 4.4Å; F341-L347 VanDerWaalsContact O-CD2 3.22Å; F341-L347 WeakPolarHBondContact O-CD2 3.47Å; F341-L347 WeakPolarHBondContact O-CG 3.49Å; N343-L347 PolarHBondContact O-N 3.12Å; P344-L347 PolarHBondContact O-N 3.18Å; L347-L350 PolarHBondContact O-N 3.4Å; L347-C351 PolarHBondContact O-N 2.76Å; L347-C351 PolarHBondContact O-SG 2.69Å; L347-L400 HydrophobicContact CD2-CD2 4.04Å; L347-F404 HydrophobicContact CD1-CB 4.18Å; L347-F404 HydrophobicContact CD1-CG 4.22Å; L347-F404 HydrophobicContact CD2-CD2 3.79Å; L347-F404 HydrophobicContact CD2-CE2 4.07Å; L347-F404 HydrophobicContact CD2-CG 4.29Å; L347-A407 HydrophobicContact CD1-CB 4.16Å; L347-V408 HydrophobicContact CD1-CG2 4.34Å; L347-V408 HydrophobicContact CD2-CG2 4.29Å |
| 348 | Q | 90.7 | Very high | 89.9 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 42% | 0.416 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -47 | 177.3 | -173.9 | -176.6 | 1.2 | 0 | 0 | 111.7 | P344 E345 T346 L350 C351 E352 | P344-Q348 WeakPolarHBondContact O-CB 3.44Å; P344-Q348 PolarHBondContact O-N 3.45Å; E345-Q348 PolarHBondContact O-N 2.68Å; T346-Q348 VanDerWaalsContact C-N 3.34Å; T346-Q348 PolarHBondContact O-N 2.99Å; Q348-L350 VanDerWaalsContact C-N 3.32Å; Q348-L350 PolarHBondContact O-N 3.34Å; Q348-C351 WeakPolarHBondContact O-CB 3.21Å; Q348-C351 PolarHBondContact O-N 3.24Å; Q348-E352 WeakPolarHBondContact O-CB 3.46Å; Q348-E352 PolarHBondContact O-N 3.14Å |
| 349 | K | 90.1 | Very high | 89.7 | Confident | 106 Ų | 106 | 53.3 Ų | 53.3 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 177.2 | -73.9 | 172.6 | -175.4 | 167.7 | 0 | 112.1 | W305 E345 T346 E352 K353 | W305-K349 HydrophobicContact CH2-CB 3.95Å; W305-K349 HydrophobicContact CZ2-CB 3.88Å; E345-K349 WeakPolarHBondContact O-CB 3.24Å; E345-K349 VanDerWaalsContact O-CG 3.28Å; E345-K349 WeakPolarHBondContact O-CG 3.15Å; E345-K349 PolarHBondContact O-N 3.47Å; T346-K349 PolarHBondContact O-N 3.39Å; K349-E352 PolarHBondContact O-N 3.45Å; K349-K353 WeakPolarHBondContact O-CB 3.31Å; K349-K353 PolarHBondContact O-N 2.95Å |
| 350 | L | 89.4 | Confident | 89.4 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -64.4 | -43.8 | 177 | -176.7 | 67.6 | 0 | 0 | 0 | 110.6 | W305 L328 I332 T346 L347 Q348 V354 I355 L396 L400 | W305-L350 HydrophobicContact CE3-CD1 4.14Å; W305-L350 HydrophobicContact CH2-CB 4.14Å; W305-L350 HydrophobicContact CH2-CD1 4.4Å; W305-L350 HydrophobicContact CZ3-CB 4.01Å; W305-L350 HydrophobicContact CZ3-CD1 3.46Å; W305-L350 VanDerWaalsContact CZ3-CD1 3.46Å; W305-L350 HydrophobicContact CZ3-CG 4.33Å; L328-L350 HydrophobicContact CD1-CD1 4.35Å; I332-L350 HydrophobicContact CD1-CD2 4.34Å; T346-L350 WeakPolarHBondContact O-CB 3.49Å; T346-L350 PolarHBondContact O-N 2.73Å; L347-L350 PolarHBondContact O-N 3.4Å; Q348-L350 VanDerWaalsContact C-N 3.32Å; Q348-L350 PolarHBondContact O-N 3.34Å; L350-V354 HydrophobicContact CD1-CB 4.12Å; L350-V354 HydrophobicContact CD1-CG1 4.38Å; L350-V354 HydrophobicContact CD1-CG2 4.25Å; L350-V354 WeakPolarHBondContact O-CB 3.17Å; L350-V354 PolarHBondContact O-N 2.92Å; L350-I355 HydrophobicContact CG-CD1 4.47Å; L350-I355 PolarHBondContact O-N 3.2Å; L350-L396 HydrophobicContact CD1-CD2 4.09Å; L350-L396 HydrophobicContact CG-CD2 4.44Å; L350-L400 HydrophobicContact CD2-CD1 3.59Å; L350-L400 HydrophobicContact CD2-CD2 3.69Å; L350-L400 HydrophobicContact CD2-CG 4.19Å; L350-L400 HydrophobicContact CG-CD1 4.17Å |
| 351 | C | 89.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -58.1 | -53.8 | 170.8 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | L347 Q348 L356 F412 Y415 | L347-C351 PolarHBondContact O-N 2.76Å; L347-C351 PolarHBondContact O-SG 2.69Å; Q348-C351 WeakPolarHBondContact O-CB 3.21Å; Q348-C351 PolarHBondContact O-N 3.24Å; C351-L356 WeakPolarHBondContact O-CG 3.25Å; C351-L356 PolarHBondContact O-N 3.22Å; C351-F412 HydrophobicContact CB-CD1 4.42Å; C351-F412 HydrophobicContact CB-CE1 3.8Å; C351-F412 HydrophobicContact CB-CZ 4.31Å; C351-F412 VanDerWaalsContact SG-CE1 3.53Å; C351-F412 VanDerWaalsContact SG-CZ 3.5Å; C351-Y415 HydrophobicContact CB-CD2 4.48Å; C351-Y415 HydrophobicContact CB-CE2 3.94Å |
| 352 | E | 89.2 | Confident | 88.9 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 34% | 0.341 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -74.7 | -44 | -170.1 | -163.8 | -168.5 | 133.6 | 0 | 0 | 114.5 | Q348 K349 P357 Y415 | Q348-E352 WeakPolarHBondContact O-CB 3.46Å; Q348-E352 PolarHBondContact O-N 3.14Å; K349-E352 PolarHBondContact O-N 3.45Å; E352-P357 WeakPolarHBondContact O-CD 3.28Å; E352-Y415 HydrophobicContact CG-CE1 4.38Å |
| 353 | K | 88.8 | Confident | 88.8 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -99 | -20.7 | -169 | -59 | -54 | -169.1 | -157.1 | 0 | 114 | L309 K349 | L309-K353 HydrophobicContact CD2-CB 3.51Å; L309-K353 HydrophobicContact CD2-CG 4.08Å; K349-K353 WeakPolarHBondContact O-CB 3.31Å; K349-K353 PolarHBondContact O-N 2.95Å |
| 354 | V | 89.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -112 | -52.8 | -179.1 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | W305 L308 I325 L350 N358 L396 | W305-V354 HydrophobicContact CE3-CG2 4.14Å; W305-V354 HydrophobicContact CH2-CG2 4.06Å; W305-V354 HydrophobicContact CZ3-CB 4.5Å; W305-V354 HydrophobicContact CZ3-CG2 3.45Å; W305-V354 VanDerWaalsContact CZ3-CG2 3.45Å; L308-V354 HydrophobicContact CB-CG2 4.29Å; L308-V354 HydrophobicContact CD1-CG1 4.16Å; I325-V354 HydrophobicContact CD1-CG1 4.18Å; I325-V354 HydrophobicContact CG1-CG1 4.1Å; L350-V354 HydrophobicContact CD1-CB 4.12Å; L350-V354 HydrophobicContact CD1-CG1 4.38Å; L350-V354 HydrophobicContact CD1-CG2 4.25Å; L350-V354 WeakPolarHBondContact O-CB 3.17Å; L350-V354 PolarHBondContact O-N 2.92Å; V354-N358 WeakPolarHBondContact O-CB 3.48Å; V354-N358 PolarHBondContact O-ND2 2.86Å; V354-L396 HydrophobicContact CG1-CD2 4.44Å |
| 355 | I | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -72.9 | -57.6 | -172.8 | -67 | 172 | 0 | 0 | 0 | 110.9 | L350 N358 M359 L396 V397 L400 F412 | L350-I355 HydrophobicContact CG-CD1 4.47Å; L350-I355 PolarHBondContact O-N 3.2Å; I355-N358 PolarHBondContact O-N 2.85Å; I355-N358 VanDerWaalsContact O-N 3.1Å; I355-M359 HydrophobicContact CG2-CG 4.19Å; I355-M359 HydrophobicContact CG2-SD 3.46Å; I355-M359 WeakPolarHBondContact CG2-SD 3.39Å; I355-M359 WeakPolarHBondContact O-CG 3.47Å; I355-M359 PolarHBondContact O-N 3.05Å; I355-M359 VanDerWaalsContact O-N 3.15Å; I355-L396 HydrophobicContact CD1-CD2 3.94Å; I355-L396 HydrophobicContact CD1-CG 3.99Å; I355-L396 HydrophobicContact CG1-CD2 3.73Å; I355-L396 HydrophobicContact CG1-CG 4.24Å; I355-V397 HydrophobicContact CD1-CG2 4.16Å; I355-V397 HydrophobicContact CG2-CG2 3.53Å; I355-L400 HydrophobicContact CD1-CD1 3.44Å; I355-L400 VanDerWaalsContact CD1-CD1 3.44Å; I355-F412 HydrophobicContact CD1-CE1 4.42Å; I355-F412 HydrophobicContact CD1-CZ 3.76Å; I355-F412 HydrophobicContact CG2-CE1 4.12Å; I355-F412 HydrophobicContact CG2-CZ 4.22Å |
| 356 | L | 88.6 | Confident | 88.6 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.6 | -49.6 | -175.1 | -68.6 | 178.7 | 0 | 0 | 0 | 112.8 | C351 N358 M359 H360 Y415 L419 L441 | C351-L356 WeakPolarHBondContact O-CG 3.25Å; C351-L356 PolarHBondContact O-N 3.22Å; L356-N358 PolarHBondContact O-N 2.94Å; L356-N358 VanDerWaalsContact O-N 3.15Å; L356-M359 PolarHBondContact O-N 2.8Å; L356-H360 PolarHBondContact O-CE1 3.22Å; L356-H360 PolarHBondContact O-N 3.27Å; L356-H360 PolarHBondContact O-ND1 3.26Å; L356-Y415 HydrophobicContact CD1-CD1 3.75Å; L356-Y415 HydrophobicContact CD1-CD2 4.37Å; L356-Y415 HydrophobicContact CD1-CE1 4.1Å; L356-Y415 HydrophobicContact CD1-CG 3.91Å; L356-L419 HydrophobicContact CD2-CD1 4.48Å; L356-L441 HydrophobicContact CD2-CD2 4.14Å |
| 357 | P | 87.7 | Confident | 88.8 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.7 | -29.9 | -179.1 | -25.7 | 37.9 | 0 | 0 | 0 | 113.6 | E352 | E352-P357 WeakPolarHBondContact O-CD 3.28Å |
| 358 | N | 88.1 | Confident | 88.7 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.107 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -89.1 | -3.2 | -179.5 | -69.9 | -55.2 | 0 | 0 | 0 | 113.8 | I325 V354 I355 L356 R389 R390 A393 | I325-N358 HydrophobicContact CD1-CB 4.39Å; V354-N358 WeakPolarHBondContact O-CB 3.48Å; V354-N358 PolarHBondContact O-ND2 2.86Å; I355-N358 PolarHBondContact O-N 2.85Å; I355-N358 VanDerWaalsContact O-N 3.1Å; L356-N358 PolarHBondContact O-N 2.94Å; L356-N358 VanDerWaalsContact O-N 3.15Å; N358-R389 HydrophobicContact CB-CB 4.39Å; N358-R389 CarbonylContact O-C 3.58Å; N358-R389 WeakPolarHBondContact OD1-CD 3.42Å; N358-R390 WeakPolarHBondContact O-CA 3.23Å; N358-R390 WeakPolarHBondContact O-CG 3.4Å; N358-R390 PolarHBondContact O-N 3.4Å; N358-A393 HydrophobicContact CB-CB 4.04Å |
| 359 | M | 87.8 | Confident | 88.8 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -98.7 | -19 | 173.9 | -69.9 | -174.5 | 73.5 | 0 | 0 | 113.8 | I355 L356 R390 A393 V397 L440 L441 | I355-M359 HydrophobicContact CG2-CG 4.19Å; I355-M359 HydrophobicContact CG2-SD 3.46Å; I355-M359 WeakPolarHBondContact CG2-SD 3.39Å; I355-M359 WeakPolarHBondContact O-CG 3.47Å; I355-M359 PolarHBondContact O-N 3.05Å; I355-M359 VanDerWaalsContact O-N 3.15Å; L356-M359 PolarHBondContact O-N 2.8Å; M359-R390 PolarHBondContact O-NE 2.95Å; M359-R390 PolarHBondContact O-NH2 2.92Å; M359-A393 HydrophobicContact CG-CB 3.71Å; M359-V397 HydrophobicContact SD-CG2 4.21Å; M359-L440 HydrophobicContact CB-CD2 4.36Å; M359-L440 HydrophobicContact CE-CB 4.04Å; M359-L440 HydrophobicContact CE-CD2 3.73Å; M359-L440 HydrophobicContact CE-CG 3.52Å; M359-L441 HydrophobicContact CE-CB 4.02Å; M359-L441 HydrophobicContact CE-CD1 4.07Å; M359-L441 HydrophobicContact SD-CD1 3.91Å |
| 360 | H | 86.3 | Confident | 88.9 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 31% | 0.306 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -61.4 | 151.4 | -178.5 | -75.7 | 84.2 | 0 | 0 | 0 | 112.8 | L356 R362 R390 | L356-H360 PolarHBondContact O-CE1 3.22Å; L356-H360 PolarHBondContact O-N 3.27Å; L356-H360 PolarHBondContact O-ND1 3.26Å; H360-R362 PolarHBondContact O-N 3.02Å; H360-R390 PolarHBondContact O-NE 3.28Å; H360-R390 PolarHBondContact O-NH2 3.38Å |
| 361 | F | 87.6 | Confident | 89 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -76 | 119.5 | 176.5 | -153.5 | -82.9 | 0 | 0 | 0 | 109 | D365 E366 Y376 R390 W432 T433 D436 V487 | F361-D365 HydrophobicContact CD1-CB 3.85Å; F361-D365 HydrophobicContact CD2-CB 4.43Å; F361-D365 VanDerWaalsContact CE1-C 3.44Å; F361-D365 HydrophobicContact CE1-CB 3.59Å; F361-D365 HydrophobicContact CE2-CB 4.13Å; F361-D365 HydrophobicContact CG-CB 4.28Å; F361-D365 HydrophobicContact CZ-CB 3.7Å; F361-E366 HydrophobicContact CD1-CB 4.41Å; F361-E366 HydrophobicContact CE1-CB 3.83Å; F361-Y376 HydrophobicContact CE2-CE2 4.24Å; F361-Y376 HydrophobicContact CZ-CE2 4.09Å; F361-R390 VanDerWaalsContact CB-NH2 3.35Å; F361-W432 HydrophobicContact CB-CH2 4.22Å; F361-W432 HydrophobicContact CB-CZ3 4.12Å; F361-W432 AromaticContact CD1-CH2 3.61Å; F361-W432 HydrophobicContact CD1-CH2 3.61Å; F361-W432 HydrophobicContact CD1-CZ3 4.07Å; F361-W432 HydrophobicContact CD2-CZ3 4.34Å; F361-W432 HydrophobicContact CE1-CH2 4.07Å; F361-W432 AromaticContact CG-CH2 3.95Å; F361-W432 HydrophobicContact CG-CH2 3.95Å; F361-W432 AromaticContact CG-CZ3 3.94Å; F361-W432 HydrophobicContact CG-CZ3 3.94Å; F361-T433 HydrophobicContact CB-CG2 4.37Å; F361-D436 WeakPolarHBondContact CB-OD2 3.49Å; F361-V487 HydrophobicContact CD2-CG1 3.92Å; F361-V487 HydrophobicContact CE2-CG1 3.51Å; F361-V487 HydrophobicContact CZ-CG1 3.84Å; F361-V487 HydrophobicContact CZ-CG2 4.24Å |
| 362 | R | 87 | Confident | 89 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 19% | 0.185 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -96 | 161.8 | -176.6 | -57.7 | -174.9 | -63.7 | 171.7 | -1.1 | 110.6 | D318 H360 L364 D365 E366 | D318-R362 VanDerWaalsContact CG-NH1 3.35Å; D318-R362 IonicContact OD1-CZ 2.81Å; D318-R362 IonicContact OD1-NH1 2.73Å; D318-R362 PolarHBondContact OD1-NH1 3.03Å; D318-R362 IonicContact OD1-NH2 3.15Å; D318-R362 IonicContact OD2-CZ 3.56Å; D318-R362 IonicContact OD2-NH1 3.66Å; D318-R362 PolarHBondContact OD2-NH1 2.93Å; D318-R362 VanDerWaalsContact OD2-NH1 3.08Å; D318-R362 IonicContact OD2-NH2 3.42Å; D318-R362 PolarHBondContact OD2-NH2 3.05Å; H360-R362 PolarHBondContact O-N 3.02Å; R362-L364 PolarHBondContact O-N 3.18Å; R362-D365 WeakPolarHBondContact CB-OD2 3.43Å; R362-D365 PolarHBondContact N-OD2 2.84Å; R362-D365 IonicContact NE-OD2 3.08Å; R362-D365 WeakPolarHBondContact O-CA 3.25Å; R362-D365 WeakPolarHBondContact O-CB 3.29Å; R362-D365 PolarHBondContact O-N 3.38Å; R362-E366 PolarHBondContact O-N 3.2Å; R362-E366 VanDerWaalsContact O-N 3.11Å |
| 363 | A | 87.6 | Confident | 89.1 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 65% | 0.653 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -55.5 | -33.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | E366 E367 | A363-E366 WeakPolarHBondContact O-CB 3.15Å; A363-E366 PolarHBondContact O-N 2.92Å; A363-E367 PolarHBondContact O-N 3Å |
| 364 | L | 85.6 | Confident | 89 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | 174.7 | -175.4 | 71.3 | 0 | 0 | 0 | 112.4 | T315 R362 E366 E367 L368 | T315-L364 HydrophobicContact CG2-CD2 4.01Å; R362-L364 PolarHBondContact O-N 3.18Å; L364-E366 VanDerWaalsContact C-N 3.26Å; L364-E366 PolarHBondContact O-N 2.86Å; L364-E367 PolarHBondContact O-N 3.12Å; L364-L368 WeakPolarHBondContact O-CG 3.22Å; L364-L368 PolarHBondContact O-N 3.09Å |
| 365 | D | 88.3 | Confident | 88.7 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 176.5 | -55.3 | -52.2 | 0 | 0 | 0 | 110 | F361 R362 F369 R390 | F361-D365 HydrophobicContact CD1-CB 3.85Å; F361-D365 HydrophobicContact CD2-CB 4.43Å; F361-D365 VanDerWaalsContact CE1-C 3.44Å; F361-D365 HydrophobicContact CE1-CB 3.59Å; F361-D365 HydrophobicContact CE2-CB 4.13Å; F361-D365 HydrophobicContact CG-CB 4.28Å; F361-D365 HydrophobicContact CZ-CB 3.7Å; R362-D365 WeakPolarHBondContact CB-OD2 3.43Å; R362-D365 PolarHBondContact N-OD2 2.84Å; R362-D365 IonicContact NE-OD2 3.08Å; R362-D365 WeakPolarHBondContact O-CA 3.25Å; R362-D365 WeakPolarHBondContact O-CB 3.29Å; R362-D365 PolarHBondContact O-N 3.38Å; D365-F369 WeakPolarHBondContact O-CB 3.37Å; D365-F369 PolarHBondContact O-N 3.26Å; D365-R390 IonicContact OD2-NE 3.76Å |
| 366 | E | 91 | Very high | 88.7 | Confident | 97 Ų | 97 | 54.5 Ų | 54.5 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69 | -45 | 175.3 | -165.8 | 173.2 | 177.6 | 0 | 0 | 111.5 | F361 R362 A363 L364 L368 F369 T370 | F361-E366 HydrophobicContact CD1-CB 4.41Å; F361-E366 HydrophobicContact CE1-CB 3.83Å; R362-E366 PolarHBondContact O-N 3.2Å; R362-E366 VanDerWaalsContact O-N 3.11Å; A363-E366 WeakPolarHBondContact O-CB 3.15Å; A363-E366 PolarHBondContact O-N 2.92Å; L364-E366 VanDerWaalsContact C-N 3.26Å; L364-E366 PolarHBondContact O-N 2.86Å; E366-L368 PolarHBondContact O-N 3.36Å; E366-F369 WeakPolarHBondContact O-CB 3.06Å; E366-F369 PolarHBondContact O-N 2.75Å; E366-F369 VanDerWaalsContact O-N 3.15Å; E366-T370 WeakPolarHBondContact O-CG2 3.48Å; E366-T370 PolarHBondContact O-N 3.22Å; E366-T370 PolarHBondContact O-OG1 3.24Å |
| 367 | E | 91.5 | Very high | 88.7 | Confident | 115 Ų | 115 | 53.7 Ų | 53.7 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 173.8 | -174 | -179.3 | 176.1 | 0 | 0 | 111.6 | A363 L364 T370 E371 | A363-E367 PolarHBondContact O-N 3Å; L364-E367 PolarHBondContact O-N 3.12Å; E367-T370 PolarHBondContact O-N 3.41Å; E367-T370 PolarHBondContact O-OG1 3.32Å; E367-E371 HydrophobicContact CG-CG 4.12Å; E367-E371 WeakPolarHBondContact O-CA 3.26Å; E367-E371 VanDerWaalsContact O-CB 3.27Å; E367-E371 WeakPolarHBondContact O-CB 3.36Å; E367-E371 PolarHBondContact O-N 3.09Å |
| 368 | L | 89.3 | Confident | 88.4 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 173.9 | -73.8 | 173 | 0 | 0 | 0 | 111.6 | L364 E366 T370 N372 E375 Y376 L379 | L364-L368 WeakPolarHBondContact O-CG 3.22Å; L364-L368 PolarHBondContact O-N 3.09Å; E366-L368 PolarHBondContact O-N 3.36Å; L368-T370 VanDerWaalsContact C-N 3.33Å; L368-T370 PolarHBondContact O-N 3.18Å; L368-N372 HydrophobicContact CD2-CB 4.3Å; L368-N372 CarbonylContact O-C 3.21Å; L368-N372 WeakPolarHBondContact O-CA 3.25Å; L368-N372 PolarHBondContact O-N 3.11Å; L368-N372 VanDerWaalsContact O-N 3.17Å; L368-E375 HydrophobicContact CD2-CG 4.23Å; L368-Y376 HydrophobicContact CB-CD2 4.22Å; L368-L379 HydrophobicContact CD1-CD1 4.37Å |
| 369 | F | 92.1 | Very high | 88 | Confident | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 178.6 | -173.8 | -80.9 | 0 | 0 | 0 | 112.4 | D365 E366 Y376 P486 V487 A490 A523 V525 V526 | D365-F369 WeakPolarHBondContact O-CB 3.37Å; D365-F369 PolarHBondContact O-N 3.26Å; E366-F369 WeakPolarHBondContact O-CB 3.06Å; E366-F369 PolarHBondContact O-N 2.75Å; E366-F369 VanDerWaalsContact O-N 3.15Å; F369-Y376 HydrophobicContact CB-CD2 4Å; F369-Y376 HydrophobicContact CB-CE2 4.21Å; F369-Y376 HydrophobicContact CB-CG 4.39Å; F369-Y376 HydrophobicContact CD2-CD1 4.07Å; F369-Y376 HydrophobicContact CD2-CD2 4.36Å; F369-Y376 AromaticContact CD2-CE1 3.81Å; F369-Y376 HydrophobicContact CD2-CE1 3.81Å; F369-Y376 HydrophobicContact CD2-CE2 4.09Å; F369-Y376 HydrophobicContact CD2-CG 4.36Å; F369-Y376 AromaticContact CD2-CZ 3.83Å; F369-Y376 HydrophobicContact CE2-CE1 4.35Å; F369-P486 HydrophobicContact CE1-CB 4.07Å; F369-P486 HydrophobicContact CE1-CG 4.24Å; F369-P486 HydrophobicContact CZ-CB 4.1Å; F369-V487 HydrophobicContact CD1-CG2 4.16Å; F369-V487 HydrophobicContact CD2-CG2 4.17Å; F369-V487 HydrophobicContact CE1-CG2 4.11Å; F369-V487 HydrophobicContact CE2-CG2 4.09Å; F369-V487 HydrophobicContact CG-CG2 4.21Å; F369-V487 HydrophobicContact CZ-CG2 4.08Å; F369-A490 HydrophobicContact CE2-CB 3.97Å; F369-A490 HydrophobicContact CZ-CB 4.43Å; F369-A523 HydrophobicContact CE1-CB 4.31Å; F369-V525 HydrophobicContact CD1-CG2 4.41Å; F369-V525 HydrophobicContact CD2-CB 4.05Å; F369-V525 HydrophobicContact CD2-CG1 3.87Å; F369-V525 HydrophobicContact CD2-CG2 3.91Å; F369-V525 HydrophobicContact CE1-CB 4.38Å; F369-V525 HydrophobicContact CE1-CG2 4.44Å; F369-V525 HydrophobicContact CE2-CB 3.59Å; F369-V525 HydrophobicContact CE2-CG1 3.41Å; F369-V525 VanDerWaalsContact CE2-CG1 3.41Å; F369-V525 HydrophobicContact CE2-CG2 3.96Å; F369-V525 HydrophobicContact CG-CG2 4.14Å; F369-V525 HydrophobicContact CZ-CB 3.76Å; F369-V525 HydrophobicContact CZ-CG1 4.07Å; F369-V525 HydrophobicContact CZ-CG2 4.22Å; F369-V526 HydrophobicContact CZ-CG2 4.44Å |
| 370 | T | 92 | Very high | 87.7 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -91.4 | -46.1 | -176.4 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | E366 E367 L368 | E366-T370 WeakPolarHBondContact O-CG2 3.48Å; E366-T370 PolarHBondContact O-N 3.22Å; E366-T370 PolarHBondContact O-OG1 3.24Å; E367-T370 PolarHBondContact O-N 3.41Å; E367-T370 PolarHBondContact O-OG1 3.32Å; L368-T370 VanDerWaalsContact C-N 3.33Å; L368-T370 PolarHBondContact O-N 3.18Å |
| 371 | E | 91.4 | Very high | 87.3 | Confident | 150 Ų | 150 | 57.3 Ų | 57.3 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -95.2 | -28.3 | -170.9 | -55 | -56.9 | 133.2 | 0 | 0 | 113.2 | E367 | E367-E371 HydrophobicContact CG-CG 4.12Å; E367-E371 WeakPolarHBondContact O-CA 3.26Å; E367-E371 VanDerWaalsContact O-CB 3.27Å; E367-E371 WeakPolarHBondContact O-CB 3.36Å; E367-E371 PolarHBondContact O-N 3.09Å |
| 372 | N | 90 | Very high | 86.4 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | trans | -135.7 | 62.7 | 179.7 | -165 | -6.2 | 0 | 0 | 0 | 112.5 | L368 D374 E375 Y376 | L368-N372 HydrophobicContact CD2-CB 4.3Å; L368-N372 CarbonylContact O-C 3.21Å; L368-N372 WeakPolarHBondContact O-CA 3.25Å; L368-N372 PolarHBondContact O-N 3.11Å; L368-N372 VanDerWaalsContact O-N 3.17Å; N372-D374 PolarHBondContact O-N 2.87Å; N372-E375 HydrophobicContact CB-CB 4.35Å; N372-E375 WeakPolarHBondContact ND2-CB 3.48Å; N372-E375 PolarHBondContact O-N 3.42Å; N372-E375 VanDerWaalsContact O-N 3.09Å; N372-E375 PolarHBondContact OD1-N 2.91Å; N372-Y376 PolarHBondContact O-N 3.36Å; N372-Y376 VanDerWaalsContact O-N 3.11Å | ||
| 373 | P | 90.6 | Very high | 85.4 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -32.7 | -173.1 | 24.8 | -35.7 | 0 | 0 | 0 | 112.9 | Y376 I377 P524 V525 | P373-Y376 PolarHBondContact O-N 3.5Å; P373-I377 WeakPolarHBondContact O-CB 3.19Å; P373-I377 VanDerWaalsContact O-CD1 3.25Å; P373-I377 WeakPolarHBondContact O-CD1 3.36Å; P373-I377 WeakPolarHBondContact O-CG1 3.47Å; P373-I377 PolarHBondContact O-N 3.48Å; P373-P524 HydrophobicContact CB-CB 4.09Å; P373-P524 HydrophobicContact CB-CG 4.46Å; P373-P524 HydrophobicContact CG-CB 4.12Å; P373-P524 HydrophobicContact CG-CG 4.15Å; P373-V525 HydrophobicContact CB-CG2 3.55Å |
| 374 | D | 85.8 | Confident | 83.8 | Confident | 84 Ų | 84 | 60 Ų | 60 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 176.1 | -85.5 | -2.6 | 0 | 0 | 0 | 111 | N372 I377 R378 K620 | N372-D374 PolarHBondContact O-N 2.87Å; D374-I377 PolarHBondContact O-N 3.1Å; D374-R378 WeakPolarHBondContact O-CB 3.24Å; D374-R378 PolarHBondContact O-N 2.77Å; D374-K620 IonicContact OD2-NZ 2.6Å; D374-K620 PolarHBondContact OD2-NZ 2.95Å |
| 375 | E | 84.3 | Confident | 82.4 | Confident | 48 Ų | 48 | 60 Ų | 60 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 176.6 | -177.2 | 63.9 | -176 | 0 | 0 | 111 | L368 N372 I377 R378 L379 | L368-E375 HydrophobicContact CD2-CG 4.23Å; N372-E375 HydrophobicContact CB-CB 4.35Å; N372-E375 WeakPolarHBondContact ND2-CB 3.48Å; N372-E375 PolarHBondContact O-N 3.42Å; N372-E375 VanDerWaalsContact O-N 3.09Å; N372-E375 PolarHBondContact OD1-N 2.91Å; E375-I377 VanDerWaalsContact C-N 3.31Å; E375-I377 PolarHBondContact O-N 2.58Å; E375-R378 WeakPolarHBondContact O-CB 3.29Å; E375-R378 PolarHBondContact O-N 2.73Å; E375-R378 IonicContact OE1-CZ 3.66Å; E375-R378 IonicContact OE1-NE 3.6Å; E375-R378 IonicContact OE1-NH2 2.85Å; E375-R378 PolarHBondContact OE1-NH2 2.75Å; E375-R378 IonicContact OE2-CZ 3.89Å; E375-R378 VanDerWaalsContact OE2-CZ 3.25Å; E375-R378 IonicContact OE2-NE 3.41Å; E375-R378 PolarHBondContact OE2-NE 3.14Å; E375-R378 IonicContact OE2-NH2 3.61Å; E375-R378 PolarHBondContact OE2-NH2 3.44Å; E375-L379 HydrophobicContact CG-CD1 4.16Å; E375-L379 HydrophobicContact CG-CG 4.25Å; E375-L379 VanDerWaalsContact O-CG 3.25Å; E375-L379 WeakPolarHBondContact O-CG 3.42Å; E375-L379 PolarHBondContact O-N 2.73Å |
| 376 | Y | 89.2 | Confident | 80.6 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.3 | -48.1 | 176.7 | -177.6 | -84.2 | 0 | 0 | 0 | 111.8 | F361 L368 F369 N372 P373 L379 D380 V525 | F361-Y376 HydrophobicContact CE2-CE2 4.24Å; F361-Y376 HydrophobicContact CZ-CE2 4.09Å; L368-Y376 HydrophobicContact CB-CD2 4.22Å; F369-Y376 HydrophobicContact CB-CD2 4Å; F369-Y376 HydrophobicContact CB-CE2 4.21Å; F369-Y376 HydrophobicContact CB-CG 4.39Å; F369-Y376 HydrophobicContact CD2-CD1 4.07Å; F369-Y376 HydrophobicContact CD2-CD2 4.36Å; F369-Y376 AromaticContact CD2-CE1 3.81Å; F369-Y376 HydrophobicContact CD2-CE1 3.81Å; F369-Y376 HydrophobicContact CD2-CE2 4.09Å; F369-Y376 HydrophobicContact CD2-CG 4.36Å; F369-Y376 AromaticContact CD2-CZ 3.83Å; F369-Y376 HydrophobicContact CE2-CE1 4.35Å; N372-Y376 PolarHBondContact O-N 3.36Å; N372-Y376 VanDerWaalsContact O-N 3.11Å; P373-Y376 PolarHBondContact O-N 3.5Å; Y376-L379 PolarHBondContact O-N 3.16Å; Y376-D380 HydrophobicContact CE1-CB 4.49Å; Y376-D380 PolarHBondContact O-N 2.98Å; Y376-D380 VanDerWaalsContact O-N 3.12Å; Y376-V525 HydrophobicContact CD1-CG1 3.75Å; Y376-V525 HydrophobicContact CD1-CG2 4.24Å; Y376-V525 HydrophobicContact CE1-CG1 3.87Å |
| 377 | I | 88.5 | Confident | 79 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 179.9 | -63.2 | 157.2 | 0 | 0 | 0 | 110.7 | P373 D374 E375 L379 D380 L381 V525 S528 Y580 | P373-I377 WeakPolarHBondContact O-CB 3.19Å; P373-I377 VanDerWaalsContact O-CD1 3.25Å; P373-I377 WeakPolarHBondContact O-CD1 3.36Å; P373-I377 WeakPolarHBondContact O-CG1 3.47Å; P373-I377 PolarHBondContact O-N 3.48Å; D374-I377 PolarHBondContact O-N 3.1Å; E375-I377 VanDerWaalsContact C-N 3.31Å; E375-I377 PolarHBondContact O-N 2.58Å; I377-L379 VanDerWaalsContact C-N 3.3Å; I377-L379 PolarHBondContact O-N 3.26Å; I377-D380 PolarHBondContact O-N 2.95Å; I377-L381 HydrophobicContact CG2-CB 4.32Å; I377-L381 HydrophobicContact CG2-CD1 3.66Å; I377-L381 HydrophobicContact CG2-CG 4.1Å; I377-L381 WeakPolarHBondContact O-CB 3.38Å; I377-L381 PolarHBondContact O-N 2.91Å; I377-V525 HydrophobicContact CG1-CG1 4.17Å; I377-V525 HydrophobicContact CG1-CG2 4.38Å; I377-S528 WeakPolarHBondContact CD1-OG 3.22Å; I377-Y580 HydrophobicContact CG2-CD2 4.17Å; I377-Y580 HydrophobicContact CG2-CE1 4.28Å; I377-Y580 HydrophobicContact CG2-CE2 3.43Å; I377-Y580 VanDerWaalsContact CG2-CE2 3.43Å; I377-Y580 VanDerWaalsContact CG2-CZ 3.49Å |
| 378 | R | 82.9 | Confident | 78.2 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 177.6 | -165.5 | -176.8 | 70.2 | 101.2 | 1.1 | 112.4 | D374 E375 E382 S384 | D374-R378 WeakPolarHBondContact O-CB 3.24Å; D374-R378 PolarHBondContact O-N 2.77Å; E375-R378 WeakPolarHBondContact O-CB 3.29Å; E375-R378 PolarHBondContact O-N 2.73Å; E375-R378 IonicContact OE1-CZ 3.66Å; E375-R378 IonicContact OE1-NE 3.6Å; E375-R378 IonicContact OE1-NH2 2.85Å; E375-R378 PolarHBondContact OE1-NH2 2.75Å; E375-R378 IonicContact OE2-CZ 3.89Å; E375-R378 VanDerWaalsContact OE2-CZ 3.25Å; E375-R378 IonicContact OE2-NE 3.41Å; E375-R378 PolarHBondContact OE2-NE 3.14Å; E375-R378 IonicContact OE2-NH2 3.61Å; E375-R378 PolarHBondContact OE2-NH2 3.44Å; R378-E382 VanDerWaalsContact CG-OE2 3.27Å; R378-E382 WeakPolarHBondContact CG-OE2 3.45Å; R378-E382 WeakPolarHBondContact O-CB 3.33Å; R378-S384 PolarHBondContact O-OG 3.25Å |
| 379 | L | 78.9 | Confident | 77.9 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.2 | -37.3 | 179.2 | -66.1 | -171.8 | 0 | 0 | 0 | 112.7 | L368 E375 Y376 I377 N385 | L368-L379 HydrophobicContact CD1-CD1 4.37Å; E375-L379 HydrophobicContact CG-CD1 4.16Å; E375-L379 HydrophobicContact CG-CG 4.25Å; E375-L379 VanDerWaalsContact O-CG 3.25Å; E375-L379 WeakPolarHBondContact O-CG 3.42Å; E375-L379 PolarHBondContact O-N 2.73Å; Y376-L379 PolarHBondContact O-N 3.16Å; I377-L379 VanDerWaalsContact C-N 3.3Å; I377-L379 PolarHBondContact O-N 3.26Å; L379-N385 HydrophobicContact CD2-CB 3.92Å; L379-N385 WeakPolarHBondContact CD2-ND2 3.45Å |
| 380 | D | 82.2 | Confident | 77.5 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -93.3 | -47.1 | -172.4 | -162.6 | 30.8 | 0 | 0 | 0 | 113.2 | Y376 I377 R494 Y529 | Y376-D380 HydrophobicContact CE1-CB 4.49Å; Y376-D380 PolarHBondContact O-N 2.98Å; Y376-D380 VanDerWaalsContact O-N 3.12Å; I377-D380 PolarHBondContact O-N 2.95Å; D380-R494 IonicContact OD1-CZ 2.99Å; D380-R494 IonicContact OD1-NH1 3.94Å; D380-R494 PolarHBondContact OD1-NH1 3.38Å; D380-R494 VanDerWaalsContact OD2-CD 3.3Å; D380-R494 WeakPolarHBondContact OD2-CD 3.48Å; D380-R494 IonicContact OD2-CZ 3.64Å; D380-R494 IonicContact OD2-NE 3.56Å; D380-R494 IonicContact OD2-NH1 3.05Å; D380-Y529 PolarHBondContact OD2-OH 3.13Å |
| 381 | L | 77.3 | Confident | 77.1 | Confident | 48 Ų | 48 | 61 Ų | 61 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -41.9 | -179.3 | -73 | -173.6 | 0 | 0 | 0 | 113.5 | I377 Y529 Y580 | I377-L381 HydrophobicContact CG2-CB 4.32Å; I377-L381 HydrophobicContact CG2-CD1 3.66Å; I377-L381 HydrophobicContact CG2-CG 4.1Å; I377-L381 WeakPolarHBondContact O-CB 3.38Å; I377-L381 PolarHBondContact O-N 2.91Å; L381-Y529 HydrophobicContact CD1-CE2 4.35Å; L381-Y529 HydrophobicContact CD2-CD1 4.2Å; L381-Y529 HydrophobicContact CD2-CE1 3.46Å; L381-Y529 VanDerWaalsContact CD2-CE1 3.46Å; L381-Y529 HydrophobicContact CD2-CE2 4.37Å; L381-Y529 WeakPolarHBondContact CD2-OH 3.36Å; L381-Y529 HydrophobicContact CG-CE1 4.1Å; L381-Y529 HydrophobicContact CG-CE2 4.1Å; L381-Y580 HydrophobicContact CD1-CD1 4.14Å; L381-Y580 HydrophobicContact CD1-CE1 3.63Å |
| 382 | E | 68.9 | Low | 76.9 | Confident | 120 Ų | 120 | 54.3 Ų | 54.3 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -87.2 | -16.4 | -177.4 | -54.3 | 171.7 | -162.8 | 0 | 0 | 112.1 | R378 S384 Y580 | R378-E382 VanDerWaalsContact CG-OE2 3.27Å; R378-E382 WeakPolarHBondContact CG-OE2 3.45Å; R378-E382 WeakPolarHBondContact O-CB 3.33Å; E382-S384 VanDerWaalsContact C-N 3.27Å; E382-S384 PolarHBondContact O-N 2.87Å; E382-Y580 PolarHBondContact OE1-OH 3.44Å |
| 383 | G | 65.7 | Low | 76.9 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | trans | 70 | 21.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N385 | G383-N385 PolarHBondContact O-N 3.1Å; G383-N385 VanDerWaalsContact O-N 3.1Å | ||
| 384 | S | 54.7 | Low | 76.8 | Confident | 50 Ų | 50 | 50 Ų | 50 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | trans | -63.1 | -15.4 | -170.1 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | R378 E382 | R378-S384 PolarHBondContact O-OG 3.25Å; E382-S384 VanDerWaalsContact C-N 3.27Å; E382-S384 PolarHBondContact O-N 2.87Å | ||
| 385 | N | 55.1 | Low | 76.9 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | trans | -113.8 | 97.7 | 175.5 | -76.3 | -2.1 | 0 | 0 | 0 | 112.5 | L379 G383 Q387 T388 | L379-N385 HydrophobicContact CD2-CB 3.92Å; L379-N385 WeakPolarHBondContact CD2-ND2 3.45Å; G383-N385 PolarHBondContact O-N 3.1Å; G383-N385 VanDerWaalsContact O-N 3.1Å; N385-Q387 PolarHBondContact O-N 3.1Å; N385-Q387 VanDerWaalsContact O-N 3.11Å; N385-T388 HydrophobicContact CB-CG2 3.83Å | ||
| 386 | A | 51.7 | Low | 77.3 | Confident | 81 Ų | 81 | 47.5 Ų | 47.5 | 67% | 0.669 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -10.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 387 | Q | 57.4 | Low | 77.4 | Confident | 107 Ų | 107 | 46.8 Ų | 46.8 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 7.1 | -164.5 | -65.3 | -70.6 | -5.3 | 0 | 0 | 114.8 | N323 N385 | N323-Q387 PolarHBondContact OD1-OE1 3.24Å; N385-Q387 PolarHBondContact O-N 3.1Å; N385-Q387 VanDerWaalsContact O-N 3.11Å |
| 388 | T | 75.1 | Confident | 77.3 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | trans | -75.1 | 147.5 | 174.1 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | N385 R390 R391 A392 | N385-T388 HydrophobicContact CB-CG2 3.83Å; T388-R390 VanDerWaalsContact C-N 3.28Å; T388-R390 PolarHBondContact O-N 3.3Å; T388-R391 PolarHBondContact O-N 3.35Å; T388-R391 VanDerWaalsContact O-N 3.1Å; T388-R391 VanDerWaalsContact OG1-CB 3.27Å; T388-R391 WeakPolarHBondContact OG1-CB 3.39Å; T388-R391 PolarHBondContact OG1-N 2.79Å; T388-A392 PolarHBondContact O-N 3.15Å | ||
| 389 | R | 81.3 | Confident | 77.7 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.1 | -44.7 | 175.4 | -70.9 | -172.1 | 177.6 | 167 | 20.8 | 112.7 | A313 Q314 D318 I321 N358 R391 A392 A393 | A313-R389 VanDerWaalsContact C-NH1 3.33Å; A313-R389 PolarHBondContact O-NH1 2.72Å; Q314-R389 PolarHBondContact O-NH2 3.24Å; D318-R389 HydrophobicContact CB-CG 4.47Å; D318-R389 VanDerWaalsContact N-NH2 3.13Å; D318-R389 IonicContact OD1-CZ 2.71Å; D318-R389 IonicContact OD1-NE 3.6Å; D318-R389 PolarHBondContact OD1-NE 2.92Å; D318-R389 IonicContact OD1-NH1 2.76Å; D318-R389 IonicContact OD1-NH2 3.46Å; D318-R389 PolarHBondContact OD1-NH2 3Å; I321-R389 HydrophobicContact CB-CG 4.34Å; I321-R389 HydrophobicContact CG2-CG 3.98Å; N358-R389 HydrophobicContact CB-CB 4.39Å; N358-R389 CarbonylContact O-C 3.58Å; N358-R389 WeakPolarHBondContact OD1-CD 3.42Å; R389-R391 VanDerWaalsContact C-N 3.33Å; R389-R391 PolarHBondContact O-N 3.14Å; R389-A392 PolarHBondContact O-N 3.35Å; R389-A393 WeakPolarHBondContact O-CB 3.44Å; R389-A393 PolarHBondContact O-N 2.83Å |
| 390 | R | 85.3 | Confident | 78.3 | Confident | 29 Ų | 29 | 43.7 Ų | 43.7 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -45.6 | 177.3 | -76.4 | 175.8 | 154.1 | -140.2 | -30.6 | 111 | N358 M359 H360 F361 D365 T388 A393 C394 D436 | N358-R390 WeakPolarHBondContact O-CA 3.23Å; N358-R390 WeakPolarHBondContact O-CG 3.4Å; N358-R390 PolarHBondContact O-N 3.4Å; M359-R390 PolarHBondContact O-NE 2.95Å; M359-R390 PolarHBondContact O-NH2 2.92Å; H360-R390 PolarHBondContact O-NE 3.28Å; H360-R390 PolarHBondContact O-NH2 3.38Å; F361-R390 VanDerWaalsContact CB-NH2 3.35Å; D365-R390 IonicContact OD2-NE 3.76Å; T388-R390 VanDerWaalsContact C-N 3.28Å; T388-R390 PolarHBondContact O-N 3.3Å; R390-A393 PolarHBondContact O-N 3.03Å; R390-C394 WeakPolarHBondContact O-CB 3.22Å; R390-C394 PolarHBondContact O-N 3.49Å; R390-C394 PolarHBondContact O-SG 3.18Å; R390-D436 IonicContact CZ-OD2 2.66Å; R390-D436 IonicContact NH1-OD1 3.11Å; R390-D436 IonicContact NH2-OD1 3.82Å; R390-D436 IonicContact NH2-OD2 2.78Å; R390-D436 PolarHBondContact NH2-OD2 3.42Å |
| 391 | R | 82.6 | Confident | 78.6 | Confident | 116 Ų | 116 | 41.4 Ų | 41.4 | 44% | 0.438 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.2 | -42.1 | 179 | -171.4 | 58.4 | 168.9 | -147.7 | -10.9 | 112.4 | T388 R389 A393 C394 N395 | T388-R391 PolarHBondContact O-N 3.35Å; T388-R391 VanDerWaalsContact O-N 3.1Å; T388-R391 VanDerWaalsContact OG1-CB 3.27Å; T388-R391 WeakPolarHBondContact OG1-CB 3.39Å; T388-R391 PolarHBondContact OG1-N 2.79Å; R389-R391 VanDerWaalsContact C-N 3.33Å; R389-R391 PolarHBondContact O-N 3.14Å; R391-A393 VanDerWaalsContact C-N 3.34Å; R391-C394 PolarHBondContact O-N 2.85Å; R391-N395 WeakPolarHBondContact O-CB 3.36Å; R391-N395 PolarHBondContact O-N 3.39Å |
| 392 | A | 86.7 | Confident | 79.1 | Confident | 11 Ų | 11 | 46 Ų | 46 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | I325 T388 R389 N395 L396 | I325-A392 HydrophobicContact CB-CB 4.13Å; I325-A392 HydrophobicContact CG2-CB 3.89Å; I325-A392 VanDerWaalsContact CG2-O 3.28Å; I325-A392 WeakPolarHBondContact CG2-O 3.29Å; T388-A392 PolarHBondContact O-N 3.15Å; R389-A392 PolarHBondContact O-N 3.35Å; A392-N395 PolarHBondContact O-N 2.82Å; A392-L396 PolarHBondContact O-N 3.25Å |
| 393 | A | 90.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N358 M359 R389 R390 R391 N395 L396 V397 | N358-A393 HydrophobicContact CB-CB 4.04Å; M359-A393 HydrophobicContact CG-CB 3.71Å; R389-A393 WeakPolarHBondContact O-CB 3.44Å; R389-A393 PolarHBondContact O-N 2.83Å; R390-A393 PolarHBondContact O-N 3.03Å; R391-A393 VanDerWaalsContact C-N 3.34Å; A393-N395 VanDerWaalsContact C-N 3.32Å; A393-N395 PolarHBondContact O-N 3.26Å; A393-L396 PolarHBondContact O-N 3.02Å; A393-V397 WeakPolarHBondContact O-CG2 3.32Å; A393-V397 PolarHBondContact O-N 2.92Å |
| 394 | C | 88.8 | Confident | 81.3 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 174.9 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | R390 R391 V397 H398 S444 | R390-C394 WeakPolarHBondContact O-CB 3.22Å; R390-C394 PolarHBondContact O-N 3.49Å; R390-C394 PolarHBondContact O-SG 3.18Å; R391-C394 PolarHBondContact O-N 2.85Å; C394-V397 WeakPolarHBondContact O-CB 3.33Å; C394-V397 PolarHBondContact O-N 2.6Å; C394-H398 PolarHBondContact O-CD2 3.28Å; C394-H398 PolarHBondContact O-N 3.3Å; C394-S444 PolarHBondContact SG-OG 3.22Å; C394-S444 VanDerWaalsContact SG-OG 3.34Å |
| 395 | N | 88.3 | Confident | 82.6 | Confident | 79 Ų | 79 | 42.4 Ų | 42.4 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.5 | -42.3 | 175.4 | -170.3 | 49 | 0 | 0 | 0 | 111.7 | R391 A392 A393 V397 H398 V399 | R391-N395 WeakPolarHBondContact O-CB 3.36Å; R391-N395 PolarHBondContact O-N 3.39Å; A392-N395 PolarHBondContact O-N 2.82Å; A393-N395 VanDerWaalsContact C-N 3.32Å; A393-N395 PolarHBondContact O-N 3.26Å; N395-V397 VanDerWaalsContact C-N 3.31Å; N395-V397 PolarHBondContact O-N 3.19Å; N395-H398 WeakPolarHBondContact O-CB 2.96Å; N395-H398 PolarHBondContact O-N 2.83Å; N395-V399 WeakPolarHBondContact O-CG2 3.05Å; N395-V399 PolarHBondContact O-N 3.11Å |
| 396 | L | 91.7 | Very high | 84 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 174.5 | -179.2 | 60.5 | 0 | 0 | 0 | 111.8 | I325 I332 L350 V354 I355 A392 A393 V399 L400 | I325-L396 HydrophobicContact CG2-CB 3.79Å; I325-L396 HydrophobicContact CG2-CD2 3.96Å; I325-L396 HydrophobicContact CG2-CG 4.42Å; I332-L396 HydrophobicContact CD1-CD1 3.67Å; L350-L396 HydrophobicContact CD1-CD2 4.09Å; L350-L396 HydrophobicContact CG-CD2 4.44Å; V354-L396 HydrophobicContact CG1-CD2 4.44Å; I355-L396 HydrophobicContact CD1-CD2 3.94Å; I355-L396 HydrophobicContact CD1-CG 3.99Å; I355-L396 HydrophobicContact CG1-CD2 3.73Å; I355-L396 HydrophobicContact CG1-CG 4.24Å; A392-L396 PolarHBondContact O-N 3.25Å; A393-L396 PolarHBondContact O-N 3.02Å; L396-V399 PolarHBondContact O-N 3.41Å; L396-L400 HydrophobicContact CD1-CD1 4.1Å; L396-L400 HydrophobicContact CD1-CG 4.09Å; L396-L400 HydrophobicContact CG-CD1 3.91Å; L396-L400 HydrophobicContact CG-CG 4.38Å; L396-L400 VanDerWaalsContact O-CB 3.32Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 VanDerWaalsContact O-CG 3.27Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.18Å |
| 397 | V | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 172.5 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I355 M359 A393 C394 N395 L400 C401 F412 L441 V445 | I355-V397 HydrophobicContact CD1-CG2 4.16Å; I355-V397 HydrophobicContact CG2-CG2 3.53Å; M359-V397 HydrophobicContact SD-CG2 4.21Å; A393-V397 WeakPolarHBondContact O-CG2 3.32Å; A393-V397 PolarHBondContact O-N 2.92Å; C394-V397 WeakPolarHBondContact O-CB 3.33Å; C394-V397 PolarHBondContact O-N 2.6Å; N395-V397 VanDerWaalsContact C-N 3.31Å; N395-V397 PolarHBondContact O-N 3.19Å; V397-L400 PolarHBondContact O-N 3.3Å; V397-C401 WeakPolarHBondContact O-CB 3.2Å; V397-C401 PolarHBondContact O-N 3.26Å; V397-C401 PolarHBondContact O-SG 2.71Å; V397-F412 HydrophobicContact CB-CE2 4.37Å; V397-F412 HydrophobicContact CB-CZ 4.49Å; V397-F412 HydrophobicContact CG1-CD2 4.36Å; V397-F412 HydrophobicContact CG1-CE2 3.83Å; V397-F412 HydrophobicContact CG1-CZ 4.33Å; V397-F412 HydrophobicContact CG2-CE1 4.45Å; V397-F412 HydrophobicContact CG2-CE2 4.1Å; V397-F412 HydrophobicContact CG2-CZ 3.75Å; V397-L441 HydrophobicContact CG1-CD1 4.34Å; V397-L441 HydrophobicContact CG2-CD1 4.03Å; V397-V445 HydrophobicContact CG1-CG2 3.66Å |
| 398 | H | 87.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 34.8 Ų | 34.8 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -50.1 | 178.1 | -70.7 | -54.7 | 0 | 0 | 0 | 111.6 | C394 N395 L400 C401 E402 S444 S447 | C394-H398 PolarHBondContact O-CD2 3.28Å; C394-H398 PolarHBondContact O-N 3.3Å; N395-H398 WeakPolarHBondContact O-CB 2.96Å; N395-H398 PolarHBondContact O-N 2.83Å; H398-L400 PolarHBondContact O-N 3.06Å; H398-C401 PolarHBondContact O-N 3.12Å; H398-E402 PolarHBondContact O-N 3Å; H398-S444 PolarHBondContact CE1-O 3.47Å; H398-S444 PolarHBondContact ND1-O 2.93Å; H398-S447 PolarHBondContact ND1-O 3.01Å |
| 399 | V | 90.1 | Very high | 87.6 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 11% | 0.109 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | -178.6 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | I332 N395 L396 E402 A403 | I332-V399 HydrophobicContact CB-CG1 3.82Å; I332-V399 HydrophobicContact CG2-CG1 3.65Å; N395-V399 WeakPolarHBondContact O-CG2 3.05Å; N395-V399 PolarHBondContact O-N 3.11Å; L396-V399 PolarHBondContact O-N 3.41Å; V399-E402 PolarHBondContact O-N 2.91Å; V399-A403 WeakPolarHBondContact O-CB 3.33Å; V399-A403 PolarHBondContact O-N 3.27Å |
| 400 | L | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -40 | 175.4 | -77 | 169.2 | 0 | 0 | 0 | 112.4 | I332 L347 L350 I355 L396 V397 H398 E402 A403 F404 V408 | I332-L400 HydrophobicContact CD1-CD2 3.76Å; I332-L400 HydrophobicContact CD1-CG 4.3Å; I332-L400 HydrophobicContact CG2-CD2 4.23Å; L347-L400 HydrophobicContact CD2-CD2 4.04Å; L350-L400 HydrophobicContact CD2-CD1 3.59Å; L350-L400 HydrophobicContact CD2-CD2 3.69Å; L350-L400 HydrophobicContact CD2-CG 4.19Å; L350-L400 HydrophobicContact CG-CD1 4.17Å; I355-L400 HydrophobicContact CD1-CD1 3.44Å; I355-L400 VanDerWaalsContact CD1-CD1 3.44Å; L396-L400 HydrophobicContact CD1-CD1 4.1Å; L396-L400 HydrophobicContact CD1-CG 4.09Å; L396-L400 HydrophobicContact CG-CD1 3.91Å; L396-L400 HydrophobicContact CG-CG 4.38Å; L396-L400 VanDerWaalsContact O-CB 3.32Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 VanDerWaalsContact O-CG 3.27Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.18Å; V397-L400 PolarHBondContact O-N 3.3Å; H398-L400 PolarHBondContact O-N 3.06Å; L400-E402 VanDerWaalsContact C-N 3.31Å; L400-A403 PolarHBondContact O-N 2.81Å; L400-F404 HydrophobicContact CD2-CD2 4Å; L400-F404 HydrophobicContact CD2-CE2 4.23Å; L400-F404 PolarHBondContact O-N 3.4Å; L400-V408 HydrophobicContact CB-CG1 3.95Å; L400-V408 HydrophobicContact CB-CG2 4.15Å |
| 401 | C | 88.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.1 | -35.4 | 176.5 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | V397 H398 E405 | V397-C401 WeakPolarHBondContact O-CB 3.2Å; V397-C401 PolarHBondContact O-N 3.26Å; V397-C401 PolarHBondContact O-SG 2.71Å; H398-C401 PolarHBondContact O-N 3.12Å; C401-E405 WeakPolarHBondContact O-CA 3.43Å; C401-E405 WeakPolarHBondContact O-CB 3.43Å; C401-E405 PolarHBondContact O-N 3.09Å |
| 402 | E | 87.6 | Confident | 88.4 | Confident | 144 Ų | 144 | 31.6 Ų | 31.6 | 67% | 0.673 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -69.9 | -35.5 | 173.8 | -170.3 | -178.1 | 167.4 | 0 | 0 | 112.1 | H398 V399 L400 | H398-E402 PolarHBondContact O-N 3Å; V399-E402 PolarHBondContact O-N 2.91Å; L400-E402 VanDerWaalsContact C-N 3.31Å |
| 403 | A | 89.9 | Confident | 88.5 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -82.7 | -37.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I332 R338 V399 L400 | I332-A403 HydrophobicContact CG2-CB 3.65Å; R338-A403 HydrophobicContact CG-CB 4.46Å; V399-A403 WeakPolarHBondContact O-CB 3.33Å; V399-A403 PolarHBondContact O-N 3.27Å; L400-A403 PolarHBondContact O-N 2.81Å |
| 404 | F | 89.7 | Confident | 88.6 | Confident | 35 Ų | 35 | 37.2 Ų | 37.2 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -140.7 | 41 | -168.2 | -51.4 | -73 | 0 | 0 | 0 | 112.7 | I332 R338 F341 E342 L347 L400 G406 A407 V408 | I332-F404 HydrophobicContact CG2-CE2 3.98Å; R338-F404 HydrophobicContact CB-CE1 3.91Å; R338-F404 HydrophobicContact CB-CZ 3.63Å; R338-F404 HydrophobicContact CG-CE1 4.45Å; R338-F404 HydrophobicContact CG-CZ 3.98Å; R338-F404 WeakPolarHBondContact O-CZ 3.19Å; F341-F404 HydrophobicContact CB-CE2 4.02Å; F341-F404 HydrophobicContact CB-CZ 4.04Å; E342-F404 HydrophobicContact CB-CE1 4.14Å; L347-F404 HydrophobicContact CD1-CB 4.18Å; L347-F404 HydrophobicContact CD1-CG 4.22Å; L347-F404 HydrophobicContact CD2-CD2 3.79Å; L347-F404 HydrophobicContact CD2-CE2 4.07Å; L347-F404 HydrophobicContact CD2-CG 4.29Å; L400-F404 HydrophobicContact CD2-CD2 4Å; L400-F404 HydrophobicContact CD2-CE2 4.23Å; L400-F404 PolarHBondContact O-N 3.4Å; F404-G406 PolarHBondContact O-N 3.45Å; F404-G406 VanDerWaalsContact O-N 3.12Å; F404-A407 PolarHBondContact O-N 3.08Å; F404-V408 HydrophobicContact CB-CG2 3.71Å; F404-V408 PolarHBondContact O-N 2.88Å; F404-V408 VanDerWaalsContact O-N 3.14Å |
| 405 | E | 82.4 | Confident | 88.6 | Confident | 77 Ų | 77 | 38.5 Ų | 38.5 | 36% | 0.36 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -39.2 | -58.5 | -167.1 | -169.6 | 164.6 | -150.9 | 0 | 0 | 114.4 | C401 A407 V408 V409 R448 T460 L462 | C401-E405 WeakPolarHBondContact O-CA 3.43Å; C401-E405 WeakPolarHBondContact O-CB 3.43Å; C401-E405 PolarHBondContact O-N 3.09Å; E405-A407 PolarHBondContact O-N 3.46Å; E405-V408 PolarHBondContact O-N 3.26Å; E405-V409 HydrophobicContact CG-CG2 3.93Å; E405-V409 WeakPolarHBondContact O-CB 3.42Å; E405-V409 WeakPolarHBondContact O-CG2 3.37Å; E405-V409 PolarHBondContact O-N 2.57Å; E405-R448 IonicContact OE1-CZ 2.87Å; E405-R448 IonicContact OE1-NE 3.76Å; E405-R448 IonicContact OE1-NH2 3.89Å; E405-R448 PolarHBondContact OE1-NH2 3.32Å; E405-T460 PolarHBondContact OE1-OG1 3.06Å; E405-L462 HydrophobicContact CG-CD1 3.95Å |
| 406 | G | 83.7 | Confident | 88.8 | Confident | 45 Ų | 45 | 35.5 Ų | 35.5 | 46% | 0.464 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.5 | -54.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F404 T410 | F404-G406 PolarHBondContact O-N 3.45Å; F404-G406 VanDerWaalsContact O-N 3.12Å; G406-T410 WeakPolarHBondContact O-CB 3.04Å; G406-T410 PolarHBondContact O-N 2.91Å; G406-T410 VanDerWaalsContact O-N 3.09Å; G406-T410 PolarHBondContact O-OG1 3.09Å |
| 407 | A | 86.4 | Confident | 88.8 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.4 | -41.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L347 F404 E405 T410 N411 | L347-A407 HydrophobicContact CD1-CB 4.16Å; F404-A407 PolarHBondContact O-N 3.08Å; E405-A407 PolarHBondContact O-N 3.46Å; A407-T410 PolarHBondContact O-N 3.17Å; A407-N411 VanDerWaalsContact O-CG 3.31Å; A407-N411 PolarHBondContact O-N 3.19Å |
| 408 | V | 88.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.1 | -43.7 | -177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L347 L400 F404 E405 T410 N411 F412 | L347-V408 HydrophobicContact CD1-CG2 4.34Å; L347-V408 HydrophobicContact CD2-CG2 4.29Å; L400-V408 HydrophobicContact CB-CG1 3.95Å; L400-V408 HydrophobicContact CB-CG2 4.15Å; F404-V408 HydrophobicContact CB-CG2 3.71Å; F404-V408 PolarHBondContact O-N 2.88Å; F404-V408 VanDerWaalsContact O-N 3.14Å; E405-V408 PolarHBondContact O-N 3.26Å; V408-T410 VanDerWaalsContact C-N 3.33Å; V408-T410 PolarHBondContact O-N 3.11Å; V408-N411 PolarHBondContact O-N 2.81Å; V408-F412 HydrophobicContact CG1-CD2 3.54Å; V408-F412 HydrophobicContact CG1-CE2 3.27Å; V408-F412 HydrophobicContact CG1-CZ 4.3Å; V408-F412 VanDerWaalsContact O-CD2 3.26Å; V408-F412 WeakPolarHBondContact O-CD2 3.45Å; V408-F412 PolarHBondContact O-N 3.48Å |
| 409 | V | 86.3 | Confident | 89.1 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | E405 F412 A413 V445 L462 | E405-V409 HydrophobicContact CG-CG2 3.93Å; E405-V409 WeakPolarHBondContact O-CB 3.42Å; E405-V409 WeakPolarHBondContact O-CG2 3.37Å; E405-V409 PolarHBondContact O-N 2.57Å; V409-F412 PolarHBondContact O-N 3.04Å; V409-A413 VanDerWaalsContact O-CB 3.28Å; V409-A413 WeakPolarHBondContact O-CB 3.22Å; V409-A413 PolarHBondContact O-N 2.94Å; V409-V445 HydrophobicContact CG1-CG1 4.45Å; V409-V445 HydrophobicContact CG2-CG1 4.04Å; V409-L462 HydrophobicContact CB-CD1 3.88Å; V409-L462 HydrophobicContact CG1-CB 3.76Å; V409-L462 HydrophobicContact CG1-CD1 3.69Å; V409-L462 HydrophobicContact CG1-CG 4.37Å; V409-L462 HydrophobicContact CG2-CD1 3.97Å |
| 410 | T | 87.4 | Confident | 89.3 | Confident | 85 Ų | 85 | 45.1 Ų | 45.1 | 52% | 0.521 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | G406 A407 V408 A413 T414 | G406-T410 WeakPolarHBondContact O-CB 3.04Å; G406-T410 PolarHBondContact O-N 2.91Å; G406-T410 VanDerWaalsContact O-N 3.09Å; G406-T410 PolarHBondContact O-OG1 3.09Å; A407-T410 PolarHBondContact O-N 3.17Å; V408-T410 VanDerWaalsContact C-N 3.33Å; V408-T410 PolarHBondContact O-N 3.11Å; T410-A413 PolarHBondContact O-N 2.76Å; T410-T414 PolarHBondContact O-N 2.93Å; T410-T414 VanDerWaalsContact O-N 3.16Å; T410-T414 PolarHBondContact O-OG1 3.08Å |
| 411 | N | 88.9 | Confident | 89.4 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -51.8 | 175.5 | -74.6 | -13.2 | 0 | 0 | 0 | 110.6 | A407 V408 A413 T414 Y415 | A407-N411 VanDerWaalsContact O-CG 3.31Å; A407-N411 PolarHBondContact O-N 3.19Å; V408-N411 PolarHBondContact O-N 2.81Å; N411-A413 PolarHBondContact O-N 3.19Å; N411-T414 WeakPolarHBondContact O-CB 3.1Å; N411-T414 PolarHBondContact O-N 3.26Å; N411-Y415 HydrophobicContact CB-CE2 4.31Å; N411-Y415 WeakPolarHBondContact O-CD2 3.45Å; N411-Y415 PolarHBondContact O-N 2.87Å; N411-Y415 VanDerWaalsContact O-N 3.11Å |
| 412 | F | 90.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | -179.6 | -70.1 | -46.6 | 0 | 0 | 0 | 113.4 | C351 I355 V397 V408 V409 T414 Y415 I416 L441 V445 | C351-F412 HydrophobicContact CB-CD1 4.42Å; C351-F412 HydrophobicContact CB-CE1 3.8Å; C351-F412 HydrophobicContact CB-CZ 4.31Å; C351-F412 VanDerWaalsContact SG-CE1 3.53Å; C351-F412 VanDerWaalsContact SG-CZ 3.5Å; I355-F412 HydrophobicContact CD1-CE1 4.42Å; I355-F412 HydrophobicContact CD1-CZ 3.76Å; I355-F412 HydrophobicContact CG2-CE1 4.12Å; I355-F412 HydrophobicContact CG2-CZ 4.22Å; V397-F412 HydrophobicContact CB-CE2 4.37Å; V397-F412 HydrophobicContact CB-CZ 4.49Å; V397-F412 HydrophobicContact CG1-CD2 4.36Å; V397-F412 HydrophobicContact CG1-CE2 3.83Å; V397-F412 HydrophobicContact CG1-CZ 4.33Å; V397-F412 HydrophobicContact CG2-CE1 4.45Å; V397-F412 HydrophobicContact CG2-CE2 4.1Å; V397-F412 HydrophobicContact CG2-CZ 3.75Å; V408-F412 HydrophobicContact CG1-CD2 3.54Å; V408-F412 HydrophobicContact CG1-CE2 3.27Å; V408-F412 HydrophobicContact CG1-CZ 4.3Å; V408-F412 VanDerWaalsContact O-CD2 3.26Å; V408-F412 WeakPolarHBondContact O-CD2 3.45Å; V408-F412 PolarHBondContact O-N 3.48Å; V409-F412 PolarHBondContact O-N 3.04Å; F412-T414 VanDerWaalsContact C-N 3.31Å; F412-T414 PolarHBondContact O-N 2.9Å; F412-Y415 HydrophobicContact CD1-CD2 4.48Å; F412-Y415 PolarHBondContact O-N 2.74Å; F412-I416 HydrophobicContact CB-CD1 4.43Å; F412-I416 WeakPolarHBondContact O-CB 3.27Å; F412-I416 WeakPolarHBondContact O-CD1 3.24Å; F412-I416 WeakPolarHBondContact O-CG1 3.43Å; F412-I416 PolarHBondContact O-N 3.02Å; F412-L441 HydrophobicContact CB-CD2 4.19Å; F412-L441 HydrophobicContact CB-CG 4.4Å; F412-L441 HydrophobicContact CD1-CD1 3.63Å; F412-L441 HydrophobicContact CD1-CD2 3.72Å; F412-L441 HydrophobicContact CD1-CG 4.14Å; F412-L441 HydrophobicContact CD2-CD1 4.43Å; F412-L441 HydrophobicContact CE1-CD1 3.81Å; F412-L441 HydrophobicContact CE1-CD2 4.48Å; F412-L441 HydrophobicContact CG-CD1 3.97Å; F412-L441 HydrophobicContact CG-CD2 4.23Å; F412-L441 HydrophobicContact CG-CG 4.35Å; F412-L441 HydrophobicContact CZ-CD1 4.29Å; F412-V445 HydrophobicContact CB-CG2 3.89Å; F412-V445 HydrophobicContact CD2-CG2 3.57Å; F412-V445 HydrophobicContact CE2-CG2 4.31Å; F412-V445 HydrophobicContact CG-CG2 3.93Å |
| 413 | A | 89 | Confident | 89.9 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V409 T410 N411 Y415 I416 E417 | V409-A413 VanDerWaalsContact O-CB 3.28Å; V409-A413 WeakPolarHBondContact O-CB 3.22Å; V409-A413 PolarHBondContact O-N 2.94Å; T410-A413 PolarHBondContact O-N 2.76Å; N411-A413 PolarHBondContact O-N 3.19Å; A413-Y415 PolarHBondContact O-N 3.38Å; A413-I416 PolarHBondContact O-N 3.05Å; A413-E417 WeakPolarHBondContact O-CG 3.39Å; A413-E417 PolarHBondContact O-N 2.97Å |
| 414 | T | 90.4 | Very high | 90 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 176.5 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | T410 N411 F412 H418 | T410-T414 PolarHBondContact O-N 2.93Å; T410-T414 VanDerWaalsContact O-N 3.16Å; T410-T414 PolarHBondContact O-OG1 3.08Å; N411-T414 WeakPolarHBondContact O-CB 3.1Å; N411-T414 PolarHBondContact O-N 3.26Å; F412-T414 VanDerWaalsContact C-N 3.31Å; F412-T414 PolarHBondContact O-N 2.9Å; T414-H418 PolarHBondContact O-N 3.04Å |
| 415 | Y | 90.4 | Very high | 90.1 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 15% | 0.145 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 177.4 | -68.3 | -62.5 | 0 | 0 | 0 | 112.7 | C351 E352 L356 N411 F412 A413 H418 L419 | C351-Y415 HydrophobicContact CB-CD2 4.48Å; C351-Y415 HydrophobicContact CB-CE2 3.94Å; E352-Y415 HydrophobicContact CG-CE1 4.38Å; L356-Y415 HydrophobicContact CD1-CD1 3.75Å; L356-Y415 HydrophobicContact CD1-CD2 4.37Å; L356-Y415 HydrophobicContact CD1-CE1 4.1Å; L356-Y415 HydrophobicContact CD1-CG 3.91Å; N411-Y415 HydrophobicContact CB-CE2 4.31Å; N411-Y415 WeakPolarHBondContact O-CD2 3.45Å; N411-Y415 PolarHBondContact O-N 2.87Å; N411-Y415 VanDerWaalsContact O-N 3.11Å; F412-Y415 HydrophobicContact CD1-CD2 4.48Å; F412-Y415 PolarHBondContact O-N 2.74Å; A413-Y415 PolarHBondContact O-N 3.38Å; Y415-H418 PolarHBondContact O-N 3.12Å; Y415-L419 WeakPolarHBondContact O-CB 3.43Å; Y415-L419 VanDerWaalsContact O-CG 3.26Å; Y415-L419 WeakPolarHBondContact O-CG 3.19Å; Y415-L419 PolarHBondContact O-N 3.38Å |
| 416 | I | 91.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 175.6 | -70.7 | 158.4 | 0 | 0 | 0 | 109.6 | F412 A413 H418 L419 L420 L441 V442 F468 | F412-I416 HydrophobicContact CB-CD1 4.43Å; F412-I416 WeakPolarHBondContact O-CB 3.27Å; F412-I416 WeakPolarHBondContact O-CD1 3.24Å; F412-I416 WeakPolarHBondContact O-CG1 3.43Å; F412-I416 PolarHBondContact O-N 3.02Å; A413-I416 PolarHBondContact O-N 3.05Å; I416-H418 VanDerWaalsContact C-N 3.33Å; I416-H418 PolarHBondContact O-N 2.82Å; I416-L419 PolarHBondContact O-N 2.99Å; I416-L420 HydrophobicContact CG2-CD1 3.69Å; I416-L420 HydrophobicContact CG2-CG 4.29Å; I416-L420 WeakPolarHBondContact O-CB 3.39Å; I416-L420 WeakPolarHBondContact O-CG 3.45Å; I416-L420 PolarHBondContact O-N 2.94Å; I416-L441 HydrophobicContact CD1-CD2 4.22Å; I416-L441 HydrophobicContact CD1-CG 4.15Å; I416-L441 HydrophobicContact CG1-CB 4.34Å; I416-L441 HydrophobicContact CG1-CD2 3.69Å; I416-L441 HydrophobicContact CG1-CG 4.04Å; I416-V442 HydrophobicContact CD1-CG2 3.5Å; I416-V442 HydrophobicContact CG1-CG2 3.93Å; I416-V442 HydrophobicContact CG2-CG2 3.76Å; I416-F468 HydrophobicContact CG2-CE2 4.39Å |
| 417 | E | 92.3 | Very high | 90.6 | Very high | 127 Ų | 127 | 57 Ų | 57 | 59% | 0.593 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.5 | -43.1 | 176 | -74.5 | -178.1 | -176.8 | 0 | 0 | 112 | A413 N421 | A413-E417 WeakPolarHBondContact O-CG 3.39Å; A413-E417 PolarHBondContact O-N 2.97Å; E417-N421 VanDerWaalsContact O-CB 3.28Å; E417-N421 WeakPolarHBondContact O-CB 3.35Å; E417-N421 PolarHBondContact O-N 3.21Å; E417-N421 PolarHBondContact O-ND2 3.23Å |
| 418 | H | 93 | Very high | 90.4 | Very high | 122 Ų | 122 | 61.8 Ų | 61.8 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.9 | -49.9 | 177.2 | -178.3 | 67.5 | 0 | 0 | 0 | 112.5 | T414 Y415 I416 L420 N421 E422 | T414-H418 PolarHBondContact O-N 3.04Å; Y415-H418 PolarHBondContact O-N 3.12Å; I416-H418 VanDerWaalsContact C-N 3.33Å; I416-H418 PolarHBondContact O-N 2.82Å; H418-L420 PolarHBondContact O-N 2.83Å; H418-N421 PolarHBondContact O-N 2.83Å; H418-E422 PolarHBondContact O-N 2.81Å |
| 419 | L | 92.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | -179.7 | -70.3 | 171.1 | 0 | 0 | 0 | 112.2 | L356 Y415 I416 E422 Y423 S434 A437 A438 | L356-L419 HydrophobicContact CD2-CD1 4.48Å; Y415-L419 WeakPolarHBondContact O-CB 3.43Å; Y415-L419 VanDerWaalsContact O-CG 3.26Å; Y415-L419 WeakPolarHBondContact O-CG 3.19Å; Y415-L419 PolarHBondContact O-N 3.38Å; I416-L419 PolarHBondContact O-N 2.99Å; L419-E422 PolarHBondContact O-N 3.48Å; L419-Y423 PolarHBondContact O-N 3.18Å; L419-Y423 VanDerWaalsContact O-N 3.1Å; L419-S434 WeakPolarHBondContact O-CB 3.5Å; L419-A437 HydrophobicContact CD1-CB 4.16Å; L419-A438 HydrophobicContact CB-CB 4.01Å; L419-A438 HydrophobicContact CD1-CB 4.4Å |
| 420 | L | 93.5 | Very high | 90.2 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | 175.5 | -69.2 | 173.6 | 0 | 0 | 0 | 111.8 | I416 H418 Y423 T424 K435 A438 F468 | I416-L420 HydrophobicContact CG2-CD1 3.69Å; I416-L420 HydrophobicContact CG2-CG 4.29Å; I416-L420 WeakPolarHBondContact O-CB 3.39Å; I416-L420 WeakPolarHBondContact O-CG 3.45Å; I416-L420 PolarHBondContact O-N 2.94Å; H418-L420 PolarHBondContact O-N 2.83Å; L420-Y423 WeakPolarHBondContact O-CB 3.31Å; L420-Y423 PolarHBondContact O-N 3.3Å; L420-T424 PolarHBondContact O-N 2.81Å; L420-T424 PolarHBondContact O-OG1 3.07Å; L420-K435 HydrophobicContact CD2-CD 3.58Å; L420-A438 HydrophobicContact CD2-CB 3.83Å; L420-A438 HydrophobicContact CG-CB 3.97Å; L420-F468 HydrophobicContact CD1-CE2 3.99Å |
| 421 | N | 94.1 | Very high | 90.4 | Very high | 89 Ų | 89 | 60.7 Ų | 60.7 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 175.4 | -75.6 | -34.5 | 0 | 0 | 0 | 111.8 | E417 H418 Y423 T424 N425 | E417-N421 VanDerWaalsContact O-CB 3.28Å; E417-N421 WeakPolarHBondContact O-CB 3.35Å; E417-N421 PolarHBondContact O-N 3.21Å; E417-N421 PolarHBondContact O-ND2 3.23Å; H418-N421 PolarHBondContact O-N 2.83Å; N421-Y423 VanDerWaalsContact C-N 3.34Å; N421-T424 PolarHBondContact O-N 2.84Å; N421-N425 VanDerWaalsContact O-CB 3.23Å; N421-N425 WeakPolarHBondContact O-CB 3.5Å; N421-N425 PolarHBondContact O-N 2.81Å; N421-N425 PolarHBondContact O-ND2 2.83Å |
| 422 | E | 93.6 | Very high | 90.7 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.3 | -171.4 | -173.5 | -176.2 | 0 | 0 | 111.2 | H418 L419 T426 A431 S434 | H418-E422 PolarHBondContact O-N 2.81Å; L419-E422 PolarHBondContact O-N 3.48Å; E422-T426 WeakPolarHBondContact O-CB 3.22Å; E422-T426 PolarHBondContact O-N 2.91Å; E422-T426 VanDerWaalsContact O-N 3.15Å; E422-T426 PolarHBondContact O-OG1 3.4Å; E422-A431 HydrophobicContact CG-CB 4.02Å; E422-S434 WeakPolarHBondContact OE2-CB 3.25Å; E422-S434 PolarHBondContact OE2-OG 3.36Å |
| 423 | Y | 94 | Very high | 90.8 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.3 | -51.9 | 174.1 | 173.5 | -104.5 | 0 | 0 | 0 | 112.1 | L419 L420 N421 N425 T426 W432 K435 E476 L485 | L419-Y423 PolarHBondContact O-N 3.18Å; L419-Y423 VanDerWaalsContact O-N 3.1Å; L420-Y423 WeakPolarHBondContact O-CB 3.31Å; L420-Y423 PolarHBondContact O-N 3.3Å; N421-Y423 VanDerWaalsContact C-N 3.34Å; Y423-N425 VanDerWaalsContact C-N 3.32Å; Y423-N425 PolarHBondContact O-N 3.36Å; Y423-T426 PolarHBondContact O-N 3.21Å; Y423-W432 HydrophobicContact CE2-CB 4.42Å; Y423-K435 HydrophobicContact CD1-CB 4.21Å; Y423-K435 HydrophobicContact CD1-CD 3.81Å; Y423-K435 HydrophobicContact CD1-CG 4.21Å; Y423-K435 HydrophobicContact CD2-CB 3.66Å; Y423-K435 HydrophobicContact CD2-CG 4.33Å; Y423-K435 HydrophobicContact CE1-CD 4.11Å; Y423-K435 HydrophobicContact CE1-CG 4.32Å; Y423-K435 HydrophobicContact CE2-CB 4.13Å; Y423-K435 HydrophobicContact CE2-CG 4.44Å; Y423-K435 HydrophobicContact CG-CB 3.69Å; Y423-K435 HydrophobicContact CG-CD 4.15Å; Y423-K435 HydrophobicContact CG-CG 4.21Å; Y423-E476 PolarHBondContact OH-OE1 3.21Å; Y423-L485 HydrophobicContact CE2-CD1 4.19Å |
| 424 | T | 91.2 | Very high | 91 | Very high | 96 Ų | 96 | 61.5 Ų | 61.5 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.5 | -35.1 | -177.2 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | L420 N421 | L420-T424 PolarHBondContact O-N 2.81Å; L420-T424 PolarHBondContact O-OG1 3.07Å; N421-T424 PolarHBondContact O-N 2.84Å |
| 425 | N | 92.7 | Very high | 91.2 | Very high | 125 Ų | 125 | 57.6 Ų | 57.6 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -83.7 | -11.1 | -178.6 | -67.4 | -38.6 | 0 | 0 | 0 | 113.5 | N421 Y423 P427 | N421-N425 VanDerWaalsContact O-CB 3.23Å; N421-N425 WeakPolarHBondContact O-CB 3.5Å; N421-N425 PolarHBondContact O-N 2.81Å; N421-N425 PolarHBondContact O-ND2 2.83Å; Y423-N425 VanDerWaalsContact C-N 3.32Å; Y423-N425 PolarHBondContact O-N 3.36Å; N425-P427 WeakPolarHBondContact O-CD 3.38Å |
| 426 | T | 91.9 | Very high | 91.3 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -93.9 | 117.5 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | E422 Y423 A431 | E422-T426 WeakPolarHBondContact O-CB 3.22Å; E422-T426 PolarHBondContact O-N 2.91Å; E422-T426 VanDerWaalsContact O-N 3.15Å; E422-T426 PolarHBondContact O-OG1 3.4Å; Y423-T426 PolarHBondContact O-N 3.21Å; T426-A431 HydrophobicContact CG2-CB 4.01Å; T426-A431 WeakPolarHBondContact OG1-CB 3.27Å |
| 427 | P | 84.7 | Confident | 91.4 | Very high | 101 Ų | 101 | 55.1 Ų | 55.1 | 66% | 0.656 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -57.5 | 151.1 | -179.5 | -24.1 | 33.4 | 0 | 0 | 0 | 113.1 | N425 G429 G430 | N425-P427 WeakPolarHBondContact O-CD 3.38Å; P427-G429 PolarHBondContact O-N 2.92Å; P427-G430 PolarHBondContact O-N 3.43Å |
| 428 | N | 82 | Confident | 91.4 | Very high | 150 Ų | 150 | 49.1 Ų | 49.1 | 80% | 0.802 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | 58.7 | 13.9 | 175.3 | -53.9 | -34.5 | 0 | 0 | 0 | 115.2 | G430 Y484 | N428-G430 VanDerWaalsContact C-N 3.33Å; N428-Y484 PolarHBondContact O-OH 3.38Å |
| 429 | G | 81.9 | Confident | 91.4 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | 72.7 | 25.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P427 A431 W432 Y484 | P427-G429 PolarHBondContact O-N 2.92Å; G429-A431 PolarHBondContact O-N 3.14Å; G429-W432 WeakPolarHBondContact O-CB 3.26Å; G429-W432 PolarHBondContact O-N 3.16Å; G429-Y484 PolarHBondContact N-OH 2.77Å |
| 430 | G | 89 | Confident | 91.3 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 57% | 0.567 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P427 N428 W432 | P427-G430 PolarHBondContact O-N 3.43Å; N428-G430 VanDerWaalsContact C-N 3.33Å; G430-W432 VanDerWaalsContact C-N 3.34Å; G430-W432 PolarHBondContact O-N 3.34Å |
| 431 | A | 92 | Very high | 91.2 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E422 T426 G429 T433 S434 | E422-A431 HydrophobicContact CG-CB 4.02Å; T426-A431 HydrophobicContact CG2-CB 4.01Å; T426-A431 WeakPolarHBondContact OG1-CB 3.27Å; G429-A431 PolarHBondContact O-N 3.14Å; A431-T433 PolarHBondContact O-N 3.28Å; A431-S434 WeakPolarHBondContact O-CB 3.44Å; A431-S434 PolarHBondContact O-N 2.97Å; A431-S434 VanDerWaalsContact O-N 3.14Å |
| 432 | W | 93.9 | Very high | 91 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.9 | -32.9 | 179.1 | 67.7 | -93.3 | 0 | 0 | 0 | 112.3 | F361 Y423 G429 G430 S434 K435 D436 L485 V487 I488 | F361-W432 HydrophobicContact CB-CH2 4.22Å; F361-W432 HydrophobicContact CB-CZ3 4.12Å; F361-W432 AromaticContact CD1-CH2 3.61Å; F361-W432 HydrophobicContact CD1-CH2 3.61Å; F361-W432 HydrophobicContact CD1-CZ3 4.07Å; F361-W432 HydrophobicContact CD2-CZ3 4.34Å; F361-W432 HydrophobicContact CE1-CH2 4.07Å; F361-W432 AromaticContact CG-CH2 3.95Å; F361-W432 HydrophobicContact CG-CH2 3.95Å; F361-W432 AromaticContact CG-CZ3 3.94Å; F361-W432 HydrophobicContact CG-CZ3 3.94Å; Y423-W432 HydrophobicContact CE2-CB 4.42Å; G429-W432 WeakPolarHBondContact O-CB 3.26Å; G429-W432 PolarHBondContact O-N 3.16Å; G430-W432 VanDerWaalsContact C-N 3.34Å; G430-W432 PolarHBondContact O-N 3.34Å; W432-S434 PolarHBondContact O-N 3.33Å; W432-K435 WeakPolarHBondContact O-CA 3.31Å; W432-K435 WeakPolarHBondContact O-CB 3.36Å; W432-K435 PolarHBondContact O-N 3.15Å; W432-D436 PolarHBondContact O-N 2.95Å; W432-L485 HydrophobicContact CB-CD1 4.18Å; W432-L485 HydrophobicContact CB-CD2 4.14Å; W432-L485 HydrophobicContact CG-CD2 4.26Å; W432-V487 HydrophobicContact CE3-CB 4.38Å; W432-V487 HydrophobicContact CE3-CG1 4.34Å; W432-V487 HydrophobicContact CH2-CG1 4.43Å; W432-V487 HydrophobicContact CH2-CG2 4.39Å; W432-V487 HydrophobicContact CZ3-CB 3.97Å; W432-V487 HydrophobicContact CZ3-CG1 3.69Å; W432-V487 HydrophobicContact CZ3-CG2 4.31Å; W432-I488 HydrophobicContact CB-CD1 4.25Å; W432-I488 HydrophobicContact CB-CG1 3.99Å; W432-I488 HydrophobicContact CE3-CD1 4.12Å; W432-I488 HydrophobicContact CE3-CG1 4.47Å; W432-I488 WeakPolarHBondContact O-CD1 3.49Å |
| 433 | T | 92.5 | Very high | 90.8 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 27% | 0.27 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.6 | -32.7 | 176.4 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | F361 A431 D436 A437 | F361-T433 HydrophobicContact CB-CG2 4.37Å; A431-T433 PolarHBondContact O-N 3.28Å; T433-D436 PolarHBondContact O-N 3.26Å; T433-A437 WeakPolarHBondContact O-CB 3.35Å; T433-A437 PolarHBondContact O-N 3.37Å |
| 434 | S | 93 | Very high | 90.6 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 173.5 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | L419 E422 A431 W432 A438 | L419-S434 WeakPolarHBondContact O-CB 3.5Å; E422-S434 WeakPolarHBondContact OE2-CB 3.25Å; E422-S434 PolarHBondContact OE2-OG 3.36Å; A431-S434 WeakPolarHBondContact O-CB 3.44Å; A431-S434 PolarHBondContact O-N 2.97Å; A431-S434 VanDerWaalsContact O-N 3.14Å; W432-S434 PolarHBondContact O-N 3.33Å; S434-A438 WeakPolarHBondContact O-CB 3.44Å; S434-A438 PolarHBondContact O-N 3.43Å |
| 435 | K | 94.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.4 | -44.2 | 175.2 | -176.5 | 72.8 | 176.9 | -150.6 | 0 | 112.1 | L420 Y423 W432 A438 L439 H472 I488 | L420-K435 HydrophobicContact CD2-CD 3.58Å; Y423-K435 HydrophobicContact CD1-CB 4.21Å; Y423-K435 HydrophobicContact CD1-CD 3.81Å; Y423-K435 HydrophobicContact CD1-CG 4.21Å; Y423-K435 HydrophobicContact CD2-CB 3.66Å; Y423-K435 HydrophobicContact CD2-CG 4.33Å; Y423-K435 HydrophobicContact CE1-CD 4.11Å; Y423-K435 HydrophobicContact CE1-CG 4.32Å; Y423-K435 HydrophobicContact CE2-CB 4.13Å; Y423-K435 HydrophobicContact CE2-CG 4.44Å; Y423-K435 HydrophobicContact CG-CB 3.69Å; Y423-K435 HydrophobicContact CG-CD 4.15Å; Y423-K435 HydrophobicContact CG-CG 4.21Å; W432-K435 WeakPolarHBondContact O-CA 3.31Å; W432-K435 WeakPolarHBondContact O-CB 3.36Å; W432-K435 PolarHBondContact O-N 3.15Å; K435-A438 PolarHBondContact O-N 2.86Å; K435-L439 HydrophobicContact CG-CD1 4.31Å; K435-L439 WeakPolarHBondContact O-CG 3.49Å; K435-L439 PolarHBondContact O-N 3.33Å; K435-H472 WeakPolarHBondContact CE-O 3.41Å; K435-H472 PolarHBondContact NZ-O 3.16Å; K435-I488 HydrophobicContact CB-CD1 3.97Å; K435-I488 HydrophobicContact CG-CD1 4.03Å; K435-I488 HydrophobicContact CG-CG2 4.17Å |
| 436 | D | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.5 | -51.4 | 173.2 | 155.8 | 81.8 | 0 | 0 | 0 | 110.7 | F361 R390 W432 T433 A438 L439 L440 I488 D491 | F361-D436 WeakPolarHBondContact CB-OD2 3.49Å; R390-D436 IonicContact CZ-OD2 2.66Å; R390-D436 IonicContact NH1-OD1 3.11Å; R390-D436 IonicContact NH2-OD1 3.82Å; R390-D436 IonicContact NH2-OD2 2.78Å; R390-D436 PolarHBondContact NH2-OD2 3.42Å; W432-D436 PolarHBondContact O-N 2.95Å; T433-D436 PolarHBondContact O-N 3.26Å; D436-A438 VanDerWaalsContact C-N 3.3Å; D436-A438 PolarHBondContact O-N 3.3Å; D436-L439 PolarHBondContact O-N 3.05Å; D436-L439 VanDerWaalsContact O-N 3.15Å; D436-L440 PolarHBondContact O-N 3.09Å; D436-I488 HydrophobicContact CB-CD1 4Å; D436-D491 WeakPolarHBondContact CB-OD2 3.46Å; D436-D491 VanDerWaalsContact OD1-OD2 3.13Å |
| 437 | A | 91.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | L419 T433 L440 L441 | L419-A437 HydrophobicContact CD1-CB 4.16Å; T433-A437 WeakPolarHBondContact O-CB 3.35Å; T433-A437 PolarHBondContact O-N 3.37Å; A437-L440 PolarHBondContact O-N 3.38Å; A437-L441 WeakPolarHBondContact O-CB 3.44Å; A437-L441 PolarHBondContact O-N 3.02Å |
| 438 | A | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L419 L420 S434 K435 D436 L441 V442 | L419-A438 HydrophobicContact CB-CB 4.01Å; L419-A438 HydrophobicContact CD1-CB 4.4Å; L420-A438 HydrophobicContact CD2-CB 3.83Å; L420-A438 HydrophobicContact CG-CB 3.97Å; S434-A438 WeakPolarHBondContact O-CB 3.44Å; S434-A438 PolarHBondContact O-N 3.43Å; K435-A438 PolarHBondContact O-N 2.86Å; D436-A438 VanDerWaalsContact C-N 3.3Å; D436-A438 PolarHBondContact O-N 3.3Å; A438-L441 PolarHBondContact O-N 3.21Å; A438-V442 VanDerWaalsContact O-CG2 3.3Å; A438-V442 WeakPolarHBondContact O-CG2 3.33Å; A438-V442 PolarHBondContact O-N 3.13Å |
| 439 | L | 92.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.8 | -72.5 | 171.8 | 0 | 0 | 0 | 111.7 | K435 D436 T443 F468 V473 D491 | K435-L439 HydrophobicContact CG-CD1 4.31Å; K435-L439 WeakPolarHBondContact O-CG 3.49Å; K435-L439 PolarHBondContact O-N 3.33Å; D436-L439 PolarHBondContact O-N 3.05Å; D436-L439 VanDerWaalsContact O-N 3.15Å; L439-T443 WeakPolarHBondContact O-CB 3.48Å; L439-T443 PolarHBondContact O-N 3.15Å; L439-T443 PolarHBondContact O-OG1 3.06Å; L439-F468 HydrophobicContact CD2-CE1 3.72Å; L439-F468 HydrophobicContact CD2-CZ 4Å; L439-V473 HydrophobicContact CD2-CG2 3.96Å; L439-D491 HydrophobicContact CB-CB 4.43Å; L439-D491 HydrophobicContact CD1-CB 3.57Å |
| 440 | L | 90.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 21.5 Ų | 21.5 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 177 | -176 | 61.9 | 0 | 0 | 0 | 111.8 | M359 D436 A437 T443 S444 | M359-L440 HydrophobicContact CB-CD2 4.36Å; M359-L440 HydrophobicContact CE-CB 4.04Å; M359-L440 HydrophobicContact CE-CD2 3.73Å; M359-L440 HydrophobicContact CE-CG 3.52Å; D436-L440 PolarHBondContact O-N 3.09Å; A437-L440 PolarHBondContact O-N 3.38Å; L440-T443 PolarHBondContact O-N 3.35Å; L440-S444 WeakPolarHBondContact O-CB 3.41Å; L440-S444 PolarHBondContact O-N 2.68Å; L440-S444 PolarHBondContact O-OG 3.14Å |
| 441 | L | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 179.1 | -173.7 | 60.2 | 0 | 0 | 0 | 111.8 | L356 M359 V397 F412 I416 A437 A438 T443 S444 V445 | L356-L441 HydrophobicContact CD2-CD2 4.14Å; M359-L441 HydrophobicContact CE-CB 4.02Å; M359-L441 HydrophobicContact CE-CD1 4.07Å; M359-L441 HydrophobicContact SD-CD1 3.91Å; V397-L441 HydrophobicContact CG1-CD1 4.34Å; V397-L441 HydrophobicContact CG2-CD1 4.03Å; F412-L441 HydrophobicContact CB-CD2 4.19Å; F412-L441 HydrophobicContact CB-CG 4.4Å; F412-L441 HydrophobicContact CD1-CD1 3.63Å; F412-L441 HydrophobicContact CD1-CD2 3.72Å; F412-L441 HydrophobicContact CD1-CG 4.14Å; F412-L441 HydrophobicContact CD2-CD1 4.43Å; F412-L441 HydrophobicContact CE1-CD1 3.81Å; F412-L441 HydrophobicContact CE1-CD2 4.48Å; F412-L441 HydrophobicContact CG-CD1 3.97Å; F412-L441 HydrophobicContact CG-CD2 4.23Å; F412-L441 HydrophobicContact CG-CG 4.35Å; F412-L441 HydrophobicContact CZ-CD1 4.29Å; I416-L441 HydrophobicContact CD1-CD2 4.22Å; I416-L441 HydrophobicContact CD1-CG 4.15Å; I416-L441 HydrophobicContact CG1-CB 4.34Å; I416-L441 HydrophobicContact CG1-CD2 3.69Å; I416-L441 HydrophobicContact CG1-CG 4.04Å; A437-L441 WeakPolarHBondContact O-CB 3.44Å; A437-L441 PolarHBondContact O-N 3.02Å; A438-L441 PolarHBondContact O-N 3.21Å; L441-T443 VanDerWaalsContact C-N 3.31Å; L441-T443 PolarHBondContact O-N 3.17Å; L441-S444 PolarHBondContact O-N 3.14Å; L441-V445 HydrophobicContact CD1-CG2 4.05Å; L441-V445 HydrophobicContact CG-CG2 4.27Å; L441-V445 WeakPolarHBondContact O-CB 3.47Å; L441-V445 VanDerWaalsContact O-CG2 3.28Å; L441-V445 WeakPolarHBondContact O-CG2 3.38Å; L441-V445 PolarHBondContact O-N 2.88Å |
| 442 | V | 91.7 | Very high | 88 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | I416 A438 S444 V445 A446 V463 F468 Y495 | I416-V442 HydrophobicContact CD1-CG2 3.5Å; I416-V442 HydrophobicContact CG1-CG2 3.93Å; I416-V442 HydrophobicContact CG2-CG2 3.76Å; A438-V442 VanDerWaalsContact O-CG2 3.3Å; A438-V442 WeakPolarHBondContact O-CG2 3.33Å; A438-V442 PolarHBondContact O-N 3.13Å; V442-S444 VanDerWaalsContact C-N 3.28Å; V442-S444 PolarHBondContact O-N 3.33Å; V442-V445 PolarHBondContact O-N 2.91Å; V442-A446 VanDerWaalsContact O-CB 3.22Å; V442-A446 WeakPolarHBondContact O-CB 3.5Å; V442-A446 PolarHBondContact O-N 3.41Å; V442-V463 HydrophobicContact CG1-CG1 4.25Å; V442-F468 HydrophobicContact CB-CE1 4.35Å; V442-F468 HydrophobicContact CB-CE2 4.43Å; V442-F468 HydrophobicContact CB-CZ 4.11Å; V442-F468 HydrophobicContact CG1-CD1 4.13Å; V442-F468 HydrophobicContact CG1-CD2 4.42Å; V442-F468 HydrophobicContact CG1-CE1 4.03Å; V442-F468 HydrophobicContact CG1-CE2 4.34Å; V442-F468 HydrophobicContact CG1-CG 4.33Å; V442-F468 HydrophobicContact CG1-CZ 4.15Å; V442-F468 HydrophobicContact CG2-CD2 4.29Å; V442-F468 HydrophobicContact CG2-CE1 4.37Å; V442-F468 HydrophobicContact CG2-CE2 3.62Å; V442-F468 HydrophobicContact CG2-CZ 3.67Å; V442-Y495 HydrophobicContact CG1-CE2 4.01Å |
| 443 | T | 89.2 | Confident | 87 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | L439 L440 L441 S447 A498 F499 | L439-T443 WeakPolarHBondContact O-CB 3.48Å; L439-T443 PolarHBondContact O-N 3.15Å; L439-T443 PolarHBondContact O-OG1 3.06Å; L440-T443 PolarHBondContact O-N 3.35Å; L441-T443 VanDerWaalsContact C-N 3.31Å; L441-T443 PolarHBondContact O-N 3.17Å; T443-S447 WeakPolarHBondContact O-CB 3.44Å; T443-S447 PolarHBondContact O-N 3.01Å; T443-A498 HydrophobicContact CG2-CB 4.37Å; T443-F499 HydrophobicContact CG2-CE2 3.95Å; T443-F499 HydrophobicContact CG2-CZ 4.27Å |
| 444 | S | 88.2 | Confident | 86.3 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.2 | -42.9 | 179.2 | -55 | 0 | 0 | 0 | 0 | 112.6 | C394 H398 L440 L441 V442 | C394-S444 PolarHBondContact SG-OG 3.22Å; C394-S444 VanDerWaalsContact SG-OG 3.34Å; H398-S444 PolarHBondContact CE1-O 3.47Å; H398-S444 PolarHBondContact ND1-O 2.93Å; L440-S444 WeakPolarHBondContact O-CB 3.41Å; L440-S444 PolarHBondContact O-N 2.68Å; L440-S444 PolarHBondContact O-OG 3.14Å; L441-S444 PolarHBondContact O-N 3.14Å; V442-S444 VanDerWaalsContact C-N 3.28Å; V442-S444 PolarHBondContact O-N 3.33Å |
| 445 | V | 89.7 | Confident | 85.9 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.7 | -42.4 | 179.9 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | V397 V409 F412 L441 V442 R448 V463 | V397-V445 HydrophobicContact CG1-CG2 3.66Å; V409-V445 HydrophobicContact CG1-CG1 4.45Å; V409-V445 HydrophobicContact CG2-CG1 4.04Å; F412-V445 HydrophobicContact CB-CG2 3.89Å; F412-V445 HydrophobicContact CD2-CG2 3.57Å; F412-V445 HydrophobicContact CE2-CG2 4.31Å; F412-V445 HydrophobicContact CG-CG2 3.93Å; L441-V445 HydrophobicContact CD1-CG2 4.05Å; L441-V445 HydrophobicContact CG-CG2 4.27Å; L441-V445 WeakPolarHBondContact O-CB 3.47Å; L441-V445 VanDerWaalsContact O-CG2 3.28Å; L441-V445 WeakPolarHBondContact O-CG2 3.38Å; L441-V445 PolarHBondContact O-N 2.88Å; V442-V445 PolarHBondContact O-N 2.91Å; V445-R448 PolarHBondContact O-NH1 3.03Å; V445-V463 HydrophobicContact CG1-CG2 4.4Å |
| 446 | A | 87.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -79.5 | -31.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | V442 R448 S459 T460 V463 L465 F499 | V442-A446 VanDerWaalsContact O-CB 3.22Å; V442-A446 WeakPolarHBondContact O-CB 3.5Å; V442-A446 PolarHBondContact O-N 3.41Å; A446-R448 PolarHBondContact O-N 2.86Å; A446-S459 CarbonylContact O-C 3.12Å; A446-S459 WeakPolarHBondContact O-CA 3.43Å; A446-S459 WeakPolarHBondContact O-CB 3.38Å; A446-T460 HydrophobicContact CB-CG2 4.39Å; A446-T460 PolarHBondContact O-N 2.93Å; A446-T460 VanDerWaalsContact O-N 3.09Å; A446-V463 HydrophobicContact CB-CB 4.4Å; A446-V463 HydrophobicContact CB-CG1 4.48Å; A446-L465 HydrophobicContact CB-CD2 3.74Å; A446-F499 HydrophobicContact CB-CE1 4.15Å; A446-F499 HydrophobicContact CB-CZ 3.95Å |
| 447 | S | 85.1 | Confident | 85.1 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.7 | -178.4 | 169.4 | 0 | 0 | 0 | 0 | 112 | H398 T443 | H398-S447 PolarHBondContact ND1-O 3.01Å; T443-S447 WeakPolarHBondContact O-CB 3.44Å; T443-S447 PolarHBondContact O-N 3.01Å |
| 448 | R | 80.4 | Confident | 84.7 | Confident | 79 Ų | 79 | 39.4 Ų | 39.4 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -36.2 | 174 | -67.9 | -73.8 | -179.3 | -93.8 | -5.4 | 112.8 | E405 V445 A446 V458 | E405-R448 IonicContact OE1-CZ 2.87Å; E405-R448 IonicContact OE1-NE 3.76Å; E405-R448 IonicContact OE1-NH2 3.89Å; E405-R448 PolarHBondContact OE1-NH2 3.32Å; V445-R448 PolarHBondContact O-NH1 3.03Å; A446-R448 PolarHBondContact O-N 2.86Å; R448-V458 HydrophobicContact CB-CB 4.22Å; R448-V458 HydrophobicContact CB-CG1 3.96Å; R448-V458 WeakPolarHBondContact CB-O 3.4Å; R448-V458 PolarHBondContact N-O 3.02Å |
| 449 | G | 78.8 | Confident | 84.3 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 139 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | V456 T457 V458 | G449-V456 CarbonylContact O-C 3.51Å; G449-V456 WeakPolarHBondContact O-CA 3.33Å; G449-T457 PolarHBondContact O-N 3.02Å; G449-T457 PolarHBondContact O-OG1 2.98Å; G449-V458 PolarHBondContact N-O 3.37Å; G449-V458 PolarHBondContact O-N 2.84Å |
| 450 | K | 80.8 | Confident | 83.8 | Confident | 124 Ų | 124 | 41.5 Ų | 41.5 | 54% | 0.539 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.4 | 179.3 | 66.8 | -177.3 | 179.3 | -175.2 | 0 | 111.7 | G455 V456 | K450-G455 CarbonylContact C-O 3.5Å; K450-G455 WeakPolarHBondContact CA-O 3.43Å; K450-V456 HydrophobicContact CB-CG2 4.39Å |
| 451 | T | 77.8 | Confident | 83.2 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 39% | 0.393 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.1 | 168.1 | 63.7 | 0 | 0 | 0 | 0 | 108.4 | K453 H454 G455 T457 | T451-K453 VanDerWaalsContact C-N 3.27Å; T451-K453 PolarHBondContact O-N 3.19Å; T451-H454 PolarHBondContact O-N 3.44Å; T451-H454 WeakPolarHBondContact OG1-CB 3.23Å; T451-H454 PolarHBondContact OG1-N 3.15Å; T451-H454 VanDerWaalsContact OG1-N 3.13Å; T451-H454 PolarHBondContact OG1-ND1 3.39Å; T451-G455 PolarHBondContact N-O 3.08Å; T451-G455 CarbonylContact O-C 3.56Å; T451-G455 VanDerWaalsContact O-CA 3.27Å; T451-G455 WeakPolarHBondContact O-CA 3.49Å; T451-G455 PolarHBondContact O-N 2.94Å; T451-T457 HydrophobicContact CG2-CG2 4.4Å |
| 452 | E | 72.2 | Confident | 82.3 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 59% | 0.589 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -40.9 | 177.1 | 177.1 | 161 | -156 | 0 | 0 | 112.3 | R500 | E452-R500 PolarHBondContact O-NH2 3.05Š|
| 453 | K | 72 | Confident | 81.7 | Confident | 145 Ų | 145 | 56.7 Ų | 56.7 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -46.6 | -179.6 | -174 | 175.1 | 174.4 | -178 | 0 | 112.9 | T451 R500 | T451-K453 VanDerWaalsContact C-N 3.27Å; T451-K453 PolarHBondContact O-N 3.19Å; K453-R500 VanDerWaalsContact C-NH2 3.29Å; K453-R500 PolarHBondContact O-NH2 3.26Å |
| 454 | H | 77.4 | Confident | 81.6 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -5.1 | -172.4 | -53.2 | 103.1 | 0 | 0 | 0 | 114.4 | T451 T457 S501 | T451-H454 PolarHBondContact O-N 3.44Å; T451-H454 WeakPolarHBondContact OG1-CB 3.23Å; T451-H454 PolarHBondContact OG1-N 3.15Å; T451-H454 VanDerWaalsContact OG1-N 3.13Å; T451-H454 PolarHBondContact OG1-ND1 3.39Å; H454-T457 HydrophobicContact CB-CG2 3.75Å; H454-S501 WeakPolarHBondContact O-CB 3.2Å; H454-S501 PolarHBondContact O-OG 3.03Å |
| 455 | G | 84.2 | Confident | 81.7 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.4 | -148.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K450 T451 T457 R500 | K450-G455 CarbonylContact C-O 3.5Å; K450-G455 WeakPolarHBondContact CA-O 3.43Å; T451-G455 PolarHBondContact N-O 3.08Å; T451-G455 CarbonylContact O-C 3.56Å; T451-G455 VanDerWaalsContact O-CA 3.27Å; T451-G455 WeakPolarHBondContact O-CA 3.49Å; T451-G455 PolarHBondContact O-N 2.94Å; G455-T457 PolarHBondContact O-N 3.31Å; G455-R500 VanDerWaalsContact N-NH2 3.16Å |
| 456 | V | 87 | Confident | 81.7 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 117.2 | 174 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | G449 K450 V458 A498 F499 S501 L502 | G449-V456 CarbonylContact O-C 3.51Å; G449-V456 WeakPolarHBondContact O-CA 3.33Å; K450-V456 HydrophobicContact CB-CG2 4.39Å; V456-V458 VanDerWaalsContact CG1-O 3.25Å; V456-V458 WeakPolarHBondContact CG1-O 3.46Å; V456-A498 PolarHBondContact N-O 3.26Å; V456-F499 HydrophobicContact CB-CD1 3.85Å; V456-F499 HydrophobicContact CB-CE1 4.01Å; V456-F499 HydrophobicContact CG1-CD1 4.05Å; V456-F499 HydrophobicContact CG1-CE1 3.88Å; V456-F499 HydrophobicContact CG2-CD1 4.04Å; V456-F499 HydrophobicContact CG2-CE1 3.89Å; V456-F499 HydrophobicContact CG2-CZ 4.49Å; V456-S501 PolarHBondContact O-OG 3.28Å; V456-L502 HydrophobicContact CG1-CD1 4.11Å |
| 457 | T | 85.7 | Confident | 81.9 | Confident | 60 Ų | 60 | 65 Ų | 65 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -20.2 | 179.5 | 52 | 0 | 0 | 0 | 0 | 112.8 | G449 T451 H454 G455 | G449-T457 PolarHBondContact O-N 3.02Å; G449-T457 PolarHBondContact O-OG1 2.98Å; T451-T457 HydrophobicContact CG2-CG2 4.4Å; H454-T457 HydrophobicContact CB-CG2 3.75Å; G455-T457 PolarHBondContact O-N 3.31Å |
| 458 | V | 83.2 | Confident | 82.3 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.2 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | R448 G449 V456 | R448-V458 HydrophobicContact CB-CB 4.22Å; R448-V458 HydrophobicContact CB-CG1 3.96Å; R448-V458 WeakPolarHBondContact CB-O 3.4Å; R448-V458 PolarHBondContact N-O 3.02Å; G449-V458 PolarHBondContact N-O 3.37Å; G449-V458 PolarHBondContact O-N 2.84Å; V456-V458 VanDerWaalsContact CG1-O 3.25Å; V456-V458 WeakPolarHBondContact CG1-O 3.46Å |
| 459 | S | 85 | Confident | 83 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 161.1 | 175 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | A446 | A446-S459 CarbonylContact O-C 3.12Å; A446-S459 WeakPolarHBondContact O-CA 3.43Å; A446-S459 WeakPolarHBondContact O-CB 3.38Å |
| 460 | T | 81.7 | Confident | 83.8 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.043 | 34% | 0.338 | C | S | . | . | trans | -65.8 | 143.5 | 167.3 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | E405 A446 L462 V463 | E405-T460 PolarHBondContact OE1-OG1 3.06Å; A446-T460 HydrophobicContact CB-CG2 4.39Å; A446-T460 PolarHBondContact O-N 2.93Å; A446-T460 VanDerWaalsContact O-N 3.09Å; T460-L462 HydrophobicContact CG2-CB 4.33Å; T460-L462 PolarHBondContact O-N 2.74Å; T460-L462 PolarHBondContact OG1-N 3.01Å; T460-V463 HydrophobicContact CG2-CB 4.06Å; T460-V463 HydrophobicContact CG2-CG2 3.78Å | ||
| 461 | E | 77.7 | Confident | 84.5 | Confident | 197 Ų | 197 | 64.3 Ų | 64.3 | 92% | 0.921 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.6 | 174.2 | -63.4 | -175.2 | 172.7 | 0 | 0 | 112.3 | V463 | E461-V463 PolarHBondContact O-N 3.41Š|
| 462 | L | 74 | Confident | 85.2 | Confident | 106 Ų | 106 | 63.6 Ų | 63.6 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.5 | -176 | -62 | 172.8 | 0 | 0 | 0 | 113.7 | E405 V409 T460 | E405-L462 HydrophobicContact CG-CD1 3.95Å; V409-L462 HydrophobicContact CB-CD1 3.88Å; V409-L462 HydrophobicContact CG1-CB 3.76Å; V409-L462 HydrophobicContact CG1-CD1 3.69Å; V409-L462 HydrophobicContact CG1-CG 4.37Å; V409-L462 HydrophobicContact CG2-CD1 3.97Å; T460-L462 HydrophobicContact CG2-CB 4.33Å; T460-L462 PolarHBondContact O-N 2.74Å; T460-L462 PolarHBondContact OG1-N 3.01Å |
| 463 | V | 79.1 | Confident | 86.4 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -123.6 | 114.6 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | V442 V445 A446 T460 E461 L465 | V442-V463 HydrophobicContact CG1-CG1 4.25Å; V445-V463 HydrophobicContact CG1-CG2 4.4Å; A446-V463 HydrophobicContact CB-CB 4.4Å; A446-V463 HydrophobicContact CB-CG1 4.48Å; T460-V463 HydrophobicContact CG2-CB 4.06Å; T460-V463 HydrophobicContact CG2-CG2 3.78Å; E461-V463 PolarHBondContact O-N 3.41Å; V463-L465 HydrophobicContact CG1-CD2 4.04Å; V463-L465 PolarHBondContact O-N 2.97Å |
| 464 | N | 86.5 | Confident | 87.5 | Confident | 101 Ų | 101 | 52.4 Ų | 52.4 | 54% | 0.54 | 28% | 0.28 | S | S | . | . | trans | -77.4 | 92.8 | 174.4 | -172.5 | -28.6 | 0 | 0 | 0 | 110.6 | T466 T467 F468 | N464-T466 VanDerWaalsContact C-N 3.32Å; N464-T466 PolarHBondContact O-N 2.95Å; N464-T466 PolarHBondContact OD1-N 3.02Å; N464-T467 VanDerWaalsContact CG-OG1 3.27Å; N464-T467 PolarHBondContact ND2-OG1 3.39Å; N464-T467 VanDerWaalsContact ND2-OG1 3.15Å; N464-T467 PolarHBondContact O-N 3.29Å; N464-T467 PolarHBondContact OD1-N 3.1Å; N464-T467 PolarHBondContact OD1-OG1 3.3Å; N464-F468 WeakPolarHBondContact O-CB 3.48Å; N464-F468 PolarHBondContact O-N 3.25Å | ||
| 465 | L | 89.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -32.6 | -176 | -66.4 | 175.3 | 0 | 0 | 0 | 113.9 | A446 V463 F469 Y495 F499 L502 | A446-L465 HydrophobicContact CB-CD2 3.74Å; V463-L465 HydrophobicContact CG1-CD2 4.04Å; V463-L465 PolarHBondContact O-N 2.97Å; L465-F469 VanDerWaalsContact O-CB 3.26Å; L465-F469 WeakPolarHBondContact O-CB 3.48Å; L465-F469 PolarHBondContact O-N 3.17Å; L465-Y495 VanDerWaalsContact CD2-OH 3.3Å; L465-Y495 WeakPolarHBondContact CD2-OH 3.4Å; L465-Y495 PolarHBondContact O-OH 2.94Å; L465-F499 HydrophobicContact CD1-CD1 3.58Å; L465-F499 HydrophobicContact CD1-CE1 3.72Å; L465-F499 HydrophobicContact CD1-CG 4.32Å; L465-F499 HydrophobicContact CD2-CD1 4.28Å; L465-F499 HydrophobicContact CD2-CE1 4Å; L465-F499 HydrophobicContact CD2-CE2 4.38Å; L465-F499 HydrophobicContact CD2-CZ 4.06Å; L465-L502 HydrophobicContact CD1-CD1 3.72Å |
| 466 | T | 90 | Very high | 88.8 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.6 | -49.5 | 178.8 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | N464 F468 F469 E470 P504 | N464-T466 VanDerWaalsContact C-N 3.32Å; N464-T466 PolarHBondContact O-N 2.95Å; N464-T466 PolarHBondContact OD1-N 3.02Å; T466-F468 VanDerWaalsContact C-N 3.32Å; T466-F468 PolarHBondContact O-N 3.07Å; T466-F469 WeakPolarHBondContact O-CB 3.46Å; T466-F469 PolarHBondContact O-N 3.35Å; T466-E470 WeakPolarHBondContact O-CG 3.3Å; T466-E470 PolarHBondContact O-N 3.34Å; T466-P504 HydrophobicContact CG2-CG 3.87Å |
| 467 | T | 92.3 | Very high | 89.2 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | N464 E470 N471 | N464-T467 VanDerWaalsContact CG-OG1 3.27Å; N464-T467 PolarHBondContact ND2-OG1 3.39Å; N464-T467 VanDerWaalsContact ND2-OG1 3.15Å; N464-T467 PolarHBondContact O-N 3.29Å; N464-T467 PolarHBondContact OD1-N 3.1Å; N464-T467 PolarHBondContact OD1-OG1 3.3Å; T467-E470 PolarHBondContact O-N 3.04Å; T467-N471 WeakPolarHBondContact CG2-ND2 3.39Å; T467-N471 WeakPolarHBondContact O-CB 3.21Å; T467-N471 VanDerWaalsContact O-CG 3.32Å; T467-N471 PolarHBondContact O-N 2.87Å; T467-N471 PolarHBondContact O-ND2 3.26Å |
| 468 | F | 93.9 | Very high | 89.7 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175 | -172.9 | -87.7 | 0 | 0 | 0 | 111.7 | I416 L420 L439 V442 N464 T466 N471 H472 V473 Y495 | I416-F468 HydrophobicContact CG2-CE2 4.39Å; L420-F468 HydrophobicContact CD1-CE2 3.99Å; L439-F468 HydrophobicContact CD2-CE1 3.72Å; L439-F468 HydrophobicContact CD2-CZ 4Å; V442-F468 HydrophobicContact CB-CE1 4.35Å; V442-F468 HydrophobicContact CB-CE2 4.43Å; V442-F468 HydrophobicContact CB-CZ 4.11Å; V442-F468 HydrophobicContact CG1-CD1 4.13Å; V442-F468 HydrophobicContact CG1-CD2 4.42Å; V442-F468 HydrophobicContact CG1-CE1 4.03Å; V442-F468 HydrophobicContact CG1-CE2 4.34Å; V442-F468 HydrophobicContact CG1-CG 4.33Å; V442-F468 HydrophobicContact CG1-CZ 4.15Å; V442-F468 HydrophobicContact CG2-CD2 4.29Å; V442-F468 HydrophobicContact CG2-CE1 4.37Å; V442-F468 HydrophobicContact CG2-CE2 3.62Å; V442-F468 HydrophobicContact CG2-CZ 3.67Å; N464-F468 WeakPolarHBondContact O-CB 3.48Å; N464-F468 PolarHBondContact O-N 3.25Å; T466-F468 VanDerWaalsContact C-N 3.32Å; T466-F468 PolarHBondContact O-N 3.07Å; F468-N471 PolarHBondContact O-N 3.11Å; F468-H472 AromaticContact CD2-CD2 3.67Å; F468-H472 HydrophobicContact CE1-CB 4.26Å; F468-H472 HydrophobicContact CE2-CB 4.39Å; F468-H472 AromaticContact CE2-CD2 3.68Å; F468-H472 HydrophobicContact CZ-CB 4.15Å; F468-H472 WeakPolarHBondContact O-CB 3.27Å; F468-H472 PolarHBondContact O-N 3.39Å; F468-V473 HydrophobicContact CD1-CG2 4.27Å; F468-V473 HydrophobicContact CE1-CG2 4.11Å; F468-Y495 AromaticContact CD1-CE2 3.76Å; F468-Y495 HydrophobicContact CD1-CE2 3.76Å; F468-Y495 AromaticContact CD1-CZ 3.76Å; F468-Y495 HydrophobicContact CE1-CD2 4.4Å; F468-Y495 AromaticContact CE1-CE2 3.92Å; F468-Y495 HydrophobicContact CE1-CE2 3.92Å |
| 469 | F | 95 | Very high | 90.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -58.8 | -49.7 | 175.6 | 174.2 | -98 | 0 | 0 | 0 | 111.6 | L465 T466 N471 V473 L474 Y495 A496 L503 A507 L511 | L465-F469 VanDerWaalsContact O-CB 3.26Å; L465-F469 WeakPolarHBondContact O-CB 3.48Å; L465-F469 PolarHBondContact O-N 3.17Å; T466-F469 WeakPolarHBondContact O-CB 3.46Å; T466-F469 PolarHBondContact O-N 3.35Å; F469-N471 PolarHBondContact O-N 3.25Å; F469-V473 HydrophobicContact CD2-CB 3.73Å; F469-V473 HydrophobicContact CD2-CG1 3.66Å; F469-V473 HydrophobicContact CD2-CG2 4.41Å; F469-V473 HydrophobicContact CE2-CB 4.19Å; F469-V473 HydrophobicContact CE2-CG1 3.71Å; F469-V473 HydrophobicContact CG-CB 4.43Å; F469-V473 WeakPolarHBondContact O-CB 3.46Å; F469-V473 PolarHBondContact O-N 3.05Å; F469-L474 HydrophobicContact CD1-CB 4.45Å; F469-L474 HydrophobicContact CE1-CB 4.04Å; F469-L474 HydrophobicContact CE1-CD1 4.24Å; F469-L474 HydrophobicContact CE1-CD2 4.38Å; F469-L474 HydrophobicContact CE1-CG 4.46Å; F469-L474 HydrophobicContact CZ-CB 4.21Å; F469-L474 HydrophobicContact CZ-CD1 4.14Å; F469-L474 WeakPolarHBondContact O-CB 3.44Å; F469-L474 PolarHBondContact O-N 2.76Å; F469-Y495 HydrophobicContact CB-CE1 4.05Å; F469-Y495 HydrophobicContact CD2-CD1 4.2Å; F469-Y495 HydrophobicContact CD2-CE1 4.09Å; F469-A496 HydrophobicContact CE2-CB 4.45Å; F469-L503 HydrophobicContact CB-CD2 3.9Å; F469-L503 HydrophobicContact CD1-CD2 4.18Å; F469-L503 HydrophobicContact CD2-CD1 4.11Å; F469-L503 HydrophobicContact CD2-CD2 4.25Å; F469-L503 HydrophobicContact CE2-CD1 4.14Å; F469-L503 HydrophobicContact CG-CD1 4.43Å; F469-L503 HydrophobicContact CG-CD2 3.83Å; F469-L503 HydrophobicContact CZ-CD1 4.47Å; F469-A507 HydrophobicContact CE1-CB 4.19Å; F469-L511 HydrophobicContact CE2-CD1 3.99Å; F469-L511 HydrophobicContact CE2-CD2 4.22Å; F469-L511 HydrophobicContact CE2-CG 4.48Å; F469-L511 HydrophobicContact CZ-CD1 3.67Å; F469-L511 HydrophobicContact CZ-CD2 3.82Å; F469-L511 HydrophobicContact CZ-CG 3.84Å |
| 470 | E | 94.9 | Very high | 90.4 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -62.5 | -39.5 | -179 | -72 | 171.8 | 171.9 | 0 | 0 | 112.9 | T466 T467 P475 | T466-E470 WeakPolarHBondContact O-CG 3.3Å; T466-E470 PolarHBondContact O-N 3.34Å; T467-E470 PolarHBondContact O-N 3.04Å; E470-P475 WeakPolarHBondContact O-CD 3.4Å |
| 471 | N | 94.5 | Very high | 90.9 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -86.4 | -30.3 | -174.9 | -70 | -17.3 | 0 | 0 | 0 | 114.1 | T467 F468 F469 | T467-N471 WeakPolarHBondContact CG2-ND2 3.39Å; T467-N471 WeakPolarHBondContact O-CB 3.21Å; T467-N471 VanDerWaalsContact O-CG 3.32Å; T467-N471 PolarHBondContact O-N 2.87Å; T467-N471 PolarHBondContact O-ND2 3.26Å; F468-N471 PolarHBondContact O-N 3.11Å; F469-N471 PolarHBondContact O-N 3.25Å |
| 472 | H | 94.5 | Very high | 91.7 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -125.9 | -19.4 | -166.5 | -63 | -54 | 0 | 0 | 0 | 115.4 | K435 F468 | K435-H472 WeakPolarHBondContact CE-O 3.41Å; K435-H472 PolarHBondContact NZ-O 3.16Å; F468-H472 AromaticContact CD2-CD2 3.67Å; F468-H472 HydrophobicContact CE1-CB 4.26Å; F468-H472 HydrophobicContact CE2-CB 4.39Å; F468-H472 AromaticContact CE2-CD2 3.68Å; F468-H472 HydrophobicContact CZ-CB 4.15Å; F468-H472 WeakPolarHBondContact O-CB 3.27Å; F468-H472 PolarHBondContact O-N 3.39Å |
| 473 | V | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -107.7 | -52.7 | -177.3 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | L439 F468 F469 P475 E476 L477 C492 Y495 | L439-V473 HydrophobicContact CD2-CG2 3.96Å; F468-V473 HydrophobicContact CD1-CG2 4.27Å; F468-V473 HydrophobicContact CE1-CG2 4.11Å; F469-V473 HydrophobicContact CD2-CB 3.73Å; F469-V473 HydrophobicContact CD2-CG1 3.66Å; F469-V473 HydrophobicContact CD2-CG2 4.41Å; F469-V473 HydrophobicContact CE2-CB 4.19Å; F469-V473 HydrophobicContact CE2-CG1 3.71Å; F469-V473 HydrophobicContact CG-CB 4.43Å; F469-V473 WeakPolarHBondContact O-CB 3.46Å; F469-V473 PolarHBondContact O-N 3.05Å; V473-P475 VanDerWaalsContact C-CD 3.5Å; V473-E476 PolarHBondContact O-N 3.42Å; V473-L477 HydrophobicContact CG1-CD1 4.14Å; V473-L477 PolarHBondContact O-N 2.92Å; V473-C492 HydrophobicContact CG1-CB 3.72Å; V473-C492 WeakPolarHBondContact CG1-O 3.31Å; V473-Y495 HydrophobicContact CG1-CD1 4.28Å; V473-Y495 HydrophobicContact CG2-CD1 3.83Å; V473-Y495 HydrophobicContact CG2-CE1 4.17Å; V473-Y495 HydrophobicContact CG2-CG 4.03Å |
| 474 | L | 95.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -42.7 | -177.4 | -176.5 | 63 | 0 | 0 | 0 | 113.5 | F469 E476 L477 Q478 M514 | F469-L474 HydrophobicContact CD1-CB 4.45Å; F469-L474 HydrophobicContact CE1-CB 4.04Å; F469-L474 HydrophobicContact CE1-CD1 4.24Å; F469-L474 HydrophobicContact CE1-CD2 4.38Å; F469-L474 HydrophobicContact CE1-CG 4.46Å; F469-L474 HydrophobicContact CZ-CB 4.21Å; F469-L474 HydrophobicContact CZ-CD1 4.14Å; F469-L474 WeakPolarHBondContact O-CB 3.44Å; F469-L474 PolarHBondContact O-N 2.76Å; L474-E476 VanDerWaalsContact C-N 3.32Å; L474-E476 PolarHBondContact O-N 2.93Å; L474-L477 PolarHBondContact O-N 3.33Å; L474-Q478 HydrophobicContact CD1-CG 4.11Å; L474-Q478 HydrophobicContact CG-CG 4.37Å; L474-Q478 WeakPolarHBondContact O-CB 3.33Å; L474-Q478 WeakPolarHBondContact O-CG 3.26Å; L474-Q478 PolarHBondContact O-N 3Å; L474-M514 HydrophobicContact CD1-CE 3.74Å |
| 475 | P | 94.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 179.5 | -24.3 | 36.5 | 0 | 0 | 0 | 113.1 | E470 V473 Q478 S479 | E470-P475 WeakPolarHBondContact O-CD 3.4Å; V473-P475 VanDerWaalsContact C-CD 3.5Å; P475-Q478 PolarHBondContact O-N 3.45Å; P475-S479 PolarHBondContact O-N 3.28Å; P475-S479 VanDerWaalsContact O-N 3.09Å |
| 476 | E | 94.8 | Very high | 94 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 177.7 | -58.9 | -58.8 | 159.5 | 0 | 0 | 111 | Y423 V473 L474 Q478 S479 I488 K489 | Y423-E476 PolarHBondContact OH-OE1 3.21Å; V473-E476 PolarHBondContact O-N 3.42Å; L474-E476 VanDerWaalsContact C-N 3.32Å; L474-E476 PolarHBondContact O-N 2.93Å; E476-Q478 VanDerWaalsContact C-N 3.34Å; E476-S479 WeakPolarHBondContact O-CB 3.29Å; E476-S479 PolarHBondContact O-N 3.15Å; E476-I488 HydrophobicContact CB-CG2 4.44Å; E476-I488 HydrophobicContact CG-CG2 4.03Å; E476-K489 PolarHBondContact O-NZ 2.95Å |
| 477 | L | 95.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 176 | -63 | -178.9 | 0 | 0 | 0 | 111.7 | V473 L474 S479 K489 C492 L493 L511 L518 | V473-L477 HydrophobicContact CG1-CD1 4.14Å; V473-L477 PolarHBondContact O-N 2.92Å; L474-L477 PolarHBondContact O-N 3.33Å; L477-S479 VanDerWaalsContact C-N 3.29Å; L477-S479 PolarHBondContact O-N 2.91Å; L477-K489 HydrophobicContact CD2-CD 3.86Å; L477-K489 HydrophobicContact CD2-CG 4.4Å; L477-K489 PolarHBondContact O-NZ 3.05Å; L477-K489 VanDerWaalsContact O-NZ 3.14Å; L477-C492 HydrophobicContact CD1-CB 4.44Å; L477-C492 HydrophobicContact CD2-CB 3.62Å; L477-C492 HydrophobicContact CG-CB 3.91Å; L477-L493 HydrophobicContact CD2-CD2 4.02Å; L477-L493 HydrophobicContact CD2-CG 3.92Å; L477-L511 HydrophobicContact CD1-CD2 3.58Å; L477-L518 WeakPolarHBondContact O-CD2 3.49Å |
| 478 | Q | 95 | Very high | 94.3 | Very high | 113 Ų | 113 | 48.3 Ų | 48.3 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -78.1 | -6.2 | 178.5 | -73.2 | 179.4 | -26 | 0 | 0 | 114.8 | L474 P475 E476 M514 | L474-Q478 HydrophobicContact CD1-CG 4.11Å; L474-Q478 HydrophobicContact CG-CG 4.37Å; L474-Q478 WeakPolarHBondContact O-CB 3.33Å; L474-Q478 WeakPolarHBondContact O-CG 3.26Å; L474-Q478 PolarHBondContact O-N 3Å; P475-Q478 PolarHBondContact O-N 3.45Å; E476-Q478 VanDerWaalsContact C-N 3.34Å; Q478-M514 HydrophobicContact CG-CE 4.46Å; Q478-M514 HydrophobicContact CG-SD 3.53Å; Q478-M514 VanDerWaalsContact CG-SD 3.53Å |
| 479 | S | 92 | Very high | 94.4 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | trans | -52.1 | 126.6 | 178.9 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | P475 E476 L477 N481 | P475-S479 PolarHBondContact O-N 3.28Å; P475-S479 VanDerWaalsContact O-N 3.09Å; E476-S479 WeakPolarHBondContact O-CB 3.29Å; E476-S479 PolarHBondContact O-N 3.15Å; L477-S479 VanDerWaalsContact C-N 3.29Å; L477-S479 PolarHBondContact O-N 2.91Å; S479-N481 PolarHBondContact O-N 3.01Å; S479-N481 PolarHBondContact OG-O 3.15Å | ||
| 480 | P | 90.8 | Very high | 94.5 | Very high | 134 Ų | 134 | 47.4 Ų | 47.4 | 87% | 0.87 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -57.9 | -30.3 | 179.9 | -25.4 | 33.3 | 0 | 0 | 0 | 113.5 | V482 | P480-V482 PolarHBondContact O-N 2.79Š|
| 481 | N | 93.7 | Very high | 94.4 | Very high | 85 Ų | 85 | 42.7 Ų | 42.7 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | trans | -91.5 | 98.5 | 172.7 | -176.3 | 1.6 | 0 | 0 | 0 | 109.5 | S479 N483 Y484 | S479-N481 PolarHBondContact O-N 3.01Å; S479-N481 PolarHBondContact OG-O 3.15Å; N481-N483 PolarHBondContact O-N 3.44Å; N481-N483 PolarHBondContact OD1-N 2.96Å; N481-N483 VanDerWaalsContact OD1-N 3.09Å; N481-Y484 WeakPolarHBondContact O-CB 3.48Å; N481-Y484 PolarHBondContact O-N 3.37Å; N481-Y484 VanDerWaalsContact O-N 3.1Å; N481-Y484 PolarHBondContact OD1-N 2.95Å | ||
| 482 | V | 93.4 | Very high | 94.5 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.2 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | P480 K489 V517 L518 A521 | P480-V482 PolarHBondContact O-N 2.79Å; V482-K489 VanDerWaalsContact O-CE 3.31Å; V482-K489 WeakPolarHBondContact O-CE 3.42Å; V482-V517 HydrophobicContact CG2-CG1 3.7Å; V482-L518 HydrophobicContact CG1-CD2 4.45Å; V482-A521 HydrophobicContact CG1-CB 3.66Å |
| 483 | N | 94.6 | Very high | 94.6 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.1 | -178.1 | -60.6 | -42.5 | 0 | 0 | 0 | 113.2 | N481 L485 A521 S522 | N481-N483 PolarHBondContact O-N 3.44Å; N481-N483 PolarHBondContact OD1-N 2.96Å; N481-N483 VanDerWaalsContact OD1-N 3.09Å; N483-L485 PolarHBondContact O-N 3.31Å; N483-A521 WeakPolarHBondContact OD1-CA 3.41Å; N483-S522 PolarHBondContact OD1-N 3.46Å; N483-S522 PolarHBondContact OD1-OG 2.88Å |
| 484 | Y | 93.6 | Very high | 94.5 | Very high | 81 Ų | 81 | 37.4 Ų | 37.4 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -72.3 | 120.7 | 174 | -175.9 | -112.5 | 0 | 0 | 0 | 109.7 | N428 G429 N481 | N428-Y484 PolarHBondContact O-OH 3.38Å; G429-Y484 PolarHBondContact N-OH 2.77Å; N481-Y484 WeakPolarHBondContact O-CB 3.48Å; N481-Y484 PolarHBondContact O-N 3.37Å; N481-Y484 VanDerWaalsContact O-N 3.1Å; N481-Y484 PolarHBondContact OD1-N 2.95Å |
| 485 | L | 93.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 50.1 | 68.1 | 179.8 | -57.6 | 176.9 | 0 | 0 | 0 | 113 | Y423 W432 N483 V487 I488 K489 | Y423-L485 HydrophobicContact CE2-CD1 4.19Å; W432-L485 HydrophobicContact CB-CD1 4.18Å; W432-L485 HydrophobicContact CB-CD2 4.14Å; W432-L485 HydrophobicContact CG-CD2 4.26Å; N483-L485 PolarHBondContact O-N 3.31Å; L485-V487 PolarHBondContact O-N 3.26Å; L485-V487 VanDerWaalsContact O-N 3.16Å; L485-I488 HydrophobicContact CB-CB 4.07Å; L485-I488 HydrophobicContact CB-CG1 4.07Å; L485-I488 HydrophobicContact CD1-CG1 4.39Å; L485-I488 PolarHBondContact O-N 3.08Å; L485-K489 PolarHBondContact O-N 3.37Å |
| 486 | P | 94.7 | Very high | 94.4 | Very high | 44 Ų | 44 | 32.8 Ų | 32.8 | 29% | 0.286 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.7 | -31.1 | -173 | 24.6 | -34.7 | 0 | 0 | 0 | 113.5 | F369 K489 A490 A523 V526 | F369-P486 HydrophobicContact CE1-CB 4.07Å; F369-P486 HydrophobicContact CE1-CG 4.24Å; F369-P486 HydrophobicContact CZ-CB 4.1Å; P486-K489 PolarHBondContact O-N 3.23Å; P486-A490 PolarHBondContact O-N 3.43Å; P486-A523 HydrophobicContact CB-CB 3.97Å; P486-V526 HydrophobicContact CB-CG2 4Å; P486-V526 VanDerWaalsContact O-CG2 3.3Å; P486-V526 WeakPolarHBondContact O-CG2 3.46Å |
| 487 | V | 94.7 | Very high | 94.3 | Very high | 12 Ų | 12 | 32 Ų | 32 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -49.8 | 174.8 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | F361 F369 W432 L485 K489 A490 D491 | F361-V487 HydrophobicContact CD2-CG1 3.92Å; F361-V487 HydrophobicContact CE2-CG1 3.51Å; F361-V487 HydrophobicContact CZ-CG1 3.84Å; F361-V487 HydrophobicContact CZ-CG2 4.24Å; F369-V487 HydrophobicContact CD1-CG2 4.16Å; F369-V487 HydrophobicContact CD2-CG2 4.17Å; F369-V487 HydrophobicContact CE1-CG2 4.11Å; F369-V487 HydrophobicContact CE2-CG2 4.09Å; F369-V487 HydrophobicContact CG-CG2 4.21Å; F369-V487 HydrophobicContact CZ-CG2 4.08Å; W432-V487 HydrophobicContact CE3-CB 4.38Å; W432-V487 HydrophobicContact CE3-CG1 4.34Å; W432-V487 HydrophobicContact CH2-CG1 4.43Å; W432-V487 HydrophobicContact CH2-CG2 4.39Å; W432-V487 HydrophobicContact CZ3-CB 3.97Å; W432-V487 HydrophobicContact CZ3-CG1 3.69Å; W432-V487 HydrophobicContact CZ3-CG2 4.31Å; L485-V487 PolarHBondContact O-N 3.26Å; L485-V487 VanDerWaalsContact O-N 3.16Å; V487-K489 VanDerWaalsContact C-N 3.28Å; V487-K489 PolarHBondContact O-N 3.06Å; V487-A490 CarbonylContact O-C 2.91Å; V487-A490 WeakPolarHBondContact O-CA 3.31Å; V487-A490 WeakPolarHBondContact O-CB 3.23Å; V487-A490 PolarHBondContact O-N 3.38Å; V487-D491 PolarHBondContact O-N 3.31Å |
| 488 | I | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 177.1 | -59.2 | -54 | 0 | 0 | 0 | 111.6 | W432 K435 D436 E476 L485 A490 D491 C492 | W432-I488 HydrophobicContact CB-CD1 4.25Å; W432-I488 HydrophobicContact CB-CG1 3.99Å; W432-I488 HydrophobicContact CE3-CD1 4.12Å; W432-I488 HydrophobicContact CE3-CG1 4.47Å; W432-I488 WeakPolarHBondContact O-CD1 3.49Å; K435-I488 HydrophobicContact CB-CD1 3.97Å; K435-I488 HydrophobicContact CG-CD1 4.03Å; K435-I488 HydrophobicContact CG-CG2 4.17Å; D436-I488 HydrophobicContact CB-CD1 4Å; E476-I488 HydrophobicContact CB-CG2 4.44Å; E476-I488 HydrophobicContact CG-CG2 4.03Å; L485-I488 HydrophobicContact CB-CB 4.07Å; L485-I488 HydrophobicContact CB-CG1 4.07Å; L485-I488 HydrophobicContact CD1-CG1 4.39Å; L485-I488 PolarHBondContact O-N 3.08Å; I488-A490 VanDerWaalsContact C-N 3.32Å; I488-A490 PolarHBondContact O-N 2.95Å; I488-D491 PolarHBondContact O-N 3.5Å; I488-C492 WeakPolarHBondContact O-CB 3.48Å; I488-C492 PolarHBondContact O-N 2.92Å; I488-C492 PolarHBondContact O-SG 2.92Å |
| 489 | K | 96.1 | Very high | 94 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 173.2 | -165.3 | 80.9 | 93.4 | 174.3 | 0 | 110.6 | E476 L477 V482 L485 P486 V487 C492 L493 L518 V526 | E476-K489 PolarHBondContact O-NZ 2.95Å; L477-K489 HydrophobicContact CD2-CD 3.86Å; L477-K489 HydrophobicContact CD2-CG 4.4Å; L477-K489 PolarHBondContact O-NZ 3.05Å; L477-K489 VanDerWaalsContact O-NZ 3.14Å; V482-K489 VanDerWaalsContact O-CE 3.31Å; V482-K489 WeakPolarHBondContact O-CE 3.42Å; L485-K489 PolarHBondContact O-N 3.37Å; P486-K489 PolarHBondContact O-N 3.23Å; V487-K489 VanDerWaalsContact C-N 3.28Å; V487-K489 PolarHBondContact O-N 3.06Å; K489-C492 PolarHBondContact O-N 2.86Å; K489-L493 VanDerWaalsContact O-CG 3.29Å; K489-L493 WeakPolarHBondContact O-CG 3.2Å; K489-L493 PolarHBondContact O-N 3.16Å; K489-L493 VanDerWaalsContact O-N 3.07Å; K489-L518 HydrophobicContact CD-CD2 3.94Å; K489-V526 HydrophobicContact CB-CG2 4.34Å; K489-V526 HydrophobicContact CG-CG1 3.92Å |
| 490 | A | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F369 P486 V487 I488 C492 L493 R494 V525 V526 Y529 | F369-A490 HydrophobicContact CE2-CB 3.97Å; F369-A490 HydrophobicContact CZ-CB 4.43Å; P486-A490 PolarHBondContact O-N 3.43Å; V487-A490 CarbonylContact O-C 2.91Å; V487-A490 WeakPolarHBondContact O-CA 3.31Å; V487-A490 WeakPolarHBondContact O-CB 3.23Å; V487-A490 PolarHBondContact O-N 3.38Å; I488-A490 VanDerWaalsContact C-N 3.32Å; I488-A490 PolarHBondContact O-N 2.95Å; A490-C492 VanDerWaalsContact C-N 3.35Å; A490-C492 PolarHBondContact O-N 3.43Å; A490-L493 WeakPolarHBondContact O-CB 3.16Å; A490-L493 PolarHBondContact O-N 3.15Å; A490-R494 WeakPolarHBondContact O-CB 3.46Å; A490-R494 PolarHBondContact O-N 3.34Å; A490-V525 HydrophobicContact CB-CG1 4.27Å; A490-V526 HydrophobicContact CB-CG2 4.45Å; A490-Y529 HydrophobicContact CB-CD2 4.46Å |
| 491 | D | 94.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 176 | -71.4 | -43.6 | 0 | 0 | 0 | 112.8 | D436 L439 V487 I488 L493 R494 Y495 | D436-D491 WeakPolarHBondContact CB-OD2 3.46Å; D436-D491 VanDerWaalsContact OD1-OD2 3.13Å; L439-D491 HydrophobicContact CB-CB 4.43Å; L439-D491 HydrophobicContact CD1-CB 3.57Å; V487-D491 PolarHBondContact O-N 3.31Å; I488-D491 PolarHBondContact O-N 3.5Å; D491-L493 VanDerWaalsContact C-N 3.33Å; D491-L493 PolarHBondContact O-N 2.87Å; D491-R494 WeakPolarHBondContact O-CB 3.35Å; D491-R494 PolarHBondContact O-N 2.98Å; D491-R494 IonicContact OD1-CZ 2.69Å; D491-R494 IonicContact OD1-NE 2.94Å; D491-R494 IonicContact OD1-NH2 3.45Å; D491-R494 PolarHBondContact OD1-NH2 2.89Å; D491-Y495 PolarHBondContact O-N 3.37Å |
| 492 | C | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 176 | -71 | 0 | 0 | 0 | 0 | 111.6 | V473 L477 I488 K489 A490 A496 | V473-C492 HydrophobicContact CG1-CB 3.72Å; V473-C492 WeakPolarHBondContact CG1-O 3.31Å; L477-C492 HydrophobicContact CD1-CB 4.44Å; L477-C492 HydrophobicContact CD2-CB 3.62Å; L477-C492 HydrophobicContact CG-CB 3.91Å; I488-C492 WeakPolarHBondContact O-CB 3.48Å; I488-C492 PolarHBondContact O-N 2.92Å; I488-C492 PolarHBondContact O-SG 2.92Å; K489-C492 PolarHBondContact O-N 2.86Å; A490-C492 VanDerWaalsContact C-N 3.35Å; A490-C492 PolarHBondContact O-N 3.43Å; C492-A496 WeakPolarHBondContact O-CB 3.42Å; C492-A496 PolarHBondContact O-N 2.87Å |
| 493 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 173.6 | -69.2 | 164.4 | 0 | 0 | 0 | 111.5 | L477 K489 A490 D491 Y495 A496 I497 L518 V526 Y529 V530 L533 | L477-L493 HydrophobicContact CD2-CD2 4.02Å; L477-L493 HydrophobicContact CD2-CG 3.92Å; K489-L493 VanDerWaalsContact O-CG 3.29Å; K489-L493 WeakPolarHBondContact O-CG 3.2Å; K489-L493 PolarHBondContact O-N 3.16Å; K489-L493 VanDerWaalsContact O-N 3.07Å; A490-L493 WeakPolarHBondContact O-CB 3.16Å; A490-L493 PolarHBondContact O-N 3.15Å; D491-L493 VanDerWaalsContact C-N 3.33Å; D491-L493 PolarHBondContact O-N 2.87Å; L493-Y495 PolarHBondContact O-N 2.98Å; L493-A496 PolarHBondContact O-N 3.29Å; L493-I497 VanDerWaalsContact O-CG1 3.27Å; L493-I497 WeakPolarHBondContact O-CG1 3.49Å; L493-I497 PolarHBondContact O-N 3.39Å; L493-L518 HydrophobicContact CD2-CD1 4.24Å; L493-V526 HydrophobicContact CD1-CG1 4.01Å; L493-Y529 HydrophobicContact CB-CD1 4.03Å; L493-Y529 HydrophobicContact CB-CG 4.39Å; L493-V530 HydrophobicContact CD1-CG2 3.54Å; L493-V530 HydrophobicContact CD2-CG2 4.04Å; L493-V530 HydrophobicContact CG-CG2 4.46Å; L493-L533 HydrophobicContact CD2-CD2 3.74Å |
| 494 | R | 93.2 | Very high | 93.8 | Very high | 36 Ų | 36 | 20.4 Ų | 20.4 | 14% | 0.136 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 175.4 | -172 | 171.7 | 58.6 | 160.4 | -7.3 | 111.6 | D380 A490 D491 I497 A498 Y529 | D380-R494 IonicContact OD1-CZ 2.99Å; D380-R494 IonicContact OD1-NH1 3.94Å; D380-R494 PolarHBondContact OD1-NH1 3.38Å; D380-R494 VanDerWaalsContact OD2-CD 3.3Å; D380-R494 WeakPolarHBondContact OD2-CD 3.48Å; D380-R494 IonicContact OD2-CZ 3.64Å; D380-R494 IonicContact OD2-NE 3.56Å; D380-R494 IonicContact OD2-NH1 3.05Å; A490-R494 WeakPolarHBondContact O-CB 3.46Å; A490-R494 PolarHBondContact O-N 3.34Å; D491-R494 WeakPolarHBondContact O-CB 3.35Å; D491-R494 PolarHBondContact O-N 2.98Å; D491-R494 IonicContact OD1-CZ 2.69Å; D491-R494 IonicContact OD1-NE 2.94Å; D491-R494 IonicContact OD1-NH2 3.45Å; D491-R494 PolarHBondContact OD1-NH2 2.89Å; R494-I497 PolarHBondContact O-N 3.35Å; R494-A498 WeakPolarHBondContact O-CB 3.43Å; R494-A498 PolarHBondContact O-N 2.88Å; R494-Y529 HydrophobicContact CB-CD1 4.18Å; R494-Y529 HydrophobicContact CB-CE1 3.55Å; R494-Y529 HydrophobicContact CG-CE1 3.97Å |
| 495 | Y | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.7 | -49.1 | 174.4 | -178.7 | -80 | 0 | 0 | 0 | 111.1 | V442 L465 F468 F469 V473 D491 L493 I497 A498 F499 | V442-Y495 HydrophobicContact CG1-CE2 4.01Å; L465-Y495 VanDerWaalsContact CD2-OH 3.3Å; L465-Y495 WeakPolarHBondContact CD2-OH 3.4Å; L465-Y495 PolarHBondContact O-OH 2.94Å; F468-Y495 AromaticContact CD1-CE2 3.76Å; F468-Y495 HydrophobicContact CD1-CE2 3.76Å; F468-Y495 AromaticContact CD1-CZ 3.76Å; F468-Y495 HydrophobicContact CE1-CD2 4.4Å; F468-Y495 AromaticContact CE1-CE2 3.92Å; F468-Y495 HydrophobicContact CE1-CE2 3.92Å; F469-Y495 HydrophobicContact CB-CE1 4.05Å; F469-Y495 HydrophobicContact CD2-CD1 4.2Å; F469-Y495 HydrophobicContact CD2-CE1 4.09Å; V473-Y495 HydrophobicContact CG1-CD1 4.28Å; V473-Y495 HydrophobicContact CG2-CD1 3.83Å; V473-Y495 HydrophobicContact CG2-CE1 4.17Å; V473-Y495 HydrophobicContact CG2-CG 4.03Å; D491-Y495 PolarHBondContact O-N 3.37Å; L493-Y495 PolarHBondContact O-N 2.98Å; Y495-I497 VanDerWaalsContact C-N 3.32Å; Y495-I497 PolarHBondContact O-N 3.48Å; Y495-A498 PolarHBondContact O-N 3.33Å; Y495-A498 VanDerWaalsContact O-N 3.16Å; Y495-F499 HydrophobicContact CD1-CD2 4.02Å; Y495-F499 AromaticContact CD2-CD2 3.69Å; Y495-F499 HydrophobicContact CD2-CD2 3.69Å; Y495-F499 AromaticContact CD2-CE2 3.69Å; Y495-F499 HydrophobicContact CD2-CE2 3.69Å; Y495-F499 HydrophobicContact CE1-CB 4.43Å; Y495-F499 AromaticContact CE1-CD2 3.84Å; Y495-F499 HydrophobicContact CE1-CD2 3.84Å; Y495-F499 HydrophobicContact CE1-CG 4.48Å; Y495-F499 AromaticContact CE2-CD2 3.51Å; Y495-F499 HydrophobicContact CE2-CD2 3.51Å; Y495-F499 AromaticContact CE2-CE2 3.47Å; Y495-F499 HydrophobicContact CE2-CE2 3.47Å; Y495-F499 VanDerWaalsContact CE2-CE2 3.47Å; Y495-F499 AromaticContact CG-CD2 3.95Å; Y495-F499 HydrophobicContact CG-CD2 3.95Å; Y495-F499 HydrophobicContact CG-CE2 4.38Å; Y495-F499 AromaticContact CZ-CD2 3.6Å; Y495-F499 AromaticContact CZ-CE2 3.98Å; Y495-F499 PolarHBondContact O-N 3.03Å |
| 496 | A | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F469 C492 L493 R500 L511 L533 | F469-A496 HydrophobicContact CE2-CB 4.45Å; C492-A496 WeakPolarHBondContact O-CB 3.42Å; C492-A496 PolarHBondContact O-N 2.87Å; L493-A496 PolarHBondContact O-N 3.29Å; A496-R500 WeakPolarHBondContact O-CA 3.36Å; A496-R500 WeakPolarHBondContact O-CB 3.39Å; A496-R500 PolarHBondContact O-N 3.45Å; A496-R500 VanDerWaalsContact O-N 3.13Å; A496-L511 HydrophobicContact CB-CD1 4.16Å; A496-L533 HydrophobicContact CB-CD1 4.08Å |
| 497 | I | 93.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 21.9 Ų | 21.9 | 8% | 0.077 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -49.7 | 173.1 | -67.9 | 164.1 | 0 | 0 | 0 | 109.9 | L493 R494 Y495 F499 R500 Y529 L533 | L493-I497 VanDerWaalsContact O-CG1 3.27Å; L493-I497 WeakPolarHBondContact O-CG1 3.49Å; L493-I497 PolarHBondContact O-N 3.39Å; R494-I497 PolarHBondContact O-N 3.35Å; Y495-I497 VanDerWaalsContact C-N 3.32Å; Y495-I497 PolarHBondContact O-N 3.48Å; I497-F499 PolarHBondContact O-N 3.16Å; I497-R500 WeakPolarHBondContact O-CD 3.49Å; I497-R500 WeakPolarHBondContact O-CG 3.37Å; I497-R500 PolarHBondContact O-NH1 2.95Å; I497-Y529 HydrophobicContact CD1-CD1 3.96Å; I497-Y529 HydrophobicContact CD1-CE1 4.48Å; I497-L533 HydrophobicContact CD1-CB 4.3Å; I497-L533 HydrophobicContact CG1-CB 3.96Å; I497-L533 HydrophobicContact CG1-CD1 3.81Å |
| 498 | A | 91 | Very high | 93.6 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 17% | 0.174 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T443 V456 R494 Y495 | T443-A498 HydrophobicContact CG2-CB 4.37Å; V456-A498 PolarHBondContact N-O 3.26Å; R494-A498 WeakPolarHBondContact O-CB 3.43Å; R494-A498 PolarHBondContact O-N 2.88Å; Y495-A498 PolarHBondContact O-N 3.33Å; Y495-A498 VanDerWaalsContact O-N 3.16Å |
| 499 | F | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -99.7 | 11 | -173.3 | -65.7 | -71.3 | 0 | 0 | 0 | 114.8 | T443 A446 V456 L465 Y495 I497 S501 L502 L503 | T443-F499 HydrophobicContact CG2-CE2 3.95Å; T443-F499 HydrophobicContact CG2-CZ 4.27Å; A446-F499 HydrophobicContact CB-CE1 4.15Å; A446-F499 HydrophobicContact CB-CZ 3.95Å; V456-F499 HydrophobicContact CB-CD1 3.85Å; V456-F499 HydrophobicContact CB-CE1 4.01Å; V456-F499 HydrophobicContact CG1-CD1 4.05Å; V456-F499 HydrophobicContact CG1-CE1 3.88Å; V456-F499 HydrophobicContact CG2-CD1 4.04Å; V456-F499 HydrophobicContact CG2-CE1 3.89Å; V456-F499 HydrophobicContact CG2-CZ 4.49Å; L465-F499 HydrophobicContact CD1-CD1 3.58Å; L465-F499 HydrophobicContact CD1-CE1 3.72Å; L465-F499 HydrophobicContact CD1-CG 4.32Å; L465-F499 HydrophobicContact CD2-CD1 4.28Å; L465-F499 HydrophobicContact CD2-CE1 4Å; L465-F499 HydrophobicContact CD2-CE2 4.38Å; L465-F499 HydrophobicContact CD2-CZ 4.06Å; Y495-F499 HydrophobicContact CD1-CD2 4.02Å; Y495-F499 AromaticContact CD2-CD2 3.69Å; Y495-F499 HydrophobicContact CD2-CD2 3.69Å; Y495-F499 AromaticContact CD2-CE2 3.69Å; Y495-F499 HydrophobicContact CD2-CE2 3.69Å; Y495-F499 HydrophobicContact CE1-CB 4.43Å; Y495-F499 AromaticContact CE1-CD2 3.84Å; Y495-F499 HydrophobicContact CE1-CD2 3.84Å; Y495-F499 HydrophobicContact CE1-CG 4.48Å; Y495-F499 AromaticContact CE2-CD2 3.51Å; Y495-F499 HydrophobicContact CE2-CD2 3.51Å; Y495-F499 AromaticContact CE2-CE2 3.47Å; Y495-F499 HydrophobicContact CE2-CE2 3.47Å; Y495-F499 VanDerWaalsContact CE2-CE2 3.47Å; Y495-F499 AromaticContact CG-CD2 3.95Å; Y495-F499 HydrophobicContact CG-CD2 3.95Å; Y495-F499 HydrophobicContact CG-CE2 4.38Å; Y495-F499 AromaticContact CZ-CD2 3.6Å; Y495-F499 AromaticContact CZ-CE2 3.98Å; Y495-F499 PolarHBondContact O-N 3.03Å; I497-F499 PolarHBondContact O-N 3.16Å; F499-S501 PolarHBondContact O-N 3.5Å; F499-L502 HydrophobicContact CD1-CD1 4.19Å; F499-L502 PolarHBondContact O-N 3.46Å; F499-L503 PolarHBondContact O-N 2.89Å |
| 500 | R | 92.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -32.5 | -175.4 | 64.9 | -169.7 | -177.4 | -90.1 | 4.5 | 115.7 | E452 K453 G455 A496 I497 L502 L508 L537 M540 | E452-R500 PolarHBondContact O-NH2 3.05Å; K453-R500 VanDerWaalsContact C-NH2 3.29Å; K453-R500 PolarHBondContact O-NH2 3.26Å; G455-R500 VanDerWaalsContact N-NH2 3.16Å; A496-R500 WeakPolarHBondContact O-CA 3.36Å; A496-R500 WeakPolarHBondContact O-CB 3.39Å; A496-R500 PolarHBondContact O-N 3.45Å; A496-R500 VanDerWaalsContact O-N 3.13Å; I497-R500 WeakPolarHBondContact O-CD 3.49Å; I497-R500 WeakPolarHBondContact O-CG 3.37Å; I497-R500 PolarHBondContact O-NH1 2.95Å; R500-L502 VanDerWaalsContact C-N 3.34Å; R500-L508 WeakPolarHBondContact O-CD1 3.5Å; R500-L537 HydrophobicContact CB-CD2 3.98Å; R500-M540 HydrophobicContact CB-SD 4Å; R500-M540 HydrophobicContact CG-CE 4.46Å; R500-M540 HydrophobicContact CG-SD 3.88Å; R500-M540 WeakPolarHBondContact O-CE 3.2Å |
| 501 | S | 90.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 26.5 Ų | 26.5 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.6 | 178.9 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | H454 V456 F499 | H454-S501 WeakPolarHBondContact O-CB 3.2Å; H454-S501 PolarHBondContact O-OG 3.03Å; V456-S501 PolarHBondContact O-OG 3.28Å; F499-S501 PolarHBondContact O-N 3.5Å |
| 502 | L | 91.2 | Very high | 93.8 | Very high | 59 Ų | 59 | 26.5 Ų | 26.5 | 31% | 0.309 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -9.1 | 178 | -55.5 | -175.7 | 0 | 0 | 0 | 112.9 | V456 L465 F499 R500 | V456-L502 HydrophobicContact CG1-CD1 4.11Å; L465-L502 HydrophobicContact CD1-CD1 3.72Å; F499-L502 HydrophobicContact CD1-CD1 4.19Å; F499-L502 PolarHBondContact O-N 3.46Å; R500-L502 VanDerWaalsContact C-N 3.34Å |
| 503 | L | 92.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -82.1 | 144 | 176 | -65.3 | 176.8 | 0 | 0 | 0 | 111.2 | F469 F499 L508 L511 | F469-L503 HydrophobicContact CB-CD2 3.9Å; F469-L503 HydrophobicContact CD1-CD2 4.18Å; F469-L503 HydrophobicContact CD2-CD1 4.11Å; F469-L503 HydrophobicContact CD2-CD2 4.25Å; F469-L503 HydrophobicContact CE2-CD1 4.14Å; F469-L503 HydrophobicContact CG-CD1 4.43Å; F469-L503 HydrophobicContact CG-CD2 3.83Å; F469-L503 HydrophobicContact CZ-CD1 4.47Å; F499-L503 PolarHBondContact O-N 2.89Å; L503-L508 HydrophobicContact CB-CD2 3.75Å; L503-L508 HydrophobicContact CB-CG 4.37Å; L503-L508 HydrophobicContact CD1-CD2 4.1Å; L503-L511 HydrophobicContact CD1-CD1 4.17Å |
| 504 | P | 92.1 | Very high | 93.8 | Very high | 60 Ų | 60 | 30.3 Ų | 30.3 | 39% | 0.39 | 18% | 0.178 | S | C | . | . | trans | -58.6 | 144 | 175.9 | -23 | 32.7 | 0 | 0 | 0 | 112.3 | T466 V506 A507 L508 | T466-P504 HydrophobicContact CG2-CG 3.87Å; P504-V506 PolarHBondContact O-N 3.29Å; P504-V506 VanDerWaalsContact O-N 3.09Å; P504-A507 WeakPolarHBondContact O-CA 3.19Å; P504-A507 WeakPolarHBondContact O-CB 3.21Å; P504-A507 PolarHBondContact O-N 3.1Å; P504-L508 PolarHBondContact O-N 3.37Å | ||
| 505 | S | 91.3 | Very high | 94 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.1 | -33.9 | -177 | -52.5 | 0 | 0 | 0 | 0 | 113.8 | A507 L508 I509 | S505-A507 VanDerWaalsContact C-N 3.34Å; S505-A507 PolarHBondContact O-N 3.02Å; S505-L508 PolarHBondContact O-N 3.24Å; S505-I509 WeakPolarHBondContact O-CG1 3.45Å; S505-I509 PolarHBondContact O-N 2.78Å |
| 506 | V | 93.6 | Very high | 94.1 | Very high | 101 Ų | 101 | 29 Ų | 29 | 61% | 0.612 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -63.2 | -40.2 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | P504 L508 I509 N510 | P504-V506 PolarHBondContact O-N 3.29Å; P504-V506 VanDerWaalsContact O-N 3.09Å; V506-L508 VanDerWaalsContact C-N 3.33Å; V506-L508 PolarHBondContact O-N 3.12Å; V506-I509 PolarHBondContact O-N 3.25Å; V506-N510 VanDerWaalsContact O-CG 3.26Å; V506-N510 PolarHBondContact O-N 3.47Å; V506-N510 PolarHBondContact O-ND2 2.94Å |
| 507 | A | 94.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 33.1 Ų | 33.1 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F469 P504 S505 N510 L511 | F469-A507 HydrophobicContact CE1-CB 4.19Å; P504-A507 WeakPolarHBondContact O-CA 3.19Å; P504-A507 WeakPolarHBondContact O-CB 3.21Å; P504-A507 PolarHBondContact O-N 3.1Å; S505-A507 VanDerWaalsContact C-N 3.34Å; S505-A507 PolarHBondContact O-N 3.02Å; A507-N510 PolarHBondContact O-N 3.36Å; A507-L511 WeakPolarHBondContact O-CB 3.37Å; A507-L511 WeakPolarHBondContact O-CG 3.39Å; A507-L511 PolarHBondContact O-N 3.15Å |
| 508 | L | 95 | Very high | 94.4 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 177 | -57 | -177.1 | 0 | 0 | 0 | 112.5 | R500 L503 P504 S505 V506 L511 L512 L537 M540 V550 I551 | R500-L508 WeakPolarHBondContact O-CD1 3.5Å; L503-L508 HydrophobicContact CB-CD2 3.75Å; L503-L508 HydrophobicContact CB-CG 4.37Å; L503-L508 HydrophobicContact CD1-CD2 4.1Å; P504-L508 PolarHBondContact O-N 3.37Å; S505-L508 PolarHBondContact O-N 3.24Å; V506-L508 VanDerWaalsContact C-N 3.33Å; V506-L508 PolarHBondContact O-N 3.12Å; L508-L511 HydrophobicContact CD2-CD1 4.42Å; L508-L511 PolarHBondContact O-N 3.39Å; L508-L512 PolarHBondContact O-N 3.26Å; L508-L537 HydrophobicContact CB-CD2 4.47Å; L508-L537 HydrophobicContact CD2-CD2 3.83Å; L508-M540 HydrophobicContact CD1-CE 3.98Å; L508-M540 HydrophobicContact CD1-SD 4.16Å; L508-V550 HydrophobicContact CD1-CG1 3.98Å; L508-I551 HydrophobicContact CB-CD1 4.16Å |
| 509 | I | 96.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 175.6 | -67.6 | 164.2 | 0 | 0 | 0 | 110.1 | S505 V506 L512 N513 I551 Q555 | S505-I509 WeakPolarHBondContact O-CG1 3.45Å; S505-I509 PolarHBondContact O-N 2.78Å; V506-I509 PolarHBondContact O-N 3.25Å; I509-L512 PolarHBondContact O-N 2.9Å; I509-N513 PolarHBondContact O-N 3.49Å; I509-N513 PolarHBondContact O-ND2 3.03Å; I509-I551 HydrophobicContact CG1-CG1 4.23Å; I509-I551 HydrophobicContact CG1-CG2 4.26Å; I509-Q555 HydrophobicContact CD1-CB 4.44Å; I509-Q555 HydrophobicContact CD1-CG 4.17Å; I509-Q555 HydrophobicContact CG1-CB 4.39Å; I509-Q555 HydrophobicContact CG2-CB 4.13Å |
| 510 | N | 95.7 | Very high | 94.7 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 47% | 0.465 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.5 | -70.2 | -15.6 | 0 | 0 | 0 | 111.6 | V506 A507 L512 N513 M514 | V506-N510 VanDerWaalsContact O-CG 3.26Å; V506-N510 PolarHBondContact O-N 3.47Å; V506-N510 PolarHBondContact O-ND2 2.94Å; A507-N510 PolarHBondContact O-N 3.36Å; N510-L512 PolarHBondContact O-N 3.43Å; N510-N513 PolarHBondContact O-N 3.03Å; N510-M514 WeakPolarHBondContact O-CG 3.37Å; N510-M514 PolarHBondContact O-N 3.27Å; N510-M514 VanDerWaalsContact O-N 3.14Å |
| 511 | L | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.5 | -49.9 | 174.8 | -82.5 | 172.3 | 0 | 0 | 0 | 111.6 | F469 L477 A496 L503 A507 L508 N513 M514 T515 L537 | F469-L511 HydrophobicContact CE2-CD1 3.99Å; F469-L511 HydrophobicContact CE2-CD2 4.22Å; F469-L511 HydrophobicContact CE2-CG 4.48Å; F469-L511 HydrophobicContact CZ-CD1 3.67Å; F469-L511 HydrophobicContact CZ-CD2 3.82Å; F469-L511 HydrophobicContact CZ-CG 3.84Å; L477-L511 HydrophobicContact CD1-CD2 3.58Å; A496-L511 HydrophobicContact CB-CD1 4.16Å; L503-L511 HydrophobicContact CD1-CD1 4.17Å; A507-L511 WeakPolarHBondContact O-CB 3.37Å; A507-L511 WeakPolarHBondContact O-CG 3.39Å; A507-L511 PolarHBondContact O-N 3.15Å; L508-L511 HydrophobicContact CD2-CD1 4.42Å; L508-L511 PolarHBondContact O-N 3.39Å; L511-N513 VanDerWaalsContact C-N 3.34Å; L511-N513 PolarHBondContact O-N 3.09Å; L511-M514 HydrophobicContact CD2-CE 3.93Å; L511-M514 HydrophobicContact CG-CE 4.46Å; L511-M514 PolarHBondContact O-N 3.01Å; L511-T515 WeakPolarHBondContact O-CG2 3.31Å; L511-T515 PolarHBondContact O-N 3.49Å; L511-L537 HydrophobicContact CB-CD1 4.23Å |
| 512 | L | 97 | Very high | 94.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 179.6 | -178.9 | 66.8 | 0 | 0 | 0 | 111.5 | L508 I509 N510 M514 T515 I534 L537 L538 I551 V556 | L508-L512 PolarHBondContact O-N 3.26Å; I509-L512 PolarHBondContact O-N 2.9Å; N510-L512 PolarHBondContact O-N 3.43Å; L512-M514 PolarHBondContact O-N 3.25Å; L512-T515 WeakPolarHBondContact O-CB 3.4Å; L512-T515 WeakPolarHBondContact O-CG2 3.47Å; L512-T515 PolarHBondContact O-N 3.41Å; L512-T515 VanDerWaalsContact O-N 3.13Å; L512-T515 PolarHBondContact O-OG1 3.4Å; L512-I534 HydrophobicContact CD1-CG1 4.35Å; L512-I534 HydrophobicContact CD1-CG2 4.4Å; L512-L537 HydrophobicContact CB-CD1 4.3Å; L512-L538 HydrophobicContact CD1-CD2 4.41Å; L512-L538 HydrophobicContact CD1-CG 4.21Å; L512-L538 HydrophobicContact CD2-CD2 3.65Å; L512-L538 HydrophobicContact CD2-CG 4.34Å; L512-I551 HydrophobicContact CB-CD1 4.15Å; L512-I551 HydrophobicContact CD2-CD1 3.97Å; L512-I551 HydrophobicContact CD2-CG2 3.74Å; L512-V556 HydrophobicContact CD2-CG2 3.86Å |
| 513 | N | 97.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 23% | 0.225 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.8 | -14.4 | -177.8 | -73 | -41.2 | 0 | 0 | 0 | 113.9 | I509 N510 L511 P516 Q555 S557 | I509-N513 PolarHBondContact O-N 3.49Å; I509-N513 PolarHBondContact O-ND2 3.03Å; N510-N513 PolarHBondContact O-N 3.03Å; L511-N513 VanDerWaalsContact C-N 3.34Å; L511-N513 PolarHBondContact O-N 3.09Å; N513-P516 WeakPolarHBondContact O-CD 3.31Å; N513-Q555 PolarHBondContact ND2-O 3.08Å; N513-Q555 PolarHBondContact OD1-O 3.48Å; N513-S557 PolarHBondContact ND2-OG 2.98Å; N513-S557 PolarHBondContact OD1-N 3.42Å; N513-S557 PolarHBondContact OD1-OG 3.13Å |
| 514 | M | 95.5 | Very high | 94.9 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -85.8 | -16.5 | 171.2 | -68.5 | -177.2 | -61.9 | 0 | 0 | 113.4 | L474 Q478 N510 L511 L512 V517 L518 | L474-M514 HydrophobicContact CD1-CE 3.74Å; Q478-M514 HydrophobicContact CG-CE 4.46Å; Q478-M514 HydrophobicContact CG-SD 3.53Å; Q478-M514 VanDerWaalsContact CG-SD 3.53Å; N510-M514 WeakPolarHBondContact O-CG 3.37Å; N510-M514 PolarHBondContact O-N 3.27Å; N510-M514 VanDerWaalsContact O-N 3.14Å; L511-M514 HydrophobicContact CD2-CE 3.93Å; L511-M514 HydrophobicContact CG-CE 4.46Å; L511-M514 PolarHBondContact O-N 3.01Å; L512-M514 PolarHBondContact O-N 3.25Å; M514-V517 PolarHBondContact O-N 3Å; M514-V517 VanDerWaalsContact O-N 3.15Å; M514-L518 PolarHBondContact O-N 3.34Å |
| 515 | T | 97 | Very high | 95 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -34.8 | -176.2 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | L511 L512 V517 L518 L519 V530 L533 I534 | L511-T515 WeakPolarHBondContact O-CG2 3.31Å; L511-T515 PolarHBondContact O-N 3.49Å; L512-T515 WeakPolarHBondContact O-CB 3.4Å; L512-T515 WeakPolarHBondContact O-CG2 3.47Å; L512-T515 PolarHBondContact O-N 3.41Å; L512-T515 VanDerWaalsContact O-N 3.13Å; L512-T515 PolarHBondContact O-OG1 3.4Å; T515-V517 PolarHBondContact O-N 3.45Å; T515-L518 PolarHBondContact O-N 3.32Å; T515-L518 VanDerWaalsContact O-N 3.12Å; T515-L519 VanDerWaalsContact O-CG 3.31Å; T515-L519 WeakPolarHBondContact O-CG 3.32Å; T515-L519 PolarHBondContact O-N 3.44Å; T515-V530 HydrophobicContact CG2-CG1 3.99Å; T515-L533 HydrophobicContact CG2-CD2 4.43Å; T515-I534 HydrophobicContact CG2-CD1 4.28Å; T515-I534 HydrophobicContact CG2-CG1 3.7Å |
| 516 | P | 96.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -31.8 | 177.7 | -23.2 | 34.4 | 0 | 0 | 0 | 113.9 | N513 L561 L562 R565 | N513-P516 WeakPolarHBondContact O-CD 3.31Å; P516-L561 HydrophobicContact CB-CD2 4.05Å; P516-L561 HydrophobicContact CB-CG 4.06Å; P516-L562 HydrophobicContact CG-CB 4.15Å; P516-L562 HydrophobicContact CG-CD1 4.18Å; P516-R565 HydrophobicContact CB-CG 4.35Å; P516-R565 WeakPolarHBondContact O-CG 3.44Å; P516-R565 PolarHBondContact O-NE 3.03Å |
| 517 | V | 96 | Very high | 95.3 | Very high | 87 Ų | 87 | 25 Ų | 25 | 53% | 0.527 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -76.2 | -43.9 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 110 | V482 M514 T515 L519 T520 | V482-V517 HydrophobicContact CG2-CG1 3.7Å; M514-V517 PolarHBondContact O-N 3Å; M514-V517 VanDerWaalsContact O-N 3.15Å; T515-V517 PolarHBondContact O-N 3.45Å; V517-L519 VanDerWaalsContact C-N 3.28Å; V517-L519 PolarHBondContact O-N 3.22Å; V517-T520 WeakPolarHBondContact O-CB 3.37Å; V517-T520 PolarHBondContact O-N 3.29Å; V517-T520 PolarHBondContact O-OG1 3.4Å |
| 518 | L | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -30.9 | 180 | -63.5 | 173.3 | 0 | 0 | 0 | 113.2 | L477 V482 K489 L493 M514 T515 T520 A521 V530 | L477-L518 WeakPolarHBondContact O-CD2 3.49Å; V482-L518 HydrophobicContact CG1-CD2 4.45Å; K489-L518 HydrophobicContact CD-CD2 3.94Å; L493-L518 HydrophobicContact CD2-CD1 4.24Å; M514-L518 PolarHBondContact O-N 3.34Å; T515-L518 PolarHBondContact O-N 3.32Å; T515-L518 VanDerWaalsContact O-N 3.12Å; L518-T520 PolarHBondContact O-N 2.97Å; L518-T520 VanDerWaalsContact O-N 3.16Å; L518-A521 WeakPolarHBondContact O-CB 3.4Å; L518-A521 PolarHBondContact O-N 3.3Å; L518-A521 VanDerWaalsContact O-N 3.11Å; L518-V530 HydrophobicContact CB-CG1 4.14Å; L518-V530 HydrophobicContact CB-CG2 3.55Å; L518-V530 HydrophobicContact CD1-CG2 4.45Å |
| 519 | L | 95.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13.3 | 173.3 | -73.7 | 172.2 | 0 | 0 | 0 | 113.3 | T515 V517 A521 V530 I534 L562 R565 L566 I569 | T515-L519 VanDerWaalsContact O-CG 3.31Å; T515-L519 WeakPolarHBondContact O-CG 3.32Å; T515-L519 PolarHBondContact O-N 3.44Å; V517-L519 VanDerWaalsContact C-N 3.28Å; V517-L519 PolarHBondContact O-N 3.22Å; L519-A521 PolarHBondContact O-N 3.37Å; L519-V530 HydrophobicContact CD2-CB 3.92Å; L519-V530 HydrophobicContact CD2-CG1 3.62Å; L519-V530 HydrophobicContact CG-CB 4.43Å; L519-V530 HydrophobicContact CG-CG1 3.67Å; L519-I534 HydrophobicContact CD1-CD1 3.98Å; L519-I534 HydrophobicContact CD2-CD1 4.47Å; L519-I534 HydrophobicContact CG-CD1 4.46Å; L519-L562 HydrophobicContact CD1-CD1 3.9Å; L519-R565 HydrophobicContact CB-CB 4.05Å; L519-R565 HydrophobicContact CD1-CB 3.81Å; L519-L566 HydrophobicContact CD1-CD2 3.75Å; L519-L566 HydrophobicContact CD1-CG 3.89Å; L519-L566 HydrophobicContact CD2-CD2 4.03Å; L519-I569 HydrophobicContact CB-CD1 4.15Å; L519-I569 HydrophobicContact CD2-CD1 3.71Å; L519-I569 HydrophobicContact CG-CD1 4.44Å |
| 520 | T | 95 | Very high | 95.3 | Very high | 62 Ų | 62 | 23 Ų | 23 | 38% | 0.38 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 4.9 | 173.6 | 76.5 | 0 | 0 | 0 | 0 | 113.5 | V517 L518 R565 | V517-T520 WeakPolarHBondContact O-CB 3.37Å; V517-T520 PolarHBondContact O-N 3.29Å; V517-T520 PolarHBondContact O-OG1 3.4Å; L518-T520 PolarHBondContact O-N 2.97Å; L518-T520 VanDerWaalsContact O-N 3.16Å; T520-R565 VanDerWaalsContact CG2-CZ 3.47Å |
| 521 | A | 94.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | trans | -57 | 143.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V482 N483 L518 L519 V526 Q527 | V482-A521 HydrophobicContact CG1-CB 3.66Å; N483-A521 WeakPolarHBondContact OD1-CA 3.41Å; L518-A521 WeakPolarHBondContact O-CB 3.4Å; L518-A521 PolarHBondContact O-N 3.3Å; L518-A521 VanDerWaalsContact O-N 3.11Å; L519-A521 PolarHBondContact O-N 3.37Å; A521-V526 HydrophobicContact CB-CB 3.83Å; A521-V526 HydrophobicContact CB-CG1 3.58Å; A521-Q527 HydrophobicContact CB-CG 4.42Å; A521-Q527 PolarHBondContact O-NE2 3.38Å | ||
| 522 | S | 92.8 | Very high | 95.3 | Very high | 73 Ų | 73 | 19.1 Ų | 19.1 | 51% | 0.51 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -79.4 | -20.8 | 173.7 | 60 | 0 | 0 | 0 | 0 | 112.8 | N483 P524 Y575 | N483-S522 PolarHBondContact OD1-N 3.46Å; N483-S522 PolarHBondContact OD1-OG 2.88Å; S522-P524 WeakPolarHBondContact O-CD 3.21Å; S522-Y575 PolarHBondContact O-OH 2.94Å; S522-Y575 VanDerWaalsContact O-OH 3.05Å |
| 523 | A | 92.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 19 Ų | 19 | 11% | 0.107 | 12% | 0.117 | C | C | . | . | trans | -81.4 | 121.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | F369 P486 V525 V526 Q527 | F369-A523 HydrophobicContact CE1-CB 4.31Å; P486-A523 HydrophobicContact CB-CB 3.97Å; A523-V525 PolarHBondContact O-N 2.92Å; A523-V526 HydrophobicContact CB-CB 4.25Å; A523-V526 HydrophobicContact CB-CG2 3.89Å; A523-V526 PolarHBondContact O-N 3.31Å; A523-V526 VanDerWaalsContact O-N 3.14Å; A523-Q527 PolarHBondContact O-N 3.12Å; A523-Q527 VanDerWaalsContact O-N 3.15Å | ||
| 524 | P | 92.2 | Very high | 95.2 | Very high | 43 Ų | 43 | 17 Ų | 17 | 28% | 0.279 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -57.8 | -34.1 | 177.5 | -21.9 | 29.4 | 0 | 0 | 0 | 113.4 | P373 S522 Q527 S528 Y575 | P373-P524 HydrophobicContact CB-CB 4.09Å; P373-P524 HydrophobicContact CB-CG 4.46Å; P373-P524 HydrophobicContact CG-CB 4.12Å; P373-P524 HydrophobicContact CG-CG 4.15Å; S522-P524 WeakPolarHBondContact O-CD 3.21Å; P524-Q527 PolarHBondContact O-N 3.44Å; P524-S528 WeakPolarHBondContact O-CB 3.47Å; P524-S528 PolarHBondContact O-N 2.83Å; P524-S528 PolarHBondContact O-OG 3.1Å; P524-Y575 HydrophobicContact CB-CD1 3.84Å; P524-Y575 HydrophobicContact CB-CE1 4Å; P524-Y575 HydrophobicContact CG-CD1 3.78Å; P524-Y575 HydrophobicContact CG-CE1 3.54Å |
| 525 | V | 93.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | F369 P373 Y376 I377 A490 A523 Q527 S528 Y529 | F369-V525 HydrophobicContact CD1-CG2 4.41Å; F369-V525 HydrophobicContact CD2-CB 4.05Å; F369-V525 HydrophobicContact CD2-CG1 3.87Å; F369-V525 HydrophobicContact CD2-CG2 3.91Å; F369-V525 HydrophobicContact CE1-CB 4.38Å; F369-V525 HydrophobicContact CE1-CG2 4.44Å; F369-V525 HydrophobicContact CE2-CB 3.59Å; F369-V525 HydrophobicContact CE2-CG1 3.41Å; F369-V525 VanDerWaalsContact CE2-CG1 3.41Å; F369-V525 HydrophobicContact CE2-CG2 3.96Å; F369-V525 HydrophobicContact CG-CG2 4.14Å; F369-V525 HydrophobicContact CZ-CB 3.76Å; F369-V525 HydrophobicContact CZ-CG1 4.07Å; F369-V525 HydrophobicContact CZ-CG2 4.22Å; P373-V525 HydrophobicContact CB-CG2 3.55Å; Y376-V525 HydrophobicContact CD1-CG1 3.75Å; Y376-V525 HydrophobicContact CD1-CG2 4.24Å; Y376-V525 HydrophobicContact CE1-CG1 3.87Å; I377-V525 HydrophobicContact CG1-CG1 4.17Å; I377-V525 HydrophobicContact CG1-CG2 4.38Å; A490-V525 HydrophobicContact CB-CG1 4.27Å; A523-V525 PolarHBondContact O-N 2.92Å; V525-Q527 PolarHBondContact O-N 2.61Å; V525-S528 PolarHBondContact O-N 3.47Å; V525-Y529 HydrophobicContact CG1-CD2 3.73Å; V525-Y529 HydrophobicContact CG1-CE2 3.83Å; V525-Y529 VanDerWaalsContact O-CD2 3.31Å; V525-Y529 WeakPolarHBondContact O-CD2 3.21Å; V525-Y529 PolarHBondContact O-N 3.39Å |
| 526 | V | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 179 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | F369 P486 K489 A490 L493 A521 A523 S528 Y529 V530 | F369-V526 HydrophobicContact CZ-CG2 4.44Å; P486-V526 HydrophobicContact CB-CG2 4Å; P486-V526 VanDerWaalsContact O-CG2 3.3Å; P486-V526 WeakPolarHBondContact O-CG2 3.46Å; K489-V526 HydrophobicContact CB-CG2 4.34Å; K489-V526 HydrophobicContact CG-CG1 3.92Å; A490-V526 HydrophobicContact CB-CG2 4.45Å; L493-V526 HydrophobicContact CD1-CG1 4.01Å; A521-V526 HydrophobicContact CB-CB 3.83Å; A521-V526 HydrophobicContact CB-CG1 3.58Å; A523-V526 HydrophobicContact CB-CB 4.25Å; A523-V526 HydrophobicContact CB-CG2 3.89Å; A523-V526 PolarHBondContact O-N 3.31Å; A523-V526 VanDerWaalsContact O-N 3.14Å; V526-S528 VanDerWaalsContact C-N 3.3Å; V526-S528 PolarHBondContact O-N 3.09Å; V526-Y529 PolarHBondContact O-N 2.97Å; V526-V530 HydrophobicContact CG1-CG2 4.3Å; V526-V530 VanDerWaalsContact O-CG2 3.24Å; V526-V530 WeakPolarHBondContact O-CG2 3.41Å; V526-V530 PolarHBondContact O-N 3.08Å |
| 527 | Q | 95 | Very high | 94.8 | Very high | 14 Ų | 14 | 16.9 Ų | 16.9 | 7% | 0.065 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.1 | -43.1 | 177.3 | -67.7 | 176.7 | -5.7 | 0 | 0 | 112.4 | A521 A523 P524 V525 V530 A531 I569 Y575 | A521-Q527 HydrophobicContact CB-CG 4.42Å; A521-Q527 PolarHBondContact O-NE2 3.38Å; A523-Q527 PolarHBondContact O-N 3.12Å; A523-Q527 VanDerWaalsContact O-N 3.15Å; P524-Q527 PolarHBondContact O-N 3.44Å; V525-Q527 PolarHBondContact O-N 2.61Å; Q527-V530 PolarHBondContact O-N 3.16Å; Q527-A531 WeakPolarHBondContact O-CB 3.48Å; Q527-A531 PolarHBondContact O-N 3.27Å; Q527-I569 HydrophobicContact CB-CD1 4.24Å; Q527-I569 HydrophobicContact CG-CD1 4.15Å; Q527-Y575 VanDerWaalsContact OE1-CE1 3.27Å |
| 528 | S | 94.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 5% | 0.049 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.2 | -38.4 | 179.6 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | I377 P524 V525 V526 A531 S532 | I377-S528 WeakPolarHBondContact CD1-OG 3.22Å; P524-S528 WeakPolarHBondContact O-CB 3.47Å; P524-S528 PolarHBondContact O-N 2.83Å; P524-S528 PolarHBondContact O-OG 3.1Å; V525-S528 PolarHBondContact O-N 3.47Å; V526-S528 VanDerWaalsContact C-N 3.3Å; V526-S528 PolarHBondContact O-N 3.09Å; S528-A531 PolarHBondContact O-N 2.83Å; S528-S532 WeakPolarHBondContact O-CB 3.45Å; S528-S532 PolarHBondContact O-N 3.29Å |
| 529 | Y | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 172.2 | -93.7 | -93.9 | 0 | 0 | 0 | 112.2 | D380 L381 A490 L493 R494 I497 V525 V526 S532 L533 | D380-Y529 PolarHBondContact OD2-OH 3.13Å; L381-Y529 HydrophobicContact CD1-CE2 4.35Å; L381-Y529 HydrophobicContact CD2-CD1 4.2Å; L381-Y529 HydrophobicContact CD2-CE1 3.46Å; L381-Y529 VanDerWaalsContact CD2-CE1 3.46Å; L381-Y529 HydrophobicContact CD2-CE2 4.37Å; L381-Y529 WeakPolarHBondContact CD2-OH 3.36Å; L381-Y529 HydrophobicContact CG-CE1 4.1Å; L381-Y529 HydrophobicContact CG-CE2 4.1Å; A490-Y529 HydrophobicContact CB-CD2 4.46Å; L493-Y529 HydrophobicContact CB-CD1 4.03Å; L493-Y529 HydrophobicContact CB-CG 4.39Å; R494-Y529 HydrophobicContact CB-CD1 4.18Å; R494-Y529 HydrophobicContact CB-CE1 3.55Å; R494-Y529 HydrophobicContact CG-CE1 3.97Å; I497-Y529 HydrophobicContact CD1-CD1 3.96Å; I497-Y529 HydrophobicContact CD1-CE1 4.48Å; V525-Y529 HydrophobicContact CG1-CD2 3.73Å; V525-Y529 HydrophobicContact CG1-CE2 3.83Å; V525-Y529 VanDerWaalsContact O-CD2 3.31Å; V525-Y529 WeakPolarHBondContact O-CD2 3.21Å; V525-Y529 PolarHBondContact O-N 3.39Å; V526-Y529 PolarHBondContact O-N 2.97Å; Y529-S532 PolarHBondContact O-N 3.47Å; Y529-L533 WeakPolarHBondContact O-CB 3.48Å; Y529-L533 PolarHBondContact O-N 2.93Å |
| 530 | V | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | L493 T515 L518 L519 V526 Q527 S532 L533 I534 | L493-V530 HydrophobicContact CD1-CG2 3.54Å; L493-V530 HydrophobicContact CD2-CG2 4.04Å; L493-V530 HydrophobicContact CG-CG2 4.46Å; T515-V530 HydrophobicContact CG2-CG1 3.99Å; L518-V530 HydrophobicContact CB-CG1 4.14Å; L518-V530 HydrophobicContact CB-CG2 3.55Å; L518-V530 HydrophobicContact CD1-CG2 4.45Å; L519-V530 HydrophobicContact CD2-CB 3.92Å; L519-V530 HydrophobicContact CD2-CG1 3.62Å; L519-V530 HydrophobicContact CG-CB 4.43Å; L519-V530 HydrophobicContact CG-CG1 3.67Å; V526-V530 HydrophobicContact CG1-CG2 4.3Å; V526-V530 VanDerWaalsContact O-CG2 3.24Å; V526-V530 WeakPolarHBondContact O-CG2 3.41Å; V526-V530 PolarHBondContact O-N 3.08Å; Q527-V530 PolarHBondContact O-N 3.16Å; V530-S532 PolarHBondContact O-N 3.05Å; V530-L533 WeakPolarHBondContact O-CB 3.46Å; V530-L533 PolarHBondContact O-N 2.86Å; V530-I534 HydrophobicContact CG1-CD1 4.07Å; V530-I534 WeakPolarHBondContact O-CG1 3.18Å; V530-I534 PolarHBondContact O-N 2.92Å |
| 531 | A | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Q527 S528 L533 I534 D535 V581 A584 | Q527-A531 WeakPolarHBondContact O-CB 3.48Å; Q527-A531 PolarHBondContact O-N 3.27Å; S528-A531 PolarHBondContact O-N 2.83Å; A531-L533 PolarHBondContact O-N 3.43Å; A531-I534 PolarHBondContact O-N 2.84Å; A531-D535 PolarHBondContact O-N 2.9Å; A531-V581 HydrophobicContact CB-CG2 4.18Å; A531-A584 HydrophobicContact CB-CB 3.84Å; A531-A584 WeakPolarHBondContact O-CB 3.48Å |
| 532 | S | 94.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.035 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 174.1 | -171.5 | 0 | 0 | 0 | 0 | 112 | S528 Y529 V530 D535 K536 | S528-S532 WeakPolarHBondContact O-CB 3.45Å; S528-S532 PolarHBondContact O-N 3.29Å; Y529-S532 PolarHBondContact O-N 3.47Å; V530-S532 PolarHBondContact O-N 3.05Å; S532-D535 PolarHBondContact O-N 3.17Å; S532-K536 WeakPolarHBondContact O-CB 3.47Å; S532-K536 VanDerWaalsContact O-CG 3.27Å; S532-K536 WeakPolarHBondContact O-CG 3.41Å; S532-K536 PolarHBondContact O-N 3.27Å |
| 533 | L | 96.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 174.7 | -178.9 | 69.1 | 0 | 0 | 0 | 111.4 | L493 A496 I497 T515 Y529 V530 A531 D535 K536 L537 | L493-L533 HydrophobicContact CD2-CD2 3.74Å; A496-L533 HydrophobicContact CB-CD1 4.08Å; I497-L533 HydrophobicContact CD1-CB 4.3Å; I497-L533 HydrophobicContact CG1-CB 3.96Å; I497-L533 HydrophobicContact CG1-CD1 3.81Å; T515-L533 HydrophobicContact CG2-CD2 4.43Å; Y529-L533 WeakPolarHBondContact O-CB 3.48Å; Y529-L533 PolarHBondContact O-N 2.93Å; V530-L533 WeakPolarHBondContact O-CB 3.46Å; V530-L533 PolarHBondContact O-N 2.86Å; A531-L533 PolarHBondContact O-N 3.43Å; L533-D535 VanDerWaalsContact C-N 3.35Å; L533-D535 PolarHBondContact O-N 3.33Å; L533-K536 PolarHBondContact O-N 2.71Å; L533-L537 HydrophobicContact CD1-CD1 3.86Å; L533-L537 HydrophobicContact CD1-CD2 4.25Å; L533-L537 HydrophobicContact CD1-CG 3.84Å; L533-L537 HydrophobicContact CD2-CD1 4.41Å; L533-L537 HydrophobicContact CG-CD1 3.82Å; L533-L537 HydrophobicContact CG-CG 4.12Å; L533-L537 WeakPolarHBondContact O-CB 3.42Å; L533-L537 VanDerWaalsContact O-CG 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.34Å; L533-L537 PolarHBondContact O-N 3.47Å |
| 534 | I | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.2 | -51.4 | 177.3 | -68.5 | 159.8 | 0 | 0 | 0 | 110.5 | L512 T515 L519 V530 A531 K536 L537 L538 L562 L566 A584 V588 | L512-I534 HydrophobicContact CD1-CG1 4.35Å; L512-I534 HydrophobicContact CD1-CG2 4.4Å; T515-I534 HydrophobicContact CG2-CD1 4.28Å; T515-I534 HydrophobicContact CG2-CG1 3.7Å; L519-I534 HydrophobicContact CD1-CD1 3.98Å; L519-I534 HydrophobicContact CD2-CD1 4.47Å; L519-I534 HydrophobicContact CG-CD1 4.46Å; V530-I534 HydrophobicContact CG1-CD1 4.07Å; V530-I534 WeakPolarHBondContact O-CG1 3.18Å; V530-I534 PolarHBondContact O-N 2.92Å; A531-I534 PolarHBondContact O-N 2.84Å; I534-K536 PolarHBondContact O-N 2.88Å; I534-L537 PolarHBondContact O-N 2.88Å; I534-L538 HydrophobicContact CG2-CD1 3.85Å; I534-L538 WeakPolarHBondContact O-CB 3.46Å; I534-L538 WeakPolarHBondContact O-CG 3.43Å; I534-L538 PolarHBondContact O-N 3.38Å; I534-L538 VanDerWaalsContact O-N 3.08Å; I534-L562 HydrophobicContact CD1-CD1 3.86Å; I534-L566 HydrophobicContact CD1-CD2 4.37Å; I534-A584 HydrophobicContact CB-CB 4.35Å; I534-A584 HydrophobicContact CG2-CB 4.32Å; I534-V588 HydrophobicContact CG2-CG2 3.5Å |
| 535 | D | 93.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -49.9 | -178.8 | 176.9 | 41 | 0 | 0 | 0 | 111.5 | A531 S532 L533 A539 R583 R587 | A531-D535 PolarHBondContact O-N 2.9Å; S532-D535 PolarHBondContact O-N 3.17Å; L533-D535 VanDerWaalsContact C-N 3.35Å; L533-D535 PolarHBondContact O-N 3.33Å; D535-A539 VanDerWaalsContact O-CB 3.26Å; D535-A539 WeakPolarHBondContact O-CB 3.3Å; D535-A539 PolarHBondContact O-N 3.48Å; D535-A539 VanDerWaalsContact O-N 3.07Å; D535-R583 WeakPolarHBondContact OD2-CD 3.23Å; D535-R583 IonicContact OD2-CZ 2.87Å; D535-R583 IonicContact OD2-NE 3.75Å; D535-R583 PolarHBondContact OD2-NE 3.34Å; D535-R583 IonicContact OD2-NH2 2.81Å; D535-R587 IonicContact OD1-CZ 3Å; D535-R587 IonicContact OD1-NE 3.2Å; D535-R587 PolarHBondContact OD1-NE 3.38Å; D535-R587 IonicContact OD1-NH2 3.05Å; D535-R587 PolarHBondContact OD1-NH2 2.72Å; D535-R587 VanDerWaalsContact OD1-NH2 3.15Å |
| 536 | K | 91.6 | Very high | 88.9 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 16% | 0.157 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | -177.3 | -64.2 | -64.2 | -176.7 | 180 | 0 | 112.7 | S532 L533 I534 M540 | S532-K536 WeakPolarHBondContact O-CB 3.47Å; S532-K536 VanDerWaalsContact O-CG 3.27Å; S532-K536 WeakPolarHBondContact O-CG 3.41Å; S532-K536 PolarHBondContact O-N 3.27Å; L533-K536 PolarHBondContact O-N 2.71Å; I534-K536 PolarHBondContact O-N 2.88Å; K536-M540 WeakPolarHBondContact O-CG 3.13Å |
| 537 | L | 94.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.7 | -46.7 | 178 | -71.3 | -175.8 | 0 | 0 | 0 | 112.1 | R500 L508 L511 L512 L533 I534 A539 M540 I551 | R500-L537 HydrophobicContact CB-CD2 3.98Å; L508-L537 HydrophobicContact CB-CD2 4.47Å; L508-L537 HydrophobicContact CD2-CD2 3.83Å; L511-L537 HydrophobicContact CB-CD1 4.23Å; L512-L537 HydrophobicContact CB-CD1 4.3Å; L533-L537 HydrophobicContact CD1-CD1 3.86Å; L533-L537 HydrophobicContact CD1-CD2 4.25Å; L533-L537 HydrophobicContact CD1-CG 3.84Å; L533-L537 HydrophobicContact CD2-CD1 4.41Å; L533-L537 HydrophobicContact CG-CD1 3.82Å; L533-L537 HydrophobicContact CG-CG 4.12Å; L533-L537 WeakPolarHBondContact O-CB 3.42Å; L533-L537 VanDerWaalsContact O-CG 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.34Å; L533-L537 PolarHBondContact O-N 3.47Å; I534-L537 PolarHBondContact O-N 2.88Å; L537-A539 VanDerWaalsContact C-N 3.26Å; L537-A539 PolarHBondContact O-N 2.95Å; L537-M540 HydrophobicContact CD2-SD 4.1Å; L537-M540 WeakPolarHBondContact O-CB 3.38Å; L537-M540 PolarHBondContact O-N 3.35Å; L537-I551 HydrophobicContact CB-CD1 4.09Å |
| 538 | L | 92.6 | Very high | 86.9 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.5 | -22.4 | -179.8 | -72.6 | -179.7 | 0 | 0 | 0 | 113 | L512 I534 M540 R541 R587 V588 C591 | L512-L538 HydrophobicContact CD1-CD2 4.41Å; L512-L538 HydrophobicContact CD1-CG 4.21Å; L512-L538 HydrophobicContact CD2-CD2 3.65Å; L512-L538 HydrophobicContact CD2-CG 4.34Å; I534-L538 HydrophobicContact CG2-CD1 3.85Å; I534-L538 WeakPolarHBondContact O-CB 3.46Å; I534-L538 WeakPolarHBondContact O-CG 3.43Å; I534-L538 PolarHBondContact O-N 3.38Å; I534-L538 VanDerWaalsContact O-N 3.08Å; L538-M540 VanDerWaalsContact C-N 3.32Å; L538-R541 PolarHBondContact O-NH1 3.43Å; L538-R587 HydrophobicContact CB-CG 3.5Å; L538-R587 VanDerWaalsContact CB-CG 3.5Å; L538-R587 HydrophobicContact CD1-CG 4Å; L538-R587 HydrophobicContact CG-CG 4.4Å; L538-V588 HydrophobicContact CD1-CG2 3.75Å; L538-C591 HydrophobicContact CD1-CB 4.39Å; L538-C591 HydrophobicContact CD2-CB 4.3Å |
| 539 | A | 87.7 | Confident | 86.5 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 26% | 0.256 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D535 L537 R541 | D535-A539 VanDerWaalsContact O-CB 3.26Å; D535-A539 WeakPolarHBondContact O-CB 3.3Å; D535-A539 PolarHBondContact O-N 3.48Å; D535-A539 VanDerWaalsContact O-N 3.07Å; L537-A539 VanDerWaalsContact C-N 3.26Å; L537-A539 PolarHBondContact O-N 2.95Å; A539-R541 PolarHBondContact O-NH1 3.02Å |
| 540 | M | 87 | Confident | 86.2 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | trans | -65.9 | 141.5 | -176 | -68.3 | 177.3 | 67 | 0 | 0 | 112.1 | R500 L508 K536 L537 L538 P549 V550 | R500-M540 HydrophobicContact CB-SD 4Å; R500-M540 HydrophobicContact CG-CE 4.46Å; R500-M540 HydrophobicContact CG-SD 3.88Å; R500-M540 WeakPolarHBondContact O-CE 3.2Å; L508-M540 HydrophobicContact CD1-CE 3.98Å; L508-M540 HydrophobicContact CD1-SD 4.16Å; K536-M540 WeakPolarHBondContact O-CG 3.13Å; L537-M540 HydrophobicContact CD2-SD 4.1Å; L537-M540 WeakPolarHBondContact O-CB 3.38Å; L537-M540 PolarHBondContact O-N 3.35Å; L538-M540 VanDerWaalsContact C-N 3.32Å; M540-P549 WeakPolarHBondContact O-CA 3.46Å; M540-V550 HydrophobicContact CB-CB 3.95Å; M540-V550 HydrophobicContact CB-CG2 3.72Å; M540-V550 HydrophobicContact CE-CG2 4.38Å; M540-V550 PolarHBondContact O-N 2.95Å | ||
| 541 | R | 83.9 | Confident | 85.9 | Confident | 59 Ų | 59 | 44.9 Ų | 44.9 | 22% | 0.223 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -122.9 | 151.2 | 174.4 | -61.9 | -65.2 | -179.6 | -97.3 | 3.8 | 109.7 | L538 A539 P546 D548 E967 | L538-R541 PolarHBondContact O-NH1 3.43Å; A539-R541 PolarHBondContact O-NH1 3.02Å; R541-P546 WeakPolarHBondContact CB-O 3.22Å; R541-P546 WeakPolarHBondContact CG-O 3.34Å; R541-D548 WeakPolarHBondContact CA-O 3.17Å; R541-E967 IonicContact NH2-OE2 2.9Å |
| 542 | R | 80.1 | Confident | 85.7 | Confident | 126 Ų | 126 | 46.6 Ų | 46.6 | 48% | 0.475 | 25% | 0.252 | S | S | . | . | trans | -69.4 | 140.1 | 176.5 | -63.9 | -179.1 | 179.4 | -171.6 | -4.3 | 109.5 | D544 S545 P546 D548 V550 | R542-D544 VanDerWaalsContact C-N 3.32Å; R542-S545 CarbonylContact O-C 3.56Å; R542-S545 PolarHBondContact O-N 3.48Å; R542-S545 VanDerWaalsContact O-O 3.12Å; R542-P546 WeakPolarHBondContact O-CA 3.3Å; R542-D548 PolarHBondContact N-O 2.87Å; R542-V550 HydrophobicContact CG-CG2 4.2Å | ||
| 543 | L | 74.7 | Confident | 85.6 | Confident | 153 Ų | 153 | 48.4 Ų | 48.4 | 80% | 0.801 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -65.4 | -38.4 | 177.7 | -70.9 | 167.1 | 0 | 0 | 0 | 111.4 | ||
| 544 | D | 77.4 | Confident | 85.5 | Confident | 164 Ų | 164 | 54 Ų | 54 | 88% | 0.877 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -76.8 | -23.2 | -179.2 | -53.1 | -34.5 | 0 | 0 | 0 | 113.4 | R542 | R542-D544 VanDerWaalsContact C-N 3.32Š|
| 545 | S | 75.5 | Confident | 85.4 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | trans | -140.2 | 86.5 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 109 | R542 T547 D548 | R542-S545 CarbonylContact O-C 3.56Å; R542-S545 PolarHBondContact O-N 3.48Å; R542-S545 VanDerWaalsContact O-O 3.12Å; S545-T547 PolarHBondContact O-N 3.25Å; S545-D548 VanDerWaalsContact CB-OD2 3.24Å; S545-D548 WeakPolarHBondContact CB-OD2 3.36Å; S545-D548 PolarHBondContact O-N 3.27Å; S545-D548 PolarHBondContact OG-OD2 3.37Å | ||
| 546 | P | 67.8 | Low | 85.5 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.6 | -171.9 | -24.7 | 33.8 | 0 | 0 | 0 | 114.8 | R541 R542 | R541-P546 WeakPolarHBondContact CB-O 3.22Å; R541-P546 WeakPolarHBondContact CG-O 3.34Å; R542-P546 WeakPolarHBondContact O-CA 3.3Å |
| 547 | T | 69 | Low | 85.6 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -25.1 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | S545 | S545-T547 PolarHBondContact O-N 3.25Š|
| 548 | D | 78.7 | Confident | 85.6 | Confident | 67 Ų | 67 | 66.2 Ų | 66.2 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -88.9 | 130.5 | -171.4 | -61.9 | -15.1 | 0 | 0 | 0 | 110.8 | R541 R542 S545 | R541-D548 WeakPolarHBondContact CA-O 3.17Å; R542-D548 PolarHBondContact N-O 2.87Å; S545-D548 VanDerWaalsContact CB-OD2 3.24Å; S545-D548 WeakPolarHBondContact CB-OD2 3.36Å; S545-D548 PolarHBondContact O-N 3.27Å; S545-D548 PolarHBondContact OG-OD2 3.37Å |
| 549 | P | 85.9 | Confident | 85.8 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -68 | 147.1 | 175.7 | 29.8 | -34.7 | 0 | 0 | 0 | 111 | M540 I551 | M540-P549 WeakPolarHBondContact O-CA 3.46Å; P549-I551 VanDerWaalsContact C-N 3.3Å |
| 550 | V | 89.2 | Confident | 86.2 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -66.9 | -37.9 | 171.8 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | L508 M540 R542 P552 | L508-V550 HydrophobicContact CD1-CG1 3.98Å; M540-V550 HydrophobicContact CB-CB 3.95Å; M540-V550 HydrophobicContact CB-CG2 3.72Å; M540-V550 HydrophobicContact CE-CG2 4.38Å; M540-V550 PolarHBondContact O-N 2.95Å; R542-V550 HydrophobicContact CG-CG2 4.2Å; V550-P552 WeakPolarHBondContact O-CD 3.25Å |
| 551 | I | 92 | Very high | 86.6 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -110.2 | 101.6 | 174.6 | -55.3 | 176.3 | 0 | 0 | 0 | 108.5 | L508 I509 L512 L537 P549 Q555 | L508-I551 HydrophobicContact CB-CD1 4.16Å; I509-I551 HydrophobicContact CG1-CG1 4.23Å; I509-I551 HydrophobicContact CG1-CG2 4.26Å; L512-I551 HydrophobicContact CB-CD1 4.15Å; L512-I551 HydrophobicContact CD2-CD1 3.97Å; L512-I551 HydrophobicContact CD2-CG2 3.74Å; L537-I551 HydrophobicContact CB-CD1 4.09Å; P549-I551 VanDerWaalsContact C-N 3.3Å; I551-Q555 HydrophobicContact CG2-CB 4.16Å |
| 552 | P | 91.8 | Very high | 87.3 | Confident | 36 Ų | 36 | 69 Ų | 69 | 23% | 0.234 | 37% | 0.365 | C | S | . | . | trans | -60.7 | 149.8 | 173.3 | -22.5 | 33.6 | 0 | 0 | 0 | 111.6 | V550 E554 Q555 | V550-P552 WeakPolarHBondContact O-CD 3.25Å; P552-E554 VanDerWaalsContact CB-OE2 3.27Å; P552-E554 WeakPolarHBondContact CB-OE2 3.44Å; P552-E554 PolarHBondContact O-N 3.36Å; P552-E554 VanDerWaalsContact O-N 3.11Å; P552-Q555 HydrophobicContact CB-CG 4.48Å; P552-Q555 HydrophobicContact CG-CG 4.46Å; P552-Q555 WeakPolarHBondContact O-CB 3.27Å; P552-Q555 PolarHBondContact O-N 3.1Å | ||
| 553 | K | 91.7 | Very high | 88.1 | Confident | 43 Ų | 43 | 63 Ų | 63 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -58.6 | -30.4 | -176.6 | 66.1 | -179.8 | 172.3 | 179.7 | 0 | 112.2 | Q555 V556 C591 E594 R595 | K553-Q555 PolarHBondContact O-N 2.92Å; K553-V556 PolarHBondContact O-N 2.9Å; K553-C591 VanDerWaalsContact CB-O 3.24Å; K553-C591 WeakPolarHBondContact CB-O 3.39Å; K553-E594 WeakPolarHBondContact CE-OE1 3.36Å; K553-E594 IonicContact NZ-OE1 2.67Å; K553-E594 PolarHBondContact NZ-OE1 3.42Å; K553-E594 IonicContact NZ-OE2 2.81Å; K553-E594 PolarHBondContact NZ-OE2 3.49Å; K553-R595 PolarHBondContact O-NH1 3Å |
| 554 | E | 93.8 | Very high | 89.1 | Confident | 120 Ų | 120 | 58.7 Ų | 58.7 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -66.4 | -23.8 | 179.4 | -59.1 | 71 | -151.4 | 0 | 0 | 113 | P552 V556 | P552-E554 VanDerWaalsContact CB-OE2 3.27Å; P552-E554 WeakPolarHBondContact CB-OE2 3.44Å; P552-E554 PolarHBondContact O-N 3.36Å; P552-E554 VanDerWaalsContact O-N 3.11Å; E554-V556 VanDerWaalsContact C-N 3.27Å; E554-V556 PolarHBondContact O-N 3.33Å |
| 555 | Q | 95.5 | Very high | 90 | Very high | 94 Ų | 94 | 55 Ų | 55 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -80.5 | -6.8 | -179.9 | -65.4 | -68.4 | -38.6 | 0 | 0 | 113.2 | I509 N513 I551 P552 K553 S557 | I509-Q555 HydrophobicContact CD1-CB 4.44Å; I509-Q555 HydrophobicContact CD1-CG 4.17Å; I509-Q555 HydrophobicContact CG1-CB 4.39Å; I509-Q555 HydrophobicContact CG2-CB 4.13Å; N513-Q555 PolarHBondContact ND2-O 3.08Å; N513-Q555 PolarHBondContact OD1-O 3.48Å; I551-Q555 HydrophobicContact CG2-CB 4.16Å; P552-Q555 HydrophobicContact CB-CG 4.48Å; P552-Q555 HydrophobicContact CG-CG 4.46Å; P552-Q555 WeakPolarHBondContact O-CB 3.27Å; P552-Q555 PolarHBondContact O-N 3.1Å; K553-Q555 PolarHBondContact O-N 2.92Å; Q555-S557 PolarHBondContact O-N 3.43Å |
| 556 | V | 95.3 | Very high | 91 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | trans | -78.9 | 108.2 | 170.9 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | L512 K553 E554 P559 L562 L592 R595 | L512-V556 HydrophobicContact CD2-CG2 3.86Å; K553-V556 PolarHBondContact O-N 2.9Å; E554-V556 VanDerWaalsContact C-N 3.27Å; E554-V556 PolarHBondContact O-N 3.33Å; V556-P559 HydrophobicContact CG1-CB 4.41Å; V556-L562 HydrophobicContact CG1-CD2 4.45Å; V556-L592 HydrophobicContact CB-CD2 3.98Å; V556-L592 HydrophobicContact CG1-CD2 4.12Å; V556-L592 HydrophobicContact CG2-CD2 4.09Å; V556-R595 PolarHBondContact O-NH1 3.37Å; V556-R595 PolarHBondContact O-NH2 3.22Å; V556-R595 VanDerWaalsContact O-NH2 3.1Å | ||
| 557 | S | 94 | Very high | 92.3 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 57% | 0.573 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -70 | -48.5 | -170.6 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | N513 Q555 P559 | N513-S557 PolarHBondContact ND2-OG 2.98Å; N513-S557 PolarHBondContact OD1-N 3.42Å; N513-S557 PolarHBondContact OD1-OG 3.13Å; Q555-S557 PolarHBondContact O-N 3.43Å; S557-P559 WeakPolarHBondContact O-CD 3.21Å |
| 558 | E | 94.9 | Very high | 93.5 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | trans | -124 | 71.1 | -174.3 | -62.5 | -172.4 | 101 | 0 | 0 | 112 | Q560 L561 L562 | E558-Q560 PolarHBondContact O-N 3.02Å; E558-L561 HydrophobicContact CB-CB 3.95Å; E558-L561 HydrophobicContact CB-CD2 4.42Å; E558-L561 PolarHBondContact O-N 3.19Å; E558-L562 PolarHBondContact O-N 2.73Å; E558-L562 VanDerWaalsContact O-N 3.08Å | ||
| 559 | P | 95.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | -173.6 | 24.2 | -35.2 | 0 | 0 | 0 | 113.6 | V556 S557 L562 I563 L592 | V556-P559 HydrophobicContact CG1-CB 4.41Å; S557-P559 WeakPolarHBondContact O-CD 3.21Å; P559-L562 PolarHBondContact O-N 2.94Å; P559-I563 WeakPolarHBondContact O-CG1 3.24Å; P559-I563 PolarHBondContact O-N 3.34Å; P559-I563 VanDerWaalsContact O-N 3.07Å; P559-L592 HydrophobicContact CB-CD1 3.49Å; P559-L592 VanDerWaalsContact CB-CD1 3.49Å; P559-L592 HydrophobicContact CB-CD2 3.97Å; P559-L592 HydrophobicContact CB-CG 4.39Å |
| 560 | Q | 95.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 45.7 Ų | 45.7 | 47% | 0.467 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66 | -45 | -179.8 | -65.5 | 178.9 | 11.1 | 0 | 0 | 111.1 | E558 L562 I563 D564 P598 | E558-Q560 PolarHBondContact O-N 3.02Å; Q560-L562 VanDerWaalsContact C-N 3.33Å; Q560-L562 PolarHBondContact O-N 2.96Å; Q560-I563 PolarHBondContact O-N 2.9Å; Q560-D564 WeakPolarHBondContact O-CB 3.39Å; Q560-D564 VanDerWaalsContact O-CG 3.24Å; Q560-D564 PolarHBondContact O-N 3.34Å; Q560-P598 HydrophobicContact CG-CB 4.45Å; Q560-P598 VanDerWaalsContact NE2-CB 3.27Å |
| 561 | L | 96.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 48 Ų | 48 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -43 | 177.4 | -177.9 | 62.6 | 0 | 0 | 0 | 111.3 | P516 E558 I563 D564 R565 | P516-L561 HydrophobicContact CB-CD2 4.05Å; P516-L561 HydrophobicContact CB-CG 4.06Å; E558-L561 HydrophobicContact CB-CB 3.95Å; E558-L561 HydrophobicContact CB-CD2 4.42Å; E558-L561 PolarHBondContact O-N 3.19Å; L561-I563 PolarHBondContact O-N 2.96Å; L561-D564 PolarHBondContact O-N 2.94Å; L561-R565 HydrophobicContact CD1-CG 4.32Å; L561-R565 HydrophobicContact CG-CG 4.45Å; L561-R565 WeakPolarHBondContact O-CB 3.39Å; L561-R565 WeakPolarHBondContact O-CG 3.25Å; L561-R565 PolarHBondContact O-N 3.06Å |
| 562 | L | 97.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 176.5 | 178.1 | 57.3 | 0 | 0 | 0 | 111.7 | P516 L519 I534 V556 E558 P559 Q560 R565 L566 V588 | P516-L562 HydrophobicContact CG-CB 4.15Å; P516-L562 HydrophobicContact CG-CD1 4.18Å; L519-L562 HydrophobicContact CD1-CD1 3.9Å; I534-L562 HydrophobicContact CD1-CD1 3.86Å; V556-L562 HydrophobicContact CG1-CD2 4.45Å; E558-L562 PolarHBondContact O-N 2.73Å; E558-L562 VanDerWaalsContact O-N 3.08Å; P559-L562 PolarHBondContact O-N 2.94Å; Q560-L562 VanDerWaalsContact C-N 3.33Å; Q560-L562 PolarHBondContact O-N 2.96Å; L562-R565 PolarHBondContact O-N 3.46Å; L562-L566 HydrophobicContact CD1-CD1 4.35Å; L562-L566 HydrophobicContact CG-CD1 4.45Å; L562-L566 WeakPolarHBondContact O-CG 3.45Å; L562-L566 PolarHBondContact O-N 3.27Å; L562-V588 HydrophobicContact CD2-CG1 4.07Å; L562-V588 HydrophobicContact CD2-CG2 3.81Å; L562-V588 HydrophobicContact CG-CG1 4.36Å; L562-V588 HydrophobicContact CG-CG2 4.27Å |
| 563 | I | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 177 | -69.1 | 167.1 | 0 | 0 | 0 | 110.3 | P559 Q560 L561 R565 L566 L567 L585 V588 L592 C596 L603 | P559-I563 WeakPolarHBondContact O-CG1 3.24Å; P559-I563 PolarHBondContact O-N 3.34Å; P559-I563 VanDerWaalsContact O-N 3.07Å; Q560-I563 PolarHBondContact O-N 2.9Å; L561-I563 PolarHBondContact O-N 2.96Å; I563-R565 VanDerWaalsContact C-N 3.28Å; I563-R565 PolarHBondContact O-N 3.03Å; I563-L566 PolarHBondContact O-N 2.87Å; I563-L566 VanDerWaalsContact O-N 3.17Å; I563-L567 HydrophobicContact CG2-CD1 3.8Å; I563-L567 HydrophobicContact CG2-CG 4.1Å; I563-L567 WeakPolarHBondContact O-CB 3.35Å; I563-L567 VanDerWaalsContact O-CG 3.31Å; I563-L567 WeakPolarHBondContact O-CG 3.39Å; I563-L567 PolarHBondContact O-N 2.77Å; I563-L585 HydrophobicContact CG2-CD1 4.28Å; I563-V588 HydrophobicContact CD1-CG1 4.47Å; I563-V588 HydrophobicContact CG1-CG1 3.83Å; I563-L592 HydrophobicContact CD1-CD1 4.09Å; I563-C596 HydrophobicContact CD1-CB 3.97Å; I563-L603 HydrophobicContact CG2-CD1 4.28Å; I563-L603 HydrophobicContact CG2-CD2 3.81Å; I563-L603 HydrophobicContact CG2-CG 3.92Å |
| 564 | D | 96.4 | Very high | 92.1 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -37.9 | -179 | -70.2 | -18.8 | 0 | 0 | 0 | 111.9 | Q560 L561 L567 N568 | Q560-D564 WeakPolarHBondContact O-CB 3.39Å; Q560-D564 VanDerWaalsContact O-CG 3.24Å; Q560-D564 PolarHBondContact O-N 3.34Å; L561-D564 PolarHBondContact O-N 2.94Å; D564-L567 PolarHBondContact O-N 3.46Å; D564-N568 WeakPolarHBondContact O-CB 3.36Å; D564-N568 PolarHBondContact O-N 3.03Å; D564-N568 PolarHBondContact O-ND2 2.67Å |
| 565 | R | 95.7 | Very high | 90.9 | Very high | 88 Ų | 88 | 56 Ų | 56 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 175.9 | -69.3 | -71.1 | -177.2 | -148.7 | -1.3 | 112.3 | P516 L519 T520 L561 L562 I563 N568 I569 | P516-R565 HydrophobicContact CB-CG 4.35Å; P516-R565 WeakPolarHBondContact O-CG 3.44Å; P516-R565 PolarHBondContact O-NE 3.03Å; L519-R565 HydrophobicContact CB-CB 4.05Å; L519-R565 HydrophobicContact CD1-CB 3.81Å; T520-R565 VanDerWaalsContact CG2-CZ 3.47Å; L561-R565 HydrophobicContact CD1-CG 4.32Å; L561-R565 HydrophobicContact CG-CG 4.45Å; L561-R565 WeakPolarHBondContact O-CB 3.39Å; L561-R565 WeakPolarHBondContact O-CG 3.25Å; L561-R565 PolarHBondContact O-N 3.06Å; L562-R565 PolarHBondContact O-N 3.46Å; I563-R565 VanDerWaalsContact C-N 3.28Å; I563-R565 PolarHBondContact O-N 3.03Å; R565-N568 PolarHBondContact O-N 3.3Å; R565-I569 WeakPolarHBondContact O-CG1 3.27Å; R565-I569 PolarHBondContact O-N 3.33Å |
| 566 | L | 96.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 176 | -68.6 | 169.2 | 0 | 0 | 0 | 111.6 | L519 I534 L562 I563 I569 L570 V581 A584 L585 V588 | L519-L566 HydrophobicContact CD1-CD2 3.75Å; L519-L566 HydrophobicContact CD1-CG 3.89Å; L519-L566 HydrophobicContact CD2-CD2 4.03Å; I534-L566 HydrophobicContact CD1-CD2 4.37Å; L562-L566 HydrophobicContact CD1-CD1 4.35Å; L562-L566 HydrophobicContact CG-CD1 4.45Å; L562-L566 WeakPolarHBondContact O-CG 3.45Å; L562-L566 PolarHBondContact O-N 3.27Å; I563-L566 PolarHBondContact O-N 2.87Å; I563-L566 VanDerWaalsContact O-N 3.17Å; L566-I569 PolarHBondContact O-N 2.83Å; L566-L570 PolarHBondContact O-N 2.99Å; L566-L570 VanDerWaalsContact O-N 3.08Å; L566-V581 HydrophobicContact CD2-CG1 4.07Å; L566-A584 HydrophobicContact CD1-CB 4.48Å; L566-A584 HydrophobicContact CD2-CB 4.17Å; L566-L585 HydrophobicContact CB-CB 4.5Å; L566-L585 HydrophobicContact CB-CD1 4.07Å; L566-L585 HydrophobicContact CD1-CB 4.38Å; L566-L585 HydrophobicContact CD1-CD1 4.24Å; L566-V588 HydrophobicContact CD1-CG2 4.04Å |
| 567 | L | 95.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 176 | -71.7 | -177.3 | 0 | 0 | 0 | 112.7 | I563 D564 I569 L570 N571 L585 L603 T606 | I563-L567 HydrophobicContact CG2-CD1 3.8Å; I563-L567 HydrophobicContact CG2-CG 4.1Å; I563-L567 WeakPolarHBondContact O-CB 3.35Å; I563-L567 VanDerWaalsContact O-CG 3.31Å; I563-L567 WeakPolarHBondContact O-CG 3.39Å; I563-L567 PolarHBondContact O-N 2.77Å; D564-L567 PolarHBondContact O-N 3.46Å; L567-I569 VanDerWaalsContact C-N 3.32Å; L567-I569 PolarHBondContact O-N 3.14Å; L567-L570 PolarHBondContact O-N 3.01Å; L567-N571 WeakPolarHBondContact O-CB 3.48Å; L567-N571 PolarHBondContact O-N 3.24Å; L567-N571 PolarHBondContact O-ND2 3.11Å; L567-L585 HydrophobicContact CD2-CD1 4.43Å; L567-L585 HydrophobicContact CD2-CD2 3.75Å; L567-L603 HydrophobicContact CD1-CD2 4.29Å; L567-L603 HydrophobicContact CD1-CG 4.28Å; L567-L603 HydrophobicContact CD2-CD2 4.08Å; L567-L603 HydrophobicContact CG-CD2 4.44Å; L567-T606 HydrophobicContact CD2-CG2 3.71Å |
| 568 | N | 93.4 | Very high | 88.6 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.9 | -74.8 | -34.3 | 0 | 0 | 0 | 112.2 | D564 R565 N572 | D564-N568 WeakPolarHBondContact O-CB 3.36Å; D564-N568 PolarHBondContact O-N 3.03Å; D564-N568 PolarHBondContact O-ND2 2.67Å; R565-N568 PolarHBondContact O-N 3.3Å; N568-N572 PolarHBondContact O-N 3.33Å |
| 569 | I | 93.8 | Very high | 88.4 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.6 | -45.9 | 175.7 | -61.9 | 164.5 | 0 | 0 | 0 | 110.3 | L519 Q527 R565 L566 L567 N571 N572 V581 | L519-I569 HydrophobicContact CB-CD1 4.15Å; L519-I569 HydrophobicContact CD2-CD1 3.71Å; L519-I569 HydrophobicContact CG-CD1 4.44Å; Q527-I569 HydrophobicContact CB-CD1 4.24Å; Q527-I569 HydrophobicContact CG-CD1 4.15Å; R565-I569 WeakPolarHBondContact O-CG1 3.27Å; R565-I569 PolarHBondContact O-N 3.33Å; L566-I569 PolarHBondContact O-N 2.83Å; L567-I569 VanDerWaalsContact C-N 3.32Å; L567-I569 PolarHBondContact O-N 3.14Å; I569-N571 VanDerWaalsContact C-N 3.27Å; I569-N571 PolarHBondContact O-N 2.88Å; I569-N572 WeakPolarHBondContact O-CB 3.38Å; I569-N572 PolarHBondContact O-N 3.23Å; I569-V581 HydrophobicContact CB-CG1 4.2Å; I569-V581 HydrophobicContact CG2-CG1 4.16Å; I569-V581 HydrophobicContact CG2-CG2 3.86Å |
| 570 | L | 92.2 | Very high | 88.3 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -34.5 | 177.7 | -73.4 | 171.3 | 0 | 0 | 0 | 113.2 | L566 L567 N572 V581 I582 L585 T606 R610 F623 | L566-L570 PolarHBondContact O-N 2.99Å; L566-L570 VanDerWaalsContact O-N 3.08Å; L567-L570 PolarHBondContact O-N 3.01Å; L570-N572 VanDerWaalsContact C-N 3.25Å; L570-N572 PolarHBondContact O-N 3.11Å; L570-V581 HydrophobicContact CD1-CG1 4.35Å; L570-V581 HydrophobicContact CD2-CB 4.18Å; L570-V581 HydrophobicContact CD2-CG1 3.89Å; L570-V581 HydrophobicContact CG-CG1 3.68Å; L570-I582 HydrophobicContact CD1-CD1 4.07Å; L570-I582 HydrophobicContact CD2-CB 4.26Å; L570-L585 HydrophobicContact CD1-CD2 3.51Å; L570-T606 HydrophobicContact CB-CG2 4.44Å; L570-R610 VanDerWaalsContact O-CD 3.3Å; L570-R610 WeakPolarHBondContact O-CD 3.4Å; L570-R610 PolarHBondContact O-NH1 3.33Å; L570-F623 HydrophobicContact CD2-CE2 3.94Å |
| 571 | N | 88.3 | Confident | 88.2 | Confident | 66 Ų | 66 | 42 Ų | 42 | 35% | 0.353 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.9 | -14 | 177.1 | -81.3 | -39.7 | 0 | 0 | 0 | 113.4 | L567 I569 P573 T606 | L567-N571 WeakPolarHBondContact O-CB 3.48Å; L567-N571 PolarHBondContact O-N 3.24Å; L567-N571 PolarHBondContact O-ND2 3.11Å; I569-N571 VanDerWaalsContact C-N 3.27Å; I569-N571 PolarHBondContact O-N 2.88Å; N571-P573 WeakPolarHBondContact O-CD 3.27Å; N571-T606 WeakPolarHBondContact ND2-CG2 3.32Å; N571-T606 PolarHBondContact ND2-OG1 2.84Å; N571-T606 VanDerWaalsContact ND2-OG1 3.14Å; N571-T606 VanDerWaalsContact OD1-CG2 3.29Å; N571-T606 WeakPolarHBondContact OD1-CG2 3.41Å |
| 572 | N | 84.7 | Confident | 88.1 | Confident | 52 Ų | 52 | 39.4 Ų | 39.4 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | trans | -79.4 | 117.9 | -179.6 | -165.8 | -31.3 | 0 | 0 | 0 | 110.7 | N568 I569 L570 E574 Y575 G576 | N568-N572 PolarHBondContact O-N 3.33Å; I569-N572 WeakPolarHBondContact O-CB 3.38Å; I569-N572 PolarHBondContact O-N 3.23Å; L570-N572 VanDerWaalsContact C-N 3.25Å; L570-N572 PolarHBondContact O-N 3.11Å; N572-E574 PolarHBondContact O-N 3.35Å; N572-E574 WeakPolarHBondContact OD1-CB 3.48Å; N572-E574 PolarHBondContact OD1-N 2.84Å; N572-Y575 HydrophobicContact CB-CD2 3.61Å; N572-Y575 HydrophobicContact CB-CE2 4.31Å; N572-Y575 HydrophobicContact CB-CG 4.44Å; N572-Y575 VanDerWaalsContact ND2-CD2 3.28Å; N572-Y575 WeakPolarHBondContact ND2-CD2 3.44Å; N572-Y575 WeakPolarHBondContact ND2-CE2 3.41Å; N572-Y575 PolarHBondContact O-N 3.33Å; N572-G576 PolarHBondContact O-N 2.89Å | ||
| 573 | P | 73 | Confident | 87.9 | Confident | 110 Ų | 110 | 41.2 Ų | 41.2 | 71% | 0.714 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.9 | -179.3 | 25.5 | -34.6 | 0 | 0 | 0 | 113.5 | N571 Y575 | N571-P573 WeakPolarHBondContact O-CD 3.27Å; P573-Y575 VanDerWaalsContact C-N 3.35Å |
| 574 | E | 69 | Low | 87.9 | Confident | 165 Ų | 165 | 41.2 Ų | 41.2 | 77% | 0.771 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -30.9 | -179.9 | -64.7 | -179.6 | 162.7 | 0 | 0 | 112.7 | N572 | N572-E574 PolarHBondContact O-N 3.35Å; N572-E574 WeakPolarHBondContact OD1-CB 3.48Å; N572-E574 PolarHBondContact OD1-N 2.84Å |
| 575 | Y | 68.3 | Low | 87.9 | Confident | 47 Ų | 47 | 38.3 Ų | 38.3 | 18% | 0.184 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -6.9 | -174.9 | -59.2 | -102.1 | 0 | 0 | 0 | 111.9 | S522 P524 Q527 N572 P573 | S522-Y575 PolarHBondContact O-OH 2.94Å; S522-Y575 VanDerWaalsContact O-OH 3.05Å; P524-Y575 HydrophobicContact CB-CD1 3.84Å; P524-Y575 HydrophobicContact CB-CE1 4Å; P524-Y575 HydrophobicContact CG-CD1 3.78Å; P524-Y575 HydrophobicContact CG-CE1 3.54Å; Q527-Y575 VanDerWaalsContact OE1-CE1 3.27Å; N572-Y575 HydrophobicContact CB-CD2 3.61Å; N572-Y575 HydrophobicContact CB-CE2 4.31Å; N572-Y575 HydrophobicContact CB-CG 4.44Å; N572-Y575 VanDerWaalsContact ND2-CD2 3.28Å; N572-Y575 WeakPolarHBondContact ND2-CD2 3.44Å; N572-Y575 WeakPolarHBondContact ND2-CE2 3.41Å; N572-Y575 PolarHBondContact O-N 3.33Å; P573-Y575 VanDerWaalsContact C-N 3.35Å |
| 576 | G | 64.8 | Low | 87.8 | Confident | 22 Ų | 22 | 34.1 Ų | 34.1 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | trans | 59 | -152.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N572 S578 | N572-G576 PolarHBondContact O-N 2.89Å; G576-S578 PolarHBondContact O-N 3.39Å | ||
| 577 | E | 82.5 | Confident | 87.7 | Confident | 31 Ų | 31 | 35 Ų | 35 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -80.7 | 55.8 | -177.4 | -67.2 | 171.5 | -169.9 | 0 | 0 | 111 | V579 V614 S619 K620 F623 | E577-V579 PolarHBondContact O-N 3.36Å; E577-V614 HydrophobicContact CG-CG2 4.14Å; E577-S619 PolarHBondContact OE2-OG 3.1Å; E577-K620 HydrophobicContact CB-CB 4.29Å; E577-K620 HydrophobicContact CB-CD 3.88Å; E577-K620 HydrophobicContact CB-CG 4.29Å; E577-K620 WeakPolarHBondContact O-CD 3.38Å; E577-K620 PolarHBondContact OE2-N 2.99Å; E577-F623 HydrophobicContact CB-CB 4.15Å; E577-F623 HydrophobicContact CB-CD1 3.69Å; E577-F623 HydrophobicContact CB-CD2 3.99Å; E577-F623 HydrophobicContact CB-CE1 4.07Å; E577-F623 HydrophobicContact CB-CE2 4.33Å; E577-F623 HydrophobicContact CB-CG 3.65Å; E577-F623 HydrophobicContact CB-CZ 4.37Å; E577-F623 HydrophobicContact CG-CD1 3.81Å; E577-F623 HydrophobicContact CG-CE1 3.85Å; E577-F623 HydrophobicContact CG-CG 4.3Å; E577-F623 HydrophobicContact CG-CZ 4.35Å; E577-F623 WeakPolarHBondContact O-CD2 3.24Å |
| 578 | S | 89.4 | Confident | 87.7 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | trans | -69.8 | 112.7 | -177.9 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | G576 Y580 V581 I582 | G576-S578 PolarHBondContact O-N 3.39Å; S578-Y580 VanDerWaalsContact C-N 3.28Å; S578-Y580 PolarHBondContact O-N 3.07Å; S578-V581 PolarHBondContact O-N 3.35Å; S578-I582 PolarHBondContact O-N 3.3Å | ||
| 579 | V | 91 | Very high | 87.8 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 18% | 0.176 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -39.2 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | E577 V581 I582 R583 D622 F623 F626 | E577-V579 PolarHBondContact O-N 3.36Å; V579-V581 PolarHBondContact O-N 2.96Å; V579-I582 VanDerWaalsContact O-CG2 3.3Å; V579-I582 WeakPolarHBondContact O-CG2 3.49Å; V579-R583 WeakPolarHBondContact O-CB 3.48Å; V579-R583 PolarHBondContact O-N 3.27Å; V579-D622 HydrophobicContact CG1-CB 3.87Å; V579-D622 HydrophobicContact CG2-CB 3.92Å; V579-F623 HydrophobicContact CG2-CB 4.05Å; V579-F626 HydrophobicContact CG1-CD2 4.06Å; V579-F626 HydrophobicContact CG1-CE2 4.18Å |
| 580 | Y | 92.5 | Very high | 87.6 | Confident | 26 Ų | 26 | 29.9 Ų | 29.9 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | -178.3 | -58.9 | -81.4 | 0 | 0 | 0 | 111.9 | I377 L381 E382 S578 A584 | I377-Y580 HydrophobicContact CG2-CD2 4.17Å; I377-Y580 HydrophobicContact CG2-CE1 4.28Å; I377-Y580 HydrophobicContact CG2-CE2 3.43Å; I377-Y580 VanDerWaalsContact CG2-CE2 3.43Å; I377-Y580 VanDerWaalsContact CG2-CZ 3.49Å; L381-Y580 HydrophobicContact CD1-CD1 4.14Å; L381-Y580 HydrophobicContact CD1-CE1 3.63Å; E382-Y580 PolarHBondContact OE1-OH 3.44Å; S578-Y580 VanDerWaalsContact C-N 3.28Å; S578-Y580 PolarHBondContact O-N 3.07Å; Y580-A584 WeakPolarHBondContact O-CB 3.33Å; Y580-A584 PolarHBondContact O-N 3.07Å |
| 581 | V | 95 | Very high | 87.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -45.4 | -177.7 | -178 | 0 | 0 | 0 | 0 | 111.2 | A531 L566 I569 L570 S578 V579 R583 A584 L585 | A531-V581 HydrophobicContact CB-CG2 4.18Å; L566-V581 HydrophobicContact CD2-CG1 4.07Å; I569-V581 HydrophobicContact CB-CG1 4.2Å; I569-V581 HydrophobicContact CG2-CG1 4.16Å; I569-V581 HydrophobicContact CG2-CG2 3.86Å; L570-V581 HydrophobicContact CD1-CG1 4.35Å; L570-V581 HydrophobicContact CD2-CB 4.18Å; L570-V581 HydrophobicContact CD2-CG1 3.89Å; L570-V581 HydrophobicContact CG-CG1 3.68Å; S578-V581 PolarHBondContact O-N 3.35Å; V579-V581 PolarHBondContact O-N 2.96Å; V581-R583 VanDerWaalsContact C-N 3.34Å; V581-R583 PolarHBondContact O-N 3.45Å; V581-A584 PolarHBondContact O-N 3.04Å; V581-L585 WeakPolarHBondContact O-CB 3.45Å; V581-L585 PolarHBondContact O-N 2.94Å |
| 582 | I | 94.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 178.5 | -170.3 | 60.8 | 0 | 0 | 0 | 111.6 | L570 S578 V579 L585 M586 L607 F623 F626 L627 | L570-I582 HydrophobicContact CD1-CD1 4.07Å; L570-I582 HydrophobicContact CD2-CB 4.26Å; S578-I582 PolarHBondContact O-N 3.3Å; V579-I582 VanDerWaalsContact O-CG2 3.3Å; V579-I582 WeakPolarHBondContact O-CG2 3.49Å; I582-L585 HydrophobicContact CD1-CD2 4.29Å; I582-L585 PolarHBondContact O-N 3.44Å; I582-M586 WeakPolarHBondContact O-CB 3.36Å; I582-M586 PolarHBondContact O-N 3.07Å; I582-L607 HydrophobicContact CD1-CD2 4.05Å; I582-F623 HydrophobicContact CB-CD2 4.06Å; I582-F623 HydrophobicContact CB-CE2 3.95Å; I582-F623 HydrophobicContact CG1-CE2 4.47Å; I582-F623 HydrophobicContact CG2-CD2 3.58Å; I582-F623 HydrophobicContact CG2-CE2 4.01Å; I582-F623 HydrophobicContact CG2-CG 4.4Å; I582-F626 HydrophobicContact CB-CB 4.42Å; I582-F626 HydrophobicContact CG1-CB 3.98Å; I582-F626 HydrophobicContact CG2-CB 3.68Å; I582-L627 HydrophobicContact CD1-CD1 4.38Å; I582-L627 HydrophobicContact CG1-CB 4.44Å |
| 583 | R | 93.2 | Very high | 88 | Confident | 42 Ų | 42 | 27 Ų | 27 | 16% | 0.158 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.8 | -166.7 | 173.8 | 69.7 | -161.1 | -8.6 | 111.6 | D535 V579 V581 M586 R587 F626 | D535-R583 WeakPolarHBondContact OD2-CD 3.23Å; D535-R583 IonicContact OD2-CZ 2.87Å; D535-R583 IonicContact OD2-NE 3.75Å; D535-R583 PolarHBondContact OD2-NE 3.34Å; D535-R583 IonicContact OD2-NH2 2.81Å; V579-R583 WeakPolarHBondContact O-CB 3.48Å; V579-R583 PolarHBondContact O-N 3.27Å; V581-R583 VanDerWaalsContact C-N 3.34Å; V581-R583 PolarHBondContact O-N 3.45Å; R583-M586 HydrophobicContact CG-CE 4.11Å; R583-R587 WeakPolarHBondContact O-CB 3.3Å; R583-R587 PolarHBondContact O-N 2.89Å; R583-F626 HydrophobicContact CB-CD2 4.34Å; R583-F626 HydrophobicContact CB-CG 4.39Å; R583-F626 HydrophobicContact CG-CD1 4.33Å; R583-F626 HydrophobicContact CG-CE1 4.1Å; R583-F626 HydrophobicContact CG-CE2 4.32Å; R583-F626 HydrophobicContact CG-CZ 4.11Å |
| 584 | A | 95.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A531 I534 L566 Y580 V581 R587 V588 | A531-A584 HydrophobicContact CB-CB 3.84Å; A531-A584 WeakPolarHBondContact O-CB 3.48Å; I534-A584 HydrophobicContact CB-CB 4.35Å; I534-A584 HydrophobicContact CG2-CB 4.32Å; L566-A584 HydrophobicContact CD1-CB 4.48Å; L566-A584 HydrophobicContact CD2-CB 4.17Å; Y580-A584 WeakPolarHBondContact O-CB 3.33Å; Y580-A584 PolarHBondContact O-N 3.07Å; V581-A584 PolarHBondContact O-N 3.04Å; A584-R587 WeakPolarHBondContact O-CB 3.42Å; A584-R587 PolarHBondContact O-N 3.32Å; A584-V588 WeakPolarHBondContact O-CB 3.46Å; A584-V588 VanDerWaalsContact O-CG2 3.25Å; A584-V588 WeakPolarHBondContact O-CG2 3.11Å; A584-V588 PolarHBondContact O-N 3.32Å |
| 585 | L | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.3 | -49.3 | 177.4 | -178.1 | 64.8 | 0 | 0 | 0 | 111.7 | I563 L566 L567 L570 V581 I582 R587 V588 C589 L603 L607 T630 | I563-L585 HydrophobicContact CG2-CD1 4.28Å; L566-L585 HydrophobicContact CB-CB 4.5Å; L566-L585 HydrophobicContact CB-CD1 4.07Å; L566-L585 HydrophobicContact CD1-CB 4.38Å; L566-L585 HydrophobicContact CD1-CD1 4.24Å; L567-L585 HydrophobicContact CD2-CD1 4.43Å; L567-L585 HydrophobicContact CD2-CD2 3.75Å; L570-L585 HydrophobicContact CD1-CD2 3.51Å; V581-L585 WeakPolarHBondContact O-CB 3.45Å; V581-L585 PolarHBondContact O-N 2.94Å; I582-L585 HydrophobicContact CD1-CD2 4.29Å; I582-L585 PolarHBondContact O-N 3.44Å; L585-R587 VanDerWaalsContact C-N 3.32Å; L585-R587 PolarHBondContact O-N 3.03Å; L585-V588 PolarHBondContact O-N 3.25Å; L585-C589 PolarHBondContact O-N 3.4Å; L585-C589 PolarHBondContact O-SG 3.23Å; L585-C589 VanDerWaalsContact O-SG 3.37Å; L585-L603 HydrophobicContact CD1-CD2 3.77Å; L585-L603 HydrophobicContact CD2-CD2 4.07Å; L585-L603 HydrophobicContact CG-CD2 4.17Å; L585-L607 HydrophobicContact CD2-CD2 4.43Å; L585-T630 HydrophobicContact CD2-CG2 4.27Å; L585-T630 HydrophobicContact CG-CG2 4.36Å |
| 586 | M | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.1 | -47.2 | 175.3 | -176.4 | -166.1 | 58 | 0 | 0 | 111.4 | I582 R583 V588 C589 C590 F626 E629 T630 L633 F969 F987 | I582-M586 WeakPolarHBondContact O-CB 3.36Å; I582-M586 PolarHBondContact O-N 3.07Å; R583-M586 HydrophobicContact CG-CE 4.11Å; M586-V588 PolarHBondContact O-N 3.45Å; M586-C589 PolarHBondContact O-N 2.89Å; M586-C590 VanDerWaalsContact O-CB 3.31Å; M586-C590 WeakPolarHBondContact O-CB 3.2Å; M586-C590 PolarHBondContact O-N 3.49Å; M586-F626 HydrophobicContact CE-CD1 3.5Å; M586-F626 HydrophobicContact CE-CE1 3.69Å; M586-F626 HydrophobicContact SD-CD1 3.65Å; M586-F626 HydrophobicContact SD-CE1 4.27Å; M586-E629 HydrophobicContact CG-CB 4.44Å; M586-E629 HydrophobicContact SD-CB 3.55Å; M586-E629 VanDerWaalsContact SD-CB 3.55Å; M586-E629 HydrophobicContact SD-CG 4.23Å; M586-T630 WeakPolarHBondContact CB-OG1 3.42Å; M586-L633 HydrophobicContact CG-CD2 4.4Å; M586-L633 WeakPolarHBondContact O-CD2 3.24Å; M586-F969 HydrophobicContact CE-CD1 3.32Å; M586-F969 HydrophobicContact CE-CE1 3.05Å; M586-F969 HydrophobicContact CE-CG 4.39Å; M586-F969 HydrophobicContact CE-CZ 3.96Å; M586-F969 HydrophobicContact CG-CE1 4.34Å; M586-F969 HydrophobicContact SD-CD1 4.04Å; M586-F969 HydrophobicContact SD-CE1 3.48Å; M586-F969 WeakPolarHBondContact SD-CE1 3.4Å; M586-F987 HydrophobicContact CG-CE2 4.15Å; M586-F987 HydrophobicContact SD-CE2 4.16Å |
| 587 | R | 93.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 21 Ų | 21 | 6% | 0.064 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 177.6 | -178.6 | 70 | 60.5 | -166.6 | -11.6 | 111.7 | D535 L538 R583 A584 L585 C590 C591 F969 | D535-R587 IonicContact OD1-CZ 3Å; D535-R587 IonicContact OD1-NE 3.2Å; D535-R587 PolarHBondContact OD1-NE 3.38Å; D535-R587 IonicContact OD1-NH2 3.05Å; D535-R587 PolarHBondContact OD1-NH2 2.72Å; D535-R587 VanDerWaalsContact OD1-NH2 3.15Å; L538-R587 HydrophobicContact CB-CG 3.5Å; L538-R587 VanDerWaalsContact CB-CG 3.5Å; L538-R587 HydrophobicContact CD1-CG 4Å; L538-R587 HydrophobicContact CG-CG 4.4Å; R583-R587 WeakPolarHBondContact O-CB 3.3Å; R583-R587 PolarHBondContact O-N 2.89Å; A584-R587 WeakPolarHBondContact O-CB 3.42Å; A584-R587 PolarHBondContact O-N 3.32Å; L585-R587 VanDerWaalsContact C-N 3.32Å; L585-R587 PolarHBondContact O-N 3.03Å; R587-C590 WeakPolarHBondContact O-CB 3.39Å; R587-C590 PolarHBondContact O-N 3.49Å; R587-C591 WeakPolarHBondContact O-CB 3.39Å; R587-C591 PolarHBondContact O-N 3.25Å; R587-C591 PolarHBondContact O-SG 3.05Å; R587-C591 VanDerWaalsContact O-SG 3.36Å; R587-F969 VanDerWaalsContact CZ-CD2 3.47Å |
| 588 | V | 95.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 178.5 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | I534 L538 L562 I563 L566 A584 L585 M586 C590 C591 L592 | I534-V588 HydrophobicContact CG2-CG2 3.5Å; L538-V588 HydrophobicContact CD1-CG2 3.75Å; L562-V588 HydrophobicContact CD2-CG1 4.07Å; L562-V588 HydrophobicContact CD2-CG2 3.81Å; L562-V588 HydrophobicContact CG-CG1 4.36Å; L562-V588 HydrophobicContact CG-CG2 4.27Å; I563-V588 HydrophobicContact CD1-CG1 4.47Å; I563-V588 HydrophobicContact CG1-CG1 3.83Å; L566-V588 HydrophobicContact CD1-CG2 4.04Å; A584-V588 WeakPolarHBondContact O-CB 3.46Å; A584-V588 VanDerWaalsContact O-CG2 3.25Å; A584-V588 WeakPolarHBondContact O-CG2 3.11Å; A584-V588 PolarHBondContact O-N 3.32Å; L585-V588 PolarHBondContact O-N 3.25Å; M586-V588 PolarHBondContact O-N 3.45Å; V588-C590 VanDerWaalsContact C-N 3.29Å; V588-C590 PolarHBondContact O-N 3.21Å; V588-C591 PolarHBondContact O-N 2.92Å; V588-L592 HydrophobicContact CG1-CD1 3.54Å; V588-L592 HydrophobicContact CG1-CG 4.23Å; V588-L592 VanDerWaalsContact O-CB 3.24Å; V588-L592 WeakPolarHBondContact O-CB 3.33Å; V588-L592 VanDerWaalsContact O-CG 3.27Å; V588-L592 WeakPolarHBondContact O-CG 3.49Å; V588-L592 PolarHBondContact O-N 2.88Å |
| 589 | C | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 175.7 | -68.5 | 0 | 0 | 0 | 0 | 112 | L585 M586 Q593 L633 | L585-C589 PolarHBondContact O-N 3.4Å; L585-C589 PolarHBondContact O-SG 3.23Å; L585-C589 VanDerWaalsContact O-SG 3.37Å; M586-C589 PolarHBondContact O-N 2.89Å; C589-Q593 PolarHBondContact O-N 3.33Å; C589-L633 HydrophobicContact CB-CD2 3.65Å; C589-L633 HydrophobicContact CB-CG 4.42Å |
| 590 | C | 90.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | -178.5 | -162.5 | 0 | 0 | 0 | 0 | 111.2 | M586 R587 V588 Q593 L633 E967 F987 | M586-C590 VanDerWaalsContact O-CB 3.31Å; M586-C590 WeakPolarHBondContact O-CB 3.2Å; M586-C590 PolarHBondContact O-N 3.49Å; R587-C590 WeakPolarHBondContact O-CB 3.39Å; R587-C590 PolarHBondContact O-N 3.49Å; V588-C590 VanDerWaalsContact C-N 3.29Å; V588-C590 PolarHBondContact O-N 3.21Å; C590-Q593 VanDerWaalsContact O-CG 3.24Å; C590-Q593 WeakPolarHBondContact O-CG 3.38Å; C590-L633 HydrophobicContact CB-CD2 3.87Å; C590-E967 PolarHBondContact SG-OE1 3.32Å; C590-E967 PolarHBondContact SG-OE2 3.01Å; C590-E967 VanDerWaalsContact SG-OE2 3.35Å; C590-F987 HydrophobicContact CB-CZ 4.4Å |
| 591 | C | 91.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 16% | 0.162 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.1 | -36.9 | -179.6 | -65.9 | 0 | 0 | 0 | 0 | 113.1 | L538 K553 R587 V588 | L538-C591 HydrophobicContact CD1-CB 4.39Å; L538-C591 HydrophobicContact CD2-CB 4.3Å; K553-C591 VanDerWaalsContact CB-O 3.24Å; K553-C591 WeakPolarHBondContact CB-O 3.39Å; R587-C591 WeakPolarHBondContact O-CB 3.39Å; R587-C591 PolarHBondContact O-N 3.25Å; R587-C591 PolarHBondContact O-SG 3.05Å; R587-C591 VanDerWaalsContact O-SG 3.36Å; V588-C591 PolarHBondContact O-N 2.92Å |
| 592 | L | 93.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.3 | -25.3 | -179.1 | -72.5 | -180 | 0 | 0 | 0 | 113.5 | V556 P559 I563 V588 E594 R595 C596 | V556-L592 HydrophobicContact CB-CD2 3.98Å; V556-L592 HydrophobicContact CG1-CD2 4.12Å; V556-L592 HydrophobicContact CG2-CD2 4.09Å; P559-L592 HydrophobicContact CB-CD1 3.49Å; P559-L592 VanDerWaalsContact CB-CD1 3.49Å; P559-L592 HydrophobicContact CB-CD2 3.97Å; P559-L592 HydrophobicContact CB-CG 4.39Å; I563-L592 HydrophobicContact CD1-CD1 4.09Å; V588-L592 HydrophobicContact CG1-CD1 3.54Å; V588-L592 HydrophobicContact CG1-CG 4.23Å; V588-L592 VanDerWaalsContact O-CB 3.24Å; V588-L592 WeakPolarHBondContact O-CB 3.33Å; V588-L592 VanDerWaalsContact O-CG 3.27Å; V588-L592 WeakPolarHBondContact O-CG 3.49Å; V588-L592 PolarHBondContact O-N 2.88Å; L592-E594 PolarHBondContact O-N 3.24Å; L592-R595 HydrophobicContact CB-CB 4.17Å; L592-R595 HydrophobicContact CD2-CB 4.38Å; L592-R595 VanDerWaalsContact O-CB 3.3Å; L592-R595 WeakPolarHBondContact O-CB 3.43Å; L592-R595 PolarHBondContact O-N 3Å; L592-C596 HydrophobicContact CB-CB 4.33Å |
| 593 | Q | 90.5 | Very high | 93.9 | Very high | 35 Ų | 35 | 30 Ų | 30 | 16% | 0.164 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | 51 | -123.4 | 178.9 | -59.6 | 178.4 | -24.9 | 0 | 0 | 111.3 | C589 C590 R595 C596 L637 | C589-Q593 PolarHBondContact O-N 3.33Å; C590-Q593 VanDerWaalsContact O-CG 3.24Å; C590-Q593 WeakPolarHBondContact O-CG 3.38Å; Q593-R595 PolarHBondContact O-N 3.39Å; Q593-R595 VanDerWaalsContact O-N 3.08Å; Q593-C596 PolarHBondContact O-N 3.15Å; Q593-C596 PolarHBondContact O-SG 3.41Å; Q593-L637 HydrophobicContact CB-CD2 4.41Å |
| 594 | E | 90.4 | Very high | 94 | Very high | 96 Ų | 96 | 29 Ų | 29 | 45% | 0.449 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -58.7 | -22.8 | 180 | 72 | -71.5 | 166.8 | 0 | 0 | 113.9 | K553 L592 C596 L597 | K553-E594 WeakPolarHBondContact CE-OE1 3.36Å; K553-E594 IonicContact NZ-OE1 2.67Å; K553-E594 PolarHBondContact NZ-OE1 3.42Å; K553-E594 IonicContact NZ-OE2 2.81Å; K553-E594 PolarHBondContact NZ-OE2 3.49Å; L592-E594 PolarHBondContact O-N 3.24Å; E594-C596 PolarHBondContact O-N 3.2Å; E594-L597 HydrophobicContact CB-CD1 4.09Å; E594-L597 WeakPolarHBondContact O-CB 3.45Å; E594-L597 VanDerWaalsContact O-CG 3.31Å; E594-L597 WeakPolarHBondContact O-CG 3.48Å; E594-L597 PolarHBondContact O-N 2.88Å |
| 595 | R | 93.7 | Very high | 94 | Very high | 73 Ų | 73 | 32.8 Ų | 32.8 | 28% | 0.275 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -68.8 | -13.9 | 176.8 | -59.3 | -174.2 | 69.2 | -158.3 | 0.5 | 113.2 | K553 V556 L592 Q593 | K553-R595 PolarHBondContact O-NH1 3Å; V556-R595 PolarHBondContact O-NH1 3.37Å; V556-R595 PolarHBondContact O-NH2 3.22Å; V556-R595 VanDerWaalsContact O-NH2 3.1Å; L592-R595 HydrophobicContact CB-CB 4.17Å; L592-R595 HydrophobicContact CD2-CB 4.38Å; L592-R595 VanDerWaalsContact O-CB 3.3Å; L592-R595 WeakPolarHBondContact O-CB 3.43Å; L592-R595 PolarHBondContact O-N 3Å; Q593-R595 PolarHBondContact O-N 3.39Å; Q593-R595 VanDerWaalsContact O-N 3.08Å |
| 596 | C | 92.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -85.7 | -14.7 | 175.5 | 85 | 0 | 0 | 0 | 0 | 113.3 | I563 L592 Q593 E594 P598 S599 M600 L637 | I563-C596 HydrophobicContact CD1-CB 3.97Å; L592-C596 HydrophobicContact CB-CB 4.33Å; Q593-C596 PolarHBondContact O-N 3.15Å; Q593-C596 PolarHBondContact O-SG 3.41Å; E594-C596 PolarHBondContact O-N 3.2Å; C596-P598 VanDerWaalsContact C-CD 3.41Å; C596-P598 VanDerWaalsContact C-N 3.35Å; C596-S599 PolarHBondContact O-N 2.72Å; C596-M600 PolarHBondContact O-N 3.12Å; C596-L637 VanDerWaalsContact SG-CD1 3.58Å |
| 597 | L | 94.1 | Very high | 94 | Very high | 49 Ų | 49 | 33.5 Ų | 33.5 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -55.5 | -38.5 | -175.1 | -66 | 172.6 | 0 | 0 | 0 | 114 | E594 S599 M600 T641 | E594-L597 HydrophobicContact CB-CD1 4.09Å; E594-L597 WeakPolarHBondContact O-CB 3.45Å; E594-L597 VanDerWaalsContact O-CG 3.31Å; E594-L597 WeakPolarHBondContact O-CG 3.48Å; E594-L597 PolarHBondContact O-N 2.88Å; L597-S599 PolarHBondContact O-N 3.47Å; L597-S599 VanDerWaalsContact O-N 3.16Å; L597-M600 HydrophobicContact CD2-CE 4.13Å; L597-M600 WeakPolarHBondContact O-CB 3.31Å; L597-M600 PolarHBondContact O-N 2.86Å; L597-T641 HydrophobicContact CD1-CG2 3.58Å |
| 598 | P | 95.5 | Very high | 94.1 | Very high | 88 Ų | 88 | 34.7 Ų | 34.7 | 57% | 0.571 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -59.1 | -25.9 | 175.8 | -26.6 | 36.9 | 0 | 0 | 0 | 114.6 | Q560 C596 | Q560-P598 HydrophobicContact CG-CB 4.45Å; Q560-P598 VanDerWaalsContact NE2-CB 3.27Å; C596-P598 VanDerWaalsContact C-CD 3.41Å; C596-P598 VanDerWaalsContact C-N 3.35Å |
| 599 | S | 95.7 | Very high | 94 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -96.4 | 3.4 | 178.8 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | C596 L597 T601 S602 L603 | C596-S599 PolarHBondContact O-N 2.72Å; L597-S599 PolarHBondContact O-N 3.47Å; L597-S599 VanDerWaalsContact O-N 3.16Å; S599-T601 VanDerWaalsContact C-N 3.33Å; S599-T601 PolarHBondContact O-N 3.01Å; S599-S602 PolarHBondContact O-N 2.84Å; S599-L603 WeakPolarHBondContact O-CG 3.2Å; S599-L603 PolarHBondContact O-N 3.44Å |
| 600 | M | 94.7 | Very high | 93.9 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.069 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -38.1 | -170.4 | -169.9 | 58.9 | 66.2 | 0 | 0 | 113.1 | C596 L597 L603 V604 C634 L637 T638 F649 | C596-M600 PolarHBondContact O-N 3.12Å; L597-M600 HydrophobicContact CD2-CE 4.13Å; L597-M600 WeakPolarHBondContact O-CB 3.31Å; L597-M600 PolarHBondContact O-N 2.86Å; M600-L603 PolarHBondContact O-N 3.3Å; M600-L603 HydrophobicContact SD-CD1 4.45Å; M600-V604 HydrophobicContact CG-CG2 4.22Å; M600-V604 WeakPolarHBondContact O-CB 3.41Å; M600-V604 WeakPolarHBondContact O-CG2 3.13Å; M600-V604 PolarHBondContact O-N 3.05Å; M600-V604 HydrophobicContact SD-CG2 3.98Å; M600-C634 HydrophobicContact CE-CB 4.29Å; M600-C634 HydrophobicContact SD-CB 3.61Å; M600-L637 HydrophobicContact CE-CB 4.43Å; M600-T638 WeakPolarHBondContact CE-OG1 3.27Å; M600-T638 WeakPolarHBondContact CG-OG1 3.47Å; M600-F649 HydrophobicContact SD-CZ 4.38Å |
| 601 | T | 95.2 | Very high | 94.1 | Very high | 120 Ų | 120 | 37.3 Ų | 37.3 | 74% | 0.736 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.7 | -46.2 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | S599 S605 | S599-T601 VanDerWaalsContact C-N 3.33Å; S599-T601 PolarHBondContact O-N 3.01Å; T601-S605 VanDerWaalsContact O-CB 3.3Å; T601-S605 WeakPolarHBondContact O-CB 3.32Å; T601-S605 PolarHBondContact O-N 3.17Å |
| 602 | S | 95.3 | Very high | 94.2 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 41% | 0.413 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 177.6 | -57 | 0 | 0 | 0 | 0 | 112.1 | S599 T606 | S599-S602 PolarHBondContact O-N 2.84Å; S602-T606 WeakPolarHBondContact O-CB 3.44Å; S602-T606 PolarHBondContact O-N 3.21Å; S602-T606 PolarHBondContact O-OG1 2.91Å |
| 603 | L | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -58.5 | 174 | -79.2 | 162.4 | 0 | 0 | 0 | 110.6 | I563 L567 L585 S599 M600 S605 T606 L607 | I563-L603 HydrophobicContact CG2-CD1 4.28Å; I563-L603 HydrophobicContact CG2-CD2 3.81Å; I563-L603 HydrophobicContact CG2-CG 3.92Å; L567-L603 HydrophobicContact CD1-CD2 4.29Å; L567-L603 HydrophobicContact CD1-CG 4.28Å; L567-L603 HydrophobicContact CD2-CD2 4.08Å; L567-L603 HydrophobicContact CG-CD2 4.44Å; L585-L603 HydrophobicContact CD1-CD2 3.77Å; L585-L603 HydrophobicContact CD2-CD2 4.07Å; L585-L603 HydrophobicContact CG-CD2 4.17Å; S599-L603 WeakPolarHBondContact O-CG 3.2Å; S599-L603 PolarHBondContact O-N 3.44Å; M600-L603 PolarHBondContact O-N 3.3Å; M600-L603 HydrophobicContact SD-CD1 4.45Å; L603-S605 VanDerWaalsContact C-N 3.35Å; L603-S605 PolarHBondContact O-N 2.9Å; L603-T606 PolarHBondContact O-N 3.31Å; L603-L607 WeakPolarHBondContact O-CB 3.36Å; L603-L607 WeakPolarHBondContact O-CG 3.34Å; L603-L607 PolarHBondContact O-N 3.11Å |
| 604 | V | 95.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | -176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | M600 T606 L607 L608 F649 F653 | M600-V604 HydrophobicContact CG-CG2 4.22Å; M600-V604 WeakPolarHBondContact O-CB 3.41Å; M600-V604 WeakPolarHBondContact O-CG2 3.13Å; M600-V604 PolarHBondContact O-N 3.05Å; M600-V604 HydrophobicContact SD-CG2 3.98Å; V604-T606 PolarHBondContact O-N 3.34Å; V604-L607 PolarHBondContact O-N 3.43Å; V604-L608 VanDerWaalsContact O-CB 3.28Å; V604-L608 WeakPolarHBondContact O-CB 3.35Å; V604-L608 PolarHBondContact O-N 2.89Å; V604-F649 HydrophobicContact CG2-CD1 4.4Å; V604-F649 HydrophobicContact CG2-CE1 3.53Å; V604-F649 HydrophobicContact CG2-CZ 3.99Å; V604-F653 HydrophobicContact CG1-CE2 3.82Å; V604-F653 HydrophobicContact CG1-CZ 4.19Å |
| 605 | S | 95.4 | Very high | 94.1 | Very high | 79 Ų | 79 | 37.1 Ų | 37.1 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -61.1 | -44.4 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | T601 L603 S609 | T601-S605 VanDerWaalsContact O-CB 3.3Å; T601-S605 WeakPolarHBondContact O-CB 3.32Å; T601-S605 PolarHBondContact O-N 3.17Å; L603-S605 VanDerWaalsContact C-N 3.35Å; L603-S605 PolarHBondContact O-N 2.9Å; S605-S609 WeakPolarHBondContact O-CB 3.44Å; S605-S609 PolarHBondContact O-N 3.45Å; S605-S609 VanDerWaalsContact O-N 3.1Å |
| 606 | T | 94.8 | Very high | 93.9 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.2 | -47.4 | 178.1 | -61 | 0 | 0 | 0 | 0 | 111.6 | L567 L570 N571 S602 L603 V604 L608 S609 R610 | L567-T606 HydrophobicContact CD2-CG2 3.71Å; L570-T606 HydrophobicContact CB-CG2 4.44Å; N571-T606 WeakPolarHBondContact ND2-CG2 3.32Å; N571-T606 PolarHBondContact ND2-OG1 2.84Å; N571-T606 VanDerWaalsContact ND2-OG1 3.14Å; N571-T606 VanDerWaalsContact OD1-CG2 3.29Å; N571-T606 WeakPolarHBondContact OD1-CG2 3.41Å; S602-T606 WeakPolarHBondContact O-CB 3.44Å; S602-T606 PolarHBondContact O-N 3.21Å; S602-T606 PolarHBondContact O-OG1 2.91Å; L603-T606 PolarHBondContact O-N 3.31Å; V604-T606 PolarHBondContact O-N 3.34Å; T606-L608 VanDerWaalsContact C-N 3.33Å; T606-L608 PolarHBondContact O-N 3.49Å; T606-S609 WeakPolarHBondContact O-CB 3.14Å; T606-S609 PolarHBondContact O-N 2.78Å; T606-R610 HydrophobicContact CG2-CG 4.45Å; T606-R610 WeakPolarHBondContact O-CG 3.4Å; T606-R610 PolarHBondContact O-N 3.16Å |
| 607 | L | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | -179.9 | -65.3 | 167.7 | 0 | 0 | 0 | 111.8 | I582 L585 L603 V604 R610 L611 L627 T630 I631 | I582-L607 HydrophobicContact CD1-CD2 4.05Å; L585-L607 HydrophobicContact CD2-CD2 4.43Å; L603-L607 WeakPolarHBondContact O-CB 3.36Å; L603-L607 WeakPolarHBondContact O-CG 3.34Å; L603-L607 PolarHBondContact O-N 3.11Å; V604-L607 PolarHBondContact O-N 3.43Å; L607-R610 PolarHBondContact O-N 3.49Å; L607-L611 WeakPolarHBondContact O-CB 3.31Å; L607-L611 PolarHBondContact O-N 2.7Å; L607-L627 HydrophobicContact CB-CD1 4.38Å; L607-L627 HydrophobicContact CD2-CD1 3.62Å; L607-T630 HydrophobicContact CD1-CG2 3.82Å; L607-T630 HydrophobicContact CD2-CG2 3.9Å; L607-I631 HydrophobicContact CB-CD1 4.44Å; L607-I631 HydrophobicContact CB-CG1 3.9Å; L607-I631 HydrophobicContact CD1-CG1 4.1Å; L607-I631 HydrophobicContact CG-CG1 4.43Å |
| 608 | L | 95.7 | Very high | 93.3 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 175.2 | 178.7 | 62.6 | 0 | 0 | 0 | 111.9 | V604 T606 R610 L611 T612 A652 F653 I656 | V604-L608 VanDerWaalsContact O-CB 3.28Å; V604-L608 WeakPolarHBondContact O-CB 3.35Å; V604-L608 PolarHBondContact O-N 2.89Å; T606-L608 VanDerWaalsContact C-N 3.33Å; T606-L608 PolarHBondContact O-N 3.49Å; L608-R610 PolarHBondContact O-N 3.29Å; L608-L611 PolarHBondContact O-N 3Å; L608-T612 WeakPolarHBondContact O-CB 3.5Å; L608-T612 PolarHBondContact O-N 3.13Å; L608-T612 PolarHBondContact O-OG1 2.88Å; L608-A652 HydrophobicContact CD2-CB 4.26Å; L608-F653 HydrophobicContact CB-CE1 4.14Å; L608-F653 HydrophobicContact CB-CZ 4.34Å; L608-F653 HydrophobicContact CD1-CD1 3.87Å; L608-F653 HydrophobicContact CD1-CE1 3.96Å; L608-I656 HydrophobicContact CD1-CB 4.39Å; L608-I656 HydrophobicContact CD1-CG2 3.64Å |
| 609 | S | 93.8 | Very high | 92.7 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | S605 T606 T612 Q613 | S605-S609 WeakPolarHBondContact O-CB 3.44Å; S605-S609 PolarHBondContact O-N 3.45Å; S605-S609 VanDerWaalsContact O-N 3.1Å; T606-S609 WeakPolarHBondContact O-CB 3.14Å; T606-S609 PolarHBondContact O-N 2.78Å; S609-T612 WeakPolarHBondContact O-CB 3.45Å; S609-T612 PolarHBondContact O-N 3.34Å; S609-Q613 WeakPolarHBondContact O-CG 3.4Å; S609-Q613 PolarHBondContact O-N 3.43Å |
| 610 | R | 93.2 | Very high | 92.3 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 5% | 0.045 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 178 | -67.9 | -50.5 | -55.9 | -160.2 | 10.5 | 112.7 | L570 T606 L607 L608 T612 Q613 V614 L627 | L570-R610 VanDerWaalsContact O-CD 3.3Å; L570-R610 WeakPolarHBondContact O-CD 3.4Å; L570-R610 PolarHBondContact O-NH1 3.33Å; T606-R610 HydrophobicContact CG2-CG 4.45Å; T606-R610 WeakPolarHBondContact O-CG 3.4Å; T606-R610 PolarHBondContact O-N 3.16Å; L607-R610 PolarHBondContact O-N 3.49Å; L608-R610 PolarHBondContact O-N 3.29Å; R610-T612 VanDerWaalsContact C-N 3.27Å; R610-T612 PolarHBondContact O-N 3.19Å; R610-Q613 PolarHBondContact O-N 2.81Å; R610-Q613 VanDerWaalsContact O-N 3.15Å; R610-V614 WeakPolarHBondContact O-CB 3.29Å; R610-V614 WeakPolarHBondContact O-CG2 3.25Å; R610-V614 PolarHBondContact O-N 3.25Å; R610-L627 HydrophobicContact CB-CD1 4.31Å |
| 611 | L | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 175.4 | 177.8 | 62.5 | 0 | 0 | 0 | 111.3 | L607 L608 Q613 V614 A615 L627 F628 I631 F653 I656 F657 I660 F668 | L607-L611 WeakPolarHBondContact O-CB 3.31Å; L607-L611 PolarHBondContact O-N 2.7Å; L608-L611 PolarHBondContact O-N 3Å; L611-Q613 VanDerWaalsContact C-N 3.32Å; L611-Q613 PolarHBondContact O-N 3.02Å; L611-V614 PolarHBondContact O-N 3.33Å; L611-A615 WeakPolarHBondContact O-CB 3.47Å; L611-A615 PolarHBondContact O-N 3.5Å; L611-L627 HydrophobicContact CB-CD2 4.21Å; L611-L627 HydrophobicContact CD1-CD2 4.36Å; L611-F628 HydrophobicContact CD1-CE1 4.01Å; L611-F628 HydrophobicContact CD1-CE2 4.12Å; L611-F628 HydrophobicContact CD1-CZ 3.55Å; L611-I631 HydrophobicContact CD2-CD1 4.21Å; L611-F653 HydrophobicContact CD2-CD1 4.08Å; L611-F653 HydrophobicContact CD2-CE1 4.22Å; L611-I656 HydrophobicContact CD2-CG1 4.4Å; L611-I656 HydrophobicContact CD2-CG2 4.06Å; L611-I656 HydrophobicContact CG-CG1 4.37Å; L611-F657 HydrophobicContact CD2-CD1 4.44Å; L611-F657 HydrophobicContact CD2-CE1 3.87Å; L611-I660 HydrophobicContact CD1-CD1 4.17Å; L611-I660 HydrophobicContact CG-CD1 4.39Å; L611-F668 HydrophobicContact CD1-CD2 4.26Å; L611-F668 HydrophobicContact CD1-CE2 4.1Å |
| 612 | T | 93.3 | Very high | 91.7 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 178.3 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | L608 S609 R610 I656 | L608-T612 WeakPolarHBondContact O-CB 3.5Å; L608-T612 PolarHBondContact O-N 3.13Å; L608-T612 PolarHBondContact O-OG1 2.88Å; S609-T612 WeakPolarHBondContact O-CB 3.45Å; S609-T612 PolarHBondContact O-N 3.34Å; R610-T612 VanDerWaalsContact C-N 3.27Å; R610-T612 PolarHBondContact O-N 3.19Å; T612-I656 HydrophobicContact CG2-CD1 4.27Å |
| 613 | Q | 90.1 | Very high | 91.6 | Very high | 87 Ų | 87 | 45.8 Ų | 45.8 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.5 | -49.8 | 176.6 | -71.3 | 175.5 | 2.3 | 0 | 0 | 111.5 | S609 R610 L611 A615 K616 | S609-Q613 WeakPolarHBondContact O-CG 3.4Å; S609-Q613 PolarHBondContact O-N 3.43Å; R610-Q613 PolarHBondContact O-N 2.81Å; R610-Q613 VanDerWaalsContact O-N 3.15Å; L611-Q613 VanDerWaalsContact C-N 3.32Å; L611-Q613 PolarHBondContact O-N 3.02Å; Q613-A615 PolarHBondContact O-N 3.48Å; Q613-K616 WeakPolarHBondContact O-CB 3.47Å; Q613-K616 PolarHBondContact O-N 3.38Å |
| 614 | V | 90.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.3 | -31.4 | -173.1 | -176 | 0 | 0 | 0 | 0 | 111.3 | E577 R610 L611 K616 N617 P618 F623 N624 F668 | E577-V614 HydrophobicContact CG-CG2 4.14Å; R610-V614 WeakPolarHBondContact O-CB 3.29Å; R610-V614 WeakPolarHBondContact O-CG2 3.25Å; R610-V614 PolarHBondContact O-N 3.25Å; L611-V614 PolarHBondContact O-N 3.33Å; V614-K616 PolarHBondContact O-N 2.83Å; V614-N617 CarbonylContact O-C 3.53Å; V614-N617 PolarHBondContact O-N 3.34Å; V614-P618 WeakPolarHBondContact O-CD 3.45Å; V614-P618 VanDerWaalsContact O-N 3.09Å; V614-F623 HydrophobicContact CG2-CD1 4.46Å; V614-F623 HydrophobicContact CG2-CE1 3.76Å; V614-N624 WeakPolarHBondContact CG1-OD1 3.36Å; V614-F668 HydrophobicContact CB-CZ 4.46Å; V614-F668 HydrophobicContact CG1-CE2 4.37Å; V614-F668 HydrophobicContact CG1-CZ 3.79Å |
| 615 | A | 91.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L611 Q613 I660 F668 | L611-A615 WeakPolarHBondContact O-CB 3.47Å; L611-A615 PolarHBondContact O-N 3.5Å; Q613-A615 PolarHBondContact O-N 3.48Å; A615-I660 HydrophobicContact CB-CD1 4.22Å; A615-I660 HydrophobicContact CB-CG1 3.98Å; A615-F668 HydrophobicContact CB-CD2 4.07Å; A615-F668 HydrophobicContact CB-CE2 3.93Å |
| 616 | K | 90.3 | Very high | 91.2 | Very high | 164 Ų | 164 | 42.5 Ų | 42.5 | 71% | 0.713 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -28 | 175 | -61.1 | 175.6 | -178.4 | 178 | 0 | 112.9 | Q613 V614 | Q613-K616 WeakPolarHBondContact O-CB 3.47Å; Q613-K616 PolarHBondContact O-N 3.38Å; V614-K616 PolarHBondContact O-N 2.83Å |
| 617 | N | 86.4 | Confident | 91.3 | Very high | 117 Ų | 117 | 42 Ų | 42 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -159.2 | 80.2 | 179.6 | -175.5 | 40 | 0 | 0 | 0 | 110.9 | V614 S619 | V614-N617 CarbonylContact O-C 3.53Å; V614-N617 PolarHBondContact O-N 3.34Å; N617-S619 PolarHBondContact O-N 2.88Å |
| 618 | P | 87.3 | Confident | 91.3 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 21% | 0.208 | 23% | 0.227 | C | C | . | . | trans | -64.2 | 105.7 | 180 | -20.3 | 32.4 | 0 | 0 | 0 | 111.2 | V614 V665 E667 F668 | V614-P618 WeakPolarHBondContact O-CD 3.45Å; V614-P618 VanDerWaalsContact O-N 3.09Å; P618-V665 HydrophobicContact CG-CG1 3.58Å; P618-E667 HydrophobicContact CB-CB 4.32Å; P618-E667 HydrophobicContact CB-CG 4.32Å; P618-F668 HydrophobicContact CB-CE1 3.83Å; P618-F668 HydrophobicContact CB-CZ 3.83Å; P618-F668 HydrophobicContact CG-CE1 4.1Å; P618-F668 HydrophobicContact CG-CE2 4.13Å; P618-F668 HydrophobicContact CG-CZ 3.89Å | ||
| 619 | S | 83 | Confident | 91.2 | Very high | 69 Ų | 69 | 39.9 Ų | 39.9 | 48% | 0.483 | 22% | 0.216 | S | C | . | . | trans | -111.5 | -38.2 | -172 | 80.9 | 0 | 0 | 0 | 0 | 114.5 | E577 N617 P621 | E577-S619 PolarHBondContact OE2-OG 3.1Å; N617-S619 PolarHBondContact O-N 2.88Å; S619-P621 WeakPolarHBondContact O-CD 3.32Å | ||
| 620 | K | 87.1 | Confident | 91.3 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | trans | -109.9 | 99.7 | -178.4 | -64.6 | -166.8 | -177.7 | -176.4 | 0 | 111.5 | D374 E577 D622 F623 N624 | D374-K620 IonicContact OD2-NZ 2.6Å; D374-K620 PolarHBondContact OD2-NZ 2.95Å; E577-K620 HydrophobicContact CB-CB 4.29Å; E577-K620 HydrophobicContact CB-CD 3.88Å; E577-K620 HydrophobicContact CB-CG 4.29Å; E577-K620 WeakPolarHBondContact O-CD 3.38Å; E577-K620 PolarHBondContact OE2-N 2.99Å; K620-D622 PolarHBondContact O-N 3.34Å; K620-F623 HydrophobicContact CB-CB 3.95Å; K620-F623 PolarHBondContact O-N 2.92Å; K620-N624 PolarHBondContact O-N 2.88Å; K620-N624 VanDerWaalsContact O-N 3.07Å; K620-N624 PolarHBondContact O-ND2 3.01Å; K620-N624 PolarHBondContact O-OD1 3.33Å | ||
| 621 | P | 89.5 | Confident | 91.5 | Very high | 84 Ų | 84 | 37 Ų | 37 | 55% | 0.545 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.3 | -38.3 | -172.7 | 22.7 | -33.1 | 0 | 0 | 0 | 114.1 | S619 N624 H625 | S619-P621 WeakPolarHBondContact O-CD 3.32Å; P621-N624 WeakPolarHBondContact O-CB 3.47Å; P621-N624 PolarHBondContact O-N 3.12Å; P621-H625 PolarHBondContact O-N 3.49Å |
| 622 | D | 87.6 | Confident | 91.5 | Very high | 58 Ų | 58 | 37 Ų | 37 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 178.8 | -62 | -33.5 | 0 | 0 | 0 | 111.8 | V579 K620 N624 H625 F626 | V579-D622 HydrophobicContact CG1-CB 3.87Å; V579-D622 HydrophobicContact CG2-CB 3.92Å; K620-D622 PolarHBondContact O-N 3.34Å; D622-N624 VanDerWaalsContact C-N 3.31Å; D622-N624 PolarHBondContact O-N 3.12Å; D622-H625 PolarHBondContact O-N 3.46Å; D622-F626 WeakPolarHBondContact O-CD2 3.32Å; D622-F626 PolarHBondContact O-N 3.06Å |
| 623 | F | 92.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 174.4 | 174.1 | -92.2 | 0 | 0 | 0 | 110.4 | L570 E577 V579 I582 V614 K620 H625 F626 L627 | L570-F623 HydrophobicContact CD2-CE2 3.94Å; E577-F623 HydrophobicContact CB-CB 4.15Å; E577-F623 HydrophobicContact CB-CD1 3.69Å; E577-F623 HydrophobicContact CB-CD2 3.99Å; E577-F623 HydrophobicContact CB-CE1 4.07Å; E577-F623 HydrophobicContact CB-CE2 4.33Å; E577-F623 HydrophobicContact CB-CG 3.65Å; E577-F623 HydrophobicContact CB-CZ 4.37Å; E577-F623 HydrophobicContact CG-CD1 3.81Å; E577-F623 HydrophobicContact CG-CE1 3.85Å; E577-F623 HydrophobicContact CG-CG 4.3Å; E577-F623 HydrophobicContact CG-CZ 4.35Å; E577-F623 WeakPolarHBondContact O-CD2 3.24Å; V579-F623 HydrophobicContact CG2-CB 4.05Å; I582-F623 HydrophobicContact CB-CD2 4.06Å; I582-F623 HydrophobicContact CB-CE2 3.95Å; I582-F623 HydrophobicContact CG1-CE2 4.47Å; I582-F623 HydrophobicContact CG2-CD2 3.58Å; I582-F623 HydrophobicContact CG2-CE2 4.01Å; I582-F623 HydrophobicContact CG2-CG 4.4Å; V614-F623 HydrophobicContact CG2-CD1 4.46Å; V614-F623 HydrophobicContact CG2-CE1 3.76Å; K620-F623 HydrophobicContact CB-CB 3.95Å; K620-F623 PolarHBondContact O-N 2.92Å; F623-H625 VanDerWaalsContact C-N 3.34Å; F623-H625 PolarHBondContact O-N 3.37Å; F623-F626 PolarHBondContact O-N 3.22Å; F623-L627 HydrophobicContact CE1-CB 4.47Å; F623-L627 HydrophobicContact CE1-CD2 4.14Å; F623-L627 WeakPolarHBondContact O-CB 3.34Å; F623-L627 PolarHBondContact O-N 3.45Å |
| 624 | N | 93.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 179.4 | -61.9 | -19.4 | 0 | 0 | 0 | 111.4 | V614 K620 P621 D622 L627 F628 F668 | V614-N624 WeakPolarHBondContact CG1-OD1 3.36Å; K620-N624 PolarHBondContact O-N 2.88Å; K620-N624 VanDerWaalsContact O-N 3.07Å; K620-N624 PolarHBondContact O-ND2 3.01Å; K620-N624 PolarHBondContact O-OD1 3.33Å; P621-N624 WeakPolarHBondContact O-CB 3.47Å; P621-N624 PolarHBondContact O-N 3.12Å; D622-N624 VanDerWaalsContact C-N 3.31Å; D622-N624 PolarHBondContact O-N 3.12Å; N624-L627 WeakPolarHBondContact O-CB 3.43Å; N624-L627 PolarHBondContact O-N 3.46Å; N624-F628 WeakPolarHBondContact O-CD2 3.37Å; N624-F628 PolarHBondContact O-N 3.29Å; N624-F668 HydrophobicContact CB-CE1 3.74Å; N624-F668 HydrophobicContact CB-CZ 4.22Å |
| 625 | H | 93.2 | Very high | 91.9 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -52.2 | 178 | -178.7 | 81.2 | 0 | 0 | 0 | 111.9 | P621 D622 F623 L627 F628 E629 Y671 I972 | P621-H625 PolarHBondContact O-N 3.49Å; D622-H625 PolarHBondContact O-N 3.46Å; F623-H625 VanDerWaalsContact C-N 3.34Å; F623-H625 PolarHBondContact O-N 3.37Å; H625-L627 VanDerWaalsContact C-N 3.26Å; H625-L627 PolarHBondContact O-N 3.43Å; H625-F628 PolarHBondContact O-N 3.28Å; H625-F628 VanDerWaalsContact O-N 3.15Å; H625-E629 IonicContact CE1-OE1 3.68Å; H625-E629 IonicContact NE2-OE1 3.54Å; H625-E629 PolarHBondContact NE2-OE1 3.5Å; H625-E629 WeakPolarHBondContact O-CG 3.37Å; H625-E629 PolarHBondContact O-N 2.96Å; H625-Y671 WeakPolarHBondContact CB-OH 3.31Å; H625-Y671 AromaticContact ND1-CE1 3.52Å; H625-Y671 AromaticContact ND1-CZ 3.7Å; H625-Y671 PolarHBondContact ND1-OH 2.91Å; H625-I972 HydrophobicContact CB-CD1 3.25Å |
| 626 | F | 93.2 | Very high | 92 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 7% | 0.07 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -26.8 | -179.9 | -70.6 | -59 | 0 | 0 | 0 | 112.9 | V579 I582 R583 M586 D622 F623 T630 | V579-F626 HydrophobicContact CG1-CD2 4.06Å; V579-F626 HydrophobicContact CG1-CE2 4.18Å; I582-F626 HydrophobicContact CB-CB 4.42Å; I582-F626 HydrophobicContact CG1-CB 3.98Å; I582-F626 HydrophobicContact CG2-CB 3.68Å; R583-F626 HydrophobicContact CB-CD2 4.34Å; R583-F626 HydrophobicContact CB-CG 4.39Å; R583-F626 HydrophobicContact CG-CD1 4.33Å; R583-F626 HydrophobicContact CG-CE1 4.1Å; R583-F626 HydrophobicContact CG-CE2 4.32Å; R583-F626 HydrophobicContact CG-CZ 4.11Å; M586-F626 HydrophobicContact CE-CD1 3.5Å; M586-F626 HydrophobicContact CE-CE1 3.69Å; M586-F626 HydrophobicContact SD-CD1 3.65Å; M586-F626 HydrophobicContact SD-CE1 4.27Å; D622-F626 WeakPolarHBondContact O-CD2 3.32Å; D622-F626 PolarHBondContact O-N 3.06Å; F623-F626 PolarHBondContact O-N 3.22Å; F626-T630 WeakPolarHBondContact O-CB 3.47Å; F626-T630 PolarHBondContact O-N 2.92Å; F626-T630 PolarHBondContact O-OG1 2.97Å |
| 627 | L | 95.6 | Very high | 92 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.4 | -50 | 170 | 176.6 | 64.3 | 0 | 0 | 0 | 110.8 | I582 L607 R610 L611 F623 N624 H625 T630 I631 | I582-L627 HydrophobicContact CD1-CD1 4.38Å; I582-L627 HydrophobicContact CG1-CB 4.44Å; L607-L627 HydrophobicContact CB-CD1 4.38Å; L607-L627 HydrophobicContact CD2-CD1 3.62Å; R610-L627 HydrophobicContact CB-CD1 4.31Å; L611-L627 HydrophobicContact CB-CD2 4.21Å; L611-L627 HydrophobicContact CD1-CD2 4.36Å; F623-L627 HydrophobicContact CE1-CB 4.47Å; F623-L627 HydrophobicContact CE1-CD2 4.14Å; F623-L627 WeakPolarHBondContact O-CB 3.34Å; F623-L627 PolarHBondContact O-N 3.45Å; N624-L627 WeakPolarHBondContact O-CB 3.43Å; N624-L627 PolarHBondContact O-N 3.46Å; H625-L627 VanDerWaalsContact C-N 3.26Å; H625-L627 PolarHBondContact O-N 3.43Å; L627-T630 PolarHBondContact O-N 3.49Å; L627-I631 HydrophobicContact CD1-CD1 4.36Å; L627-I631 HydrophobicContact CG-CD1 4.25Å; L627-I631 WeakPolarHBondContact O-CG1 3.19Å; L627-I631 PolarHBondContact O-N 2.93Å |
| 628 | F | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 176.9 | -79.3 | -74.6 | 0 | 0 | 0 | 112.9 | L611 N624 H625 I631 C632 F668 Y671 V672 L675 L985 | L611-F628 HydrophobicContact CD1-CE1 4.01Å; L611-F628 HydrophobicContact CD1-CE2 4.12Å; L611-F628 HydrophobicContact CD1-CZ 3.55Å; N624-F628 WeakPolarHBondContact O-CD2 3.37Å; N624-F628 PolarHBondContact O-N 3.29Å; H625-F628 PolarHBondContact O-N 3.28Å; H625-F628 VanDerWaalsContact O-N 3.15Å; F628-I631 PolarHBondContact O-N 3.25Å; F628-C632 WeakPolarHBondContact O-CB 3.38Å; F628-C632 PolarHBondContact O-N 3.46Å; F628-F668 HydrophobicContact CE2-CB 4.29Å; F628-F668 AromaticContact CE2-CD1 3.69Å; F628-F668 HydrophobicContact CE2-CD1 3.69Å; F628-F668 HydrophobicContact CE2-CD2 4.17Å; F628-F668 AromaticContact CE2-CE1 3.99Å; F628-F668 HydrophobicContact CE2-CE1 3.99Å; F628-F668 HydrophobicContact CE2-CE2 4.39Å; F628-F668 AromaticContact CE2-CG 3.8Å; F628-F668 HydrophobicContact CE2-CG 3.8Å; F628-F668 HydrophobicContact CE2-CZ 4.31Å; F628-F668 HydrophobicContact CZ-CB 4.02Å; F628-F668 HydrophobicContact CZ-CD1 4.26Å; F628-F668 HydrophobicContact CZ-CD2 4.09Å; F628-F668 AromaticContact CZ-CG 3.88Å; F628-F668 HydrophobicContact CZ-CG 3.88Å; F628-Y671 HydrophobicContact CB-CD1 3.87Å; F628-Y671 HydrophobicContact CB-CE1 4.45Å; F628-Y671 HydrophobicContact CB-CG 4.11Å; F628-Y671 VanDerWaalsContact CD1-CB 3.48Å; F628-Y671 HydrophobicContact CD1-CG 4.23Å; F628-Y671 HydrophobicContact CD2-CD1 4.08Å; F628-Y671 AromaticContact CD2-CD2 3.63Å; F628-Y671 HydrophobicContact CD2-CD2 3.63Å; F628-Y671 HydrophobicContact CD2-CE2 4.26Å; F628-Y671 AromaticContact CD2-CG 3.51Å; F628-Y671 HydrophobicContact CD2-CG 3.51Å; F628-Y671 AromaticContact CE2-CD2 3.79Å; F628-Y671 HydrophobicContact CE2-CD2 3.79Å; F628-Y671 AromaticContact CE2-CG 3.93Å; F628-Y671 HydrophobicContact CE2-CG 3.93Å; F628-Y671 VanDerWaalsContact CG-CB 3.49Å; F628-Y671 HydrophobicContact CG-CD1 4.01Å; F628-Y671 HydrophobicContact CG-CD2 4.31Å; F628-Y671 AromaticContact CG-CG 3.71Å; F628-Y671 HydrophobicContact CG-CG 3.71Å; F628-Y671 HydrophobicContact CZ-CG 4.43Å; F628-V672 HydrophobicContact CE1-CG2 4.5Å; F628-L675 HydrophobicContact CD1-CD1 3.63Å; F628-L675 HydrophobicContact CD1-CG 4.34Å; F628-L675 HydrophobicContact CE1-CD1 4.17Å; F628-L985 HydrophobicContact CB-CD1 4.12Å; F628-L985 HydrophobicContact CB-CD2 3.75Å |
| 629 | E | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 172.8 | -73.9 | -76.8 | -149.6 | 0 | 0 | 111.4 | M586 H625 I631 C632 L633 L985 T986 F987 | M586-E629 HydrophobicContact CG-CB 4.44Å; M586-E629 HydrophobicContact SD-CB 3.55Å; M586-E629 VanDerWaalsContact SD-CB 3.55Å; M586-E629 HydrophobicContact SD-CG 4.23Å; H625-E629 IonicContact CE1-OE1 3.68Å; H625-E629 IonicContact NE2-OE1 3.54Å; H625-E629 PolarHBondContact NE2-OE1 3.5Å; H625-E629 WeakPolarHBondContact O-CG 3.37Å; H625-E629 PolarHBondContact O-N 2.96Å; E629-I631 VanDerWaalsContact C-N 3.35Å; E629-I631 PolarHBondContact O-N 3.41Å; E629-C632 WeakPolarHBondContact O-CB 3.43Å; E629-C632 PolarHBondContact O-N 2.97Å; E629-L633 WeakPolarHBondContact O-CB 3.4Å; E629-L633 PolarHBondContact O-N 2.94Å; E629-L985 HydrophobicContact CB-CD2 4.4Å; E629-L985 HydrophobicContact CG-CD2 3.66Å; E629-L985 WeakPolarHBondContact OE1-CA 3.45Å; E629-T986 VanDerWaalsContact CD-N 3.28Å; E629-T986 WeakPolarHBondContact OE1-CA 3.34Å; E629-T986 WeakPolarHBondContact OE1-CB 3.16Å; E629-T986 PolarHBondContact OE1-N 3.32Å; E629-T986 PolarHBondContact OE1-OG1 3.26Å; E629-T986 PolarHBondContact OE2-N 3.4Å; E629-T986 VanDerWaalsContact OE2-N 3.14Å; E629-F987 HydrophobicContact CB-CD2 4.3Å; E629-F987 VanDerWaalsContact OE2-CD2 3.24Å; E629-F987 WeakPolarHBondContact OE2-CD2 3.16Å; E629-F987 PolarHBondContact OE2-N 3.34Å |
| 630 | T | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.8 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | L585 M586 L607 F626 L627 L633 C634 | L585-T630 HydrophobicContact CD2-CG2 4.27Å; L585-T630 HydrophobicContact CG-CG2 4.36Å; M586-T630 WeakPolarHBondContact CB-OG1 3.42Å; L607-T630 HydrophobicContact CD1-CG2 3.82Å; L607-T630 HydrophobicContact CD2-CG2 3.9Å; F626-T630 WeakPolarHBondContact O-CB 3.47Å; F626-T630 PolarHBondContact O-N 2.92Å; F626-T630 PolarHBondContact O-OG1 2.97Å; L627-T630 PolarHBondContact O-N 3.49Å; T630-L633 PolarHBondContact O-N 3.39Å; T630-C634 PolarHBondContact O-N 2.87Å; T630-C634 PolarHBondContact O-SG 3.39Å; T630-C634 VanDerWaalsContact O-SG 3.33Å |
| 631 | I | 97.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 174.7 | -66 | 163.8 | 0 | 0 | 0 | 110.6 | L607 L611 L627 F628 E629 L633 C634 I635 F653 L675 | L607-I631 HydrophobicContact CB-CD1 4.44Å; L607-I631 HydrophobicContact CB-CG1 3.9Å; L607-I631 HydrophobicContact CD1-CG1 4.1Å; L607-I631 HydrophobicContact CG-CG1 4.43Å; L611-I631 HydrophobicContact CD2-CD1 4.21Å; L627-I631 HydrophobicContact CD1-CD1 4.36Å; L627-I631 HydrophobicContact CG-CD1 4.25Å; L627-I631 WeakPolarHBondContact O-CG1 3.19Å; L627-I631 PolarHBondContact O-N 2.93Å; F628-I631 PolarHBondContact O-N 3.25Å; E629-I631 VanDerWaalsContact C-N 3.35Å; E629-I631 PolarHBondContact O-N 3.41Å; I631-L633 VanDerWaalsContact C-N 3.33Å; I631-L633 PolarHBondContact O-N 3.27Å; I631-C634 WeakPolarHBondContact O-CB 3.36Å; I631-C634 PolarHBondContact O-N 3.44Å; I631-I635 HydrophobicContact CG2-CD1 4.06Å; I631-I635 WeakPolarHBondContact O-CG1 3.4Å; I631-I635 PolarHBondContact O-N 2.84Å; I631-F653 HydrophobicContact CD1-CE1 3.83Å; I631-F653 HydrophobicContact CD1-CZ 4.3Å; I631-F653 HydrophobicContact CG1-CE1 4.14Å; I631-F653 HydrophobicContact CG1-CZ 4.1Å; I631-F653 HydrophobicContact CG2-CD1 4.46Å; I631-F653 HydrophobicContact CG2-CE1 3.96Å; I631-F653 HydrophobicContact CG2-CE2 4.06Å; I631-F653 HydrophobicContact CG2-CZ 3.74Å; I631-L675 HydrophobicContact CB-CD1 4.13Å; I631-L675 HydrophobicContact CG2-CD1 3.58Å; I631-L675 HydrophobicContact CG2-CD2 4.46Å |
| 632 | C | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 178.2 | -167.4 | 0 | 0 | 0 | 0 | 111.7 | F628 E629 I635 R636 L675 L985 F987 | F628-C632 WeakPolarHBondContact O-CB 3.38Å; F628-C632 PolarHBondContact O-N 3.46Å; E629-C632 WeakPolarHBondContact O-CB 3.43Å; E629-C632 PolarHBondContact O-N 2.97Å; C632-I635 PolarHBondContact O-N 2.87Å; C632-R636 WeakPolarHBondContact O-CG 3.44Å; C632-R636 PolarHBondContact O-N 3.07Å; C632-L675 HydrophobicContact CB-CD2 3.51Å; C632-L985 HydrophobicContact CB-CD1 4.37Å; C632-F987 HydrophobicContact CB-CB 3.95Å; C632-F987 VanDerWaalsContact SG-CB 3.56Å |
| 633 | L | 93.1 | Very high | 93 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 177 | 179.1 | 59.8 | 0 | 0 | 0 | 111.8 | M586 C589 C590 E629 T630 I631 I635 R636 L637 F987 | M586-L633 HydrophobicContact CG-CD2 4.4Å; M586-L633 WeakPolarHBondContact O-CD2 3.24Å; C589-L633 HydrophobicContact CB-CD2 3.65Å; C589-L633 HydrophobicContact CB-CG 4.42Å; C590-L633 HydrophobicContact CB-CD2 3.87Å; E629-L633 WeakPolarHBondContact O-CB 3.4Å; E629-L633 PolarHBondContact O-N 2.94Å; T630-L633 PolarHBondContact O-N 3.39Å; I631-L633 VanDerWaalsContact C-N 3.33Å; I631-L633 PolarHBondContact O-N 3.27Å; L633-I635 VanDerWaalsContact C-N 3.34Å; L633-I635 PolarHBondContact O-N 3.35Å; L633-R636 PolarHBondContact O-N 3.27Å; L633-L637 HydrophobicContact CD1-CD1 3.81Å; L633-L637 HydrophobicContact CD1-CD2 4.36Å; L633-L637 HydrophobicContact CD1-CG 3.84Å; L633-L637 HydrophobicContact CG-CD1 3.83Å; L633-L637 HydrophobicContact CG-CG 4.27Å; L633-L637 WeakPolarHBondContact O-CB 3.39Å; L633-L637 WeakPolarHBondContact O-CG 3.46Å; L633-L637 PolarHBondContact O-N 3.34Å; L633-F987 HydrophobicContact CB-CD2 3.83Å; L633-F987 HydrophobicContact CB-CE2 4.01Å; L633-F987 HydrophobicContact CB-CG 4.13Å; L633-F987 HydrophobicContact CB-CZ 4.46Å; L633-F987 HydrophobicContact CD1-CD1 3.93Å; L633-F987 HydrophobicContact CD1-CE1 3.75Å; L633-F987 HydrophobicContact CD1-CE2 4.4Å; L633-F987 HydrophobicContact CD1-CG 4.34Å; L633-F987 HydrophobicContact CD1-CZ 4Å; L633-F987 HydrophobicContact CD2-CE2 4.08Å; L633-F987 HydrophobicContact CD2-CZ 4.02Å; L633-F987 HydrophobicContact CG-CE2 4.4Å; L633-F987 HydrophobicContact CG-CZ 4.39Å |
| 634 | C | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.7 | -44.1 | 175.7 | -75.7 | 0 | 0 | 0 | 0 | 112.4 | M600 T630 I631 T638 F649 | M600-C634 HydrophobicContact CE-CB 4.29Å; M600-C634 HydrophobicContact SD-CB 3.61Å; T630-C634 PolarHBondContact O-N 2.87Å; T630-C634 PolarHBondContact O-SG 3.39Å; T630-C634 VanDerWaalsContact O-SG 3.33Å; I631-C634 WeakPolarHBondContact O-CB 3.36Å; I631-C634 PolarHBondContact O-N 3.44Å; C634-T638 WeakPolarHBondContact O-CB 3.33Å; C634-T638 PolarHBondContact O-N 3.1Å; C634-T638 VanDerWaalsContact O-N 3.14Å; C634-T638 PolarHBondContact O-OG1 2.89Å; C634-F649 HydrophobicContact CB-CE1 4.17Å; C634-F649 HydrophobicContact CB-CZ 4.45Å; C634-F649 WeakPolarHBondContact O-CZ 3.49Å |
| 635 | I | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 175.5 | -66 | 161.6 | 0 | 0 | 0 | 109.6 | I631 C632 L633 T638 C639 F649 L675 V678 M679 | I631-I635 HydrophobicContact CG2-CD1 4.06Å; I631-I635 WeakPolarHBondContact O-CG1 3.4Å; I631-I635 PolarHBondContact O-N 2.84Å; C632-I635 PolarHBondContact O-N 2.87Å; L633-I635 VanDerWaalsContact C-N 3.34Å; L633-I635 PolarHBondContact O-N 3.35Å; I635-T638 PolarHBondContact O-N 3.44Å; I635-C639 VanDerWaalsContact O-CB 3.31Å; I635-C639 WeakPolarHBondContact O-CB 3.44Å; I635-C639 PolarHBondContact O-N 2.95Å; I635-C639 PolarHBondContact O-SG 3.24Å; I635-F649 HydrophobicContact CB-CD1 4.4Å; I635-F649 HydrophobicContact CB-CE1 4.43Å; I635-F649 HydrophobicContact CD1-CD1 4.33Å; I635-F649 HydrophobicContact CG1-CB 4.24Å; I635-F649 HydrophobicContact CG1-CD1 3.35Å; I635-F649 HydrophobicContact CG1-CD2 4.4Å; I635-F649 HydrophobicContact CG1-CE1 3.68Å; I635-F649 HydrophobicContact CG1-CG 3.75Å; I635-F649 HydrophobicContact CG1-CZ 4.35Å; I635-L675 HydrophobicContact CD1-CD2 4.22Å; I635-V678 HydrophobicContact CG2-CG1 3.95Å; I635-M679 HydrophobicContact CD1-CG 4.05Å; I635-M679 HydrophobicContact CD1-SD 4.46Å; I635-M679 HydrophobicContact CG2-CG 4.31Å |
| 636 | R | 91.5 | Very high | 93 | Very high | 81 Ų | 81 | 24.4 Ų | 24.4 | 31% | 0.306 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65 | -43.4 | -176.5 | -72.8 | -167.8 | 65.4 | 154.1 | 2.4 | 113.6 | C632 L633 T638 A640 V678 F987 | C632-R636 WeakPolarHBondContact O-CG 3.44Å; C632-R636 PolarHBondContact O-N 3.07Å; L633-R636 PolarHBondContact O-N 3.27Å; R636-T638 VanDerWaalsContact C-N 3.35Å; R636-A640 VanDerWaalsContact O-CB 3.23Å; R636-A640 WeakPolarHBondContact O-CB 3.16Å; R636-A640 PolarHBondContact O-N 3.42Å; R636-V678 HydrophobicContact CG-CG1 4.1Å; R636-F987 WeakPolarHBondContact CD-O 3.44Å; R636-F987 PolarHBondContact NH1-O 3.46Å |
| 637 | L | 91.4 | Very high | 93 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 7% | 0.073 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 179.2 | -70.4 | 174.8 | 0 | 0 | 0 | 111.3 | Q593 C596 M600 L633 F963 | Q593-L637 HydrophobicContact CB-CD2 4.41Å; C596-L637 VanDerWaalsContact SG-CD1 3.58Å; M600-L637 HydrophobicContact CE-CB 4.43Å; L633-L637 HydrophobicContact CD1-CD1 3.81Å; L633-L637 HydrophobicContact CD1-CD2 4.36Å; L633-L637 HydrophobicContact CD1-CG 3.84Å; L633-L637 HydrophobicContact CG-CD1 3.83Å; L633-L637 HydrophobicContact CG-CG 4.27Å; L633-L637 WeakPolarHBondContact O-CB 3.39Å; L633-L637 WeakPolarHBondContact O-CG 3.46Å; L633-L637 PolarHBondContact O-N 3.34Å; L637-F963 HydrophobicContact CD2-CE1 4.27Å |
| 638 | T | 93.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.6 | -43.8 | -179.6 | -48.6 | 0 | 0 | 0 | 0 | 112 | M600 C634 I635 R636 A640 T641 E642 L645 F649 | M600-T638 WeakPolarHBondContact CE-OG1 3.27Å; M600-T638 WeakPolarHBondContact CG-OG1 3.47Å; C634-T638 WeakPolarHBondContact O-CB 3.33Å; C634-T638 PolarHBondContact O-N 3.1Å; C634-T638 VanDerWaalsContact O-N 3.14Å; C634-T638 PolarHBondContact O-OG1 2.89Å; I635-T638 PolarHBondContact O-N 3.44Å; R636-T638 VanDerWaalsContact C-N 3.35Å; T638-A640 VanDerWaalsContact C-N 3.26Å; T638-A640 PolarHBondContact O-N 2.97Å; T638-T641 PolarHBondContact O-N 3.46Å; T638-T641 PolarHBondContact O-OG1 3.34Å; T638-E642 PolarHBondContact O-N 3.02Å; T638-L645 HydrophobicContact CG2-CB 3.91Å; T638-L645 HydrophobicContact CG2-CD1 3.63Å; T638-L645 HydrophobicContact CG2-CG 4.42Å; T638-F649 HydrophobicContact CG2-CE2 3.82Å; T638-F649 HydrophobicContact CG2-CZ 4.37Å; T638-F649 WeakPolarHBondContact OG1-CZ 3.45Å |
| 639 | C | 91.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.3 | -17.5 | -177.8 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | I635 T641 E642 P643 Q682 | I635-C639 VanDerWaalsContact O-CB 3.31Å; I635-C639 WeakPolarHBondContact O-CB 3.44Å; I635-C639 PolarHBondContact O-N 2.95Å; I635-C639 PolarHBondContact O-SG 3.24Å; C639-T641 VanDerWaalsContact C-N 3.31Å; C639-E642 CarbonylContact O-C 3.52Å; C639-P643 WeakPolarHBondContact O-CA 3.38Å; C639-P643 WeakPolarHBondContact O-CD 3.41Å; C639-Q682 HydrophobicContact CB-CG 3.82Å |
| 640 | A | 88.2 | Confident | 92.9 | Very high | 58 Ų | 58 | 34.5 Ų | 34.5 | 48% | 0.479 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.8 | -27.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R636 T638 F963 | R636-A640 VanDerWaalsContact O-CB 3.23Å; R636-A640 WeakPolarHBondContact O-CB 3.16Å; R636-A640 PolarHBondContact O-N 3.42Å; T638-A640 VanDerWaalsContact C-N 3.26Å; T638-A640 PolarHBondContact O-N 2.97Å; A640-F963 HydrophobicContact CB-CE2 3.82Å; A640-F963 HydrophobicContact CB-CZ 3.64Å |
| 641 | T | 89.5 | Confident | 92.9 | Very high | 85 Ų | 85 | 38 Ų | 38 | 52% | 0.521 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -79.2 | -45.6 | 172.3 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | L597 T638 C639 | L597-T641 HydrophobicContact CD1-CG2 3.58Å; T638-T641 PolarHBondContact O-N 3.46Å; T638-T641 PolarHBondContact O-OG1 3.34Å; C639-T641 VanDerWaalsContact C-N 3.31Å |
| 642 | E | 88.8 | Confident | 92.7 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | trans | -150.7 | 109.2 | 178.8 | -165.4 | -176.9 | -169.5 | 0 | 0 | 110.3 | T638 C639 V644 L645 | T638-E642 PolarHBondContact O-N 3.02Å; C639-E642 CarbonylContact O-C 3.52Å; E642-V644 VanDerWaalsContact CD-CG1 3.49Å; E642-V644 HydrophobicContact CG-CG1 3.71Å; E642-V644 PolarHBondContact O-N 3.44Å; E642-V644 VanDerWaalsContact O-N 3.1Å; E642-V644 WeakPolarHBondContact OE1-CG1 3.32Å; E642-L645 HydrophobicContact CB-CD1 3.95Å; E642-L645 HydrophobicContact CB-CG 4.02Å; E642-L645 WeakPolarHBondContact O-CB 3.28Å; E642-L645 WeakPolarHBondContact O-CG 3.41Å; E642-L645 PolarHBondContact O-N 3.29Å; E642-L645 VanDerWaalsContact O-N 3.07Å | ||
| 643 | P | 89.4 | Confident | 92.8 | Very high | 60 Ų | 60 | 39.3 Ų | 39.3 | 39% | 0.39 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -58.7 | -27.5 | -174.8 | -28.5 | 35.1 | 0 | 0 | 0 | 114.7 | C639 L645 V646 | C639-P643 WeakPolarHBondContact O-CA 3.38Å; C639-P643 WeakPolarHBondContact O-CD 3.41Å; P643-L645 PolarHBondContact O-N 2.88Å; P643-L645 VanDerWaalsContact O-N 3.17Å; P643-V646 WeakPolarHBondContact O-CB 3.28Å; P643-V646 VanDerWaalsContact O-CG1 3.28Å; P643-V646 WeakPolarHBondContact O-CG1 3.4Å; P643-V646 PolarHBondContact O-N 2.95Å |
| 644 | V | 91.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -62.6 | -22.2 | 179.1 | 83.5 | 0 | 0 | 0 | 0 | 112.8 | E642 V646 L647 F712 | E642-V644 VanDerWaalsContact CD-CG1 3.49Å; E642-V644 HydrophobicContact CG-CG1 3.71Å; E642-V644 PolarHBondContact O-N 3.44Å; E642-V644 VanDerWaalsContact O-N 3.1Å; E642-V644 WeakPolarHBondContact OE1-CG1 3.32Å; V644-V646 PolarHBondContact O-N 3.41Å; V644-V646 VanDerWaalsContact O-N 3.09Å; V644-L647 HydrophobicContact CG2-CD1 4.04Å; V644-L647 WeakPolarHBondContact O-CG 3.5Å; V644-L647 PolarHBondContact O-N 3.46Å; V644-L647 VanDerWaalsContact O-N 3.17Å; V644-F712 HydrophobicContact CB-CE2 4.27Å; V644-F712 HydrophobicContact CB-CZ 4.44Å; V644-F712 HydrophobicContact CG2-CD2 3.89Å; V644-F712 HydrophobicContact CG2-CE2 3.76Å; V644-F712 HydrophobicContact CG2-CZ 4.4Å |
| 645 | L | 92.9 | Very high | 92.8 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -65.5 | -12.9 | 179.3 | -63.8 | 176.3 | 0 | 0 | 0 | 112.8 | T638 E642 P643 L647 H648 | T638-L645 HydrophobicContact CG2-CB 3.91Å; T638-L645 HydrophobicContact CG2-CD1 3.63Å; T638-L645 HydrophobicContact CG2-CG 4.42Å; E642-L645 HydrophobicContact CB-CD1 3.95Å; E642-L645 HydrophobicContact CB-CG 4.02Å; E642-L645 WeakPolarHBondContact O-CB 3.28Å; E642-L645 WeakPolarHBondContact O-CG 3.41Å; E642-L645 PolarHBondContact O-N 3.29Å; E642-L645 VanDerWaalsContact O-N 3.07Å; P643-L645 PolarHBondContact O-N 2.88Å; P643-L645 VanDerWaalsContact O-N 3.17Å; L645-L647 PolarHBondContact O-N 3.09Å; L645-L647 VanDerWaalsContact O-N 3.14Å; L645-H648 WeakPolarHBondContact O-CB 3.31Å; L645-H648 PolarHBondContact O-N 3.41Å; L645-H648 PolarHBondContact O-ND1 3.04Å |
| 646 | V | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.5 | -31.3 | 170.2 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | P643 V644 H648 F649 E650 M679 Q682 Y683 F712 | P643-V646 WeakPolarHBondContact O-CB 3.28Å; P643-V646 VanDerWaalsContact O-CG1 3.28Å; P643-V646 WeakPolarHBondContact O-CG1 3.4Å; P643-V646 PolarHBondContact O-N 2.95Å; V644-V646 PolarHBondContact O-N 3.41Å; V644-V646 VanDerWaalsContact O-N 3.09Å; V646-H648 PolarHBondContact O-N 3.04Å; V646-F649 WeakPolarHBondContact O-CB 3.38Å; V646-F649 PolarHBondContact O-N 2.64Å; V646-E650 HydrophobicContact CG2-CG 4.45Å; V646-E650 PolarHBondContact O-N 3.09Å; V646-M679 HydrophobicContact CG2-CB 3.69Å; V646-M679 HydrophobicContact CG2-CG 3.96Å; V646-Q682 HydrophobicContact CB-CB 3.97Å; V646-Q682 HydrophobicContact CB-CG 4.08Å; V646-Q682 HydrophobicContact CG1-CB 4.18Å; V646-Q682 HydrophobicContact CG2-CB 4.06Å; V646-Q682 HydrophobicContact CG2-CG 3.86Å; V646-Y683 HydrophobicContact CG1-CE2 4.2Å; V646-F712 HydrophobicContact CG1-CE2 4.29Å; V646-F712 HydrophobicContact CG1-CZ 3.9Å |
| 647 | L | 93.9 | Very high | 93 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 42% | 0.419 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59 | -32.2 | 178 | -64.5 | 175.8 | 0 | 0 | 0 | 112.7 | V644 L645 A651 F712 | V644-L647 HydrophobicContact CG2-CD1 4.04Å; V644-L647 WeakPolarHBondContact O-CG 3.5Å; V644-L647 PolarHBondContact O-N 3.46Å; V644-L647 VanDerWaalsContact O-N 3.17Å; L645-L647 PolarHBondContact O-N 3.09Å; L645-L647 VanDerWaalsContact O-N 3.14Å; L647-A651 WeakPolarHBondContact O-CB 3.39Å; L647-A651 PolarHBondContact O-N 3.5Å; L647-F712 HydrophobicContact CD1-CE2 4.41Å; L647-F712 HydrophobicContact CG-CE2 4.3Å |
| 648 | H | 93.5 | Very high | 93.1 | Very high | 131 Ų | 131 | 45.3 Ų | 45.3 | 61% | 0.606 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -70.6 | -38.8 | 175.4 | -59.7 | 104.5 | 0 | 0 | 0 | 111.7 | L645 V646 A652 | L645-H648 WeakPolarHBondContact O-CB 3.31Å; L645-H648 PolarHBondContact O-N 3.41Å; L645-H648 PolarHBondContact O-ND1 3.04Å; V646-H648 PolarHBondContact O-N 3.04Å; H648-A652 WeakPolarHBondContact O-CB 3.32Å; H648-A652 PolarHBondContact O-N 2.95Å; H648-A652 VanDerWaalsContact O-N 3.11Å |
| 649 | F | 95.5 | Very high | 93 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 174.7 | -71.5 | -87.2 | 0 | 0 | 0 | 111.4 | M600 V604 C634 I635 T638 V646 A652 F653 M679 | M600-F649 HydrophobicContact SD-CZ 4.38Å; V604-F649 HydrophobicContact CG2-CD1 4.4Å; V604-F649 HydrophobicContact CG2-CE1 3.53Å; V604-F649 HydrophobicContact CG2-CZ 3.99Å; C634-F649 HydrophobicContact CB-CE1 4.17Å; C634-F649 HydrophobicContact CB-CZ 4.45Å; C634-F649 WeakPolarHBondContact O-CZ 3.49Å; I635-F649 HydrophobicContact CB-CD1 4.4Å; I635-F649 HydrophobicContact CB-CE1 4.43Å; I635-F649 HydrophobicContact CD1-CD1 4.33Å; I635-F649 HydrophobicContact CG1-CB 4.24Å; I635-F649 HydrophobicContact CG1-CD1 3.35Å; I635-F649 HydrophobicContact CG1-CD2 4.4Å; I635-F649 HydrophobicContact CG1-CE1 3.68Å; I635-F649 HydrophobicContact CG1-CG 3.75Å; I635-F649 HydrophobicContact CG1-CZ 4.35Å; T638-F649 HydrophobicContact CG2-CE2 3.82Å; T638-F649 HydrophobicContact CG2-CZ 4.37Å; T638-F649 WeakPolarHBondContact OG1-CZ 3.45Å; V646-F649 WeakPolarHBondContact O-CB 3.38Å; V646-F649 PolarHBondContact O-N 2.64Å; F649-A652 PolarHBondContact O-N 3.23Å; F649-F653 HydrophobicContact CB-CD2 4.43Å; F649-F653 HydrophobicContact CD1-CD2 4.11Å; F649-F653 AromaticContact CD1-CE2 3.86Å; F649-F653 HydrophobicContact CD1-CE2 3.86Å; F649-F653 HydrophobicContact CE1-CE2 4.48Å; F649-F653 WeakPolarHBondContact O-CB 3.38Å; F649-F653 WeakPolarHBondContact O-CD2 3.4Å; F649-F653 PolarHBondContact O-N 3.15Å; F649-M679 HydrophobicContact CB-SD 4.05Å |
| 650 | E | 94.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 174.8 | -74.5 | -176.7 | -168.7 | 0 | 0 | 111.5 | V646 A652 L654 M679 Y683 Y718 | V646-E650 HydrophobicContact CG2-CG 4.45Å; V646-E650 PolarHBondContact O-N 3.09Å; E650-A652 VanDerWaalsContact C-N 3.26Å; E650-A652 PolarHBondContact O-N 3.43Å; E650-L654 HydrophobicContact CB-CD1 3.76Å; E650-L654 HydrophobicContact CB-CG 4.19Å; E650-L654 HydrophobicContact CG-CD1 4.04Å; E650-L654 HydrophobicContact CG-CG 4.48Å; E650-L654 WeakPolarHBondContact O-CB 3.36Å; E650-L654 VanDerWaalsContact O-CG 3.3Å; E650-L654 WeakPolarHBondContact O-CG 3.34Å; E650-L654 PolarHBondContact O-N 2.73Å; E650-M679 HydrophobicContact CG-SD 4.03Å; E650-Y683 VanDerWaalsContact CD-OH 3.31Å; E650-Y683 VanDerWaalsContact OE1-CE2 3.24Å; E650-Y683 WeakPolarHBondContact OE1-CE2 3.44Å; E650-Y683 PolarHBondContact OE1-OH 3.39Å; E650-Y683 PolarHBondContact OE2-OH 3.32Å; E650-Y718 WeakPolarHBondContact OE1-CE2 3.17Å; E650-Y718 PolarHBondContact OE1-OH 3.44Å |
| 651 | A | 93.8 | Very high | 93.2 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 62% | 0.62 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L647 | L647-A651 WeakPolarHBondContact O-CB 3.39Å; L647-A651 PolarHBondContact O-N 3.5Å |
| 652 | A | 95 | Very high | 93.3 | Very high | 27 Ų | 27 | 49 Ų | 49 | 22% | 0.223 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79.9 | -46.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L608 H648 F649 E650 | L608-A652 HydrophobicContact CD2-CB 4.26Å; H648-A652 WeakPolarHBondContact O-CB 3.32Å; H648-A652 PolarHBondContact O-N 2.95Å; H648-A652 VanDerWaalsContact O-N 3.11Å; F649-A652 PolarHBondContact O-N 3.23Å; E650-A652 VanDerWaalsContact C-N 3.26Å; E650-A652 PolarHBondContact O-N 3.43Å |
| 653 | F | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -101.4 | -28.1 | -166.8 | -72.8 | -77.1 | 0 | 0 | 0 | 114.8 | V604 L608 L611 I631 F649 P655 I656 F657 | V604-F653 HydrophobicContact CG1-CE2 3.82Å; V604-F653 HydrophobicContact CG1-CZ 4.19Å; L608-F653 HydrophobicContact CB-CE1 4.14Å; L608-F653 HydrophobicContact CB-CZ 4.34Å; L608-F653 HydrophobicContact CD1-CD1 3.87Å; L608-F653 HydrophobicContact CD1-CE1 3.96Å; L611-F653 HydrophobicContact CD2-CD1 4.08Å; L611-F653 HydrophobicContact CD2-CE1 4.22Å; I631-F653 HydrophobicContact CD1-CE1 3.83Å; I631-F653 HydrophobicContact CD1-CZ 4.3Å; I631-F653 HydrophobicContact CG1-CE1 4.14Å; I631-F653 HydrophobicContact CG1-CZ 4.1Å; I631-F653 HydrophobicContact CG2-CD1 4.46Å; I631-F653 HydrophobicContact CG2-CE1 3.96Å; I631-F653 HydrophobicContact CG2-CE2 4.06Å; I631-F653 HydrophobicContact CG2-CZ 3.74Å; F649-F653 HydrophobicContact CB-CD2 4.43Å; F649-F653 HydrophobicContact CD1-CD2 4.11Å; F649-F653 AromaticContact CD1-CE2 3.86Å; F649-F653 HydrophobicContact CD1-CE2 3.86Å; F649-F653 HydrophobicContact CE1-CE2 4.48Å; F649-F653 WeakPolarHBondContact O-CB 3.38Å; F649-F653 WeakPolarHBondContact O-CD2 3.4Å; F649-F653 PolarHBondContact O-N 3.15Å; F653-P655 VanDerWaalsContact C-CD 3.47Å; F653-P655 VanDerWaalsContact C-N 3.35Å; F653-I656 HydrophobicContact CD1-CG2 4.34Å; F653-I656 WeakPolarHBondContact O-CG2 3.26Å; F653-I656 PolarHBondContact O-N 3.37Å; F653-F657 HydrophobicContact CB-CD2 4.26Å; F653-F657 HydrophobicContact CB-CE1 4.09Å; F653-F657 HydrophobicContact CB-CE2 3.75Å; F653-F657 HydrophobicContact CB-CZ 3.64Å; F653-F657 HydrophobicContact CD1-CE1 4.13Å; F653-F657 HydrophobicContact CD1-CZ 4.11Å; F653-F657 HydrophobicContact CG-CZ 4.12Å; F653-F657 WeakPolarHBondContact O-CB 3.47Å; F653-F657 WeakPolarHBondContact O-CD1 3.44Å; F653-F657 WeakPolarHBondContact O-CG 3.45Å; F653-F657 PolarHBondContact O-N 3.32Å |
| 654 | L | 94.2 | Very high | 93.2 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -38 | 179.3 | -68.6 | 178.4 | 0 | 0 | 0 | 113.7 | E650 F657 Q658 I676 M679 A717 | E650-L654 HydrophobicContact CB-CD1 3.76Å; E650-L654 HydrophobicContact CB-CG 4.19Å; E650-L654 HydrophobicContact CG-CD1 4.04Å; E650-L654 HydrophobicContact CG-CG 4.48Å; E650-L654 WeakPolarHBondContact O-CB 3.36Å; E650-L654 VanDerWaalsContact O-CG 3.3Å; E650-L654 WeakPolarHBondContact O-CG 3.34Å; E650-L654 PolarHBondContact O-N 2.73Å; L654-F657 HydrophobicContact CD2-CD2 4.36Å; L654-F657 PolarHBondContact O-N 2.87Å; L654-Q658 WeakPolarHBondContact O-CB 3.45Å; L654-Q658 PolarHBondContact O-N 3.31Å; L654-I676 HydrophobicContact CD2-CG1 4.25Å; L654-M679 HydrophobicContact CD2-CE 3.92Å; L654-M679 HydrophobicContact CG-CE 4.49Å; L654-A717 HydrophobicContact CD1-CB 4.34Å |
| 655 | P | 94.5 | Very high | 93.1 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -50.3 | 175.9 | -25.9 | 36.1 | 0 | 0 | 0 | 113 | F653 F657 Q658 D659 | F653-P655 VanDerWaalsContact C-CD 3.47Å; F653-P655 VanDerWaalsContact C-N 3.35Å; P655-F657 VanDerWaalsContact C-N 3.34Å; P655-F657 PolarHBondContact O-N 3.4Å; P655-Q658 WeakPolarHBondContact O-CB 3.49Å; P655-Q658 PolarHBondContact O-N 3.05Å; P655-D659 PolarHBondContact O-N 2.96Å |
| 656 | I | 95.6 | Very high | 93 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -33.3 | 179.4 | -175.5 | 60.3 | 0 | 0 | 0 | 111.9 | L608 L611 T612 F653 Q658 D659 I660 | L608-I656 HydrophobicContact CD1-CB 4.39Å; L608-I656 HydrophobicContact CD1-CG2 3.64Å; L611-I656 HydrophobicContact CD2-CG1 4.4Å; L611-I656 HydrophobicContact CD2-CG2 4.06Å; L611-I656 HydrophobicContact CG-CG1 4.37Å; T612-I656 HydrophobicContact CG2-CD1 4.27Å; F653-I656 HydrophobicContact CD1-CG2 4.34Å; F653-I656 WeakPolarHBondContact O-CG2 3.26Å; F653-I656 PolarHBondContact O-N 3.37Å; I656-Q658 VanDerWaalsContact C-N 3.31Å; I656-Q658 PolarHBondContact O-N 3.39Å; I656-D659 HydrophobicContact CD1-CB 4.32Å; I656-D659 PolarHBondContact O-N 2.95Å; I656-I660 HydrophobicContact CG1-CD1 4.1Å; I656-I660 HydrophobicContact CG1-CG1 4.45Å; I656-I660 WeakPolarHBondContact O-CB 3.38Å; I656-I660 VanDerWaalsContact O-CG1 3.29Å; I656-I660 WeakPolarHBondContact O-CG1 3.26Å; I656-I660 PolarHBondContact O-N 3.15Å |
| 657 | F | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 173.1 | -69.4 | -7.8 | 0 | 0 | 0 | 111.6 | L611 F653 L654 P655 D659 I660 L661 V672 L675 I676 M679 | L611-F657 HydrophobicContact CD2-CD1 4.44Å; L611-F657 HydrophobicContact CD2-CE1 3.87Å; F653-F657 HydrophobicContact CB-CD2 4.26Å; F653-F657 HydrophobicContact CB-CE1 4.09Å; F653-F657 HydrophobicContact CB-CE2 3.75Å; F653-F657 HydrophobicContact CB-CZ 3.64Å; F653-F657 HydrophobicContact CD1-CE1 4.13Å; F653-F657 HydrophobicContact CD1-CZ 4.11Å; F653-F657 HydrophobicContact CG-CZ 4.12Å; F653-F657 WeakPolarHBondContact O-CB 3.47Å; F653-F657 WeakPolarHBondContact O-CD1 3.44Å; F653-F657 WeakPolarHBondContact O-CG 3.45Å; F653-F657 PolarHBondContact O-N 3.32Å; L654-F657 HydrophobicContact CD2-CD2 4.36Å; L654-F657 PolarHBondContact O-N 2.87Å; P655-F657 VanDerWaalsContact C-N 3.34Å; P655-F657 PolarHBondContact O-N 3.4Å; F657-D659 VanDerWaalsContact C-N 3.34Å; F657-I660 HydrophobicContact CD1-CD1 4.49Å; F657-I660 PolarHBondContact O-N 3.47Å; F657-L661 WeakPolarHBondContact O-CB 3.5Å; F657-L661 WeakPolarHBondContact O-CG 3.37Å; F657-L661 PolarHBondContact O-N 3.21Å; F657-V672 HydrophobicContact CB-CG1 3.62Å; F657-V672 HydrophobicContact CB-CG2 4.4Å; F657-V672 HydrophobicContact CD1-CB 4.46Å; F657-V672 HydrophobicContact CD1-CG1 4.2Å; F657-V672 HydrophobicContact CD1-CG2 3.72Å; F657-V672 HydrophobicContact CD2-CG1 4.06Å; F657-V672 HydrophobicContact CE1-CG2 4.23Å; F657-V672 HydrophobicContact CG-CB 4.43Å; F657-V672 HydrophobicContact CG-CG1 3.71Å; F657-V672 HydrophobicContact CG-CG2 4.11Å; F657-L675 HydrophobicContact CE1-CD1 4.24Å; F657-L675 HydrophobicContact CE2-CB 3.95Å; F657-L675 HydrophobicContact CE2-CD1 4.42Å; F657-L675 HydrophobicContact CZ-CB 3.89Å; F657-L675 HydrophobicContact CZ-CD1 3.55Å; F657-L675 HydrophobicContact CZ-CG 4.38Å; F657-I676 HydrophobicContact CD2-CD1 4.14Å; F657-I676 HydrophobicContact CD2-CG1 3.75Å; F657-I676 HydrophobicContact CE2-CG1 4.18Å; F657-M679 HydrophobicContact CD2-CE 4.23Å; F657-M679 HydrophobicContact CE2-CE 3.74Å |
| 658 | Q | 92.9 | Very high | 92.7 | Very high | 99 Ų | 99 | 52.5 Ų | 52.5 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 173.1 | -179.9 | 179 | -44.3 | 0 | 0 | 111.2 | L654 P655 I656 L661 Q662 | L654-Q658 WeakPolarHBondContact O-CB 3.45Å; L654-Q658 PolarHBondContact O-N 3.31Å; P655-Q658 WeakPolarHBondContact O-CB 3.49Å; P655-Q658 PolarHBondContact O-N 3.05Å; I656-Q658 VanDerWaalsContact C-N 3.31Å; I656-Q658 PolarHBondContact O-N 3.39Å; Q658-L661 PolarHBondContact O-N 2.95Å; Q658-Q662 HydrophobicContact CG-CG 4.32Å; Q658-Q662 WeakPolarHBondContact O-CB 3.34Å; Q658-Q662 VanDerWaalsContact O-CG 3.24Å; Q658-Q662 WeakPolarHBondContact O-CG 3.39Å; Q658-Q662 PolarHBondContact O-N 3.34Å |
| 659 | D | 92.7 | Very high | 92.7 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 177.3 | -67.6 | -20.4 | 0 | 0 | 0 | 111.8 | P655 I656 F657 L661 Q662 Q663 | P655-D659 PolarHBondContact O-N 2.96Å; I656-D659 HydrophobicContact CD1-CB 4.32Å; I656-D659 PolarHBondContact O-N 2.95Å; F657-D659 VanDerWaalsContact C-N 3.34Å; D659-L661 VanDerWaalsContact C-N 3.32Å; D659-L661 PolarHBondContact O-N 3.08Å; D659-Q662 PolarHBondContact O-N 3.36Å; D659-Q663 WeakPolarHBondContact O-CB 3.35Å; D659-Q663 VanDerWaalsContact O-CG 3.32Å; D659-Q663 WeakPolarHBondContact O-CG 3.35Å; D659-Q663 PolarHBondContact O-N 3.42Å |
| 660 | I | 93 | Very high | 92.6 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.5 | -45.5 | 175.6 | -73.9 | 168.2 | 0 | 0 | 0 | 111.1 | L611 A615 I656 F657 D664 V665 F668 V672 | L611-I660 HydrophobicContact CD1-CD1 4.17Å; L611-I660 HydrophobicContact CG-CD1 4.39Å; A615-I660 HydrophobicContact CB-CD1 4.22Å; A615-I660 HydrophobicContact CB-CG1 3.98Å; I656-I660 HydrophobicContact CG1-CD1 4.1Å; I656-I660 HydrophobicContact CG1-CG1 4.45Å; I656-I660 WeakPolarHBondContact O-CB 3.38Å; I656-I660 VanDerWaalsContact O-CG1 3.29Å; I656-I660 WeakPolarHBondContact O-CG1 3.26Å; I656-I660 PolarHBondContact O-N 3.15Å; F657-I660 HydrophobicContact CD1-CD1 4.49Å; F657-I660 PolarHBondContact O-N 3.47Å; I660-D664 PolarHBondContact O-N 3.33Å; I660-V665 HydrophobicContact CG2-CB 4.13Å; I660-V665 PolarHBondContact O-N 3.14Å; I660-V665 VanDerWaalsContact O-N 3.12Å; I660-F668 HydrophobicContact CD1-CD2 4.08Å; I660-F668 HydrophobicContact CG2-CB 3.68Å; I660-V672 HydrophobicContact CB-CG2 4.37Å; I660-V672 HydrophobicContact CD1-CG2 4.15Å; I660-V672 HydrophobicContact CG2-CG2 3.81Å |
| 661 | L | 91.1 | Very high | 92.6 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.7 | -33.2 | 179.3 | -68.9 | 172.2 | 0 | 0 | 0 | 112.6 | F657 Q658 D659 V669 V672 F673 | F657-L661 WeakPolarHBondContact O-CB 3.5Å; F657-L661 WeakPolarHBondContact O-CG 3.37Å; F657-L661 PolarHBondContact O-N 3.21Å; Q658-L661 PolarHBondContact O-N 2.95Å; D659-L661 VanDerWaalsContact C-N 3.32Å; D659-L661 PolarHBondContact O-N 3.08Å; L661-V669 HydrophobicContact CD2-CB 4.48Å; L661-V669 HydrophobicContact CD2-CG1 4.02Å; L661-V669 HydrophobicContact CD2-CG2 4.2Å; L661-V672 HydrophobicContact CD1-CG1 4.06Å; L661-V672 HydrophobicContact CD2-CG1 4.4Å; L661-V672 HydrophobicContact CG-CG1 4.17Å; L661-F673 HydrophobicContact CD1-CE1 4.07Å; L661-F673 HydrophobicContact CD2-CE1 3.77Å; L661-F673 HydrophobicContact CD2-CE2 4.41Å; L661-F673 HydrophobicContact CD2-CZ 3.6Å |
| 662 | Q | 90.4 | Very high | 92.7 | Very high | 116 Ų | 116 | 43.3 Ų | 43.3 | 54% | 0.542 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -76.6 | -35.4 | 178.3 | -76.1 | -176.2 | 10.8 | 0 | 0 | 112.8 | Q658 D659 D664 | Q658-Q662 HydrophobicContact CG-CG 4.32Å; Q658-Q662 WeakPolarHBondContact O-CB 3.34Å; Q658-Q662 VanDerWaalsContact O-CG 3.24Å; Q658-Q662 WeakPolarHBondContact O-CG 3.39Å; Q658-Q662 PolarHBondContact O-N 3.34Å; D659-Q662 PolarHBondContact O-N 3.36Å; Q662-D664 PolarHBondContact O-N 3.02Å |
| 663 | Q | 89.8 | Confident | 92.7 | Very high | 130 Ų | 130 | 42.1 Ų | 42.1 | 61% | 0.607 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.3 | 177 | -66.3 | 177.7 | 23.8 | 0 | 0 | 112.8 | D659 V665 | D659-Q663 WeakPolarHBondContact O-CB 3.35Å; D659-Q663 VanDerWaalsContact O-CG 3.32Å; D659-Q663 WeakPolarHBondContact O-CG 3.35Å; D659-Q663 PolarHBondContact O-N 3.42Å; Q663-V665 VanDerWaalsContact C-N 3.33Å; Q663-V665 HydrophobicContact CB-CG2 4.04Å; Q663-V665 PolarHBondContact O-N 3.35Å |
| 664 | D | 87.1 | Confident | 92.6 | Very high | 107 Ų | 107 | 42 Ų | 42 | 57% | 0.572 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 47.5 | -178.1 | -162.1 | 28.5 | 0 | 0 | 0 | 112.3 | I660 Q662 I666 | I660-D664 PolarHBondContact O-N 3.33Å; Q662-D664 PolarHBondContact O-N 3.02Å; D664-I666 WeakPolarHBondContact O-CG2 3.4Å; D664-I666 PolarHBondContact O-N 3.46Å |
| 665 | V | 89.9 | Confident | 92.7 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | trans | -73.1 | 82.5 | 174.3 | -175 | 0 | 0 | 0 | 0 | 108.3 | P618 I660 Q663 E667 F668 V669 | P618-V665 HydrophobicContact CG-CG1 3.58Å; I660-V665 HydrophobicContact CG2-CB 4.13Å; I660-V665 PolarHBondContact O-N 3.14Å; I660-V665 VanDerWaalsContact O-N 3.12Å; Q663-V665 VanDerWaalsContact C-N 3.33Å; Q663-V665 HydrophobicContact CB-CG2 4.04Å; Q663-V665 PolarHBondContact O-N 3.35Å; V665-E667 PolarHBondContact O-N 3.14Å; V665-F668 HydrophobicContact CG1-CB 4.24Å; V665-F668 HydrophobicContact CG1-CD2 4.02Å; V665-F668 HydrophobicContact CG1-CG 4.11Å; V665-F668 PolarHBondContact O-N 2.82Å; V665-V669 WeakPolarHBondContact O-CG2 3.36Å; V665-V669 PolarHBondContact O-N 3.39Å | ||
| 666 | I | 89.4 | Confident | 92.8 | Very high | 58 Ų | 58 | 37.1 Ų | 37.1 | 30% | 0.297 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -30.3 | -164.7 | 59.4 | 173.1 | 0 | 0 | 0 | 114.5 | D664 F668 R735 | D664-I666 WeakPolarHBondContact O-CG2 3.4Å; D664-I666 PolarHBondContact O-N 3.46Å; I666-F668 VanDerWaalsContact C-N 3.29Å; I666-R735 PolarHBondContact O-NE 3.48Å |
| 667 | E | 88.8 | Confident | 92.7 | Very high | 79 Ų | 79 | 36.2 Ų | 36.2 | 37% | 0.369 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30.3 | -179.9 | -60 | 79 | -171.6 | 0 | 0 | 111.4 | P618 V665 Y671 | P618-E667 HydrophobicContact CB-CB 4.32Å; P618-E667 HydrophobicContact CB-CG 4.32Å; V665-E667 PolarHBondContact O-N 3.14Å; E667-Y671 WeakPolarHBondContact O-CD2 3.2Å |
| 668 | F | 94.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -19.9 | -171.7 | -70.6 | -0 | 0 | 0 | 0 | 113.5 | L611 V614 A615 P618 N624 F628 I660 V665 I666 Y671 V672 | L611-F668 HydrophobicContact CD1-CD2 4.26Å; L611-F668 HydrophobicContact CD1-CE2 4.1Å; V614-F668 HydrophobicContact CB-CZ 4.46Å; V614-F668 HydrophobicContact CG1-CE2 4.37Å; V614-F668 HydrophobicContact CG1-CZ 3.79Å; A615-F668 HydrophobicContact CB-CD2 4.07Å; A615-F668 HydrophobicContact CB-CE2 3.93Å; P618-F668 HydrophobicContact CB-CE1 3.83Å; P618-F668 HydrophobicContact CB-CZ 3.83Å; P618-F668 HydrophobicContact CG-CE1 4.1Å; P618-F668 HydrophobicContact CG-CE2 4.13Å; P618-F668 HydrophobicContact CG-CZ 3.89Å; N624-F668 HydrophobicContact CB-CE1 3.74Å; N624-F668 HydrophobicContact CB-CZ 4.22Å; F628-F668 HydrophobicContact CE2-CB 4.29Å; F628-F668 AromaticContact CE2-CD1 3.69Å; F628-F668 HydrophobicContact CE2-CD1 3.69Å; F628-F668 HydrophobicContact CE2-CD2 4.17Å; F628-F668 AromaticContact CE2-CE1 3.99Å; F628-F668 HydrophobicContact CE2-CE1 3.99Å; F628-F668 HydrophobicContact CE2-CE2 4.39Å; F628-F668 AromaticContact CE2-CG 3.8Å; F628-F668 HydrophobicContact CE2-CG 3.8Å; F628-F668 HydrophobicContact CE2-CZ 4.31Å; F628-F668 HydrophobicContact CZ-CB 4.02Å; F628-F668 HydrophobicContact CZ-CD1 4.26Å; F628-F668 HydrophobicContact CZ-CD2 4.09Å; F628-F668 AromaticContact CZ-CG 3.88Å; F628-F668 HydrophobicContact CZ-CG 3.88Å; I660-F668 HydrophobicContact CD1-CD2 4.08Å; I660-F668 HydrophobicContact CG2-CB 3.68Å; V665-F668 HydrophobicContact CG1-CB 4.24Å; V665-F668 HydrophobicContact CG1-CD2 4.02Å; V665-F668 HydrophobicContact CG1-CG 4.11Å; V665-F668 PolarHBondContact O-N 2.82Å; I666-F668 VanDerWaalsContact C-N 3.29Å; F668-Y671 PolarHBondContact O-N 2.96Å; F668-V672 WeakPolarHBondContact O-CG2 3.37Å; F668-V672 PolarHBondContact O-N 3.16Å |
| 669 | V | 93.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -48.7 | -48.9 | 179.7 | 176 | 0 | 0 | 0 | 0 | 112.8 | L661 V665 Y671 V672 F673 | L661-V669 HydrophobicContact CD2-CB 4.48Å; L661-V669 HydrophobicContact CD2-CG1 4.02Å; L661-V669 HydrophobicContact CD2-CG2 4.2Å; V665-V669 WeakPolarHBondContact O-CG2 3.36Å; V665-V669 PolarHBondContact O-N 3.39Å; V669-Y671 VanDerWaalsContact C-N 3.34Å; V669-Y671 PolarHBondContact O-N 3.03Å; V669-V672 PolarHBondContact O-N 2.63Å; V669-F673 HydrophobicContact CG1-CD2 3.85Å; V669-F673 HydrophobicContact CG1-CE2 3.2Å; V669-F673 HydrophobicContact CG1-CZ 3.82Å; V669-F673 VanDerWaalsContact O-CD2 3.29Å; V669-F673 WeakPolarHBondContact O-CD2 3.34Å; V669-F673 PolarHBondContact O-N 3.13Å |
| 670 | P | 92.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -32.6 | 179.7 | -19.4 | 32.6 | 0 | 0 | 0 | 113.8 | Q674 R735 S739 Y982 | P670-Q674 VanDerWaalsContact O-CG 3.28Å; P670-Q674 WeakPolarHBondContact O-CG 3.35Å; P670-Q674 PolarHBondContact O-N 3.44Å; P670-Q674 PolarHBondContact O-NE2 2.86Å; P670-Q674 VanDerWaalsContact O-NE2 3.11Å; P670-R735 HydrophobicContact CG-CG 4.29Å; P670-S739 VanDerWaalsContact O-CB 3.25Å; P670-S739 WeakPolarHBondContact O-CB 3.27Å; P670-Y982 HydrophobicContact CB-CD2 4.07Å |
| 671 | Y | 95.2 | Very high | 92.7 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 8% | 0.075 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.4 | -41.3 | 177.9 | -67.4 | -66.6 | 0 | 0 | 0 | 111.9 | H625 F628 E667 F668 V669 F673 Q674 L675 S983 L985 | H625-Y671 WeakPolarHBondContact CB-OH 3.31Å; H625-Y671 AromaticContact ND1-CE1 3.52Å; H625-Y671 AromaticContact ND1-CZ 3.7Å; H625-Y671 PolarHBondContact ND1-OH 2.91Å; F628-Y671 HydrophobicContact CB-CD1 3.87Å; F628-Y671 HydrophobicContact CB-CE1 4.45Å; F628-Y671 HydrophobicContact CB-CG 4.11Å; F628-Y671 VanDerWaalsContact CD1-CB 3.48Å; F628-Y671 HydrophobicContact CD1-CG 4.23Å; F628-Y671 HydrophobicContact CD2-CD1 4.08Å; F628-Y671 AromaticContact CD2-CD2 3.63Å; F628-Y671 HydrophobicContact CD2-CD2 3.63Å; F628-Y671 HydrophobicContact CD2-CE2 4.26Å; F628-Y671 AromaticContact CD2-CG 3.51Å; F628-Y671 HydrophobicContact CD2-CG 3.51Å; F628-Y671 AromaticContact CE2-CD2 3.79Å; F628-Y671 HydrophobicContact CE2-CD2 3.79Å; F628-Y671 AromaticContact CE2-CG 3.93Å; F628-Y671 HydrophobicContact CE2-CG 3.93Å; F628-Y671 VanDerWaalsContact CG-CB 3.49Å; F628-Y671 HydrophobicContact CG-CD1 4.01Å; F628-Y671 HydrophobicContact CG-CD2 4.31Å; F628-Y671 AromaticContact CG-CG 3.71Å; F628-Y671 HydrophobicContact CG-CG 3.71Å; F628-Y671 HydrophobicContact CZ-CG 4.43Å; E667-Y671 WeakPolarHBondContact O-CD2 3.2Å; F668-Y671 PolarHBondContact O-N 2.96Å; V669-Y671 VanDerWaalsContact C-N 3.34Å; V669-Y671 PolarHBondContact O-N 3.03Å; Y671-F673 VanDerWaalsContact C-N 3.34Å; Y671-F673 PolarHBondContact O-N 3.23Å; Y671-Q674 WeakPolarHBondContact O-CB 3.46Å; Y671-Q674 PolarHBondContact O-N 3.4Å; Y671-L675 PolarHBondContact O-N 3Å; Y671-S983 VanDerWaalsContact OH-CB 3.23Å; Y671-S983 WeakPolarHBondContact OH-CB 3.33Å; Y671-L985 HydrophobicContact CD1-CD1 4.1Å; Y671-L985 HydrophobicContact CD1-CD2 3.61Å; Y671-L985 HydrophobicContact CD1-CG 3.8Å; Y671-L985 HydrophobicContact CE1-CD2 3.62Å; Y671-L985 HydrophobicContact CE1-CG 4.14Å |
| 672 | V | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -48 | 175 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | F628 F657 I660 L661 F668 V669 Q674 L675 I676 | F628-V672 HydrophobicContact CE1-CG2 4.5Å; F657-V672 HydrophobicContact CB-CG1 3.62Å; F657-V672 HydrophobicContact CB-CG2 4.4Å; F657-V672 HydrophobicContact CD1-CB 4.46Å; F657-V672 HydrophobicContact CD1-CG1 4.2Å; F657-V672 HydrophobicContact CD1-CG2 3.72Å; F657-V672 HydrophobicContact CD2-CG1 4.06Å; F657-V672 HydrophobicContact CE1-CG2 4.23Å; F657-V672 HydrophobicContact CG-CB 4.43Å; F657-V672 HydrophobicContact CG-CG1 3.71Å; F657-V672 HydrophobicContact CG-CG2 4.11Å; I660-V672 HydrophobicContact CB-CG2 4.37Å; I660-V672 HydrophobicContact CD1-CG2 4.15Å; I660-V672 HydrophobicContact CG2-CG2 3.81Å; L661-V672 HydrophobicContact CD1-CG1 4.06Å; L661-V672 HydrophobicContact CD2-CG1 4.4Å; L661-V672 HydrophobicContact CG-CG1 4.17Å; F668-V672 WeakPolarHBondContact O-CG2 3.37Å; F668-V672 PolarHBondContact O-N 3.16Å; V669-V672 PolarHBondContact O-N 2.63Å; V672-Q674 VanDerWaalsContact C-N 3.33Å; V672-Q674 PolarHBondContact O-N 3.43Å; V672-L675 PolarHBondContact O-N 3.21Å; V672-I676 HydrophobicContact CG1-CD1 3.65Å; V672-I676 HydrophobicContact CG1-CG1 4.32Å; V672-I676 VanDerWaalsContact O-CG1 3.29Å; V672-I676 WeakPolarHBondContact O-CG1 3.28Å; V672-I676 PolarHBondContact O-N 2.81Å |
| 673 | F | 95 | Very high | 92.7 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.9 | -36.7 | 178.1 | -65.9 | -39.1 | 0 | 0 | 0 | 113 | L661 V669 Y671 S677 I725 L730 L740 L743 | L661-F673 HydrophobicContact CD1-CE1 4.07Å; L661-F673 HydrophobicContact CD2-CE1 3.77Å; L661-F673 HydrophobicContact CD2-CE2 4.41Å; L661-F673 HydrophobicContact CD2-CZ 3.6Å; V669-F673 HydrophobicContact CG1-CD2 3.85Å; V669-F673 HydrophobicContact CG1-CE2 3.2Å; V669-F673 HydrophobicContact CG1-CZ 3.82Å; V669-F673 VanDerWaalsContact O-CD2 3.29Å; V669-F673 WeakPolarHBondContact O-CD2 3.34Å; V669-F673 PolarHBondContact O-N 3.13Å; Y671-F673 VanDerWaalsContact C-N 3.34Å; Y671-F673 PolarHBondContact O-N 3.23Å; F673-S677 WeakPolarHBondContact O-CB 3.45Å; F673-S677 PolarHBondContact O-N 3.4Å; F673-S677 PolarHBondContact O-OG 3.4Å; F673-I725 HydrophobicContact CE1-CG2 4.25Å; F673-L730 HydrophobicContact CE2-CD1 4.34Å; F673-L730 HydrophobicContact CE2-CD2 4.23Å; F673-L730 HydrophobicContact CE2-CG 4.39Å; F673-L730 HydrophobicContact CZ-CD1 4.11Å; F673-L730 HydrophobicContact CZ-CD2 3.77Å; F673-L730 HydrophobicContact CZ-CG 4.28Å; F673-L740 HydrophobicContact CD1-CD2 4.21Å; F673-L740 HydrophobicContact CD2-CD2 3.58Å; F673-L740 HydrophobicContact CD2-CG 3.81Å; F673-L740 HydrophobicContact CE1-CD2 4.16Å; F673-L740 HydrophobicContact CE2-CD1 4.44Å; F673-L740 HydrophobicContact CE2-CD2 3.48Å; F673-L740 VanDerWaalsContact CE2-CD2 3.48Å; F673-L740 HydrophobicContact CE2-CG 3.91Å; F673-L740 HydrophobicContact CG-CD2 3.96Å; F673-L740 HydrophobicContact CG-CG 4.49Å; F673-L740 HydrophobicContact CZ-CD2 3.82Å; F673-L743 HydrophobicContact CB-CD2 4.48Å; F673-L743 HydrophobicContact CD1-CD2 3.87Å; F673-L743 HydrophobicContact CG-CD2 4.46Å |
| 674 | Q | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 173.7 | -72.7 | 174.4 | 84.1 | 0 | 0 | 111.8 | P670 Y671 V672 S677 V678 Y982 S983 Q984 L985 A988 | P670-Q674 VanDerWaalsContact O-CG 3.28Å; P670-Q674 WeakPolarHBondContact O-CG 3.35Å; P670-Q674 PolarHBondContact O-N 3.44Å; P670-Q674 PolarHBondContact O-NE2 2.86Å; P670-Q674 VanDerWaalsContact O-NE2 3.11Å; Y671-Q674 WeakPolarHBondContact O-CB 3.46Å; Y671-Q674 PolarHBondContact O-N 3.4Å; V672-Q674 VanDerWaalsContact C-N 3.33Å; V672-Q674 PolarHBondContact O-N 3.43Å; Q674-S677 WeakPolarHBondContact O-CB 3.42Å; Q674-S677 PolarHBondContact O-N 3.07Å; Q674-V678 WeakPolarHBondContact O-CG2 3.43Å; Q674-V678 PolarHBondContact O-N 3Å; Q674-Y982 PolarHBondContact OE1-OH 2.96Å; Q674-S983 PolarHBondContact NE2-O 3.48Å; Q674-S983 VanDerWaalsContact NE2-O 3.09Å; Q674-Q984 VanDerWaalsContact OE1-NE2 3.09Å; Q674-L985 HydrophobicContact CB-CD1 4.06Å; Q674-A988 HydrophobicContact CB-CB 4.14Å |
| 675 | L | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 179.5 | -70.6 | -171.3 | 0 | 0 | 0 | 113.1 | F628 I631 C632 I635 F657 Y671 V672 S677 V678 M679 L985 | F628-L675 HydrophobicContact CD1-CD1 3.63Å; F628-L675 HydrophobicContact CD1-CG 4.34Å; F628-L675 HydrophobicContact CE1-CD1 4.17Å; I631-L675 HydrophobicContact CB-CD1 4.13Å; I631-L675 HydrophobicContact CG2-CD1 3.58Å; I631-L675 HydrophobicContact CG2-CD2 4.46Å; C632-L675 HydrophobicContact CB-CD2 3.51Å; I635-L675 HydrophobicContact CD1-CD2 4.22Å; F657-L675 HydrophobicContact CE1-CD1 4.24Å; F657-L675 HydrophobicContact CE2-CB 3.95Å; F657-L675 HydrophobicContact CE2-CD1 4.42Å; F657-L675 HydrophobicContact CZ-CB 3.89Å; F657-L675 HydrophobicContact CZ-CD1 3.55Å; F657-L675 HydrophobicContact CZ-CG 4.38Å; Y671-L675 PolarHBondContact O-N 3Å; V672-L675 PolarHBondContact O-N 3.21Å; L675-S677 PolarHBondContact O-N 3.18Å; L675-V678 PolarHBondContact O-N 2.98Å; L675-M679 WeakPolarHBondContact O-CG 3.46Å; L675-M679 PolarHBondContact O-N 3.41Å; L675-L985 HydrophobicContact CD2-CD1 3.99Å; L675-L985 HydrophobicContact CG-CD1 4.31Å |
| 676 | I | 95.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | 173.8 | -65.8 | 171.1 | 0 | 0 | 0 | 110.4 | L654 F657 V672 M679 L680 Y718 L721 L743 | L654-I676 HydrophobicContact CD2-CG1 4.25Å; F657-I676 HydrophobicContact CD2-CD1 4.14Å; F657-I676 HydrophobicContact CD2-CG1 3.75Å; F657-I676 HydrophobicContact CE2-CG1 4.18Å; V672-I676 HydrophobicContact CG1-CD1 3.65Å; V672-I676 HydrophobicContact CG1-CG1 4.32Å; V672-I676 VanDerWaalsContact O-CG1 3.29Å; V672-I676 WeakPolarHBondContact O-CG1 3.28Å; V672-I676 PolarHBondContact O-N 2.81Å; I676-M679 HydrophobicContact CB-CE 4.48Å; I676-M679 HydrophobicContact CG1-CE 4.1Å; I676-M679 PolarHBondContact O-N 3.07Å; I676-L680 WeakPolarHBondContact O-CB 3.33Å; I676-L680 PolarHBondContact O-N 2.76Å; I676-Y718 HydrophobicContact CG2-CD1 4.4Å; I676-Y718 HydrophobicContact CG2-CE1 3.81Å; I676-L721 HydrophobicContact CD1-CD2 3.89Å; I676-L721 HydrophobicContact CG2-CD2 3.79Å; I676-L743 HydrophobicContact CB-CD1 4.33Å; I676-L743 HydrophobicContact CG2-CD1 3.72Å; I676-L743 HydrophobicContact CG2-CD2 4.46Å |
| 677 | S | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 175.1 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | F673 Q674 L675 M679 L680 E681 L743 | F673-S677 WeakPolarHBondContact O-CB 3.45Å; F673-S677 PolarHBondContact O-N 3.4Å; F673-S677 PolarHBondContact O-OG 3.4Å; Q674-S677 WeakPolarHBondContact O-CB 3.42Å; Q674-S677 PolarHBondContact O-N 3.07Å; L675-S677 PolarHBondContact O-N 3.18Å; S677-M679 VanDerWaalsContact C-N 3.32Å; S677-M679 PolarHBondContact O-N 2.81Å; S677-L680 PolarHBondContact O-N 3.35Å; S677-E681 WeakPolarHBondContact O-CB 3.48Å; S677-E681 VanDerWaalsContact O-CD 3.32Å; S677-E681 WeakPolarHBondContact O-CG 3.45Å; S677-E681 PolarHBondContact O-N 2.87Å; S677-L743 WeakPolarHBondContact OG-CA 3.44Å; S677-L743 VanDerWaalsContact OG-CB 3.3Å; S677-L743 WeakPolarHBondContact OG-CB 3.27Å; S677-L743 PolarHBondContact OG-N 3.36Å |
| 678 | V | 93.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62 | -37.9 | 178.5 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | I635 R636 Q674 L675 Q682 A988 | I635-V678 HydrophobicContact CG2-CG1 3.95Å; R636-V678 HydrophobicContact CG-CG1 4.1Å; Q674-V678 WeakPolarHBondContact O-CG2 3.43Å; Q674-V678 PolarHBondContact O-N 3Å; L675-V678 PolarHBondContact O-N 2.98Å; V678-Q682 WeakPolarHBondContact O-CG 3.38Å; V678-Q682 PolarHBondContact O-NE2 3.5Å; V678-A988 HydrophobicContact CG2-CB 3.5Å; V678-A988 VanDerWaalsContact CG2-CB 3.5Å |
| 679 | M | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | 173.9 | -68.6 | -173.7 | -63.2 | 0 | 0 | 111.4 | I635 V646 F649 E650 L654 F657 L675 I676 S677 E681 Q682 | I635-M679 HydrophobicContact CD1-CG 4.05Å; I635-M679 HydrophobicContact CD1-SD 4.46Å; I635-M679 HydrophobicContact CG2-CG 4.31Å; V646-M679 HydrophobicContact CG2-CB 3.69Å; V646-M679 HydrophobicContact CG2-CG 3.96Å; F649-M679 HydrophobicContact CB-SD 4.05Å; E650-M679 HydrophobicContact CG-SD 4.03Å; L654-M679 HydrophobicContact CD2-CE 3.92Å; L654-M679 HydrophobicContact CG-CE 4.49Å; F657-M679 HydrophobicContact CD2-CE 4.23Å; F657-M679 HydrophobicContact CE2-CE 3.74Å; L675-M679 WeakPolarHBondContact O-CG 3.46Å; L675-M679 PolarHBondContact O-N 3.41Å; I676-M679 HydrophobicContact CB-CE 4.48Å; I676-M679 HydrophobicContact CG1-CE 4.1Å; I676-M679 PolarHBondContact O-N 3.07Å; S677-M679 VanDerWaalsContact C-N 3.32Å; S677-M679 PolarHBondContact O-N 2.81Å; M679-E681 VanDerWaalsContact C-N 3.25Å; M679-E681 PolarHBondContact O-N 3.48Å; M679-Q682 WeakPolarHBondContact O-CB 3.22Å; M679-Q682 WeakPolarHBondContact O-CG 3.42Å; M679-Q682 PolarHBondContact O-N 2.88Å; M679-Q682 VanDerWaalsContact O-N 3.08Å |
| 680 | L | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.6 | -33.5 | 177.1 | -175 | 56 | 0 | 0 | 0 | 112.5 | I676 S677 Q682 Y683 P714 Y718 L743 A746 Y747 | I676-L680 WeakPolarHBondContact O-CB 3.33Å; I676-L680 PolarHBondContact O-N 2.76Å; S677-L680 PolarHBondContact O-N 3.35Å; L680-Q682 PolarHBondContact O-N 2.88Å; L680-Y683 HydrophobicContact CD1-CD2 4.17Å; L680-Y683 WeakPolarHBondContact O-CD2 3.35Å; L680-Y683 PolarHBondContact O-N 3.24Å; L680-P714 HydrophobicContact CD1-CB 4Å; L680-P714 HydrophobicContact CD1-CG 3.73Å; L680-Y718 HydrophobicContact CB-CD1 4.48Å; L680-Y718 HydrophobicContact CB-CE1 3.82Å; L680-Y718 HydrophobicContact CD1-CD1 4.01Å; L680-Y718 HydrophobicContact CD1-CE1 3.98Å; L680-Y718 HydrophobicContact CD1-CG 4.35Å; L680-Y718 HydrophobicContact CD2-CD1 4.24Å; L680-Y718 HydrophobicContact CD2-CE1 4.37Å; L680-Y718 HydrophobicContact CG-CD1 4.49Å; L680-Y718 HydrophobicContact CG-CE1 4.28Å; L680-L743 HydrophobicContact CD2-CD1 4.4Å; L680-A746 HydrophobicContact CB-CB 4.26Å; L680-A746 HydrophobicContact CD2-CB 3.86Å; L680-A746 HydrophobicContact CG-CB 4.12Å; L680-Y747 HydrophobicContact CD2-CD1 3.91Å; L680-Y747 HydrophobicContact CD2-CD2 3.84Å; L680-Y747 HydrophobicContact CD2-CE1 4.15Å; L680-Y747 HydrophobicContact CD2-CE2 4.04Å; L680-Y747 HydrophobicContact CD2-CG 3.75Å |
| 681 | E | 91.1 | Very high | 91.6 | Very high | 41 Ų | 41 | 21.6 Ų | 21.6 | 19% | 0.192 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.7 | 176.4 | -73.7 | 158.7 | -159 | 0 | 0 | 113.5 | S677 M679 R742 A746 H750 | S677-E681 WeakPolarHBondContact O-CB 3.48Å; S677-E681 VanDerWaalsContact O-CD 3.32Å; S677-E681 WeakPolarHBondContact O-CG 3.45Å; S677-E681 PolarHBondContact O-N 2.87Å; M679-E681 VanDerWaalsContact C-N 3.25Å; M679-E681 PolarHBondContact O-N 3.48Å; E681-R742 IonicContact OE1-CZ 3.44Å; E681-R742 IonicContact OE1-NE 2.82Å; E681-R742 PolarHBondContact OE1-NE 2.92Å; E681-R742 IonicContact OE1-NH2 2.81Å; E681-R742 PolarHBondContact OE1-NH2 2.79Å; E681-R742 IonicContact OE2-CZ 3.5Å; E681-R742 IonicContact OE2-NE 3.91Å; E681-R742 IonicContact OE2-NH2 2.74Å; E681-R742 PolarHBondContact OE2-NH2 3.5Å; E681-A746 HydrophobicContact CG-CB 4.02Å; E681-H750 PolarHBondContact O-CE1 3.43Å |
| 682 | Q | 91.6 | Very high | 91.2 | Very high | 40 Ų | 40 | 23 Ų | 23 | 19% | 0.187 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.6 | 175.4 | -53.1 | -48.8 | -53.2 | 0 | 0 | 113.4 | C639 V646 V678 M679 L680 | C639-Q682 HydrophobicContact CB-CG 3.82Å; V646-Q682 HydrophobicContact CB-CB 3.97Å; V646-Q682 HydrophobicContact CB-CG 4.08Å; V646-Q682 HydrophobicContact CG1-CB 4.18Å; V646-Q682 HydrophobicContact CG2-CB 4.06Å; V646-Q682 HydrophobicContact CG2-CG 3.86Å; V678-Q682 WeakPolarHBondContact O-CG 3.38Å; V678-Q682 PolarHBondContact O-NE2 3.5Å; M679-Q682 WeakPolarHBondContact O-CB 3.22Å; M679-Q682 WeakPolarHBondContact O-CG 3.42Å; M679-Q682 PolarHBondContact O-N 2.88Å; M679-Q682 VanDerWaalsContact O-N 3.08Å; L680-Q682 PolarHBondContact O-N 2.88Å |
| 683 | Y | 91 | Very high | 90.6 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -74.3 | 156.8 | 174.7 | -68.2 | -90.3 | 0 | 0 | 0 | 110.5 | V646 E650 L680 F712 R713 P714 Y718 H750 | V646-Y683 HydrophobicContact CG1-CE2 4.2Å; E650-Y683 VanDerWaalsContact CD-OH 3.31Å; E650-Y683 VanDerWaalsContact OE1-CE2 3.24Å; E650-Y683 WeakPolarHBondContact OE1-CE2 3.44Å; E650-Y683 PolarHBondContact OE1-OH 3.39Å; E650-Y683 PolarHBondContact OE2-OH 3.32Å; L680-Y683 HydrophobicContact CD1-CD2 4.17Å; L680-Y683 WeakPolarHBondContact O-CD2 3.35Å; L680-Y683 PolarHBondContact O-N 3.24Å; Y683-F712 HydrophobicContact CD1-CD1 4.11Å; Y683-F712 HydrophobicContact CD1-CD2 4.25Å; Y683-F712 AromaticContact CD1-CE1 3.82Å; Y683-F712 HydrophobicContact CD1-CE1 3.82Å; Y683-F712 AromaticContact CD1-CE2 3.97Å; Y683-F712 HydrophobicContact CD1-CE2 3.97Å; Y683-F712 HydrophobicContact CD1-CG 4.32Å; Y683-F712 AromaticContact CD1-CZ 3.74Å; Y683-F712 HydrophobicContact CD1-CZ 3.74Å; Y683-F712 AromaticContact CE1-CD2 3.96Å; Y683-F712 HydrophobicContact CE1-CD2 3.96Å; Y683-F712 HydrophobicContact CE1-CE1 4.27Å; Y683-F712 AromaticContact CE1-CE2 3.55Å; Y683-F712 HydrophobicContact CE1-CE2 3.55Å; Y683-F712 HydrophobicContact CE1-CG 4.47Å; Y683-F712 AromaticContact CE1-CZ 3.72Å; Y683-F712 HydrophobicContact CE1-CZ 3.72Å; Y683-F712 HydrophobicContact CG-CE1 4.38Å; Y683-F712 HydrophobicContact CG-CZ 4.38Å; Y683-R713 VanDerWaalsContact CE1-O 3.31Å; Y683-R713 WeakPolarHBondContact CE1-O 3.48Å; Y683-P714 HydrophobicContact CD1-CG 4.14Å; Y683-P714 HydrophobicContact CD2-CG 4.2Å; Y683-P714 HydrophobicContact CG-CG 3.96Å; Y683-Y718 HydrophobicContact CE2-CE2 4.12Å; Y683-H750 PolarHBondContact O-CE1 3.41Å; Y683-H750 PolarHBondContact O-ND1 3.47Å |
| 684 | P | 88 | Confident | 90 | Very high | 38 Ų | 38 | 31 Ų | 31 | 25% | 0.247 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 145.2 | 177.8 | -24.4 | 34.7 | 0 | 0 | 0 | 112.5 | P698 I700 F712 | P684-P698 HydrophobicContact CB-CG 4.24Å; P684-I700 HydrophobicContact CG-CD1 4.5Å; P684-F712 HydrophobicContact CG-CD1 4.24Å |
| 685 | L | 89.4 | Confident | 89.2 | Confident | 40 Ų | 40 | 34.5 Ų | 34.5 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 150.5 | 170.5 | -69.2 | 169.3 | 0 | 0 | 0 | 110.5 | V689 L690 L695 L749 H750 P993 | L685-V689 HydrophobicContact CB-CB 4.3Å; L685-V689 HydrophobicContact CB-CG1 4.31Å; L685-V689 HydrophobicContact CD1-CG1 4.05Å; L685-V689 HydrophobicContact CD2-CG1 4.14Å; L685-V689 HydrophobicContact CG-CG1 4.41Å; L685-L690 HydrophobicContact CB-CD2 4.1Å; L685-L690 HydrophobicContact CB-CG 4.21Å; L685-L690 HydrophobicContact CD1-CD2 4.35Å; L685-L695 HydrophobicContact CD1-CD1 4.03Å; L685-L749 HydrophobicContact CD2-CB 4.18Å; L685-H750 VanDerWaalsContact CD2-CE1 3.49Å; L685-H750 WeakPolarHBondContact CD2-CE1 3.43Å; L685-P993 HydrophobicContact CD1-CG 4.11Å; L685-P993 HydrophobicContact CD2-CG 4.17Å |
| 686 | S | 87.2 | Confident | 87.9 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 153.1 | 175.5 | 78.8 | 0 | 0 | 0 | 0 | 111.5 | T688 V689 L690 L749 | S686-T688 PolarHBondContact O-N 2.88Å; S686-V689 PolarHBondContact O-N 3.4Å; S686-V689 WeakPolarHBondContact OG-CG2 3.32Å; S686-L690 PolarHBondContact O-N 3.48Å; S686-L690 VanDerWaalsContact O-N 3.09Å; S686-L749 PolarHBondContact N-O 2.93Å |
| 687 | Q | 85.9 | Confident | 86.5 | Confident | 123 Ų | 123 | 42.7 Ų | 42.7 | 58% | 0.575 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58 | -34.8 | -176.9 | -172.8 | 58.5 | 39.3 | 0 | 0 | 112.7 | L690 T691 | Q687-L690 PolarHBondContact O-N 3.18Å; Q687-T691 WeakPolarHBondContact O-CB 3.4Å; Q687-T691 PolarHBondContact O-N 3.41Å; Q687-T691 PolarHBondContact O-OG1 3.44Å |
| 688 | T | 88.4 | Confident | 84.9 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 17% | 0.172 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 175.5 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | S686 T691 N692 S791 | S686-T688 PolarHBondContact O-N 2.88Å; T688-T691 PolarHBondContact O-N 3.19Å; T688-N692 WeakPolarHBondContact O-CB 3.49Å; T688-N692 PolarHBondContact O-N 3.27Å; T688-S791 WeakPolarHBondContact CB-O 3.36Å; T688-S791 VanDerWaalsContact CG2-O 3.31Å; T688-S791 WeakPolarHBondContact CG2-O 3.47Å; T688-S791 PolarHBondContact OG1-O 3.37Å |
| 689 | V | 89.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 179.1 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | L685 S686 T691 N692 C693 L749 L790 P993 | L685-V689 HydrophobicContact CB-CB 4.3Å; L685-V689 HydrophobicContact CB-CG1 4.31Å; L685-V689 HydrophobicContact CD1-CG1 4.05Å; L685-V689 HydrophobicContact CD2-CG1 4.14Å; L685-V689 HydrophobicContact CG-CG1 4.41Å; S686-V689 PolarHBondContact O-N 3.4Å; S686-V689 WeakPolarHBondContact OG-CG2 3.32Å; V689-T691 VanDerWaalsContact C-N 3.27Å; V689-T691 PolarHBondContact O-N 3.3Å; V689-N692 PolarHBondContact O-N 2.93Å; V689-C693 WeakPolarHBondContact O-CB 3.19Å; V689-C693 PolarHBondContact O-N 3.43Å; V689-C693 PolarHBondContact O-SG 3.34Å; V689-L749 HydrophobicContact CG2-CD2 3.91Å; V689-L790 HydrophobicContact CG1-CD2 4.32Å; V689-L790 HydrophobicContact CG1-CG 4.22Å; V689-L790 HydrophobicContact CG2-CG 4.32Å; V689-P993 HydrophobicContact CG1-CB 4.2Å; V689-P993 HydrophobicContact CG1-CG 3.89Å |
| 690 | L | 87.1 | Confident | 81.2 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 176.4 | -66.8 | 174.2 | 0 | 0 | 0 | 111.4 | L685 S686 Q687 K694 L695 | L685-L690 HydrophobicContact CB-CD2 4.1Å; L685-L690 HydrophobicContact CB-CG 4.21Å; L685-L690 HydrophobicContact CD1-CD2 4.35Å; S686-L690 PolarHBondContact O-N 3.48Å; S686-L690 VanDerWaalsContact O-N 3.09Å; Q687-L690 PolarHBondContact O-N 3.18Å; L690-K694 WeakPolarHBondContact O-CA 3.45Å; L690-K694 PolarHBondContact O-N 3.05Å; L690-L695 HydrophobicContact CD2-CB 3.84Å; L690-L695 HydrophobicContact CD2-CD1 4.34Å; L690-L695 PolarHBondContact O-N 2.86Å |
| 691 | T | 87.1 | Confident | 79 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 53% | 0.534 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66 | -48.9 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | Q687 T688 V689 C693 K694 | Q687-T691 WeakPolarHBondContact O-CB 3.4Å; Q687-T691 PolarHBondContact O-N 3.41Å; Q687-T691 PolarHBondContact O-OG1 3.44Å; T688-T691 PolarHBondContact O-N 3.19Å; V689-T691 VanDerWaalsContact C-N 3.27Å; V689-T691 PolarHBondContact O-N 3.3Å; T691-C693 VanDerWaalsContact C-N 3.34Å; T691-C693 PolarHBondContact O-N 2.96Å; T691-K694 PolarHBondContact O-N 3.14Å |
| 692 | N | 86.1 | Confident | 77 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | -178.9 | -75.4 | -18.1 | 0 | 0 | 0 | 112.5 | T688 V689 K694 L790 L995 | T688-N692 WeakPolarHBondContact O-CB 3.49Å; T688-N692 PolarHBondContact O-N 3.27Å; V689-N692 PolarHBondContact O-N 2.93Å; N692-K694 VanDerWaalsContact C-N 3.34Å; N692-L790 HydrophobicContact CB-CD1 4.06Å; N692-L790 PolarHBondContact ND2-O 3.21Å; N692-L995 HydrophobicContact CB-CD2 4.18Å |
| 693 | C | 82.7 | Confident | 74.6 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.2 | 178.6 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | V689 T691 L695 P993 | V689-C693 WeakPolarHBondContact O-CB 3.19Å; V689-C693 PolarHBondContact O-N 3.43Å; V689-C693 PolarHBondContact O-SG 3.34Å; T691-C693 VanDerWaalsContact C-N 3.34Å; T691-C693 PolarHBondContact O-N 2.96Å; C693-L695 HydrophobicContact CB-CD1 3.67Å; C693-L695 HydrophobicContact CB-CG 3.67Å; C693-L695 PolarHBondContact O-N 3.48Å; C693-P993 VanDerWaalsContact SG-CB 3.57Å |
| 694 | K | 82.5 | Confident | 72.7 | Confident | 160 Ų | 160 | 67.5 Ų | 67.5 | 70% | 0.696 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38.9 | -175.4 | -55.1 | 175 | -177.2 | 171.5 | 0 | 112.7 | L690 T691 N692 | L690-K694 WeakPolarHBondContact O-CA 3.45Å; L690-K694 PolarHBondContact O-N 3.05Å; T691-K694 PolarHBondContact O-N 3.14Å; N692-K694 VanDerWaalsContact C-N 3.34Å |
| 695 | L | 77.3 | Confident | 70.7 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 39% | 0.387 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -88 | 147.2 | -179.4 | -67.6 | 170.8 | 0 | 0 | 0 | 111.1 | L685 L690 C693 | L685-L695 HydrophobicContact CD1-CD1 4.03Å; L690-L695 HydrophobicContact CD2-CB 3.84Å; L690-L695 HydrophobicContact CD2-CD1 4.34Å; L690-L695 PolarHBondContact O-N 2.86Å; C693-L695 HydrophobicContact CB-CD1 3.67Å; C693-L695 HydrophobicContact CB-CG 3.67Å; C693-L695 PolarHBondContact O-N 3.48Å |
| 696 | P | 70.5 | Confident | 68.4 | Low | 101 Ų | 101 | 68.4 Ų | 68.4 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 149.4 | 174.9 | 28 | -33.7 | 0 | 0 | 0 | 111 | ||
| 697 | P | 65.3 | Low | 66.2 | Low | 73 Ų | 73 | 74.9 Ų | 74.9 | 47% | 0.474 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 146.9 | 173.8 | 26.3 | -33.2 | 0 | 0 | 0 | 110.6 | V699 | P697-V699 PolarHBondContact O-N 3.36Š|
| 698 | P | 61.5 | Low | 64 | Low | 37 Ų | 37 | 71.5 Ų | 71.5 | 24% | 0.24 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 135 | -177.5 | 24.8 | -33.7 | 0 | 0 | 0 | 110.9 | P684 A705 | P684-P698 HydrophobicContact CB-CG 4.24Å; P698-A705 HydrophobicContact CG-CB 4.29Å; P698-A705 WeakPolarHBondContact O-CB 3.37Å |
| 699 | V | 55.3 | Low | 62.1 | Low | 99 Ų | 99 | 71.6 Ų | 71.6 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.6 | 170.9 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | P697 | P697-V699 PolarHBondContact O-N 3.36Å |
| 700 | I | 53.6 | Low | 60.3 | Low | 45 Ų | 45 | 76.4 Ų | 76.4 | 23% | 0.231 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.9 | 176.1 | -56.1 | 173.8 | 0 | 0 | 0 | 106.7 | P684 G702 L703 A709 | P684-I700 HydrophobicContact CG-CD1 4.5Å; I700-G702 VanDerWaalsContact C-N 3.35Å; I700-G702 PolarHBondContact O-N 3.49Å; I700-L703 PolarHBondContact O-N 2.89Å; I700-A709 HydrophobicContact CD1-CB 4.46Å |
| 701 | N | 47.4 | Very low | 59.2 | Low | 133 Ų | 133 | 82.6 Ų | 82.6 | 71% | 0.711 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 38.9 | -178.7 | -61.7 | -12.4 | 0 | 0 | 0 | 115 | L703 | N701-L703 PolarHBondContact O-N 3.24Š|
| 702 | G | 49.3 | Very low | 58.9 | Low | 69 Ų | 69 | 79.9 Ų | 79.9 | 71% | 0.711 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 8.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I700 | I700-G702 VanDerWaalsContact C-N 3.35Å; I700-G702 PolarHBondContact O-N 3.49Å |
| 703 | L | 41.4 | Very low | 58.7 | Low | 111 Ų | 111 | 83.7 Ų | 83.7 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.9 | 175.7 | -66.1 | 169.2 | 0 | 0 | 0 | 109.5 | I700 N701 A705 | I700-L703 PolarHBondContact O-N 2.89Å; N701-L703 PolarHBondContact O-N 3.24Å; L703-A705 PolarHBondContact O-N 3.39Å |
| 704 | T | 51.2 | Low | 58.8 | Low | 114 Ų | 114 | 84.1 Ų | 84.1 | 70% | 0.699 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 132.1 | 170.3 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | G706 | T704-G706 PolarHBondContact O-N 3.39Å |
| 705 | A | 45.4 | Very low | 58.5 | Low | 40 Ų | 40 | 78.4 Ų | 78.4 | 33% | 0.331 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -56 | 74.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P698 L703 A709 | P698-A705 HydrophobicContact CG-CB 4.29Å; P698-A705 WeakPolarHBondContact O-CB 3.37Å; L703-A705 PolarHBondContact O-N 3.39Å; A705-A709 HydrophobicContact CB-CB 3.65Å |
| 706 | G | 42.1 | Very low | 58.8 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -103.5 | -32.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T704 | T704-G706 PolarHBondContact O-N 3.39Š|
| 707 | N | 40 | Very low | 59.5 | Low | 147 Ų | 147 | 80.9 Ų | 80.9 | 79% | 0.786 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -135.4 | -25.7 | -174.4 | -73.4 | -28.1 | 0 | 0 | 0 | 116 | ||
| 708 | S | 40.8 | Very low | 60.6 | Low | 52 Ų | 52 | 77.5 Ų | 77.5 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -93.6 | -19.8 | -176.6 | -66.8 | 0 | 0 | 0 | 0 | 115.5 | N710 N711 | S708-N710 PolarHBondContact O-N 2.89Å; S708-N711 PolarHBondContact O-N 3.04Å |
| 709 | A | 48 | Very low | 61.8 | Low | 30 Ų | 30 | 78.5 Ų | 78.5 | 25% | 0.248 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I700 A705 N711 | I700-A709 HydrophobicContact CD1-CB 4.46Å; A705-A709 HydrophobicContact CB-CB 3.65Å; A709-N711 VanDerWaalsContact C-N 3.28Å; A709-N711 PolarHBondContact O-N 3.02Å |
| 710 | N | 51.8 | Low | 63.3 | Low | 101 Ų | 101 | 76.3 Ų | 76.3 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16.4 | 176.3 | -81 | -27.5 | 0 | 0 | 0 | 114.1 | S708 R713 | S708-N710 PolarHBondContact O-N 2.89Å; N710-R713 PolarHBondContact OD1-NH2 2.95Å; N710-R713 VanDerWaalsContact OD1-NH2 3.09Å |
| 711 | N | 63.5 | Low | 65.1 | Low | 146 Ų | 146 | 75.5 Ų | 75.5 | 78% | 0.781 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -96.1 | -17.6 | -174.9 | -70.9 | -9 | 0 | 0 | 0 | 114.5 | S708 A709 | S708-N711 PolarHBondContact O-N 3.04Å; A709-N711 VanDerWaalsContact C-N 3.28Å; A709-N711 PolarHBondContact O-N 3.02Å |
| 712 | F | 80.3 | Confident | 67.2 | Low | 31 Ų | 31 | 69.6 Ų | 69.6 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | trans | -105.5 | 83.9 | 178.8 | -173.4 | -123.9 | 0 | 0 | 0 | 110.1 | V644 V646 L647 Y683 P684 | V644-F712 HydrophobicContact CB-CE2 4.27Å; V644-F712 HydrophobicContact CB-CZ 4.44Å; V644-F712 HydrophobicContact CG2-CD2 3.89Å; V644-F712 HydrophobicContact CG2-CE2 3.76Å; V644-F712 HydrophobicContact CG2-CZ 4.4Å; V646-F712 HydrophobicContact CG1-CE2 4.29Å; V646-F712 HydrophobicContact CG1-CZ 3.9Å; L647-F712 HydrophobicContact CD1-CE2 4.41Å; L647-F712 HydrophobicContact CG-CE2 4.3Å; Y683-F712 HydrophobicContact CD1-CD1 4.11Å; Y683-F712 HydrophobicContact CD1-CD2 4.25Å; Y683-F712 AromaticContact CD1-CE1 3.82Å; Y683-F712 HydrophobicContact CD1-CE1 3.82Å; Y683-F712 AromaticContact CD1-CE2 3.97Å; Y683-F712 HydrophobicContact CD1-CE2 3.97Å; Y683-F712 HydrophobicContact CD1-CG 4.32Å; Y683-F712 AromaticContact CD1-CZ 3.74Å; Y683-F712 HydrophobicContact CD1-CZ 3.74Å; Y683-F712 AromaticContact CE1-CD2 3.96Å; Y683-F712 HydrophobicContact CE1-CD2 3.96Å; Y683-F712 HydrophobicContact CE1-CE1 4.27Å; Y683-F712 AromaticContact CE1-CE2 3.55Å; Y683-F712 HydrophobicContact CE1-CE2 3.55Å; Y683-F712 HydrophobicContact CE1-CG 4.47Å; Y683-F712 AromaticContact CE1-CZ 3.72Å; Y683-F712 HydrophobicContact CE1-CZ 3.72Å; Y683-F712 HydrophobicContact CG-CE1 4.38Å; Y683-F712 HydrophobicContact CG-CZ 4.38Å; P684-F712 HydrophobicContact CG-CD1 4.24Å | ||
| 713 | R | 82.2 | Confident | 69.1 | Low | 129 Ų | 129 | 72.3 Ų | 72.3 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | trans | -123.6 | 155.4 | 179 | -66.8 | -171.3 | -179.8 | -157.4 | 0.4 | 110.2 | Y683 N710 S715 | Y683-R713 VanDerWaalsContact CE1-O 3.31Å; Y683-R713 WeakPolarHBondContact CE1-O 3.48Å; N710-R713 PolarHBondContact OD1-NH2 2.95Å; N710-R713 VanDerWaalsContact OD1-NH2 3.09Å; R713-S715 PolarHBondContact O-N 2.92Å | ||
| 714 | P | 84.6 | Confident | 71.4 | Confident | 17 Ų | 17 | 74.2 Ų | 74.2 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | trans | -51.4 | 137.9 | 175.6 | -27.4 | 36 | 0 | 0 | 0 | 112.2 | L680 Y683 Y718 N751 | L680-P714 HydrophobicContact CD1-CB 4Å; L680-P714 HydrophobicContact CD1-CG 3.73Å; Y683-P714 HydrophobicContact CD1-CG 4.14Å; Y683-P714 HydrophobicContact CD2-CG 4.2Å; Y683-P714 HydrophobicContact CG-CG 3.96Å; P714-Y718 HydrophobicContact CB-CD2 3.74Å; P714-Y718 HydrophobicContact CB-CE2 4.36Å; P714-Y718 HydrophobicContact CB-CG 4.11Å; P714-N751 HydrophobicContact CG-CB 4.22Å | ||
| 715 | S | 77.3 | Confident | 73.3 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 28% | 0.28 | 39% | 0.386 | S | S | . | . | trans | -63.9 | 162.9 | -179.1 | 67.9 | 0 | 0 | 0 | 0 | 113.4 | R713 A717 Y718 | R713-S715 PolarHBondContact O-N 2.92Å; S715-A717 PolarHBondContact O-N 3.31Å; S715-Y718 PolarHBondContact O-N 2.9Å; S715-Y718 WeakPolarHBondContact OG-CD2 3.28Å | ||
| 716 | Q | 82.4 | Confident | 75.6 | Confident | 175 Ų | 175 | 68 Ų | 68 | 82% | 0.818 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57 | -24.2 | 176.5 | -169.9 | 177.9 | 19.3 | 0 | 0 | 113.1 | Y718 S719 A720 | Q716-Y718 VanDerWaalsContact C-N 3.29Å; Q716-Y718 PolarHBondContact O-N 2.86Å; Q716-S719 PolarHBondContact O-N 3.32Å; Q716-A720 PolarHBondContact O-N 3.33Å; Q716-A720 VanDerWaalsContact O-N 3.16Å |
| 717 | A | 85.7 | Confident | 77.9 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L654 S715 A720 L721 | L654-A717 HydrophobicContact CD1-CB 4.34Å; S715-A717 PolarHBondContact O-N 3.31Å; A717-A720 PolarHBondContact O-N 2.9Å; A717-L721 WeakPolarHBondContact O-CB 3.27Å; A717-L721 PolarHBondContact O-N 3.44Å |
| 718 | Y | 89.8 | Confident | 80.1 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.008 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 176.5 | -72.1 | -79.5 | 0 | 0 | 0 | 112.2 | E650 I676 L680 Y683 P714 S715 Q716 A720 L721 L722 Y747 | E650-Y718 WeakPolarHBondContact OE1-CE2 3.17Å; E650-Y718 PolarHBondContact OE1-OH 3.44Å; I676-Y718 HydrophobicContact CG2-CD1 4.4Å; I676-Y718 HydrophobicContact CG2-CE1 3.81Å; L680-Y718 HydrophobicContact CB-CD1 4.48Å; L680-Y718 HydrophobicContact CB-CE1 3.82Å; L680-Y718 HydrophobicContact CD1-CD1 4.01Å; L680-Y718 HydrophobicContact CD1-CE1 3.98Å; L680-Y718 HydrophobicContact CD1-CG 4.35Å; L680-Y718 HydrophobicContact CD2-CD1 4.24Å; L680-Y718 HydrophobicContact CD2-CE1 4.37Å; L680-Y718 HydrophobicContact CG-CD1 4.49Å; L680-Y718 HydrophobicContact CG-CE1 4.28Å; Y683-Y718 HydrophobicContact CE2-CE2 4.12Å; P714-Y718 HydrophobicContact CB-CD2 3.74Å; P714-Y718 HydrophobicContact CB-CE2 4.36Å; P714-Y718 HydrophobicContact CB-CG 4.11Å; S715-Y718 PolarHBondContact O-N 2.9Å; S715-Y718 WeakPolarHBondContact OG-CD2 3.28Å; Q716-Y718 VanDerWaalsContact C-N 3.29Å; Q716-Y718 PolarHBondContact O-N 2.86Å; Y718-A720 VanDerWaalsContact C-N 3.34Å; Y718-A720 PolarHBondContact O-N 3.31Å; Y718-L721 PolarHBondContact O-N 2.91Å; Y718-L722 WeakPolarHBondContact O-CB 3.3Å; Y718-L722 PolarHBondContact O-N 2.84Å; Y718-Y747 WeakPolarHBondContact CA-OH 3.4Å; Y718-Y747 HydrophobicContact CD1-CE1 4.37Å; Y718-Y747 WeakPolarHBondContact O-CE1 3.36Å; Y718-Y747 PolarHBondContact O-OH 3.45Å |
| 719 | S | 86.1 | Confident | 82.3 | Confident | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | Q716 | Q716-S719 PolarHBondContact O-N 3.32Å |
| 720 | A | 87.2 | Confident | 84.3 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q716 A717 Y718 Q723 | Q716-A720 PolarHBondContact O-N 3.33Å; Q716-A720 VanDerWaalsContact O-N 3.16Å; A717-A720 PolarHBondContact O-N 2.9Å; Y718-A720 VanDerWaalsContact C-N 3.34Å; Y718-A720 PolarHBondContact O-N 3.31Å; A720-Q723 PolarHBondContact O-N 2.95Å |
| 721 | L | 90.9 | Very high | 86.2 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 177.9 | -179.3 | 63.4 | 0 | 0 | 0 | 112 | I676 A717 Y718 Q723 R724 I725 L743 | I676-L721 HydrophobicContact CD1-CD2 3.89Å; I676-L721 HydrophobicContact CG2-CD2 3.79Å; A717-L721 WeakPolarHBondContact O-CB 3.27Å; A717-L721 PolarHBondContact O-N 3.44Å; Y718-L721 PolarHBondContact O-N 2.91Å; L721-Q723 PolarHBondContact O-N 3.37Å; L721-R724 WeakPolarHBondContact O-CA 3.41Å; L721-R724 WeakPolarHBondContact O-CB 3.3Å; L721-R724 PolarHBondContact O-N 3.12Å; L721-I725 HydrophobicContact CD1-CG2 3.85Å; L721-I725 HydrophobicContact CG-CG2 4.02Å; L721-I725 PolarHBondContact O-N 3.22Å; L721-L743 HydrophobicContact CD2-CD2 4.46Å |
| 722 | L | 91.8 | Very high | 87.3 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55 | -40.9 | 178.3 | 179.7 | 58.6 | 0 | 0 | 0 | 111.5 | Y718 R724 I725 L726 L744 Y747 V755 K760 | Y718-L722 WeakPolarHBondContact O-CB 3.3Å; Y718-L722 PolarHBondContact O-N 2.84Å; L722-R724 VanDerWaalsContact C-N 3.31Å; L722-R724 PolarHBondContact O-N 3.4Å; L722-I725 HydrophobicContact CD1-CD1 4.08Å; L722-I725 HydrophobicContact CD1-CG1 4.33Å; L722-I725 WeakPolarHBondContact O-CG1 3.35Å; L722-L726 HydrophobicContact CD1-CD1 4.14Å; L722-L726 HydrophobicContact CD1-CG 4.45Å; L722-L726 HydrophobicContact CG-CD1 4.26Å; L722-L726 WeakPolarHBondContact O-CD1 3.44Å; L722-L726 VanDerWaalsContact O-CG 3.24Å; L722-L726 WeakPolarHBondContact O-CG 3.43Å; L722-L744 HydrophobicContact CD1-CD2 4.12Å; L722-Y747 HydrophobicContact CB-CD1 4.42Å; L722-Y747 HydrophobicContact CB-CE1 3.86Å; L722-Y747 HydrophobicContact CD1-CD1 4.2Å; L722-Y747 HydrophobicContact CD1-CD2 4.18Å; L722-Y747 HydrophobicContact CD1-CE1 4.39Å; L722-Y747 HydrophobicContact CD1-CE2 4.41Å; L722-Y747 HydrophobicContact CD1-CG 4.09Å; L722-Y747 HydrophobicContact CD2-CD1 4.28Å; L722-Y747 HydrophobicContact CD2-CE1 4.44Å; L722-Y747 HydrophobicContact CG-CE1 4.45Å; L722-Y747 PolarHBondContact N-OH 3.01Å; L722-V755 HydrophobicContact CD2-CG2 3.98Å; L722-K760 HydrophobicContact CD2-CB 4.22Å; L722-K760 HydrophobicContact CD2-CG 4Å; L722-K760 HydrophobicContact CG-CG 4.4Å |
| 723 | Q | 89.3 | Confident | 87.6 | Confident | 127 Ų | 127 | 62.3 Ų | 62.3 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.3 | -36.1 | 176.3 | 179.4 | 170 | -10 | 0 | 0 | 112.7 | A720 L721 | A720-Q723 PolarHBondContact O-N 2.95Å; L721-Q723 PolarHBondContact O-N 3.37Å |
| 724 | R | 88.8 | Confident | 87.7 | Confident | 150 Ų | 150 | 60 Ų | 60 | 57% | 0.566 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -76.3 | -39.7 | -177.8 | -64.4 | -178.9 | -178.1 | -155.5 | 0.9 | 112.3 | L721 L722 L726 V727 | L721-R724 WeakPolarHBondContact O-CA 3.41Å; L721-R724 WeakPolarHBondContact O-CB 3.3Å; L721-R724 PolarHBondContact O-N 3.12Å; L722-R724 VanDerWaalsContact C-N 3.31Å; L722-R724 PolarHBondContact O-N 3.4Å; R724-L726 PolarHBondContact O-N 3.27Å; R724-V727 WeakPolarHBondContact O-CB 3.28Å; R724-V727 VanDerWaalsContact O-CG2 3.29Å; R724-V727 WeakPolarHBondContact O-CG2 3.49Å; R724-V727 PolarHBondContact O-N 3.42Å |
| 725 | I | 92.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.1 | -16.9 | -179 | 66 | 175.9 | 0 | 0 | 0 | 113.1 | F673 L721 L722 V727 L730 W731 L740 L743 L744 Y747 | F673-I725 HydrophobicContact CE1-CG2 4.25Å; L721-I725 HydrophobicContact CD1-CG2 3.85Å; L721-I725 HydrophobicContact CG-CG2 4.02Å; L721-I725 PolarHBondContact O-N 3.22Å; L722-I725 HydrophobicContact CD1-CD1 4.08Å; L722-I725 HydrophobicContact CD1-CG1 4.33Å; L722-I725 WeakPolarHBondContact O-CG1 3.35Å; I725-V727 VanDerWaalsContact C-N 3.29Å; I725-L730 HydrophobicContact CB-CD2 4.19Å; I725-L730 HydrophobicContact CG2-CD2 4.19Å; I725-W731 PolarHBondContact O-NE1 3.47Å; I725-L740 HydrophobicContact CB-CD2 4.27Å; I725-L740 HydrophobicContact CG2-CD2 4.32Å; I725-L743 HydrophobicContact CD1-CD2 3.96Å; I725-L743 HydrophobicContact CD1-CG 4.08Å; I725-L743 HydrophobicContact CG2-CD2 4.12Å; I725-L744 HydrophobicContact CD1-CD2 3.62Å; I725-L744 HydrophobicContact CD1-CG 4.36Å; I725-L744 HydrophobicContact CG1-CD2 4.23Å; I725-Y747 HydrophobicContact CD1-CD2 3.97Å; I725-Y747 HydrophobicContact CD1-CE2 3.66Å |
| 726 | L | 92.5 | Very high | 88.3 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1.2 | 176.3 | -65.9 | 168.4 | 0 | 0 | 0 | 113.4 | L722 R724 L744 K760 P763 I764 V767 | L722-L726 HydrophobicContact CD1-CD1 4.14Å; L722-L726 HydrophobicContact CD1-CG 4.45Å; L722-L726 HydrophobicContact CG-CD1 4.26Å; L722-L726 WeakPolarHBondContact O-CD1 3.44Å; L722-L726 VanDerWaalsContact O-CG 3.24Å; L722-L726 WeakPolarHBondContact O-CG 3.43Å; R724-L726 PolarHBondContact O-N 3.27Å; L726-L744 HydrophobicContact CD2-CD2 4.11Å; L726-K760 HydrophobicContact CD1-CB 4.11Å; L726-K760 HydrophobicContact CD1-CD 4.01Å; L726-K760 HydrophobicContact CD1-CG 4.33Å; L726-P763 HydrophobicContact CB-CB 4.4Å; L726-P763 HydrophobicContact CD1-CB 3.94Å; L726-P763 HydrophobicContact CD2-CB 4.28Å; L726-P763 HydrophobicContact CG-CB 4.43Å; L726-I764 HydrophobicContact CD2-CG1 3.62Å; L726-V767 HydrophobicContact CD2-CG2 4.21Å |
| 727 | V | 90.2 | Very high | 88.8 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -72.6 | 127.9 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | R724 I725 S729 L730 | R724-V727 WeakPolarHBondContact O-CB 3.28Å; R724-V727 VanDerWaalsContact O-CG2 3.29Å; R724-V727 WeakPolarHBondContact O-CG2 3.49Å; R724-V727 PolarHBondContact O-N 3.42Å; I725-V727 VanDerWaalsContact C-N 3.29Å; V727-S729 VanDerWaalsContact C-N 3.28Å; V727-S729 WeakPolarHBondContact CG1-OG 3.1Å; V727-S729 PolarHBondContact O-N 2.87Å; V727-S729 VanDerWaalsContact O-N 3.14Å; V727-L730 PolarHBondContact O-N 3.46Å |
| 728 | P | 87.5 | Confident | 89 | Confident | 87 Ų | 87 | 50 Ų | 50 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -57.3 | -31.5 | -173.4 | -29.5 | 35.8 | 0 | 0 | 0 | 116.3 | L730 W731 K770 | P728-L730 VanDerWaalsContact C-N 3.26Å; P728-L730 PolarHBondContact O-N 2.94Å; P728-W731 PolarHBondContact O-N 3.22Å; P728-W731 VanDerWaalsContact O-N 3.16Å; P728-K770 PolarHBondContact O-NZ 2.94Å |
| 729 | S | 87.2 | Confident | 89.1 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 57% | 0.573 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -62.4 | -32 | -178.6 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | V727 W731 E732 | V727-S729 VanDerWaalsContact C-N 3.28Å; V727-S729 WeakPolarHBondContact CG1-OG 3.1Å; V727-S729 PolarHBondContact O-N 2.87Å; V727-S729 VanDerWaalsContact O-N 3.14Å; S729-W731 PolarHBondContact O-N 3.4Å; S729-E732 PolarHBondContact O-N 3.1Å |
| 730 | L | 88.7 | Confident | 89.5 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -68.4 | -21.1 | 179.7 | -162.8 | 68.4 | 0 | 0 | 0 | 112.7 | F673 I725 V727 P728 N736 L740 | F673-L730 HydrophobicContact CE2-CD1 4.34Å; F673-L730 HydrophobicContact CE2-CD2 4.23Å; F673-L730 HydrophobicContact CE2-CG 4.39Å; F673-L730 HydrophobicContact CZ-CD1 4.11Å; F673-L730 HydrophobicContact CZ-CD2 3.77Å; F673-L730 HydrophobicContact CZ-CG 4.28Å; I725-L730 HydrophobicContact CB-CD2 4.19Å; I725-L730 HydrophobicContact CG2-CD2 4.19Å; V727-L730 PolarHBondContact O-N 3.46Å; P728-L730 VanDerWaalsContact C-N 3.26Å; P728-L730 PolarHBondContact O-N 2.94Å; L730-N736 PolarHBondContact O-ND2 2.93Å; L730-L740 HydrophobicContact CD2-CD1 4.22Å; L730-L740 HydrophobicContact CD2-CD2 3.71Å; L730-L740 HydrophobicContact CG-CD1 4Å; L730-L740 HydrophobicContact CG-CD2 4.34Å; L730-L740 WeakPolarHBondContact O-CD1 3.44Å |
| 731 | W | 91 | Very high | 89.8 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -97 | 2 | -179.3 | -63.1 | 83.5 | 0 | 0 | 0 | 113.7 | I725 P728 S729 V737 L740 V741 L744 V767 K770 L771 | I725-W731 PolarHBondContact O-NE1 3.47Å; P728-W731 PolarHBondContact O-N 3.22Å; P728-W731 VanDerWaalsContact O-N 3.16Å; S729-W731 PolarHBondContact O-N 3.4Å; W731-V737 HydrophobicContact CE3-CG2 4.46Å; W731-V737 HydrophobicContact CZ3-CG1 4.48Å; W731-L740 HydrophobicContact CD2-CD1 3.96Å; W731-L740 HydrophobicContact CE3-CB 4.28Å; W731-L740 HydrophobicContact CE3-CD1 4.17Å; W731-L740 HydrophobicContact CG-CD1 4.36Å; W731-L740 HydrophobicContact CH2-CB 3.4Å; W731-L740 VanDerWaalsContact CH2-CB 3.4Å; W731-L740 HydrophobicContact CH2-CD1 4.5Å; W731-L740 HydrophobicContact CZ2-CB 3.7Å; W731-L740 HydrophobicContact CZ2-CD1 4.27Å; W731-L740 HydrophobicContact CZ2-CG 4.45Å; W731-L740 HydrophobicContact CZ3-CB 3.72Å; W731-L740 HydrophobicContact CZ3-CD1 4.44Å; W731-V741 HydrophobicContact CH2-CG2 3.97Å; W731-V741 HydrophobicContact CZ3-CG2 3.65Å; W731-L744 HydrophobicContact CH2-CD1 3.62Å; W731-L744 HydrophobicContact CH2-CG 4.33Å; W731-L744 HydrophobicContact CZ2-CD1 3.49Å; W731-L744 VanDerWaalsContact CZ2-CD1 3.49Å; W731-L744 HydrophobicContact CZ2-CG 4.18Å; W731-V767 HydrophobicContact CD2-CG1 3.8Å; W731-V767 HydrophobicContact CE3-CG1 3.8Å; W731-V767 HydrophobicContact CH2-CG1 3.53Å; W731-V767 HydrophobicContact CZ2-CG1 3.54Å; W731-V767 HydrophobicContact CZ2-CG2 4.23Å; W731-V767 HydrophobicContact CZ3-CG1 3.67Å; W731-K770 HydrophobicContact CB-CD 4.27Å; W731-K770 PolarHBondContact O-NZ 2.94Å; W731-L771 HydrophobicContact CE3-CD1 4.49Å; W731-L771 HydrophobicContact CE3-CD2 4Å; W731-L771 HydrophobicContact CZ3-CD1 3.99Å; W731-L771 HydrophobicContact CZ3-CD2 4.2Å |
| 732 | E | 86.7 | Confident | 89.8 | Confident | 125 Ų | 125 | 44 Ų | 44 | 58% | 0.584 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -71.3 | -44 | 173.7 | -62.3 | -59.9 | 150.6 | 0 | 0 | 112.4 | S729 N734 K770 | S729-E732 PolarHBondContact O-N 3.1Å; E732-N734 PolarHBondContact O-N 3.06Å; E732-K770 IonicContact OE1-NZ 3.85Å; E732-K770 PolarHBondContact OE1-NZ 3.29Å; E732-K770 IonicContact OE2-NZ 3.24Å |
| 733 | P | 87 | Confident | 89.9 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -72.9 | 115.4 | 177.8 | -16.1 | 32.4 | 0 | 0 | 0 | 111.1 | R735 N736 | P733-R735 HydrophobicContact CB-CG 4.07Å; P733-R735 PolarHBondContact O-N 3.11Å; P733-N736 PolarHBondContact O-N 3.42Å |
| 734 | N | 85.5 | Confident | 90.2 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 43% | 0.428 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.1 | 179.1 | -73.6 | -37.8 | 0 | 0 | 0 | 113.2 | E732 N736 V737 P738 N777 | E732-N734 PolarHBondContact O-N 3.06Å; N734-N736 PolarHBondContact O-N 3.43Å; N734-V737 PolarHBondContact O-N 3.48Å; N734-P738 WeakPolarHBondContact O-CD 3.37Å; N734-N777 PolarHBondContact OD1-ND2 2.92Å |
| 735 | R | 84.1 | Confident | 90.4 | Very high | 56 Ų | 56 | 31.2 Ų | 31.2 | 21% | 0.211 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29 | 176.3 | 71.5 | 178.5 | -179.2 | -91.5 | -8.2 | 114 | I666 P670 P733 S980 Y982 | I666-R735 PolarHBondContact O-NE 3.48Å; P670-R735 HydrophobicContact CG-CG 4.29Å; P733-R735 HydrophobicContact CB-CG 4.07Å; P733-R735 PolarHBondContact O-N 3.11Å; R735-S980 WeakPolarHBondContact CB-O 3.31Å; R735-S980 VanDerWaalsContact CD-O 3.25Å; R735-S980 WeakPolarHBondContact CD-O 3.42Å; R735-S980 WeakPolarHBondContact CD-OG 3.49Å; R735-S980 PolarHBondContact NE-OG 3.47Å; R735-Y982 WeakPolarHBondContact O-CD2 3.42Å |
| 736 | N | 90.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -29.5 | -177.8 | -66.7 | -11.9 | 0 | 0 | 0 | 111.7 | L730 P733 N734 P738 S739 L740 | L730-N736 PolarHBondContact O-ND2 2.93Å; P733-N736 PolarHBondContact O-N 3.42Å; N734-N736 PolarHBondContact O-N 3.43Å; N736-P738 VanDerWaalsContact C-CD 3.49Å; N736-S739 PolarHBondContact O-N 3.08Å; N736-S739 PolarHBondContact O-OG 3.3Å; N736-L740 HydrophobicContact CB-CD1 3.77Å; N736-L740 HydrophobicContact CB-CG 4.34Å; N736-L740 WeakPolarHBondContact O-CG 3.37Å; N736-L740 PolarHBondContact O-N 3.49Å |
| 737 | V | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -50.9 | -48.1 | -169.9 | 174.8 | 0 | 0 | 0 | 0 | 113.6 | W731 N734 S739 L740 V741 L771 N777 Y780 | W731-V737 HydrophobicContact CE3-CG2 4.46Å; W731-V737 HydrophobicContact CZ3-CG1 4.48Å; N734-V737 PolarHBondContact O-N 3.48Å; V737-S739 PolarHBondContact O-N 3.36Å; V737-L740 PolarHBondContact O-N 2.91Å; V737-V741 HydrophobicContact CG1-CG2 4.37Å; V737-V741 WeakPolarHBondContact O-CG2 3.38Å; V737-V741 PolarHBondContact O-N 2.92Å; V737-L771 HydrophobicContact CG1-CD2 3.59Å; V737-L771 HydrophobicContact CG2-CD2 4.46Å; V737-N777 HydrophobicContact CG1-CB 4.16Å; V737-Y780 HydrophobicContact CG1-CD2 3.8Å; V737-Y780 HydrophobicContact CG1-CE2 4.48Å; V737-Y780 HydrophobicContact CG1-CG 4.13Å |
| 738 | P | 89.9 | Confident | 90.8 | Very high | 14 Ų | 14 | 27 Ų | 27 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | -177.4 | -20.6 | 33.7 | 0 | 0 | 0 | 112 | N734 N736 L740 V741 R742 Y780 Y982 | N734-P738 WeakPolarHBondContact O-CD 3.37Å; N736-P738 VanDerWaalsContact C-CD 3.49Å; P738-L740 PolarHBondContact O-N 3.11Å; P738-V741 PolarHBondContact O-N 2.92Å; P738-R742 PolarHBondContact O-N 2.98Å; P738-Y780 HydrophobicContact CB-CE1 3.76Å; P738-Y780 HydrophobicContact CG-CE1 4.09Å; P738-Y780 HydrophobicContact CG-CE2 4.02Å; P738-Y780 WeakPolarHBondContact CG-OH 3.46Å; P738-Y982 HydrophobicContact CB-CD1 3.91Å; P738-Y982 HydrophobicContact CB-CD2 4.08Å; P738-Y982 HydrophobicContact CB-CE1 3.61Å; P738-Y982 HydrophobicContact CB-CE2 3.85Å; P738-Y982 HydrophobicContact CB-CG 4.13Å; P738-Y982 HydrophobicContact CG-CD1 3.73Å; P738-Y982 HydrophobicContact CG-CD2 4.05Å; P738-Y982 HydrophobicContact CG-CE1 3.98Å; P738-Y982 HydrophobicContact CG-CE2 4.33Å; P738-Y982 HydrophobicContact CG-CG 3.75Å |
| 739 | S | 91.4 | Very high | 91 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | 178.8 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | P670 N736 V737 L743 | P670-S739 VanDerWaalsContact O-CB 3.25Å; P670-S739 WeakPolarHBondContact O-CB 3.27Å; N736-S739 PolarHBondContact O-N 3.08Å; N736-S739 PolarHBondContact O-OG 3.3Å; V737-S739 PolarHBondContact O-N 3.36Å; S739-L743 WeakPolarHBondContact O-CB 3.48Å; S739-L743 PolarHBondContact O-N 2.87Å |
| 740 | L | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.8 | -39.7 | 176.9 | -74.6 | 170.3 | 0 | 0 | 0 | 112.5 | F673 I725 L730 W731 N736 V737 P738 R742 L743 L744 | F673-L740 HydrophobicContact CD1-CD2 4.21Å; F673-L740 HydrophobicContact CD2-CD2 3.58Å; F673-L740 HydrophobicContact CD2-CG 3.81Å; F673-L740 HydrophobicContact CE1-CD2 4.16Å; F673-L740 HydrophobicContact CE2-CD1 4.44Å; F673-L740 HydrophobicContact CE2-CD2 3.48Å; F673-L740 VanDerWaalsContact CE2-CD2 3.48Å; F673-L740 HydrophobicContact CE2-CG 3.91Å; F673-L740 HydrophobicContact CG-CD2 3.96Å; F673-L740 HydrophobicContact CG-CG 4.49Å; F673-L740 HydrophobicContact CZ-CD2 3.82Å; I725-L740 HydrophobicContact CB-CD2 4.27Å; I725-L740 HydrophobicContact CG2-CD2 4.32Å; L730-L740 HydrophobicContact CD2-CD1 4.22Å; L730-L740 HydrophobicContact CD2-CD2 3.71Å; L730-L740 HydrophobicContact CG-CD1 4Å; L730-L740 HydrophobicContact CG-CD2 4.34Å; L730-L740 WeakPolarHBondContact O-CD1 3.44Å; W731-L740 HydrophobicContact CD2-CD1 3.96Å; W731-L740 HydrophobicContact CE3-CB 4.28Å; W731-L740 HydrophobicContact CE3-CD1 4.17Å; W731-L740 HydrophobicContact CG-CD1 4.36Å; W731-L740 HydrophobicContact CH2-CB 3.4Å; W731-L740 VanDerWaalsContact CH2-CB 3.4Å; W731-L740 HydrophobicContact CH2-CD1 4.5Å; W731-L740 HydrophobicContact CZ2-CB 3.7Å; W731-L740 HydrophobicContact CZ2-CD1 4.27Å; W731-L740 HydrophobicContact CZ2-CG 4.45Å; W731-L740 HydrophobicContact CZ3-CB 3.72Å; W731-L740 HydrophobicContact CZ3-CD1 4.44Å; N736-L740 HydrophobicContact CB-CD1 3.77Å; N736-L740 HydrophobicContact CB-CG 4.34Å; N736-L740 WeakPolarHBondContact O-CG 3.37Å; N736-L740 PolarHBondContact O-N 3.49Å; V737-L740 PolarHBondContact O-N 2.91Å; P738-L740 PolarHBondContact O-N 3.11Å; L740-R742 VanDerWaalsContact C-N 3.34Å; L740-L743 PolarHBondContact O-N 2.7Å; L740-L744 PolarHBondContact O-N 3Å |
| 741 | V | 93.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 174.2 | 165.7 | 0 | 0 | 0 | 0 | 110 | W731 V737 P738 L743 L744 Q745 L771 A783 L784 | W731-V741 HydrophobicContact CH2-CG2 3.97Å; W731-V741 HydrophobicContact CZ3-CG2 3.65Å; V737-V741 HydrophobicContact CG1-CG2 4.37Å; V737-V741 WeakPolarHBondContact O-CG2 3.38Å; V737-V741 PolarHBondContact O-N 2.92Å; P738-V741 PolarHBondContact O-N 2.92Å; V741-L743 VanDerWaalsContact C-N 3.31Å; V741-L743 PolarHBondContact O-N 3.36Å; V741-L744 PolarHBondContact O-N 3.29Å; V741-Q745 HydrophobicContact CG1-CG 4.3Å; V741-Q745 VanDerWaalsContact O-CG 3.31Å; V741-Q745 WeakPolarHBondContact O-CG 3.37Å; V741-Q745 PolarHBondContact O-N 2.95Å; V741-L771 HydrophobicContact CG2-CD1 3.6Å; V741-A783 HydrophobicContact CG1-CB 4.2Å; V741-L784 HydrophobicContact CG1-CB 4.38Å |
| 742 | R | 90.9 | Very high | 91.2 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 5% | 0.045 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.7 | -48.1 | 173.9 | -171.7 | -149.1 | 178.3 | 85.7 | -4.7 | 112 | E681 P738 L740 L744 Q745 A746 A988 I989 Q990 | E681-R742 IonicContact OE1-CZ 3.44Å; E681-R742 IonicContact OE1-NE 2.82Å; E681-R742 PolarHBondContact OE1-NE 2.92Å; E681-R742 IonicContact OE1-NH2 2.81Å; E681-R742 PolarHBondContact OE1-NH2 2.79Å; E681-R742 IonicContact OE2-CZ 3.5Å; E681-R742 IonicContact OE2-NE 3.91Å; E681-R742 IonicContact OE2-NH2 2.74Å; E681-R742 PolarHBondContact OE2-NH2 3.5Å; P738-R742 PolarHBondContact O-N 2.98Å; L740-R742 VanDerWaalsContact C-N 3.34Å; R742-L744 VanDerWaalsContact C-N 3.33Å; R742-L744 PolarHBondContact O-N 3.42Å; R742-Q745 WeakPolarHBondContact O-CB 3.48Å; R742-Q745 PolarHBondContact O-N 3.15Å; R742-Q745 VanDerWaalsContact O-N 3.09Å; R742-A746 PolarHBondContact O-N 2.94Å; R742-A988 VanDerWaalsContact NH1-C 3.29Å; R742-A988 PolarHBondContact NH1-O 2.91Å; R742-A988 PolarHBondContact NH2-O 3.19Å; R742-I989 VanDerWaalsContact NH1-C 3.3Å; R742-Q990 HydrophobicContact CG-CB 4.09Å; R742-Q990 VanDerWaalsContact CZ-CB 3.42Å; R742-Q990 PolarHBondContact O-OE1 3.2Å |
| 743 | L | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 179.5 | -178.7 | 55.9 | 0 | 0 | 0 | 111.4 | F673 I676 S677 L680 L721 I725 S739 L740 V741 Q745 A746 Y747 | F673-L743 HydrophobicContact CB-CD2 4.48Å; F673-L743 HydrophobicContact CD1-CD2 3.87Å; F673-L743 HydrophobicContact CG-CD2 4.46Å; I676-L743 HydrophobicContact CB-CD1 4.33Å; I676-L743 HydrophobicContact CG2-CD1 3.72Å; I676-L743 HydrophobicContact CG2-CD2 4.46Å; S677-L743 WeakPolarHBondContact OG-CA 3.44Å; S677-L743 VanDerWaalsContact OG-CB 3.3Å; S677-L743 WeakPolarHBondContact OG-CB 3.27Å; S677-L743 PolarHBondContact OG-N 3.36Å; L680-L743 HydrophobicContact CD2-CD1 4.4Å; L721-L743 HydrophobicContact CD2-CD2 4.46Å; I725-L743 HydrophobicContact CD1-CD2 3.96Å; I725-L743 HydrophobicContact CD1-CG 4.08Å; I725-L743 HydrophobicContact CG2-CD2 4.12Å; S739-L743 WeakPolarHBondContact O-CB 3.48Å; S739-L743 PolarHBondContact O-N 2.87Å; L740-L743 PolarHBondContact O-N 2.7Å; V741-L743 VanDerWaalsContact C-N 3.31Å; V741-L743 PolarHBondContact O-N 3.36Å; L743-Q745 VanDerWaalsContact C-N 3.33Å; L743-Q745 PolarHBondContact O-N 2.93Å; L743-A746 WeakPolarHBondContact O-CB 3.44Å; L743-A746 PolarHBondContact O-N 3.44Å; L743-Y747 HydrophobicContact CD1-CD2 4.05Å; L743-Y747 HydrophobicContact CD1-CE2 3.7Å; L743-Y747 HydrophobicContact CD2-CE2 4.36Å; L743-Y747 HydrophobicContact CG-CD2 4.04Å; L743-Y747 HydrophobicContact CG-CE2 3.79Å; L743-Y747 VanDerWaalsContact O-CD2 3.23Å; L743-Y747 WeakPolarHBondContact O-CD2 3.07Å; L743-Y747 PolarHBondContact O-N 2.95Å |
| 744 | L | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 174.3 | -74.1 | -175.8 | 0 | 0 | 0 | 112.6 | L722 I725 L726 W731 L740 V741 R742 A746 Y747 L748 I764 V767 L784 | L722-L744 HydrophobicContact CD1-CD2 4.12Å; I725-L744 HydrophobicContact CD1-CD2 3.62Å; I725-L744 HydrophobicContact CD1-CG 4.36Å; I725-L744 HydrophobicContact CG1-CD2 4.23Å; L726-L744 HydrophobicContact CD2-CD2 4.11Å; W731-L744 HydrophobicContact CH2-CD1 3.62Å; W731-L744 HydrophobicContact CH2-CG 4.33Å; W731-L744 HydrophobicContact CZ2-CD1 3.49Å; W731-L744 VanDerWaalsContact CZ2-CD1 3.49Å; W731-L744 HydrophobicContact CZ2-CG 4.18Å; L740-L744 PolarHBondContact O-N 3Å; V741-L744 PolarHBondContact O-N 3.29Å; R742-L744 VanDerWaalsContact C-N 3.33Å; R742-L744 PolarHBondContact O-N 3.42Å; L744-A746 VanDerWaalsContact C-N 3.33Å; L744-Y747 PolarHBondContact O-N 2.72Å; L744-L748 WeakPolarHBondContact O-CB 3.11Å; L744-L748 VanDerWaalsContact O-CG 3.24Å; L744-L748 WeakPolarHBondContact O-CG 3.16Å; L744-L748 PolarHBondContact O-N 2.84Å; L744-I764 HydrophobicContact CD2-CG1 4.37Å; L744-V767 HydrophobicContact CD1-CG1 4.22Å; L744-L784 HydrophobicContact CB-CD1 3.76Å; L744-L784 HydrophobicContact CD1-CD1 4.22Å; L744-L784 HydrophobicContact CD1-CD2 4.28Å |
| 745 | Q | 94.1 | Very high | 91.5 | Very high | 18 Ų | 18 | 13.9 Ų | 13.9 | 8% | 0.084 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 173.6 | -67.7 | 179.1 | -71.7 | 0 | 0 | 110.8 | V741 R742 L743 Y747 L748 L749 A783 A787 | V741-Q745 HydrophobicContact CG1-CG 4.3Å; V741-Q745 VanDerWaalsContact O-CG 3.31Å; V741-Q745 WeakPolarHBondContact O-CG 3.37Å; V741-Q745 PolarHBondContact O-N 2.95Å; R742-Q745 WeakPolarHBondContact O-CB 3.48Å; R742-Q745 PolarHBondContact O-N 3.15Å; R742-Q745 VanDerWaalsContact O-N 3.09Å; L743-Q745 VanDerWaalsContact C-N 3.33Å; L743-Q745 PolarHBondContact O-N 2.93Å; Q745-Y747 PolarHBondContact O-N 3.4Å; Q745-L748 PolarHBondContact O-N 3.26Å; Q745-L749 WeakPolarHBondContact O-CB 3.44Å; Q745-L749 VanDerWaalsContact O-CG 3.23Å; Q745-L749 WeakPolarHBondContact O-CG 3.3Å; Q745-L749 PolarHBondContact O-N 2.88Å; Q745-A783 PolarHBondContact NE2-O 3.45Å; Q745-A787 HydrophobicContact CB-CB 3.94Å; Q745-A787 HydrophobicContact CG-CB 3.67Å |
| 746 | A | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L680 E681 R742 L743 L744 L748 L749 H750 | L680-A746 HydrophobicContact CB-CB 4.26Å; L680-A746 HydrophobicContact CD2-CB 3.86Å; L680-A746 HydrophobicContact CG-CB 4.12Å; E681-A746 HydrophobicContact CG-CB 4.02Å; R742-A746 PolarHBondContact O-N 2.94Å; L743-A746 WeakPolarHBondContact O-CB 3.44Å; L743-A746 PolarHBondContact O-N 3.44Å; L744-A746 VanDerWaalsContact C-N 3.33Å; A746-L748 VanDerWaalsContact C-N 3.34Å; A746-L748 PolarHBondContact O-N 2.97Å; A746-L749 PolarHBondContact O-N 3.06Å; A746-H750 WeakPolarHBondContact O-CB 3.46Å; A746-H750 PolarHBondContact O-CD2 3.48Å; A746-H750 VanDerWaalsContact O-CD2 3.3Å; A746-H750 PolarHBondContact O-N 2.93Å |
| 747 | Y | 94.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 172.5 | -84.8 | -77.3 | 0 | 0 | 0 | 112.6 | L680 Y718 L722 I725 L743 L744 Q745 N751 | L680-Y747 HydrophobicContact CD2-CD1 3.91Å; L680-Y747 HydrophobicContact CD2-CD2 3.84Å; L680-Y747 HydrophobicContact CD2-CE1 4.15Å; L680-Y747 HydrophobicContact CD2-CE2 4.04Å; L680-Y747 HydrophobicContact CD2-CG 3.75Å; Y718-Y747 WeakPolarHBondContact CA-OH 3.4Å; Y718-Y747 HydrophobicContact CD1-CE1 4.37Å; Y718-Y747 WeakPolarHBondContact O-CE1 3.36Å; Y718-Y747 PolarHBondContact O-OH 3.45Å; L722-Y747 HydrophobicContact CB-CD1 4.42Å; L722-Y747 HydrophobicContact CB-CE1 3.86Å; L722-Y747 HydrophobicContact CD1-CD1 4.2Å; L722-Y747 HydrophobicContact CD1-CD2 4.18Å; L722-Y747 HydrophobicContact CD1-CE1 4.39Å; L722-Y747 HydrophobicContact CD1-CE2 4.41Å; L722-Y747 HydrophobicContact CD1-CG 4.09Å; L722-Y747 HydrophobicContact CD2-CD1 4.28Å; L722-Y747 HydrophobicContact CD2-CE1 4.44Å; L722-Y747 HydrophobicContact CG-CE1 4.45Å; L722-Y747 PolarHBondContact N-OH 3.01Å; I725-Y747 HydrophobicContact CD1-CD2 3.97Å; I725-Y747 HydrophobicContact CD1-CE2 3.66Å; L743-Y747 HydrophobicContact CD1-CD2 4.05Å; L743-Y747 HydrophobicContact CD1-CE2 3.7Å; L743-Y747 HydrophobicContact CD2-CE2 4.36Å; L743-Y747 HydrophobicContact CG-CD2 4.04Å; L743-Y747 HydrophobicContact CG-CE2 3.79Å; L743-Y747 VanDerWaalsContact O-CD2 3.23Å; L743-Y747 WeakPolarHBondContact O-CD2 3.07Å; L743-Y747 PolarHBondContact O-N 2.95Å; L744-Y747 PolarHBondContact O-N 2.72Å; Q745-Y747 PolarHBondContact O-N 3.4Å; Y747-N751 CarbonylContact O-C 3.57Å; Y747-N751 VanDerWaalsContact O-CA 3.31Å; Y747-N751 WeakPolarHBondContact O-CA 3.28Å; Y747-N751 PolarHBondContact O-N 2.77Å |
| 748 | L | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | -179.5 | -71.2 | 167.2 | 0 | 0 | 0 | 111.8 | L744 Q745 A746 M752 V755 I764 L784 A787 I788 S791 | L744-L748 WeakPolarHBondContact O-CB 3.11Å; L744-L748 VanDerWaalsContact O-CG 3.24Å; L744-L748 WeakPolarHBondContact O-CG 3.16Å; L744-L748 PolarHBondContact O-N 2.84Å; Q745-L748 PolarHBondContact O-N 3.26Å; A746-L748 VanDerWaalsContact C-N 3.34Å; A746-L748 PolarHBondContact O-N 2.97Å; L748-M752 HydrophobicContact CD2-CE 4.29Å; L748-M752 HydrophobicContact CD2-SD 3.57Å; L748-M752 VanDerWaalsContact CD2-SD 3.57Å; L748-M752 WeakPolarHBondContact O-CB 3.43Å; L748-V755 HydrophobicContact CD2-CG1 4.35Å; L748-I764 HydrophobicContact CD2-CD1 4.19Å; L748-L784 HydrophobicContact CD1-CD1 3.6Å; L748-A787 HydrophobicContact CB-CB 4.3Å; L748-A787 HydrophobicContact CD1-CB 3.93Å; L748-I788 HydrophobicContact CD1-CG1 3.55Å; L748-I788 HydrophobicContact CD2-CG1 4.13Å; L748-I788 HydrophobicContact CG-CG1 4.5Å; L748-S791 WeakPolarHBondContact O-CB 3.26Å; L748-S791 PolarHBondContact O-OG 3.41Å |
| 749 | L | 92.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -77.2 | -33.8 | -175.5 | -66 | 173.9 | 0 | 0 | 0 | 113 | L685 S686 V689 Q745 A746 L790 L992 | L685-L749 HydrophobicContact CD2-CB 4.18Å; S686-L749 PolarHBondContact N-O 2.93Å; V689-L749 HydrophobicContact CG2-CD2 3.91Å; Q745-L749 WeakPolarHBondContact O-CB 3.44Å; Q745-L749 VanDerWaalsContact O-CG 3.23Å; Q745-L749 WeakPolarHBondContact O-CG 3.3Å; Q745-L749 PolarHBondContact O-N 2.88Å; A746-L749 PolarHBondContact O-N 3.06Å; L749-L790 HydrophobicContact CD2-CB 4.33Å; L749-L790 HydrophobicContact CD2-CD2 3.77Å; L749-L790 HydrophobicContact CD2-CG 4.12Å; L749-L992 HydrophobicContact CD1-CD2 4.24Å; L749-L992 HydrophobicContact CD2-CD2 4.39Å |
| 750 | H | 91.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 26.5 Ų | 26.5 | 12% | 0.116 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -108.3 | -17.3 | -172.6 | -62.6 | -95.7 | 0 | 0 | 0 | 113.8 | E681 Y683 L685 A746 | E681-H750 PolarHBondContact O-CE1 3.43Å; Y683-H750 PolarHBondContact O-CE1 3.41Å; Y683-H750 PolarHBondContact O-ND1 3.47Å; L685-H750 VanDerWaalsContact CD2-CE1 3.49Å; L685-H750 WeakPolarHBondContact CD2-CE1 3.43Å; A746-H750 WeakPolarHBondContact O-CB 3.46Å; A746-H750 PolarHBondContact O-CD2 3.48Å; A746-H750 VanDerWaalsContact O-CD2 3.3Å; A746-H750 PolarHBondContact O-N 2.93Å |
| 751 | N | 89.2 | Confident | 91.6 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | trans | -143.9 | 41.1 | -176.8 | -156.9 | 7.9 | 0 | 0 | 0 | 114.3 | P714 Y747 D753 D754 V755 | P714-N751 HydrophobicContact CG-CB 4.22Å; Y747-N751 CarbonylContact O-C 3.57Å; Y747-N751 VanDerWaalsContact O-CA 3.31Å; Y747-N751 WeakPolarHBondContact O-CA 3.28Å; Y747-N751 PolarHBondContact O-N 2.77Å; N751-D753 VanDerWaalsContact C-N 3.26Å; N751-D753 PolarHBondContact O-N 3.26Å; N751-D754 PolarHBondContact ND2-OD2 3.15Å; N751-D754 PolarHBondContact O-N 3.01Å; N751-D754 VanDerWaalsContact OD1-CB 3.3Å; N751-D754 WeakPolarHBondContact OD1-CB 3.41Å; N751-D754 PolarHBondContact OD1-OD2 3.44Å; N751-D754 VanDerWaalsContact OD1-OD2 3.07Å; N751-V755 WeakPolarHBondContact O-CG2 3.45Å; N751-V755 PolarHBondContact O-N 3.02Å | ||
| 752 | M | 90.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -36.1 | -179 | -167.7 | 60.4 | -177.3 | 0 | 0 | 113.3 | L748 D754 V755 L756 I761 | L748-M752 HydrophobicContact CD2-CE 4.29Å; L748-M752 HydrophobicContact CD2-SD 3.57Å; L748-M752 VanDerWaalsContact CD2-SD 3.57Å; L748-M752 WeakPolarHBondContact O-CB 3.43Å; M752-D754 PolarHBondContact O-N 3.03Å; M752-V755 WeakPolarHBondContact O-CB 3.36Å; M752-V755 PolarHBondContact O-N 3.2Å; M752-V755 HydrophobicContact SD-CB 4.45Å; M752-V755 HydrophobicContact SD-CG1 4.43Å; M752-L756 HydrophobicContact CE-CD1 4.18Å; M752-L756 HydrophobicContact CE-CD2 3.94Å; M752-L756 HydrophobicContact CE-CG 3.95Å; M752-L756 HydrophobicContact CG-CD1 4.14Å; M752-L756 HydrophobicContact CG-CG 4.37Å; M752-L756 WeakPolarHBondContact O-CG 3.42Å; M752-L756 PolarHBondContact O-N 3.16Å; M752-I761 HydrophobicContact CE-CD1 4.02Å |
| 753 | D | 86.2 | Confident | 91.6 | Very high | 89 Ų | 89 | 32.7 Ų | 32.7 | 48% | 0.476 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -43.4 | -177.2 | -66.4 | -25.5 | 0 | 0 | 0 | 111.3 | N751 L756 A757 | N751-D753 VanDerWaalsContact C-N 3.26Å; N751-D753 PolarHBondContact O-N 3.26Å; D753-L756 PolarHBondContact O-N 2.8Å; D753-A757 VanDerWaalsContact O-CB 3.27Å; D753-A757 WeakPolarHBondContact O-CB 3.4Å; D753-A757 PolarHBondContact O-N 2.93Å |
| 754 | D | 87.5 | Confident | 91.6 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -70.4 | -35.3 | 175.8 | -71 | -10.7 | 0 | 0 | 0 | 111.8 | N751 M752 L756 A757 A758 | N751-D754 PolarHBondContact ND2-OD2 3.15Å; N751-D754 PolarHBondContact O-N 3.01Å; N751-D754 VanDerWaalsContact OD1-CB 3.3Å; N751-D754 WeakPolarHBondContact OD1-CB 3.41Å; N751-D754 PolarHBondContact OD1-OD2 3.44Å; N751-D754 VanDerWaalsContact OD1-OD2 3.07Å; M752-D754 PolarHBondContact O-N 3.03Å; D754-L756 VanDerWaalsContact C-N 3.3Å; D754-L756 PolarHBondContact O-N 3.47Å; D754-A757 PolarHBondContact O-N 3.17Å; D754-A758 WeakPolarHBondContact O-CB 3.47Å; D754-A758 PolarHBondContact O-N 2.9Å |
| 755 | V | 91.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | L722 L748 N751 M752 N759 K760 I764 | L722-V755 HydrophobicContact CD2-CG2 3.98Å; L748-V755 HydrophobicContact CD2-CG1 4.35Å; N751-V755 WeakPolarHBondContact O-CG2 3.45Å; N751-V755 PolarHBondContact O-N 3.02Å; M752-V755 WeakPolarHBondContact O-CB 3.36Å; M752-V755 PolarHBondContact O-N 3.2Å; M752-V755 HydrophobicContact SD-CB 4.45Å; M752-V755 HydrophobicContact SD-CG1 4.43Å; V755-N759 PolarHBondContact O-N 3.45Å; V755-K760 HydrophobicContact CG1-CB 4.19Å; V755-K760 PolarHBondContact O-N 3.06Å; V755-I764 HydrophobicContact CG1-CD1 3.64Å |
| 756 | L | 90.8 | Very high | 91.6 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71 | -48.4 | 176.2 | -70.7 | 173.4 | 0 | 0 | 0 | 111.5 | M752 D753 D754 A758 N759 I761 P793 I796 | M752-L756 HydrophobicContact CE-CD1 4.18Å; M752-L756 HydrophobicContact CE-CD2 3.94Å; M752-L756 HydrophobicContact CE-CG 3.95Å; M752-L756 HydrophobicContact CG-CD1 4.14Å; M752-L756 HydrophobicContact CG-CG 4.37Å; M752-L756 WeakPolarHBondContact O-CG 3.42Å; M752-L756 PolarHBondContact O-N 3.16Å; D753-L756 PolarHBondContact O-N 2.8Å; D754-L756 VanDerWaalsContact C-N 3.3Å; D754-L756 PolarHBondContact O-N 3.47Å; L756-A758 PolarHBondContact O-N 2.9Å; L756-N759 PolarHBondContact O-N 3.13Å; L756-I761 HydrophobicContact CD2-CB 4.37Å; L756-I761 HydrophobicContact CD2-CG2 4.45Å; L756-P793 HydrophobicContact CD1-CG 4.08Å; L756-I796 HydrophobicContact CD1-CD1 4.41Å |
| 757 | A | 88.1 | Confident | 91.6 | Very high | 81 Ų | 81 | 35 Ų | 35 | 67% | 0.669 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.6 | -35.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | D753 D754 N759 | D753-A757 VanDerWaalsContact O-CB 3.27Å; D753-A757 WeakPolarHBondContact O-CB 3.4Å; D753-A757 PolarHBondContact O-N 2.93Å; D754-A757 PolarHBondContact O-N 3.17Å; A757-N759 VanDerWaalsContact C-N 3.29Å; A757-N759 PolarHBondContact O-N 2.77Å |
| 758 | A | 89.2 | Confident | 91.7 | Very high | 52 Ų | 52 | 35 Ų | 35 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 7.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | D754 L756 K760 | D754-A758 WeakPolarHBondContact O-CB 3.47Å; D754-A758 PolarHBondContact O-N 2.9Å; L756-A758 PolarHBondContact O-N 2.9Å; A758-K760 HydrophobicContact CB-CG 3.83Å; A758-K760 PolarHBondContact O-N 3.21Å |
| 759 | N | 90.5 | Very high | 91.7 | Very high | 124 Ų | 124 | 39 Ų | 39 | 66% | 0.663 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.6 | -177.7 | -71.8 | -52.6 | 0 | 0 | 0 | 113.6 | V755 L756 A757 | V755-N759 PolarHBondContact O-N 3.45Å; L756-N759 PolarHBondContact O-N 3.13Å; A757-N759 VanDerWaalsContact C-N 3.29Å; A757-N759 PolarHBondContact O-N 2.77Å |
| 760 | K | 93 | Very high | 91.7 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 21% | 0.213 | 25% | 0.25 | C | C | . | . | trans | -88.6 | -7.5 | -177.4 | -60.4 | -55 | -177.5 | -175.4 | 0 | 113.9 | L722 L726 V755 A758 T762 P763 I764 | L722-K760 HydrophobicContact CD2-CB 4.22Å; L722-K760 HydrophobicContact CD2-CG 4Å; L722-K760 HydrophobicContact CG-CG 4.4Å; L726-K760 HydrophobicContact CD1-CB 4.11Å; L726-K760 HydrophobicContact CD1-CD 4.01Å; L726-K760 HydrophobicContact CD1-CG 4.33Å; V755-K760 HydrophobicContact CG1-CB 4.19Å; V755-K760 PolarHBondContact O-N 3.06Å; A758-K760 HydrophobicContact CB-CG 3.83Å; A758-K760 PolarHBondContact O-N 3.21Å; K760-T762 VanDerWaalsContact C-N 3.35Å; K760-T762 PolarHBondContact O-N 2.96Å; K760-P763 VanDerWaalsContact O-CD 3.3Å; K760-P763 WeakPolarHBondContact O-CD 3.4Å; K760-I764 VanDerWaalsContact O-CG1 3.26Å; K760-I764 WeakPolarHBondContact O-CG1 3.5Å; K760-I764 PolarHBondContact O-N 3.46Å; K760-I764 VanDerWaalsContact O-N 3.09Å | ||
| 761 | I | 92.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 177.1 | -164.8 | 61.1 | 0 | 0 | 0 | 112.5 | M752 L756 I764 L765 I788 L797 Y801 | M752-I761 HydrophobicContact CE-CD1 4.02Å; L756-I761 HydrophobicContact CD2-CB 4.37Å; L756-I761 HydrophobicContact CD2-CG2 4.45Å; I761-I764 WeakPolarHBondContact O-CB 3.37Å; I761-I764 PolarHBondContact O-N 3.01Å; I761-L765 WeakPolarHBondContact O-CG 3.44Å; I761-L765 PolarHBondContact O-N 3.46Å; I761-I788 HydrophobicContact CD1-CG2 4.45Å; I761-L797 HydrophobicContact CG1-CD2 4.31Å; I761-Y801 HydrophobicContact CG1-CE2 4.4Å; I761-Y801 HydrophobicContact CG2-CE1 4.32Å; I761-Y801 HydrophobicContact CG2-CE2 4.01Å; I761-Y801 WeakPolarHBondContact CG2-OH 3.23Å |
| 762 | T | 92.2 | Very high | 92 | Very high | 86 Ų | 86 | 40.5 Ų | 40.5 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -48.3 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | K760 I764 L765 G766 | K760-T762 VanDerWaalsContact C-N 3.35Å; K760-T762 PolarHBondContact O-N 2.96Å; T762-I764 VanDerWaalsContact C-N 3.33Å; T762-I764 PolarHBondContact O-N 3.3Å; T762-L765 PolarHBondContact O-N 3.16Å; T762-G766 PolarHBondContact O-N 3.25Å |
| 763 | P | 93.4 | Very high | 92 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.7 | -41.7 | 169 | -29.3 | 33.4 | 0 | 0 | 0 | 114.7 | L726 K760 L765 G766 V767 | L726-P763 HydrophobicContact CB-CB 4.4Å; L726-P763 HydrophobicContact CD1-CB 3.94Å; L726-P763 HydrophobicContact CD2-CB 4.28Å; L726-P763 HydrophobicContact CG-CB 4.43Å; K760-P763 VanDerWaalsContact O-CD 3.3Å; K760-P763 WeakPolarHBondContact O-CD 3.4Å; P763-L765 VanDerWaalsContact C-N 3.32Å; P763-L765 PolarHBondContact O-N 3.03Å; P763-G766 WeakPolarHBondContact O-CA 3.49Å; P763-G766 PolarHBondContact O-N 3.39Å; P763-V767 PolarHBondContact O-N 3.45Å |
| 764 | I | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 177.1 | -68.5 | 166.9 | 0 | 0 | 0 | 110.7 | L726 L744 L748 V755 K760 I761 T762 G766 V767 F768 L784 I788 | L726-I764 HydrophobicContact CD2-CG1 3.62Å; L744-I764 HydrophobicContact CD2-CG1 4.37Å; L748-I764 HydrophobicContact CD2-CD1 4.19Å; V755-I764 HydrophobicContact CG1-CD1 3.64Å; K760-I764 VanDerWaalsContact O-CG1 3.26Å; K760-I764 WeakPolarHBondContact O-CG1 3.5Å; K760-I764 PolarHBondContact O-N 3.46Å; K760-I764 VanDerWaalsContact O-N 3.09Å; I761-I764 WeakPolarHBondContact O-CB 3.37Å; I761-I764 PolarHBondContact O-N 3.01Å; T762-I764 VanDerWaalsContact C-N 3.33Å; T762-I764 PolarHBondContact O-N 3.3Å; I764-G766 VanDerWaalsContact C-N 3.27Å; I764-G766 PolarHBondContact O-N 3.33Å; I764-V767 WeakPolarHBondContact O-CB 3.49Å; I764-V767 PolarHBondContact O-N 2.89Å; I764-V767 VanDerWaalsContact O-N 3.13Å; I764-F768 PolarHBondContact O-N 3.16Å; I764-L784 HydrophobicContact CG2-CD1 4.17Å; I764-L784 HydrophobicContact CG2-CD2 4.05Å; I764-L784 HydrophobicContact CG2-CG 4.33Å; I764-I788 HydrophobicContact CG2-CD1 4.01Å |
| 765 | L | 93.5 | Very high | 92 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.1 | -29.9 | 173.6 | -67.8 | 175.5 | 0 | 0 | 0 | 112.6 | I761 T762 P763 F768 Q769 I788 Y801 I805 | I761-L765 WeakPolarHBondContact O-CG 3.44Å; I761-L765 PolarHBondContact O-N 3.46Å; T762-L765 PolarHBondContact O-N 3.16Å; P763-L765 VanDerWaalsContact C-N 3.32Å; P763-L765 PolarHBondContact O-N 3.03Å; L765-F768 WeakPolarHBondContact O-CB 3.44Å; L765-F768 PolarHBondContact O-N 2.9Å; L765-Q769 PolarHBondContact O-N 3.45Å; L765-I788 HydrophobicContact CD2-CD1 3.95Å; L765-Y801 HydrophobicContact CD1-CD1 3.38Å; L765-Y801 HydrophobicContact CD1-CE1 4.09Å; L765-Y801 HydrophobicContact CD1-CG 3.72Å; L765-I805 HydrophobicContact CD2-CD1 3.75Å; L765-I805 HydrophobicContact CD2-CG1 4Å |
| 766 | G | 94 | Very high | 91.7 | Very high | 37 Ų | 37 | 45 Ų | 45 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T762 P763 I764 Q769 K770 | T762-G766 PolarHBondContact O-N 3.25Å; P763-G766 WeakPolarHBondContact O-CA 3.49Å; P763-G766 PolarHBondContact O-N 3.39Å; I764-G766 VanDerWaalsContact C-N 3.27Å; I764-G766 PolarHBondContact O-N 3.33Å; G766-Q769 PolarHBondContact O-N 2.84Å; G766-K770 PolarHBondContact O-N 2.86Å |
| 767 | V | 94.7 | Very high | 91.6 | Very high | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 172.1 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | L726 W731 L744 P763 I764 Q769 K770 L771 L784 | L726-V767 HydrophobicContact CD2-CG2 4.21Å; W731-V767 HydrophobicContact CD2-CG1 3.8Å; W731-V767 HydrophobicContact CE3-CG1 3.8Å; W731-V767 HydrophobicContact CH2-CG1 3.53Å; W731-V767 HydrophobicContact CZ2-CG1 3.54Å; W731-V767 HydrophobicContact CZ2-CG2 4.23Å; W731-V767 HydrophobicContact CZ3-CG1 3.67Å; L744-V767 HydrophobicContact CD1-CG1 4.22Å; P763-V767 PolarHBondContact O-N 3.45Å; I764-V767 WeakPolarHBondContact O-CB 3.49Å; I764-V767 PolarHBondContact O-N 2.89Å; I764-V767 VanDerWaalsContact O-N 3.13Å; V767-Q769 VanDerWaalsContact C-N 3.29Å; V767-Q769 PolarHBondContact O-N 2.95Å; V767-K770 WeakPolarHBondContact O-CB 3.25Å; V767-K770 PolarHBondContact O-N 3.45Å; V767-L771 HydrophobicContact CG1-CD1 3.91Å; V767-L771 HydrophobicContact CG1-CG 4.21Å; V767-L771 WeakPolarHBondContact O-CG 3.31Å; V767-L771 PolarHBondContact O-N 2.99Å; V767-L784 HydrophobicContact CG1-CD2 4.32Å |
| 768 | F | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -51.6 | -47.8 | 173.3 | 155 | -103 | 0 | 0 | 0 | 111.7 | I764 L765 K770 L771 V772 A781 L784 L785 I805 I808 I809 | I764-F768 PolarHBondContact O-N 3.16Å; L765-F768 WeakPolarHBondContact O-CB 3.44Å; L765-F768 PolarHBondContact O-N 2.9Å; F768-K770 VanDerWaalsContact C-N 3.31Å; F768-K770 PolarHBondContact O-N 3.36Å; F768-L771 PolarHBondContact O-N 3.43Å; F768-V772 HydrophobicContact CD2-CB 4.42Å; F768-V772 HydrophobicContact CE1-CG1 4.48Å; F768-V772 HydrophobicContact CE2-CB 3.89Å; F768-V772 HydrophobicContact CE2-CG1 4.18Å; F768-V772 HydrophobicContact CE2-CG2 4.14Å; F768-V772 HydrophobicContact CZ-CB 4.23Å; F768-V772 HydrophobicContact CZ-CG1 4.07Å; F768-V772 HydrophobicContact CZ-CG2 4.36Å; F768-V772 WeakPolarHBondContact O-CB 3.37Å; F768-V772 WeakPolarHBondContact O-CG1 3.42Å; F768-V772 PolarHBondContact O-N 2.96Å; F768-A781 HydrophobicContact CD2-CB 3.8Å; F768-A781 HydrophobicContact CE2-CB 4.08Å; F768-L784 HydrophobicContact CB-CD2 4.24Å; F768-L785 HydrophobicContact CD1-CD2 4.42Å; F768-L785 HydrophobicContact CD2-CD1 3.91Å; F768-L785 HydrophobicContact CD2-CD2 3.82Å; F768-L785 HydrophobicContact CD2-CG 3.61Å; F768-L785 HydrophobicContact CE2-CD1 3.34Å; F768-L785 HydrophobicContact CE2-CD2 3.98Å; F768-L785 HydrophobicContact CE2-CG 3.62Å; F768-L785 HydrophobicContact CG-CD2 4.07Å; F768-L785 HydrophobicContact CG-CG 4.36Å; F768-L785 HydrophobicContact CZ-CD1 3.84Å; F768-L785 HydrophobicContact CZ-CD2 4.33Å; F768-L785 HydrophobicContact CZ-CG 4.34Å; F768-I805 HydrophobicContact CE1-CG1 4.45Å; F768-I805 HydrophobicContact CE1-CG2 4.06Å; F768-I805 HydrophobicContact CZ-CG2 3.98Å; F768-I808 HydrophobicContact CE1-CB 4.21Å; F768-I808 HydrophobicContact CE1-CD1 4.11Å; F768-I808 HydrophobicContact CE1-CG2 3.97Å; F768-I808 HydrophobicContact CZ-CG2 4.25Å; F768-I809 HydrophobicContact CZ-CG1 4.07Å |
| 769 | Q | 94.8 | Very high | 91.5 | Very high | 86 Ų | 86 | 38 Ų | 38 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -37.2 | 179 | -175.1 | 178.2 | -5.7 | 0 | 0 | 112.3 | L765 G766 V767 N773 I808 | L765-Q769 PolarHBondContact O-N 3.45Å; G766-Q769 PolarHBondContact O-N 2.84Å; V767-Q769 VanDerWaalsContact C-N 3.29Å; V767-Q769 PolarHBondContact O-N 2.95Å; Q769-N773 WeakPolarHBondContact O-CB 3.36Å; Q769-N773 PolarHBondContact O-N 2.84Å; Q769-N773 PolarHBondContact O-ND2 3.44Å; Q769-I808 HydrophobicContact CB-CD1 4.35Å; Q769-I808 HydrophobicContact CG-CD1 4.27Å; Q769-I808 HydrophobicContact CG-CG2 4.22Å |
| 770 | K | 93 | Very high | 91.5 | Very high | 68 Ų | 68 | 34.9 Ų | 34.9 | 30% | 0.296 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.8 | -47 | 173.5 | 179.5 | 171.7 | 171.2 | 171.5 | 0 | 111.1 | P728 W731 E732 G766 V767 F768 S774 | P728-K770 PolarHBondContact O-NZ 2.94Å; W731-K770 HydrophobicContact CB-CD 4.27Å; W731-K770 PolarHBondContact O-NZ 2.94Å; E732-K770 IonicContact OE1-NZ 3.85Å; E732-K770 PolarHBondContact OE1-NZ 3.29Å; E732-K770 IonicContact OE2-NZ 3.24Å; G766-K770 PolarHBondContact O-N 2.86Å; V767-K770 WeakPolarHBondContact O-CB 3.25Å; V767-K770 PolarHBondContact O-N 3.45Å; F768-K770 VanDerWaalsContact C-N 3.31Å; F768-K770 PolarHBondContact O-N 3.36Å; K770-S774 PolarHBondContact O-N 3.36Å |
| 771 | L | 93.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -46.1 | -177.4 | -64 | 176.4 | 0 | 0 | 0 | 112.5 | W731 V737 V741 V767 F768 N773 S774 N777 D778 A781 | W731-L771 HydrophobicContact CE3-CD1 4.49Å; W731-L771 HydrophobicContact CE3-CD2 4Å; W731-L771 HydrophobicContact CZ3-CD1 3.99Å; W731-L771 HydrophobicContact CZ3-CD2 4.2Å; V737-L771 HydrophobicContact CG1-CD2 3.59Å; V737-L771 HydrophobicContact CG2-CD2 4.46Å; V741-L771 HydrophobicContact CG2-CD1 3.6Å; V767-L771 HydrophobicContact CG1-CD1 3.91Å; V767-L771 HydrophobicContact CG1-CG 4.21Å; V767-L771 WeakPolarHBondContact O-CG 3.31Å; V767-L771 PolarHBondContact O-N 2.99Å; F768-L771 PolarHBondContact O-N 3.43Å; L771-N773 VanDerWaalsContact C-N 3.25Å; L771-N773 PolarHBondContact O-N 3.45Å; L771-S774 WeakPolarHBondContact O-CB 3.35Å; L771-S774 PolarHBondContact O-N 3.29Å; L771-N777 HydrophobicContact CD2-CB 3.87Å; L771-N777 CarbonylContact O-C 3.57Å; L771-D778 PolarHBondContact O-N 3.27Å; L771-A781 HydrophobicContact CB-CB 3.61Å |
| 772 | V | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -27.7 | -177.5 | 74.9 | 0 | 0 | 0 | 0 | 112.7 | F768 S774 A781 I808 R812 F821 | F768-V772 HydrophobicContact CD2-CB 4.42Å; F768-V772 HydrophobicContact CE1-CG1 4.48Å; F768-V772 HydrophobicContact CE2-CB 3.89Å; F768-V772 HydrophobicContact CE2-CG1 4.18Å; F768-V772 HydrophobicContact CE2-CG2 4.14Å; F768-V772 HydrophobicContact CZ-CB 4.23Å; F768-V772 HydrophobicContact CZ-CG1 4.07Å; F768-V772 HydrophobicContact CZ-CG2 4.36Å; F768-V772 WeakPolarHBondContact O-CB 3.37Å; F768-V772 WeakPolarHBondContact O-CG1 3.42Å; F768-V772 PolarHBondContact O-N 2.96Å; V772-S774 VanDerWaalsContact C-N 3.34Å; V772-A781 HydrophobicContact CB-CB 3.77Å; V772-A781 HydrophobicContact CG2-CB 4.4Å; V772-I808 HydrophobicContact CG1-CG2 3.63Å; V772-R812 HydrophobicContact CG2-CG 4.43Å; V772-R812 WeakPolarHBondContact O-CD 3.43Å; V772-R812 PolarHBondContact O-NE 3.44Å; V772-F821 HydrophobicContact CG2-CD2 4.47Å; V772-F821 HydrophobicContact CG2-CE2 3.73Å |
| 773 | N | 91.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 29.1 Ų | 29.1 | 37% | 0.369 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -80.3 | -15.3 | 175 | -73.4 | -41.9 | 0 | 0 | 0 | 113 | Q769 L771 R812 | Q769-N773 WeakPolarHBondContact O-CB 3.36Å; Q769-N773 PolarHBondContact O-N 2.84Å; Q769-N773 PolarHBondContact O-ND2 3.44Å; L771-N773 VanDerWaalsContact C-N 3.25Å; L771-N773 PolarHBondContact O-N 3.45Å; N773-R812 PolarHBondContact O-NH1 2.84Å; N773-R812 PolarHBondContact O-NH2 3.25Å; N773-R812 VanDerWaalsContact O-NH2 3.16Å |
| 774 | S | 88.7 | Confident | 91.3 | Very high | 29 Ų | 29 | 26.5 Ų | 26.5 | 20% | 0.203 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -83.8 | 127.4 | 171.6 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | K770 L771 V772 I776 N777 D778 | K770-S774 PolarHBondContact O-N 3.36Å; L771-S774 WeakPolarHBondContact O-CB 3.35Å; L771-S774 PolarHBondContact O-N 3.29Å; V772-S774 VanDerWaalsContact C-N 3.34Å; S774-I776 PolarHBondContact O-N 3.41Å; S774-I776 PolarHBondContact OG-N 3.43Å; S774-N777 PolarHBondContact O-N 3.19Å; S774-N777 PolarHBondContact OG-N 3.13Å; S774-N777 PolarHBondContact OG-ND2 3.26Å; S774-D778 WeakPolarHBondContact O-CB 3.37Å; S774-D778 PolarHBondContact O-N 3.45Å; S774-D778 VanDerWaalsContact O-N 3.16Å |
| 775 | S | 85.9 | Confident | 91.3 | Very high | 42 Ų | 42 | 26.5 Ų | 26.5 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -6.7 | 178.1 | 80.5 | 0 | 0 | 0 | 0 | 114 | R812 K818 | S775-R812 VanDerWaalsContact CA-NH2 3.29Å; S775-R812 VanDerWaalsContact N-NH2 3.16Å; S775-K818 VanDerWaalsContact CB-NZ 3.3Å; S775-K818 PolarHBondContact OG-NZ 3.21Å |
| 776 | I | 85.3 | Confident | 91.2 | Very high | 96 Ų | 96 | 26.5 Ų | 26.5 | 49% | 0.492 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -39.7 | 176.9 | -60 | 165.8 | 0 | 0 | 0 | 109.4 | S774 K820 | S774-I776 PolarHBondContact O-N 3.41Å; S774-I776 PolarHBondContact OG-N 3.43Å; I776-K820 PolarHBondContact O-NZ 3.11Å; I776-K820 VanDerWaalsContact O-NZ 3.07Å |
| 777 | N | 87.7 | Confident | 91.1 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.064 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 3.1 | -167.1 | -56.5 | -34 | 0 | 0 | 0 | 114.8 | N734 V737 L771 S774 V779 Y780 A781 | N734-N777 PolarHBondContact OD1-ND2 2.92Å; V737-N777 HydrophobicContact CG1-CB 4.16Å; L771-N777 HydrophobicContact CD2-CB 3.87Å; L771-N777 CarbonylContact O-C 3.57Å; S774-N777 PolarHBondContact O-N 3.19Å; S774-N777 PolarHBondContact OG-N 3.13Å; S774-N777 PolarHBondContact OG-ND2 3.26Å; N777-V779 VanDerWaalsContact C-N 3.3Å; N777-V779 PolarHBondContact O-N 2.96Å; N777-Y780 HydrophobicContact CB-CD2 4.28Å; N777-Y780 WeakPolarHBondContact O-CB 3.34Å; N777-Y780 PolarHBondContact O-N 2.91Å; N777-A781 PolarHBondContact O-N 3.32Å |
| 778 | D | 88.1 | Confident | 91.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.4 | -39.4 | -177.1 | 50.8 | 16.5 | 0 | 0 | 0 | 114.3 | L771 S774 Y780 A781 F782 F821 | L771-D778 PolarHBondContact O-N 3.27Å; S774-D778 WeakPolarHBondContact O-CB 3.37Å; S774-D778 PolarHBondContact O-N 3.45Å; S774-D778 VanDerWaalsContact O-N 3.16Å; D778-Y780 VanDerWaalsContact C-N 3.3Å; D778-Y780 PolarHBondContact O-N 3.37Å; D778-A781 WeakPolarHBondContact O-CA 3.28Å; D778-A781 WeakPolarHBondContact O-CB 3.37Å; D778-A781 PolarHBondContact O-N 3.49Å; D778-F782 VanDerWaalsContact O-CD2 3.27Å; D778-F782 WeakPolarHBondContact O-CD2 3.38Å; D778-F782 PolarHBondContact O-N 3.42Å; D778-F821 HydrophobicContact CB-CD2 4.12Å; D778-F821 WeakPolarHBondContact OD2-CB 3.47Å |
| 779 | V | 86.8 | Confident | 91 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.3 | -37.7 | 176 | 167 | 0 | 0 | 0 | 0 | 112.5 | N777 A781 F782 A783 K820 A824 I874 | N777-V779 VanDerWaalsContact C-N 3.3Å; N777-V779 PolarHBondContact O-N 2.96Å; V779-A781 PolarHBondContact O-N 3.39Å; V779-F782 PolarHBondContact O-N 3.32Å; V779-F782 VanDerWaalsContact O-N 3.16Å; V779-A783 PolarHBondContact O-N 3.02Å; V779-K820 HydrophobicContact CG2-CD 3.9Å; V779-K820 HydrophobicContact CG2-CG 3.48Å; V779-K820 VanDerWaalsContact CG2-CG 3.48Å; V779-A824 HydrophobicContact CG2-CB 3.95Å; V779-I874 HydrophobicContact CG1-CD1 3.81Å; V779-I874 HydrophobicContact CG1-CG1 3.37Å |
| 780 | Y | 90.1 | Very high | 90.8 | Very high | 57 Ų | 57 | 20.5 Ų | 20.5 | 22% | 0.224 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.3 | -27.1 | 175.7 | -61 | -65.6 | 0 | 0 | 0 | 112.1 | V737 P738 N777 D778 F782 A783 L784 | V737-Y780 HydrophobicContact CG1-CD2 3.8Å; V737-Y780 HydrophobicContact CG1-CE2 4.48Å; V737-Y780 HydrophobicContact CG1-CG 4.13Å; P738-Y780 HydrophobicContact CB-CE1 3.76Å; P738-Y780 HydrophobicContact CG-CE1 4.09Å; P738-Y780 HydrophobicContact CG-CE2 4.02Å; P738-Y780 WeakPolarHBondContact CG-OH 3.46Å; N777-Y780 HydrophobicContact CB-CD2 4.28Å; N777-Y780 WeakPolarHBondContact O-CB 3.34Å; N777-Y780 PolarHBondContact O-N 2.91Å; D778-Y780 VanDerWaalsContact C-N 3.3Å; D778-Y780 PolarHBondContact O-N 3.37Å; Y780-F782 VanDerWaalsContact C-N 3.35Å; Y780-A783 PolarHBondContact O-N 3.01Å; Y780-L784 WeakPolarHBondContact O-CB 3.49Å; Y780-L784 PolarHBondContact O-N 2.7Å |
| 781 | A | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F768 L771 V772 N777 D778 V779 L784 L785 | F768-A781 HydrophobicContact CD2-CB 3.8Å; F768-A781 HydrophobicContact CE2-CB 4.08Å; L771-A781 HydrophobicContact CB-CB 3.61Å; V772-A781 HydrophobicContact CB-CB 3.77Å; V772-A781 HydrophobicContact CG2-CB 4.4Å; N777-A781 PolarHBondContact O-N 3.32Å; D778-A781 WeakPolarHBondContact O-CA 3.28Å; D778-A781 WeakPolarHBondContact O-CB 3.37Å; D778-A781 PolarHBondContact O-N 3.49Å; V779-A781 PolarHBondContact O-N 3.39Å; A781-L784 PolarHBondContact O-N 3.4Å; A781-L785 WeakPolarHBondContact O-CG 3.4Å; A781-L785 PolarHBondContact O-N 2.97Å |
| 782 | F | 92.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.2 | -34.8 | 177.1 | -71.5 | -75.3 | 0 | 0 | 0 | 113 | D778 V779 Y780 L784 L785 N786 I809 F821 A824 F825 F828 | D778-F782 VanDerWaalsContact O-CD2 3.27Å; D778-F782 WeakPolarHBondContact O-CD2 3.38Å; D778-F782 PolarHBondContact O-N 3.42Å; V779-F782 PolarHBondContact O-N 3.32Å; V779-F782 VanDerWaalsContact O-N 3.16Å; Y780-F782 VanDerWaalsContact C-N 3.35Å; F782-L784 VanDerWaalsContact C-N 3.32Å; F782-L784 PolarHBondContact O-N 3.44Å; F782-L785 HydrophobicContact CD1-CD1 4.14Å; F782-L785 HydrophobicContact CE1-CD1 4.43Å; F782-L785 PolarHBondContact O-N 2.91Å; F782-N786 PolarHBondContact O-N 3.16Å; F782-I809 HydrophobicContact CE1-CD1 4.09Å; F782-F821 AromaticContact CE2-CD2 3.72Å; F782-F821 HydrophobicContact CE2-CD2 3.72Å; F782-F821 AromaticContact CE2-CE2 3.72Å; F782-F821 HydrophobicContact CE2-CE2 3.72Å; F782-F821 HydrophobicContact CZ-CD2 4.18Å; F782-F821 AromaticContact CZ-CE2 3.75Å; F782-F821 HydrophobicContact CZ-CE2 3.75Å; F782-F821 HydrophobicContact CZ-CZ 4.28Å; F782-A824 HydrophobicContact CB-CB 4.19Å; F782-A824 HydrophobicContact CD2-CB 3.32Å; F782-A824 HydrophobicContact CE2-CB 3.82Å; F782-A824 HydrophobicContact CG-CB 3.86Å; F782-F825 HydrophobicContact CE1-CB 3.95Å; F782-F825 AromaticContact CE1-CD2 3.89Å; F782-F825 HydrophobicContact CE1-CD2 3.89Å; F782-F825 HydrophobicContact CE1-CG 4.27Å; F782-F825 HydrophobicContact CE2-CB 4.43Å; F782-F825 HydrophobicContact CZ-CB 3.65Å; F782-F825 HydrophobicContact CZ-CD2 4.27Å; F782-F825 HydrophobicContact CZ-CG 4.2Å; F782-F828 HydrophobicContact CD1-CB 3.6Å; F782-F828 HydrophobicContact CD1-CD1 4.32Å; F782-F828 HydrophobicContact CD1-CD2 4.42Å; F782-F828 AromaticContact CD1-CG 3.87Å; F782-F828 HydrophobicContact CD1-CG 3.87Å; F782-F828 HydrophobicContact CE1-CB 4.09Å; F782-F828 HydrophobicContact CE1-CD1 4.34Å; F782-F828 HydrophobicContact CE1-CG 4.31Å |
| 783 | A | 89.4 | Confident | 90.5 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 10% | 0.099 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V741 Q745 V779 Y780 N786 A787 | V741-A783 HydrophobicContact CG1-CB 4.2Å; Q745-A783 PolarHBondContact NE2-O 3.45Å; V779-A783 PolarHBondContact O-N 3.02Å; Y780-A783 PolarHBondContact O-N 3.01Å; A783-N786 PolarHBondContact O-N 3.2Å; A783-A787 PolarHBondContact O-N 2.85Å |
| 784 | L | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 174.6 | -176.1 | 61.5 | 0 | 0 | 0 | 111.8 | V741 L744 L748 I764 V767 F768 Y780 A781 F782 N786 A787 I788 | V741-L784 HydrophobicContact CG1-CB 4.38Å; L744-L784 HydrophobicContact CB-CD1 3.76Å; L744-L784 HydrophobicContact CD1-CD1 4.22Å; L744-L784 HydrophobicContact CD1-CD2 4.28Å; L748-L784 HydrophobicContact CD1-CD1 3.6Å; I764-L784 HydrophobicContact CG2-CD1 4.17Å; I764-L784 HydrophobicContact CG2-CD2 4.05Å; I764-L784 HydrophobicContact CG2-CG 4.33Å; V767-L784 HydrophobicContact CG1-CD2 4.32Å; F768-L784 HydrophobicContact CB-CD2 4.24Å; Y780-L784 WeakPolarHBondContact O-CB 3.49Å; Y780-L784 PolarHBondContact O-N 2.7Å; A781-L784 PolarHBondContact O-N 3.4Å; F782-L784 VanDerWaalsContact C-N 3.32Å; F782-L784 PolarHBondContact O-N 3.44Å; L784-N786 VanDerWaalsContact C-N 3.34Å; L784-N786 PolarHBondContact O-N 3.4Å; L784-A787 PolarHBondContact O-N 3.21Å; L784-I788 HydrophobicContact CG-CD1 4.35Å; L784-I788 WeakPolarHBondContact O-CG1 3.24Å; L784-I788 PolarHBondContact O-N 3.47Å |
| 785 | L | 94 | Very high | 90.4 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 175.8 | -74.9 | -176.7 | 0 | 0 | 0 | 112.8 | F768 A781 F782 A787 I788 L789 I805 I809 F828 | F768-L785 HydrophobicContact CD1-CD2 4.42Å; F768-L785 HydrophobicContact CD2-CD1 3.91Å; F768-L785 HydrophobicContact CD2-CD2 3.82Å; F768-L785 HydrophobicContact CD2-CG 3.61Å; F768-L785 HydrophobicContact CE2-CD1 3.34Å; F768-L785 HydrophobicContact CE2-CD2 3.98Å; F768-L785 HydrophobicContact CE2-CG 3.62Å; F768-L785 HydrophobicContact CG-CD2 4.07Å; F768-L785 HydrophobicContact CG-CG 4.36Å; F768-L785 HydrophobicContact CZ-CD1 3.84Å; F768-L785 HydrophobicContact CZ-CD2 4.33Å; F768-L785 HydrophobicContact CZ-CG 4.34Å; A781-L785 WeakPolarHBondContact O-CG 3.4Å; A781-L785 PolarHBondContact O-N 2.97Å; F782-L785 HydrophobicContact CD1-CD1 4.14Å; F782-L785 HydrophobicContact CE1-CD1 4.43Å; F782-L785 PolarHBondContact O-N 2.91Å; L785-A787 VanDerWaalsContact C-N 3.29Å; L785-A787 PolarHBondContact O-N 3.38Å; L785-I788 HydrophobicContact CD2-CD1 4.42Å; L785-I788 PolarHBondContact O-N 3.31Å; L785-L789 VanDerWaalsContact O-CB 3.25Å; L785-L789 WeakPolarHBondContact O-CB 3.5Å; L785-L789 PolarHBondContact O-N 2.7Å; L785-I805 HydrophobicContact CD1-CG2 3.82Å; L785-I805 HydrophobicContact CD2-CD1 3.97Å; L785-I805 HydrophobicContact CD2-CG1 4.39Å; L785-I805 HydrophobicContact CD2-CG2 3.78Å; L785-I805 HydrophobicContact CG-CG2 4.48Å; L785-I809 HydrophobicContact CD1-CD1 4.11Å; L785-F828 HydrophobicContact CB-CD2 4.04Å; L785-F828 HydrophobicContact CB-CE2 3.55Å; L785-F828 HydrophobicContact CB-CZ 4.05Å; L785-F828 HydrophobicContact CD1-CE1 4.22Å; L785-F828 HydrophobicContact CD1-CE2 4.19Å; L785-F828 HydrophobicContact CD1-CZ 3.99Å; L785-F828 HydrophobicContact CG-CE2 4.49Å |
| 786 | N | 91.8 | Very high | 90.6 | Very high | 19 Ų | 19 | 25.9 Ų | 25.9 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -38.4 | 176 | -84 | -22.1 | 0 | 0 | 0 | 111.8 | F782 A783 L784 L790 F828 H831 L992 | F782-N786 PolarHBondContact O-N 3.16Å; A783-N786 PolarHBondContact O-N 3.2Å; L784-N786 VanDerWaalsContact C-N 3.34Å; L784-N786 PolarHBondContact O-N 3.4Å; N786-L790 VanDerWaalsContact O-CB 3.3Å; N786-L790 WeakPolarHBondContact O-CB 3.5Å; N786-L790 PolarHBondContact O-N 3.1Å; N786-F828 VanDerWaalsContact OD1-CD2 3.29Å; N786-F828 WeakPolarHBondContact OD1-CD2 3.38Å; N786-H831 WeakPolarHBondContact OD1-CB 3.46Å; N786-L992 HydrophobicContact CB-CD1 4.16Å |
| 787 | A | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.4 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q745 L748 A783 L784 L785 L789 L790 S791 | Q745-A787 HydrophobicContact CB-CB 3.94Å; Q745-A787 HydrophobicContact CG-CB 3.67Å; L748-A787 HydrophobicContact CB-CB 4.3Å; L748-A787 HydrophobicContact CD1-CB 3.93Å; A783-A787 PolarHBondContact O-N 2.85Å; L784-A787 PolarHBondContact O-N 3.21Å; L785-A787 VanDerWaalsContact C-N 3.29Å; L785-A787 PolarHBondContact O-N 3.38Å; A787-L789 VanDerWaalsContact C-N 3.31Å; A787-L789 PolarHBondContact O-N 3.08Å; A787-L790 PolarHBondContact O-N 3.02Å; A787-S791 PolarHBondContact O-N 3.45Å; A787-S791 PolarHBondContact O-OG 2.87Å; A787-S791 VanDerWaalsContact O-OG 3.07Å |
| 788 | I | 93.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.9 | -67.1 | 172.1 | 0 | 0 | 0 | 110.7 | L748 I761 I764 L765 L784 L785 L790 G792 L797 | L748-I788 HydrophobicContact CD1-CG1 3.55Å; L748-I788 HydrophobicContact CD2-CG1 4.13Å; L748-I788 HydrophobicContact CG-CG1 4.5Å; I761-I788 HydrophobicContact CD1-CG2 4.45Å; I764-I788 HydrophobicContact CG2-CD1 4.01Å; L765-I788 HydrophobicContact CD2-CD1 3.95Å; L784-I788 HydrophobicContact CG-CD1 4.35Å; L784-I788 WeakPolarHBondContact O-CG1 3.24Å; L784-I788 PolarHBondContact O-N 3.47Å; L785-I788 HydrophobicContact CD2-CD1 4.42Å; L785-I788 PolarHBondContact O-N 3.31Å; I788-L790 VanDerWaalsContact C-N 3.33Å; I788-G792 PolarHBondContact O-N 3.34Å; I788-L797 HydrophobicContact CG2-CD1 3.6Å; I788-L797 WeakPolarHBondContact O-CD1 3.49Å |
| 789 | L | 92.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 178 | 176.4 | 72.2 | 0 | 0 | 0 | 111.7 | L785 A787 F802 F828 H831 M832 I835 Y836 | L785-L789 VanDerWaalsContact O-CB 3.25Å; L785-L789 WeakPolarHBondContact O-CB 3.5Å; L785-L789 PolarHBondContact O-N 2.7Å; A787-L789 VanDerWaalsContact C-N 3.31Å; A787-L789 PolarHBondContact O-N 3.08Å; L789-F802 HydrophobicContact CB-CZ 4.31Å; L789-F802 HydrophobicContact CD1-CE1 4.08Å; L789-F802 HydrophobicContact CD1-CZ 3.66Å; L789-F828 HydrophobicContact CD2-CE2 4.26Å; L789-H831 HydrophobicContact CD2-CB 4.34Å; L789-M832 HydrophobicContact CD1-CE 3.95Å; L789-M832 HydrophobicContact CD1-CG 3.97Å; L789-M832 HydrophobicContact CD2-CB 4.31Å; L789-M832 HydrophobicContact CD2-CG 3.71Å; L789-M832 HydrophobicContact CG-CG 4.47Å; L789-I835 HydrophobicContact CB-CD1 4.45Å; L789-I835 HydrophobicContact CD1-CB 4.49Å; L789-I835 HydrophobicContact CD1-CG2 4.47Å; L789-I835 HydrophobicContact CD2-CD1 3.74Å; L789-I835 HydrophobicContact CG-CB 4.33Å; L789-I835 HydrophobicContact CG-CD1 3.58Å; L789-I835 HydrophobicContact CG-CG2 4.49Å; L789-Y836 HydrophobicContact CD1-CD2 3.6Å; L789-Y836 HydrophobicContact CD1-CE2 3.19Å; L789-Y836 HydrophobicContact CD1-CG 4.43Å |
| 790 | L | 92 | Very high | 90.6 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.9 | -37.1 | -177.4 | -177.2 | 58.6 | 0 | 0 | 0 | 113.3 | V689 N692 L749 N786 A787 I788 I835 L992 P993 L995 | V689-L790 HydrophobicContact CG1-CD2 4.32Å; V689-L790 HydrophobicContact CG1-CG 4.22Å; V689-L790 HydrophobicContact CG2-CG 4.32Å; N692-L790 HydrophobicContact CB-CD1 4.06Å; N692-L790 PolarHBondContact ND2-O 3.21Å; L749-L790 HydrophobicContact CD2-CB 4.33Å; L749-L790 HydrophobicContact CD2-CD2 3.77Å; L749-L790 HydrophobicContact CD2-CG 4.12Å; N786-L790 VanDerWaalsContact O-CB 3.3Å; N786-L790 WeakPolarHBondContact O-CB 3.5Å; N786-L790 PolarHBondContact O-N 3.1Å; A787-L790 PolarHBondContact O-N 3.02Å; I788-L790 VanDerWaalsContact C-N 3.33Å; L790-I835 HydrophobicContact CB-CD1 4.12Å; L790-I835 HydrophobicContact CD1-CD1 3.91Å; L790-L992 HydrophobicContact CD2-CD2 3.82Å; L790-P993 HydrophobicContact CD2-CB 4.26Å; L790-P993 HydrophobicContact CD2-CG 4.19Å; L790-L995 HydrophobicContact CD1-CD1 4.47Å; L790-L995 HydrophobicContact CD1-CD2 3.45Å; L790-L995 VanDerWaalsContact CD1-CD2 3.45Å; L790-L995 HydrophobicContact CD1-CG 4.06Å |
| 791 | S | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -102.1 | -20 | -170.2 | 72.4 | 0 | 0 | 0 | 0 | 115.9 | T688 L748 A787 | T688-S791 WeakPolarHBondContact CB-O 3.36Å; T688-S791 VanDerWaalsContact CG2-O 3.31Å; T688-S791 WeakPolarHBondContact CG2-O 3.47Å; T688-S791 PolarHBondContact OG1-O 3.37Å; L748-S791 WeakPolarHBondContact O-CB 3.26Å; L748-S791 PolarHBondContact O-OG 3.41Å; A787-S791 PolarHBondContact O-N 3.45Å; A787-S791 PolarHBondContact O-OG 2.87Å; A787-S791 VanDerWaalsContact O-OG 3.07Å |
| 792 | G | 89.2 | Confident | 90.7 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -86.5 | 142.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I788 K794 | I788-G792 PolarHBondContact O-N 3.34Å; G792-K794 PolarHBondContact O-N 3.06Å |
| 793 | P | 90.2 | Very high | 90.7 | Very high | 34 Ų | 34 | 35 Ų | 35 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | trans | -60.4 | 122.9 | 175.2 | -22.4 | 33.7 | 0 | 0 | 0 | 111.1 | L756 D795 I796 L797 | L756-P793 HydrophobicContact CD1-CG 4.08Å; P793-D795 VanDerWaalsContact C-N 3.27Å; P793-D795 PolarHBondContact O-N 2.9Å; P793-I796 HydrophobicContact CB-CB 4.44Å; P793-I796 HydrophobicContact CB-CD1 4.07Å; P793-I796 HydrophobicContact CB-CG1 4.21Å; P793-I796 HydrophobicContact CG-CD1 4.12Å; P793-I796 PolarHBondContact O-N 3.43Å; P793-L797 PolarHBondContact O-N 3.09Å | ||
| 794 | K | 89.6 | Confident | 90.8 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -52.4 | -44.7 | -177.3 | -179.8 | 175.2 | 174.9 | 177.2 | 0 | 112.7 | G792 I796 L797 M798 Y836 E840 | G792-K794 PolarHBondContact O-N 3.06Å; K794-I796 PolarHBondContact O-N 2.96Å; K794-L797 PolarHBondContact O-N 3.23Å; K794-M798 HydrophobicContact CG-CB 4.42Å; K794-M798 HydrophobicContact CG-SD 4.39Å; K794-M798 VanDerWaalsContact O-CB 3.23Å; K794-M798 WeakPolarHBondContact O-CB 3.48Å; K794-M798 PolarHBondContact O-N 2.91Å; K794-Y836 HydrophobicContact CB-CE1 3.85Å; K794-Y836 HydrophobicContact CD-CD1 3.79Å; K794-Y836 HydrophobicContact CD-CE1 3.72Å; K794-Y836 HydrophobicContact CG-CD1 4.08Å; K794-Y836 HydrophobicContact CG-CE1 3.56Å; K794-E840 VanDerWaalsContact CE-OE1 3.24Å; K794-E840 WeakPolarHBondContact CE-OE1 3.36Å; K794-E840 IonicContact NZ-OE1 3.89Å; K794-E840 PolarHBondContact NZ-OE1 3.3Å; K794-E840 IonicContact NZ-OE2 2.95Å; K794-E840 PolarHBondContact NZ-OE2 3.01Å |
| 795 | D | 88.9 | Confident | 90.9 | Very high | 144 Ų | 144 | 40.3 Ų | 40.3 | 77% | 0.77 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.7 | -23.3 | -177.2 | -56.4 | -42.8 | 0 | 0 | 0 | 113.3 | P793 P799 | P793-D795 VanDerWaalsContact C-N 3.27Å; P793-D795 PolarHBondContact O-N 2.9Å; D795-P799 WeakPolarHBondContact O-CD 3.35Å; D795-P799 WeakPolarHBondContact O-CG 3.38Å |
| 796 | I | 88.8 | Confident | 91 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -90.9 | -50.7 | 176.3 | -60 | 177.4 | 0 | 0 | 0 | 109.7 | L756 P793 K794 T800 | L756-I796 HydrophobicContact CD1-CD1 4.41Å; P793-I796 HydrophobicContact CB-CB 4.44Å; P793-I796 HydrophobicContact CB-CD1 4.07Å; P793-I796 HydrophobicContact CB-CG1 4.21Å; P793-I796 HydrophobicContact CG-CD1 4.12Å; P793-I796 PolarHBondContact O-N 3.43Å; K794-I796 PolarHBondContact O-N 2.96Å; I796-T800 WeakPolarHBondContact O-CB 3.48Å; I796-T800 PolarHBondContact O-OG1 3.29Å |
| 797 | L | 88.1 | Confident | 91.1 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.8 | -45.5 | -168.6 | -68.2 | -167.1 | 0 | 0 | 0 | 113.5 | I761 I788 P793 K794 T800 Y801 F802 | I761-L797 HydrophobicContact CG1-CD2 4.31Å; I788-L797 HydrophobicContact CG2-CD1 3.6Å; I788-L797 WeakPolarHBondContact O-CD1 3.49Å; P793-L797 PolarHBondContact O-N 3.09Å; K794-L797 PolarHBondContact O-N 3.23Å; L797-T800 PolarHBondContact O-N 3.49Å; L797-Y801 HydrophobicContact CD2-CD2 3.72Å; L797-Y801 HydrophobicContact CD2-CE2 4.12Å; L797-Y801 PolarHBondContact O-N 3.33Å; L797-F802 HydrophobicContact CB-CD2 4.04Å; L797-F802 HydrophobicContact CB-CE2 3.81Å; L797-F802 HydrophobicContact CD1-CE2 4.23Å; L797-F802 PolarHBondContact O-N 2.91Å |
| 798 | M | 86.7 | Confident | 91.2 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -59.9 | -52.1 | -172.2 | -168.9 | -178.7 | 178.2 | 0 | 0 | 112.5 | K794 E840 L844 | K794-M798 HydrophobicContact CG-CB 4.42Å; K794-M798 HydrophobicContact CG-SD 4.39Å; K794-M798 VanDerWaalsContact O-CB 3.23Å; K794-M798 WeakPolarHBondContact O-CB 3.48Å; K794-M798 PolarHBondContact O-N 2.91Å; M798-E840 HydrophobicContact CE-CB 3.88Å; M798-E840 HydrophobicContact CE-CG 4.35Å; M798-L844 HydrophobicContact CE-CB 4.39Å |
| 799 | P | 86.6 | Confident | 91.3 | Very high | 95 Ų | 95 | 45.2 Ų | 45.2 | 62% | 0.617 | 23% | 0.228 | S | C | * | . | I | π-helix | trans | -72.6 | -30.5 | 179.5 | 28 | -34.4 | 0 | 0 | 0 | 113.3 | D795 | D795-P799 WeakPolarHBondContact O-CD 3.35Å; D795-P799 WeakPolarHBondContact O-CG 3.38Å |
| 800 | T | 86.5 | Confident | 91.4 | Very high | 68 Ų | 68 | 46.2 Ų | 46.2 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -88.4 | -43.8 | -168.3 | -48.1 | 0 | 0 | 0 | 0 | 113.2 | I796 L797 | I796-T800 WeakPolarHBondContact O-CB 3.48Å; I796-T800 PolarHBondContact O-OG1 3.29Å; L797-T800 PolarHBondContact O-N 3.49Å |
| 801 | Y | 92.6 | Very high | 91.4 | Very high | 41 Ų | 41 | 54 Ų | 54 | 16% | 0.161 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -119.7 | -35.1 | -165.1 | -58.7 | -69.6 | 0 | 0 | 0 | 114.1 | I761 L765 L797 R803 Q804 I805 | I761-Y801 HydrophobicContact CG1-CE2 4.4Å; I761-Y801 HydrophobicContact CG2-CE1 4.32Å; I761-Y801 HydrophobicContact CG2-CE2 4.01Å; I761-Y801 WeakPolarHBondContact CG2-OH 3.23Å; L765-Y801 HydrophobicContact CD1-CD1 3.38Å; L765-Y801 HydrophobicContact CD1-CE1 4.09Å; L765-Y801 HydrophobicContact CD1-CG 3.72Å; L797-Y801 HydrophobicContact CD2-CD2 3.72Å; L797-Y801 HydrophobicContact CD2-CE2 4.12Å; L797-Y801 PolarHBondContact O-N 3.33Å; Y801-R803 VanDerWaalsContact C-N 3.31Å; Y801-R803 PolarHBondContact O-N 3.45Å; Y801-Q804 WeakPolarHBondContact O-CB 3.34Å; Y801-Q804 PolarHBondContact O-N 3.47Å; Y801-I805 WeakPolarHBondContact O-CG1 3.26Å; Y801-I805 PolarHBondContact O-N 3.37Å |
| 802 | F | 93.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -62.9 | -35.1 | -171.5 | -90.9 | -86.9 | 0 | 0 | 0 | 113.6 | L789 L797 Q804 I805 F806 F828 M832 Y836 L844 | L789-F802 HydrophobicContact CB-CZ 4.31Å; L789-F802 HydrophobicContact CD1-CE1 4.08Å; L789-F802 HydrophobicContact CD1-CZ 3.66Å; L797-F802 HydrophobicContact CB-CD2 4.04Å; L797-F802 HydrophobicContact CB-CE2 3.81Å; L797-F802 HydrophobicContact CD1-CE2 4.23Å; L797-F802 PolarHBondContact O-N 2.91Å; F802-Q804 VanDerWaalsContact C-N 3.29Å; F802-Q804 PolarHBondContact O-N 3.48Å; F802-I805 HydrophobicContact CD1-CD1 4.46Å; F802-I805 HydrophobicContact CG-CD1 4.49Å; F802-I805 PolarHBondContact O-N 3.43Å; F802-F806 HydrophobicContact CD1-CE2 4.22Å; F802-F806 WeakPolarHBondContact O-CD2 3.49Å; F802-F806 PolarHBondContact O-N 2.95Å; F802-F828 HydrophobicContact CE1-CZ 4.09Å; F802-M832 HydrophobicContact CD1-CE 3.56Å; F802-M832 HydrophobicContact CD1-SD 4.2Å; F802-M832 HydrophobicContact CE1-CE 3.33Å; F802-M832 HydrophobicContact CE1-SD 3.88Å; F802-M832 HydrophobicContact CZ-CE 4.16Å; F802-Y836 HydrophobicContact CE1-CE2 4.39Å; F802-Y836 AromaticContact CE2-CE2 3.94Å; F802-Y836 HydrophobicContact CE2-CE2 3.94Å; F802-Y836 AromaticContact CZ-CE2 3.88Å; F802-Y836 HydrophobicContact CZ-CE2 3.88Å; F802-L844 HydrophobicContact CB-CD1 4.2Å; F802-L844 HydrophobicContact CB-CD2 3.86Å; F802-L844 HydrophobicContact CD1-CD2 4.43Å; F802-L844 HydrophobicContact CG-CD2 4.44Å |
| 803 | R | 93 | Very high | 91.4 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 48% | 0.475 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 172.8 | -170 | 180 | 179.5 | 169.8 | 3.2 | 112 | Y801 M807 G847 I848 | Y801-R803 VanDerWaalsContact C-N 3.31Å; Y801-R803 PolarHBondContact O-N 3.45Å; R803-M807 WeakPolarHBondContact O-CG 3.45Å; R803-M807 PolarHBondContact O-N 3.27Å; R803-M807 VanDerWaalsContact O-N 3.17Å; R803-G847 PolarHBondContact NH2-O 3.08Å; R803-I848 HydrophobicContact CG-CD1 4.26Å; R803-I848 HydrophobicContact CG-CG1 3.76Å |
| 804 | Q | 92.6 | Very high | 91.3 | Very high | 120 Ų | 120 | 62.4 Ų | 62.4 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.3 | -40.1 | 178.8 | -61.3 | -179.8 | 6.3 | 0 | 0 | 111.7 | Y801 F802 F806 M807 I808 | Y801-Q804 WeakPolarHBondContact O-CB 3.34Å; Y801-Q804 PolarHBondContact O-N 3.47Å; F802-Q804 VanDerWaalsContact C-N 3.29Å; F802-Q804 PolarHBondContact O-N 3.48Å; Q804-F806 PolarHBondContact O-N 2.98Å; Q804-M807 WeakPolarHBondContact O-CB 3.48Å; Q804-M807 PolarHBondContact O-N 3.24Å; Q804-I808 WeakPolarHBondContact O-CG1 3.35Å; Q804-I808 PolarHBondContact O-N 3.27Å |
| 805 | I | 95.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 175.9 | -67.2 | 168.1 | 0 | 0 | 0 | 110.3 | L765 F768 L785 Y801 F802 M807 I808 I809 | L765-I805 HydrophobicContact CD2-CD1 3.75Å; L765-I805 HydrophobicContact CD2-CG1 4Å; F768-I805 HydrophobicContact CE1-CG1 4.45Å; F768-I805 HydrophobicContact CE1-CG2 4.06Å; F768-I805 HydrophobicContact CZ-CG2 3.98Å; L785-I805 HydrophobicContact CD1-CG2 3.82Å; L785-I805 HydrophobicContact CD2-CD1 3.97Å; L785-I805 HydrophobicContact CD2-CG1 4.39Å; L785-I805 HydrophobicContact CD2-CG2 3.78Å; L785-I805 HydrophobicContact CG-CG2 4.48Å; Y801-I805 WeakPolarHBondContact O-CG1 3.26Å; Y801-I805 PolarHBondContact O-N 3.37Å; F802-I805 HydrophobicContact CD1-CD1 4.46Å; F802-I805 HydrophobicContact CG-CD1 4.49Å; F802-I805 PolarHBondContact O-N 3.43Å; I805-M807 PolarHBondContact O-N 3.22Å; I805-I808 WeakPolarHBondContact O-CB 3.48Å; I805-I808 PolarHBondContact O-N 3.44Å; I805-I809 HydrophobicContact CG2-CD1 3.92Å; I805-I809 WeakPolarHBondContact O-CG1 3.43Å; I805-I809 PolarHBondContact O-N 2.98Å |
| 806 | F | 95.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 177.4 | -86.4 | -76.5 | 0 | 0 | 0 | 112.7 | F802 Q804 I808 I809 F810 F825 F828 M832 L841 L844 V845 I848 | F802-F806 HydrophobicContact CD1-CE2 4.22Å; F802-F806 WeakPolarHBondContact O-CD2 3.49Å; F802-F806 PolarHBondContact O-N 2.95Å; Q804-F806 PolarHBondContact O-N 2.98Å; F806-I808 VanDerWaalsContact C-N 3.3Å; F806-I808 PolarHBondContact O-N 3.49Å; F806-I809 PolarHBondContact O-N 3.44Å; F806-F810 HydrophobicContact CB-CD2 4.39Å; F806-F810 HydrophobicContact CB-CE2 3.88Å; F806-F810 HydrophobicContact CB-CZ 4.31Å; F806-F810 HydrophobicContact CD1-CE1 4.27Å; F806-F810 HydrophobicContact CD1-CE2 4.14Å; F806-F810 AromaticContact CD1-CZ 3.69Å; F806-F810 HydrophobicContact CD1-CZ 3.69Å; F806-F810 HydrophobicContact CG-CE2 4.45Å; F806-F810 HydrophobicContact CG-CZ 4.42Å; F806-F810 WeakPolarHBondContact O-CB 3.39Å; F806-F810 WeakPolarHBondContact O-CD2 3.42Å; F806-F810 WeakPolarHBondContact O-CG 3.46Å; F806-F810 PolarHBondContact O-N 3.4Å; F806-F825 HydrophobicContact CD1-CE2 4.41Å; F806-F825 HydrophobicContact CD1-CZ 4.37Å; F806-F825 AromaticContact CE1-CE2 3.88Å; F806-F825 HydrophobicContact CE1-CE2 3.88Å; F806-F825 HydrophobicContact CE1-CZ 4.09Å; F806-F828 HydrophobicContact CZ-CE1 4.29Å; F806-M832 HydrophobicContact CE2-CE 4.25Å; F806-M832 HydrophobicContact CE2-SD 3.75Å; F806-M832 HydrophobicContact CZ-SD 3.6Å; F806-L841 HydrophobicContact CE1-CD1 4.41Å; F806-L841 HydrophobicContact CE2-CD1 4.16Å; F806-L841 HydrophobicContact CZ-CD1 3.58Å; F806-L844 HydrophobicContact CD2-CD2 3.86Å; F806-L844 HydrophobicContact CD2-CG 4.37Å; F806-L844 HydrophobicContact CE2-CD2 3.56Å; F806-L844 HydrophobicContact CE2-CG 4.43Å; F806-V845 HydrophobicContact CD1-CG2 3.91Å; F806-V845 HydrophobicContact CD2-CG2 4.43Å; F806-V845 HydrophobicContact CE1-CG2 3.81Å; F806-V845 HydrophobicContact CE2-CG2 4.36Å; F806-V845 HydrophobicContact CG-CG2 4.23Å; F806-V845 HydrophobicContact CZ-CG2 4.06Å; F806-I848 HydrophobicContact CB-CD1 3.66Å |
| 807 | M | 93.9 | Very high | 90.4 | Very high | 90 Ų | 90 | 62.3 Ų | 62.3 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -40 | 173.6 | -75.2 | -177.8 | 169 | 0 | 0 | 112.6 | R803 Q804 I805 F810 R811 I848 | R803-M807 WeakPolarHBondContact O-CG 3.45Å; R803-M807 PolarHBondContact O-N 3.27Å; R803-M807 VanDerWaalsContact O-N 3.17Å; Q804-M807 WeakPolarHBondContact O-CB 3.48Å; Q804-M807 PolarHBondContact O-N 3.24Å; I805-M807 PolarHBondContact O-N 3.22Å; M807-F810 PolarHBondContact O-N 2.98Å; M807-R811 WeakPolarHBondContact O-CB 3.34Å; M807-R811 PolarHBondContact O-N 2.97Å; M807-I848 HydrophobicContact CE-CG2 3.88Å; M807-I848 HydrophobicContact CG-CD1 4.4Å; M807-I848 HydrophobicContact CG-CG2 4.37Å |
| 808 | I | 94.6 | Very high | 90.3 | Very high | 35 Ų | 35 | 66.7 Ų | 66.7 | 18% | 0.179 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 175.8 | -66.2 | 165.9 | 0 | 0 | 0 | 110.7 | F768 Q769 V772 Q804 I805 F806 F810 R811 R812 | F768-I808 HydrophobicContact CE1-CB 4.21Å; F768-I808 HydrophobicContact CE1-CD1 4.11Å; F768-I808 HydrophobicContact CE1-CG2 3.97Å; F768-I808 HydrophobicContact CZ-CG2 4.25Å; Q769-I808 HydrophobicContact CB-CD1 4.35Å; Q769-I808 HydrophobicContact CG-CD1 4.27Å; Q769-I808 HydrophobicContact CG-CG2 4.22Å; V772-I808 HydrophobicContact CG1-CG2 3.63Å; Q804-I808 WeakPolarHBondContact O-CG1 3.35Å; Q804-I808 PolarHBondContact O-N 3.27Å; I805-I808 WeakPolarHBondContact O-CB 3.48Å; I805-I808 PolarHBondContact O-N 3.44Å; F806-I808 VanDerWaalsContact C-N 3.3Å; F806-I808 PolarHBondContact O-N 3.49Å; I808-F810 VanDerWaalsContact C-N 3.33Å; I808-F810 PolarHBondContact O-N 3.44Å; I808-R811 PolarHBondContact O-N 3.23Å; I808-R812 PolarHBondContact O-N 3.45Å |
| 809 | I | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 177.1 | -66.3 | 169.3 | 0 | 0 | 0 | 110.5 | F768 F782 L785 I805 F806 R812 L813 F821 F825 F828 | F768-I809 HydrophobicContact CZ-CG1 4.07Å; F782-I809 HydrophobicContact CE1-CD1 4.09Å; L785-I809 HydrophobicContact CD1-CD1 4.11Å; I805-I809 HydrophobicContact CG2-CD1 3.92Å; I805-I809 WeakPolarHBondContact O-CG1 3.43Å; I805-I809 PolarHBondContact O-N 2.98Å; F806-I809 PolarHBondContact O-N 3.44Å; I809-R812 WeakPolarHBondContact O-CB 3.39Å; I809-R812 PolarHBondContact O-N 3.47Å; I809-L813 WeakPolarHBondContact O-CB 3.28Å; I809-L813 PolarHBondContact O-N 3.22Å; I809-F821 HydrophobicContact CG2-CZ 3.95Å; I809-F825 HydrophobicContact CD1-CD2 4.46Å; I809-F825 HydrophobicContact CD1-CE2 4.26Å; I809-F825 HydrophobicContact CG2-CD1 3.92Å; I809-F825 HydrophobicContact CG2-CD2 3.91Å; I809-F825 HydrophobicContact CG2-CE1 3.8Å; I809-F825 HydrophobicContact CG2-CE2 3.78Å; I809-F825 HydrophobicContact CG2-CG 4Å; I809-F825 HydrophobicContact CG2-CZ 3.74Å; I809-F828 HydrophobicContact CD1-CE1 4.46Å |
| 810 | F | 94.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 179.7 | -62.2 | -35.3 | 0 | 0 | 0 | 113 | F806 M807 I808 R812 L813 Q814 F825 V845 I848 L852 V856 | F806-F810 HydrophobicContact CB-CD2 4.39Å; F806-F810 HydrophobicContact CB-CE2 3.88Å; F806-F810 HydrophobicContact CB-CZ 4.31Å; F806-F810 HydrophobicContact CD1-CE1 4.27Å; F806-F810 HydrophobicContact CD1-CE2 4.14Å; F806-F810 AromaticContact CD1-CZ 3.69Å; F806-F810 HydrophobicContact CD1-CZ 3.69Å; F806-F810 HydrophobicContact CG-CE2 4.45Å; F806-F810 HydrophobicContact CG-CZ 4.42Å; F806-F810 WeakPolarHBondContact O-CB 3.39Å; F806-F810 WeakPolarHBondContact O-CD2 3.42Å; F806-F810 WeakPolarHBondContact O-CG 3.46Å; F806-F810 PolarHBondContact O-N 3.4Å; M807-F810 PolarHBondContact O-N 2.98Å; I808-F810 VanDerWaalsContact C-N 3.33Å; I808-F810 PolarHBondContact O-N 3.44Å; F810-R812 VanDerWaalsContact C-N 3.31Å; F810-R812 PolarHBondContact O-N 3.06Å; F810-L813 WeakPolarHBondContact O-CB 3.41Å; F810-L813 PolarHBondContact O-N 3.29Å; F810-Q814 WeakPolarHBondContact O-CG 3.43Å; F810-Q814 PolarHBondContact O-N 3.22Å; F810-F825 HydrophobicContact CE1-CE1 4.15Å; F810-F825 AromaticContact CE1-CZ 3.9Å; F810-F825 HydrophobicContact CE1-CZ 3.9Å; F810-V845 HydrophobicContact CE2-CG1 4.21Å; F810-V845 HydrophobicContact CZ-CG1 3.85Å; F810-I848 HydrophobicContact CE2-CD1 4.01Å; F810-L852 HydrophobicContact CD2-CD2 3.9Å; F810-L852 HydrophobicContact CE2-CD2 3.48Å; F810-L852 VanDerWaalsContact CE2-CD2 3.48Å; F810-L852 HydrophobicContact CE2-CG 4.32Å; F810-L852 HydrophobicContact CZ-CD2 4.08Å; F810-L852 HydrophobicContact CZ-CG 4.46Å; F810-V856 HydrophobicContact CE1-CG2 3.64Å; F810-V856 HydrophobicContact CZ-CG2 3.96Å |
| 811 | R | 92.8 | Very high | 90.4 | Very high | 168 Ų | 168 | 66.5 Ų | 66.5 | 63% | 0.634 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 171.1 | -175.2 | 178.8 | 179.4 | 179.2 | -0 | 111.3 | M807 I808 Q814 T815 | M807-R811 WeakPolarHBondContact O-CB 3.34Å; M807-R811 PolarHBondContact O-N 2.97Å; I808-R811 PolarHBondContact O-N 3.23Å; R811-Q814 PolarHBondContact O-N 3.16Å; R811-T815 WeakPolarHBondContact O-CG2 3.36Å; R811-T815 PolarHBondContact O-N 3.41Å; R811-T815 VanDerWaalsContact O-N 3.16Å; R811-T815 PolarHBondContact O-OG1 3.31Å |
| 812 | R | 90.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 65 Ų | 65 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 173.6 | -179 | 54.8 | 172.1 | -166.6 | -10.7 | 111.4 | V772 N773 S775 I808 I809 F810 Q814 T815 C816 F821 | V772-R812 HydrophobicContact CG2-CG 4.43Å; V772-R812 WeakPolarHBondContact O-CD 3.43Å; V772-R812 PolarHBondContact O-NE 3.44Å; N773-R812 PolarHBondContact O-NH1 2.84Å; N773-R812 PolarHBondContact O-NH2 3.25Å; N773-R812 VanDerWaalsContact O-NH2 3.16Å; S775-R812 VanDerWaalsContact CA-NH2 3.29Å; S775-R812 VanDerWaalsContact N-NH2 3.16Å; I808-R812 PolarHBondContact O-N 3.45Å; I809-R812 WeakPolarHBondContact O-CB 3.39Å; I809-R812 PolarHBondContact O-N 3.47Å; F810-R812 VanDerWaalsContact C-N 3.31Å; F810-R812 PolarHBondContact O-N 3.06Å; R812-Q814 PolarHBondContact O-N 3.46Å; R812-T815 WeakPolarHBondContact CA-OG1 3.49Å; R812-T815 PolarHBondContact O-N 3.25Å; R812-T815 VanDerWaalsContact O-N 3.07Å; R812-T815 PolarHBondContact O-OG1 2.95Å; R812-T815 VanDerWaalsContact O-OG1 3.08Å; R812-C816 PolarHBondContact O-N 3.45Å; R812-F821 HydrophobicContact CB-CE2 4.07Å; R812-F821 HydrophobicContact CB-CZ 3.88Å; R812-F821 HydrophobicContact CG-CD2 3.99Å; R812-F821 HydrophobicContact CG-CE1 4.26Å; R812-F821 HydrophobicContact CG-CE2 3.46Å; R812-F821 VanDerWaalsContact CG-CE2 3.46Å; R812-F821 HydrophobicContact CG-CZ 3.61Å |
| 813 | L | 90.6 | Very high | 90.3 | Very high | 28 Ų | 28 | 67.2 Ų | 67.2 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -32.5 | 176.5 | -171.4 | 70 | 0 | 0 | 0 | 112.5 | I809 F810 K817 F821 M822 V860 | I809-L813 WeakPolarHBondContact O-CB 3.28Å; I809-L813 PolarHBondContact O-N 3.22Å; F810-L813 WeakPolarHBondContact O-CB 3.41Å; F810-L813 PolarHBondContact O-N 3.29Å; L813-K817 HydrophobicContact CD1-CD 4.45Å; L813-K817 HydrophobicContact CD1-CG 4.16Å; L813-K817 WeakPolarHBondContact O-CE 3.4Å; L813-K817 WeakPolarHBondContact O-CG 3.48Å; L813-F821 HydrophobicContact CB-CE1 4.24Å; L813-F821 HydrophobicContact CD1-CE1 3.99Å; L813-M822 HydrophobicContact CD1-CE 3.99Å; L813-M822 HydrophobicContact CD1-SD 3.25Å; L813-M822 WeakPolarHBondContact CD1-SD 3.39Å; L813-V860 HydrophobicContact CD2-CG2 4.25Å |
| 814 | Q | 89.2 | Confident | 90.2 | Very high | 161 Ų | 161 | 61.4 Ų | 61.4 | 75% | 0.752 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -77 | -31 | 176.2 | -72.5 | 173 | -7.2 | 0 | 0 | 113.4 | F810 R811 R812 | F810-Q814 WeakPolarHBondContact O-CG 3.43Å; F810-Q814 PolarHBondContact O-N 3.22Å; R811-Q814 PolarHBondContact O-N 3.16Å; R812-Q814 PolarHBondContact O-N 3.46Å |
| 815 | T | 86.3 | Confident | 90.2 | Very high | 97 Ų | 97 | 55.7 Ų | 55.7 | 60% | 0.595 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -93.1 | -38.8 | -172.7 | 48 | 0 | 0 | 0 | 0 | 113.5 | R811 R812 | R811-T815 WeakPolarHBondContact O-CG2 3.36Å; R811-T815 PolarHBondContact O-N 3.41Å; R811-T815 VanDerWaalsContact O-N 3.16Å; R811-T815 PolarHBondContact O-OG1 3.31Å; R812-T815 WeakPolarHBondContact CA-OG1 3.49Å; R812-T815 PolarHBondContact O-N 3.25Å; R812-T815 VanDerWaalsContact O-N 3.07Å; R812-T815 PolarHBondContact O-OG1 2.95Å; R812-T815 VanDerWaalsContact O-OG1 3.08Å |
| 816 | C | 81.3 | Confident | 90.2 | Very high | 41 Ų | 41 | 55.5 Ų | 55.5 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | trans | -153.7 | 110.2 | -177.7 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | R812 | R812-C816 PolarHBondContact O-N 3.45Š| ||
| 817 | K | 80.7 | Confident | 90 | Very high | 148 Ų | 148 | 55.7 Ų | 55.7 | 64% | 0.643 | 26% | 0.26 | S | S | * | . | trans | -101.5 | 91.4 | 178.4 | -61.4 | 179.5 | -176.8 | 175.8 | 0 | 109.8 | L813 | L813-K817 HydrophobicContact CD1-CD 4.45Å; L813-K817 HydrophobicContact CD1-CG 4.16Å; L813-K817 WeakPolarHBondContact O-CE 3.4Å; L813-K817 WeakPolarHBondContact O-CG 3.48Å | ||
| 818 | K | 85.5 | Confident | 90 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 41% | 0.409 | 24% | 0.239 | S | C | . | . | trans | -92.6 | 145.9 | 167.8 | -68.9 | -162.3 | 178 | -179.1 | 0 | 110.4 | S775 K820 F821 M822 | S775-K818 VanDerWaalsContact CB-NZ 3.3Å; S775-K818 PolarHBondContact OG-NZ 3.21Å; K818-K820 VanDerWaalsContact C-N 3.26Å; K818-K820 PolarHBondContact O-N 2.79Å; K818-F821 WeakPolarHBondContact O-CB 3.34Å; K818-F821 PolarHBondContact O-N 3.12Å; K818-F821 VanDerWaalsContact O-N 3.13Å; K818-M822 WeakPolarHBondContact O-CG 3.15Å; K818-M822 PolarHBondContact O-N 3.23Å; K818-M822 VanDerWaalsContact O-N 3.1Å | ||
| 819 | E | 86.8 | Confident | 90.1 | Very high | 108 Ų | 108 | 49.8 Ų | 49.8 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.8 | -42 | 179.5 | -159.8 | -166.6 | 149 | 0 | 0 | 112.2 | F821 M822 K823 Y864 | E819-F821 PolarHBondContact O-N 2.88Å; E819-M822 PolarHBondContact O-N 3.26Å; E819-K823 WeakPolarHBondContact O-CG 2.98Å; E819-K823 PolarHBondContact O-N 3.15Å; E819-K823 WeakPolarHBondContact OE1-CE 3.3Å; E819-K823 IonicContact OE1-NZ 2.79Å; E819-K823 PolarHBondContact OE1-NZ 2.86Å; E819-Y864 HydrophobicContact CG-CE1 3.73Å |
| 820 | K | 85.5 | Confident | 90 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.4 | -47.4 | 176 | -175.6 | -177.7 | 176.9 | -175.4 | 0 | 112.3 | I776 V779 K818 K823 A824 | I776-K820 PolarHBondContact O-NZ 3.11Å; I776-K820 VanDerWaalsContact O-NZ 3.07Å; V779-K820 HydrophobicContact CG2-CD 3.9Å; V779-K820 HydrophobicContact CG2-CG 3.48Å; V779-K820 VanDerWaalsContact CG2-CG 3.48Å; K818-K820 VanDerWaalsContact C-N 3.26Å; K818-K820 PolarHBondContact O-N 2.79Å; K820-K823 PolarHBondContact O-N 3.42Å; K820-A824 WeakPolarHBondContact O-CB 3.34Å; K820-A824 PolarHBondContact O-N 3.25Å |
| 821 | F | 90.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.5 | 173.3 | -96.4 | 0 | 0 | 0 | 111.9 | V772 D778 F782 I809 R812 L813 K818 E819 A824 F825 | V772-F821 HydrophobicContact CG2-CD2 4.47Å; V772-F821 HydrophobicContact CG2-CE2 3.73Å; D778-F821 HydrophobicContact CB-CD2 4.12Å; D778-F821 WeakPolarHBondContact OD2-CB 3.47Å; F782-F821 AromaticContact CE2-CD2 3.72Å; F782-F821 HydrophobicContact CE2-CD2 3.72Å; F782-F821 AromaticContact CE2-CE2 3.72Å; F782-F821 HydrophobicContact CE2-CE2 3.72Å; F782-F821 HydrophobicContact CZ-CD2 4.18Å; F782-F821 AromaticContact CZ-CE2 3.75Å; F782-F821 HydrophobicContact CZ-CE2 3.75Å; F782-F821 HydrophobicContact CZ-CZ 4.28Å; I809-F821 HydrophobicContact CG2-CZ 3.95Å; R812-F821 HydrophobicContact CB-CE2 4.07Å; R812-F821 HydrophobicContact CB-CZ 3.88Å; R812-F821 HydrophobicContact CG-CD2 3.99Å; R812-F821 HydrophobicContact CG-CE1 4.26Å; R812-F821 HydrophobicContact CG-CE2 3.46Å; R812-F821 VanDerWaalsContact CG-CE2 3.46Å; R812-F821 HydrophobicContact CG-CZ 3.61Å; L813-F821 HydrophobicContact CB-CE1 4.24Å; L813-F821 HydrophobicContact CD1-CE1 3.99Å; K818-F821 WeakPolarHBondContact O-CB 3.34Å; K818-F821 PolarHBondContact O-N 3.12Å; K818-F821 VanDerWaalsContact O-N 3.13Å; E819-F821 PolarHBondContact O-N 2.88Å; F821-A824 PolarHBondContact O-N 2.93Å; F821-F825 WeakPolarHBondContact O-CB 3.5Å; F821-F825 PolarHBondContact O-N 3.46Å |
| 822 | M | 91.7 | Very high | 89.9 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | -178.7 | -63.4 | -64.1 | -68.8 | 0 | 0 | 112 | L813 K818 E819 F825 A826 K859 V860 Y864 | L813-M822 HydrophobicContact CD1-CE 3.99Å; L813-M822 HydrophobicContact CD1-SD 3.25Å; L813-M822 WeakPolarHBondContact CD1-SD 3.39Å; K818-M822 WeakPolarHBondContact O-CG 3.15Å; K818-M822 PolarHBondContact O-N 3.23Å; K818-M822 VanDerWaalsContact O-N 3.1Å; E819-M822 PolarHBondContact O-N 3.26Å; M822-F825 PolarHBondContact O-N 3.5Å; M822-A826 WeakPolarHBondContact O-CB 3.31Å; M822-A826 PolarHBondContact O-N 3.25Å; M822-K859 VanDerWaalsContact CE-O 3.28Å; M822-K859 WeakPolarHBondContact CE-O 3.43Å; M822-V860 HydrophobicContact CE-CB 4.06Å; M822-V860 HydrophobicContact CE-CG1 4.06Å; M822-V860 HydrophobicContact CE-CG2 3.73Å; M822-Y864 HydrophobicContact CB-CD1 4.28Å; M822-Y864 HydrophobicContact CB-CD2 3.99Å; M822-Y864 HydrophobicContact CB-CE1 3.83Å; M822-Y864 HydrophobicContact CB-CE2 3.53Å; M822-Y864 HydrophobicContact CB-CG 4.34Å; M822-Y864 VanDerWaalsContact CB-CZ 3.42Å; M822-Y864 HydrophobicContact CE-CD2 4.39Å; M822-Y864 HydrophobicContact CE-CE2 3.76Å; M822-Y864 HydrophobicContact CG-CE2 4.02Å |
| 823 | K | 90.9 | Very high | 90.1 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 175.6 | -67.6 | 175.4 | -175.9 | 175.3 | 0 | 111.7 | E819 K820 F825 A826 S827 Y864 I867 I868 L873 | E819-K823 WeakPolarHBondContact O-CG 2.98Å; E819-K823 PolarHBondContact O-N 3.15Å; E819-K823 WeakPolarHBondContact OE1-CE 3.3Å; E819-K823 IonicContact OE1-NZ 2.79Å; E819-K823 PolarHBondContact OE1-NZ 2.86Å; K820-K823 PolarHBondContact O-N 3.42Å; K823-F825 VanDerWaalsContact C-N 3.3Å; K823-F825 PolarHBondContact O-N 2.95Å; K823-A826 PolarHBondContact O-N 3.36Å; K823-S827 WeakPolarHBondContact O-CB 3.17Å; K823-S827 PolarHBondContact O-N 3.49Å; K823-Y864 HydrophobicContact CG-CD1 3.61Å; K823-Y864 HydrophobicContact CG-CE1 4.15Å; K823-Y864 HydrophobicContact CG-CG 4.49Å; K823-I867 HydrophobicContact CD-CG2 3.97Å; K823-I867 VanDerWaalsContact CE-CG2 3.47Å; K823-I867 HydrophobicContact CG-CG2 4.46Å; K823-I868 HydrophobicContact CB-CG2 4.06Å; K823-I868 HydrophobicContact CG-CG2 4.46Å; K823-I868 WeakPolarHBondContact O-CG2 3.02Å; K823-L873 HydrophobicContact CB-CD2 3.43Å; K823-L873 VanDerWaalsContact CB-CD2 3.43Å |
| 824 | A | 90.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -39.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V779 F782 K820 F821 F828 | V779-A824 HydrophobicContact CG2-CB 3.95Å; F782-A824 HydrophobicContact CB-CB 4.19Å; F782-A824 HydrophobicContact CD2-CB 3.32Å; F782-A824 HydrophobicContact CE2-CB 3.82Å; F782-A824 HydrophobicContact CG-CB 3.86Å; K820-A824 WeakPolarHBondContact O-CB 3.34Å; K820-A824 PolarHBondContact O-N 3.25Å; F821-A824 PolarHBondContact O-N 2.93Å; A824-F828 WeakPolarHBondContact O-CB 3.48Å; A824-F828 PolarHBondContact O-N 2.93Å |
| 825 | F | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.3 | -43.3 | 176.1 | -174.5 | -151.8 | 0 | 0 | 0 | 112.6 | F782 F806 I809 F810 F821 M822 K823 S827 F828 I829 V856 V860 | F782-F825 HydrophobicContact CE1-CB 3.95Å; F782-F825 AromaticContact CE1-CD2 3.89Å; F782-F825 HydrophobicContact CE1-CD2 3.89Å; F782-F825 HydrophobicContact CE1-CG 4.27Å; F782-F825 HydrophobicContact CE2-CB 4.43Å; F782-F825 HydrophobicContact CZ-CB 3.65Å; F782-F825 HydrophobicContact CZ-CD2 4.27Å; F782-F825 HydrophobicContact CZ-CG 4.2Å; F806-F825 HydrophobicContact CD1-CE2 4.41Å; F806-F825 HydrophobicContact CD1-CZ 4.37Å; F806-F825 AromaticContact CE1-CE2 3.88Å; F806-F825 HydrophobicContact CE1-CE2 3.88Å; F806-F825 HydrophobicContact CE1-CZ 4.09Å; I809-F825 HydrophobicContact CD1-CD2 4.46Å; I809-F825 HydrophobicContact CD1-CE2 4.26Å; I809-F825 HydrophobicContact CG2-CD1 3.92Å; I809-F825 HydrophobicContact CG2-CD2 3.91Å; I809-F825 HydrophobicContact CG2-CE1 3.8Å; I809-F825 HydrophobicContact CG2-CE2 3.78Å; I809-F825 HydrophobicContact CG2-CG 4Å; I809-F825 HydrophobicContact CG2-CZ 3.74Å; F810-F825 HydrophobicContact CE1-CE1 4.15Å; F810-F825 AromaticContact CE1-CZ 3.9Å; F810-F825 HydrophobicContact CE1-CZ 3.9Å; F821-F825 WeakPolarHBondContact O-CB 3.5Å; F821-F825 PolarHBondContact O-N 3.46Å; M822-F825 PolarHBondContact O-N 3.5Å; K823-F825 VanDerWaalsContact C-N 3.3Å; K823-F825 PolarHBondContact O-N 2.95Å; F825-S827 VanDerWaalsContact C-N 3.3Å; F825-S827 PolarHBondContact O-N 3.31Å; F825-F828 HydrophobicContact CD2-CD1 4.32Å; F825-F828 HydrophobicContact CE2-CD1 4.46Å; F825-F828 WeakPolarHBondContact O-CB 3.39Å; F825-F828 PolarHBondContact O-N 3.15Å; F825-I829 HydrophobicContact CD2-CD1 4.28Å; F825-I829 HydrophobicContact CD2-CG1 4.28Å; F825-I829 HydrophobicContact CE1-CD1 4.43Å; F825-I829 HydrophobicContact CE2-CD1 3.97Å; F825-I829 HydrophobicContact CE2-CG1 3.98Å; F825-I829 HydrophobicContact CZ-CD1 4.04Å; F825-I829 HydrophobicContact CZ-CG1 4.49Å; F825-I829 WeakPolarHBondContact O-CG1 3.22Å; F825-I829 PolarHBondContact O-N 3.44Å; F825-V856 HydrophobicContact CE1-CG1 4.07Å; F825-V856 HydrophobicContact CZ-CG1 4.11Å; F825-V860 HydrophobicContact CB-CG1 4.32Å; F825-V860 HydrophobicContact CD1-CB 4.39Å; F825-V860 HydrophobicContact CD1-CG1 3.54Å; F825-V860 HydrophobicContact CD1-CG2 4.14Å; F825-V860 HydrophobicContact CE1-CG1 4.11Å; F825-V860 HydrophobicContact CE1-CG2 4.1Å; F825-V860 HydrophobicContact CG-CG1 4.16Å |
| 826 | A | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M822 K823 I829 A830 V860 L861 I868 | M822-A826 WeakPolarHBondContact O-CB 3.31Å; M822-A826 PolarHBondContact O-N 3.25Å; K823-A826 PolarHBondContact O-N 3.36Å; A826-I829 WeakPolarHBondContact O-CB 3.46Å; A826-I829 PolarHBondContact O-N 2.91Å; A826-A830 PolarHBondContact O-N 2.82Å; A826-A830 VanDerWaalsContact O-N 3.13Å; A826-V860 HydrophobicContact CB-CG1 4.33Å; A826-L861 HydrophobicContact CB-CD1 4.12Å; A826-I868 HydrophobicContact CB-CD1 3.94Å; A826-I868 HydrophobicContact CB-CG2 4.14Å |
| 827 | S | 92.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 173.7 | 168.1 | 0 | 0 | 0 | 0 | 113.2 | K823 F825 I829 A830 H831 L873 N900 | K823-S827 WeakPolarHBondContact O-CB 3.17Å; K823-S827 PolarHBondContact O-N 3.49Å; F825-S827 VanDerWaalsContact C-N 3.3Å; F825-S827 PolarHBondContact O-N 3.31Å; S827-I829 PolarHBondContact O-N 3.44Å; S827-A830 WeakPolarHBondContact O-CA 3.48Å; S827-A830 WeakPolarHBondContact O-CB 3.41Å; S827-A830 PolarHBondContact O-N 2.94Å; S827-H831 PolarHBondContact O-N 3.37Å; S827-H831 PolarHBondContact O-ND1 2.92Å; S827-H831 PolarHBondContact OG-CE1 3.21Å; S827-H831 PolarHBondContact OG-ND1 3.49Å; S827-L873 WeakPolarHBondContact OG-CD1 3.23Å; S827-N900 PolarHBondContact OG-OD1 3.49Å; S827-N900 VanDerWaalsContact OG-OD1 3.07Å |
| 828 | F | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.2 | -38.4 | 173.3 | 177.4 | -109.4 | 0 | 0 | 0 | 111.7 | F782 L785 N786 L789 F802 F806 I809 A824 F825 H831 M832 | F782-F828 HydrophobicContact CD1-CB 3.6Å; F782-F828 HydrophobicContact CD1-CD1 4.32Å; F782-F828 HydrophobicContact CD1-CD2 4.42Å; F782-F828 AromaticContact CD1-CG 3.87Å; F782-F828 HydrophobicContact CD1-CG 3.87Å; F782-F828 HydrophobicContact CE1-CB 4.09Å; F782-F828 HydrophobicContact CE1-CD1 4.34Å; F782-F828 HydrophobicContact CE1-CG 4.31Å; L785-F828 HydrophobicContact CB-CD2 4.04Å; L785-F828 HydrophobicContact CB-CE2 3.55Å; L785-F828 HydrophobicContact CB-CZ 4.05Å; L785-F828 HydrophobicContact CD1-CE1 4.22Å; L785-F828 HydrophobicContact CD1-CE2 4.19Å; L785-F828 HydrophobicContact CD1-CZ 3.99Å; L785-F828 HydrophobicContact CG-CE2 4.49Å; N786-F828 VanDerWaalsContact OD1-CD2 3.29Å; N786-F828 WeakPolarHBondContact OD1-CD2 3.38Å; L789-F828 HydrophobicContact CD2-CE2 4.26Å; F802-F828 HydrophobicContact CE1-CZ 4.09Å; F806-F828 HydrophobicContact CZ-CE1 4.29Å; I809-F828 HydrophobicContact CD1-CE1 4.46Å; A824-F828 WeakPolarHBondContact O-CB 3.48Å; A824-F828 PolarHBondContact O-N 2.93Å; F825-F828 HydrophobicContact CD2-CD1 4.32Å; F825-F828 HydrophobicContact CE2-CD1 4.46Å; F825-F828 WeakPolarHBondContact O-CB 3.39Å; F825-F828 PolarHBondContact O-N 3.15Å; F828-H831 PolarHBondContact O-N 3.48Å; F828-M832 HydrophobicContact CD1-CG 4.27Å; F828-M832 HydrophobicContact CD1-SD 4.19Å; F828-M832 HydrophobicContact CD2-CG 4.44Å; F828-M832 HydrophobicContact CE1-CG 3.83Å; F828-M832 HydrophobicContact CE1-SD 3.36Å; F828-M832 WeakPolarHBondContact CE1-SD 3.43Å; F828-M832 HydrophobicContact CE2-CG 3.98Å; F828-M832 HydrophobicContact CE2-SD 4.38Å; F828-M832 HydrophobicContact CZ-CG 3.68Å; F828-M832 HydrophobicContact CZ-SD 3.48Å; F828-M832 WeakPolarHBondContact CZ-SD 3.48Å; F828-M832 WeakPolarHBondContact O-CB 3.46Å; F828-M832 WeakPolarHBondContact O-CG 3.4Å; F828-M832 PolarHBondContact O-N 3.07Å |
| 829 | I | 95.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 171.6 | -71.3 | 166.1 | 0 | 0 | 0 | 110.7 | F825 A826 S827 H831 M832 V833 L841 V856 L861 | F825-I829 HydrophobicContact CD2-CD1 4.28Å; F825-I829 HydrophobicContact CD2-CG1 4.28Å; F825-I829 HydrophobicContact CE1-CD1 4.43Å; F825-I829 HydrophobicContact CE2-CD1 3.97Å; F825-I829 HydrophobicContact CE2-CG1 3.98Å; F825-I829 HydrophobicContact CZ-CD1 4.04Å; F825-I829 HydrophobicContact CZ-CG1 4.49Å; F825-I829 WeakPolarHBondContact O-CG1 3.22Å; F825-I829 PolarHBondContact O-N 3.44Å; A826-I829 WeakPolarHBondContact O-CB 3.46Å; A826-I829 PolarHBondContact O-N 2.91Å; S827-I829 PolarHBondContact O-N 3.44Å; I829-H831 VanDerWaalsContact C-N 3.31Å; I829-H831 PolarHBondContact O-N 2.94Å; I829-M832 PolarHBondContact O-N 3.25Å; I829-V833 WeakPolarHBondContact O-CG2 3.24Å; I829-V833 PolarHBondContact O-N 3.45Å; I829-L841 HydrophobicContact CG2-CD2 3.84Å; I829-V856 HydrophobicContact CD1-CG1 3.6Å; I829-L861 HydrophobicContact CB-CD1 4.11Å; I829-L861 HydrophobicContact CD1-CD1 4.41Å; I829-L861 HydrophobicContact CG2-CD1 3.77Å; I829-L861 HydrophobicContact CG2-CD2 4.03Å |
| 830 | A | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.8 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A826 S827 V833 L834 G903 L904 | A826-A830 PolarHBondContact O-N 2.82Å; A826-A830 VanDerWaalsContact O-N 3.13Å; S827-A830 WeakPolarHBondContact O-CA 3.48Å; S827-A830 WeakPolarHBondContact O-CB 3.41Å; S827-A830 PolarHBondContact O-N 2.94Å; A830-V833 PolarHBondContact O-N 3.44Å; A830-L834 WeakPolarHBondContact O-CG 3.4Å; A830-L834 PolarHBondContact O-N 2.86Å; A830-G903 WeakPolarHBondContact O-CA 3.45Å; A830-L904 HydrophobicContact CB-CD2 4.18Å; A830-L904 HydrophobicContact CB-CG 4.13Å |
| 831 | H | 91.5 | Very high | 92.6 | Very high | 14 Ų | 14 | 12.1 Ų | 12.1 | 7% | 0.065 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.1 | -39.3 | 176.4 | -73.2 | 76.5 | 0 | 0 | 0 | 112.8 | N786 L789 S827 F828 I829 V833 L834 I835 N900 | N786-H831 WeakPolarHBondContact OD1-CB 3.46Å; L789-H831 HydrophobicContact CD2-CB 4.34Å; S827-H831 PolarHBondContact O-N 3.37Å; S827-H831 PolarHBondContact O-ND1 2.92Å; S827-H831 PolarHBondContact OG-CE1 3.21Å; S827-H831 PolarHBondContact OG-ND1 3.49Å; F828-H831 PolarHBondContact O-N 3.48Å; I829-H831 VanDerWaalsContact C-N 3.31Å; I829-H831 PolarHBondContact O-N 2.94Å; H831-V833 PolarHBondContact O-N 2.93Å; H831-L834 WeakPolarHBondContact O-CB 3.48Å; H831-L834 PolarHBondContact O-N 2.88Å; H831-L834 VanDerWaalsContact O-N 3.13Å; H831-I835 PolarHBondContact O-N 3.17Å; H831-N900 PolarHBondContact CE1-OD1 2.91Å; H831-N900 PolarHBondContact ND1-OD1 3.22Å |
| 832 | M | 93.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.5 | -41 | 172.4 | -78.3 | -156.3 | 76.7 | 0 | 0 | 111.1 | L789 F802 F806 F828 I829 L834 I835 Y836 L841 L844 | L789-M832 HydrophobicContact CD1-CE 3.95Å; L789-M832 HydrophobicContact CD1-CG 3.97Å; L789-M832 HydrophobicContact CD2-CB 4.31Å; L789-M832 HydrophobicContact CD2-CG 3.71Å; L789-M832 HydrophobicContact CG-CG 4.47Å; F802-M832 HydrophobicContact CD1-CE 3.56Å; F802-M832 HydrophobicContact CD1-SD 4.2Å; F802-M832 HydrophobicContact CE1-CE 3.33Å; F802-M832 HydrophobicContact CE1-SD 3.88Å; F802-M832 HydrophobicContact CZ-CE 4.16Å; F806-M832 HydrophobicContact CE2-CE 4.25Å; F806-M832 HydrophobicContact CE2-SD 3.75Å; F806-M832 HydrophobicContact CZ-SD 3.6Å; F828-M832 HydrophobicContact CD1-CG 4.27Å; F828-M832 HydrophobicContact CD1-SD 4.19Å; F828-M832 HydrophobicContact CD2-CG 4.44Å; F828-M832 HydrophobicContact CE1-CG 3.83Å; F828-M832 HydrophobicContact CE1-SD 3.36Å; F828-M832 WeakPolarHBondContact CE1-SD 3.43Å; F828-M832 HydrophobicContact CE2-CG 3.98Å; F828-M832 HydrophobicContact CE2-SD 4.38Å; F828-M832 HydrophobicContact CZ-CG 3.68Å; F828-M832 HydrophobicContact CZ-SD 3.48Å; F828-M832 WeakPolarHBondContact CZ-SD 3.48Å; F828-M832 WeakPolarHBondContact O-CB 3.46Å; F828-M832 WeakPolarHBondContact O-CG 3.4Å; F828-M832 PolarHBondContact O-N 3.07Å; I829-M832 PolarHBondContact O-N 3.25Å; M832-L834 VanDerWaalsContact C-N 3.28Å; M832-L834 PolarHBondContact O-N 3.33Å; M832-I835 PolarHBondContact O-N 3.29Å; M832-Y836 HydrophobicContact CE-CD2 3.49Å; M832-Y836 VanDerWaalsContact CE-CD2 3.49Å; M832-Y836 HydrophobicContact CE-CE2 3.9Å; M832-Y836 CarbonylContact O-C 3.49Å; M832-Y836 WeakPolarHBondContact O-CA 3.48Å; M832-Y836 PolarHBondContact O-N 3.41Å; M832-L841 HydrophobicContact CB-CD2 4.41Å; M832-L841 HydrophobicContact CE-CD1 4.35Å; M832-L841 HydrophobicContact SD-CD1 4.02Å; M832-L844 HydrophobicContact CE-CD2 4.37Å |
| 833 | V | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.8 | -30.6 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | I829 A830 H831 I835 Y836 P838 L841 G903 R906 F907 | I829-V833 WeakPolarHBondContact O-CG2 3.24Å; I829-V833 PolarHBondContact O-N 3.45Å; A830-V833 PolarHBondContact O-N 3.44Å; H831-V833 PolarHBondContact O-N 2.93Å; V833-I835 VanDerWaalsContact C-N 3.29Å; V833-I835 PolarHBondContact O-N 3.32Å; V833-Y836 CarbonylContact C-O 3.13Å; V833-Y836 VanDerWaalsContact C-O 3.27Å; V833-Y836 WeakPolarHBondContact CA-O 3.29Å; V833-P838 HydrophobicContact CG1-CB 4.22Å; V833-L841 HydrophobicContact CG2-CD2 3.92Å; V833-G903 VanDerWaalsContact CG1-O 3.29Å; V833-G903 WeakPolarHBondContact CG1-O 3.38Å; V833-R906 HydrophobicContact CG1-CB 4Å; V833-R906 PolarHBondContact O-NH1 2.98Å; V833-F907 HydrophobicContact CB-CD2 4.43Å; V833-F907 HydrophobicContact CG1-CB 4.26Å; V833-F907 HydrophobicContact CG1-CD2 4.18Å; V833-F907 HydrophobicContact CG2-CD2 3.4Å; V833-F907 HydrophobicContact CG2-CE2 4Å; V833-F907 HydrophobicContact CG2-CG 4.42Å |
| 834 | L | 91.3 | Very high | 93 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65 | -34.3 | 175 | -67.3 | 178.9 | 0 | 0 | 0 | 112.3 | A830 H831 M832 M899 I902 R906 L995 Y996 | A830-L834 WeakPolarHBondContact O-CG 3.4Å; A830-L834 PolarHBondContact O-N 2.86Å; H831-L834 WeakPolarHBondContact O-CB 3.48Å; H831-L834 PolarHBondContact O-N 2.88Å; H831-L834 VanDerWaalsContact O-N 3.13Å; M832-L834 VanDerWaalsContact C-N 3.28Å; M832-L834 PolarHBondContact O-N 3.33Å; L834-M899 HydrophobicContact CD1-CB 4.13Å; L834-M899 HydrophobicContact CD1-CE 4.23Å; L834-I902 HydrophobicContact CD2-CB 4.08Å; L834-I902 HydrophobicContact CD2-CG2 3.6Å; L834-R906 PolarHBondContact O-NH1 3.17Å; L834-L995 HydrophobicContact CB-CD1 3.8Å; L834-L995 HydrophobicContact CD1-CD1 4.02Å; L834-Y996 HydrophobicContact CB-CD2 4.45Å; L834-Y996 HydrophobicContact CB-CE2 4.07Å; L834-Y996 HydrophobicContact CD2-CD2 3.78Å; L834-Y996 HydrophobicContact CD2-CE2 3.84Å; L834-Y996 PolarHBondContact O-OH 3.02Å |
| 835 | I | 90.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 15.5 Ų | 15.5 | 15% | 0.149 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -101.7 | -49.2 | -173.5 | -63.7 | 169.8 | 0 | 0 | 0 | 112.1 | L789 L790 H831 M832 V833 L995 | L789-I835 HydrophobicContact CB-CD1 4.45Å; L789-I835 HydrophobicContact CD1-CB 4.49Å; L789-I835 HydrophobicContact CD1-CG2 4.47Å; L789-I835 HydrophobicContact CD2-CD1 3.74Å; L789-I835 HydrophobicContact CG-CB 4.33Å; L789-I835 HydrophobicContact CG-CD1 3.58Å; L789-I835 HydrophobicContact CG-CG2 4.49Å; L790-I835 HydrophobicContact CB-CD1 4.12Å; L790-I835 HydrophobicContact CD1-CD1 3.91Å; H831-I835 PolarHBondContact O-N 3.17Å; M832-I835 PolarHBondContact O-N 3.29Å; V833-I835 VanDerWaalsContact C-N 3.29Å; V833-I835 PolarHBondContact O-N 3.32Å; I835-L995 HydrophobicContact CD1-CD1 3.74Å; I835-L995 HydrophobicContact CD1-CD2 4.17Å; I835-L995 HydrophobicContact CG1-CD1 3.62Å; I835-L995 HydrophobicContact CG1-CD2 3.78Å; I835-L995 HydrophobicContact CG1-CG 4.36Å |
| 836 | Y | 89 | Confident | 93.2 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 2% | 0.02 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -104.4 | 139.1 | 173.8 | -55.6 | -31.4 | 0 | 0 | 0 | 108.7 | L789 K794 F802 M832 V833 | L789-Y836 HydrophobicContact CD1-CD2 3.6Å; L789-Y836 HydrophobicContact CD1-CE2 3.19Å; L789-Y836 HydrophobicContact CD1-CG 4.43Å; K794-Y836 HydrophobicContact CB-CE1 3.85Å; K794-Y836 HydrophobicContact CD-CD1 3.79Å; K794-Y836 HydrophobicContact CD-CE1 3.72Å; K794-Y836 HydrophobicContact CG-CD1 4.08Å; K794-Y836 HydrophobicContact CG-CE1 3.56Å; F802-Y836 HydrophobicContact CE1-CE2 4.39Å; F802-Y836 AromaticContact CE2-CE2 3.94Å; F802-Y836 HydrophobicContact CE2-CE2 3.94Å; F802-Y836 AromaticContact CZ-CE2 3.88Å; F802-Y836 HydrophobicContact CZ-CE2 3.88Å; M832-Y836 HydrophobicContact CE-CD2 3.49Å; M832-Y836 VanDerWaalsContact CE-CD2 3.49Å; M832-Y836 HydrophobicContact CE-CE2 3.9Å; M832-Y836 CarbonylContact O-C 3.49Å; M832-Y836 WeakPolarHBondContact O-CA 3.48Å; M832-Y836 PolarHBondContact O-N 3.41Å; V833-Y836 CarbonylContact C-O 3.13Å; V833-Y836 VanDerWaalsContact C-O 3.27Å; V833-Y836 WeakPolarHBondContact CA-O 3.29Å |
| 837 | S | 91.2 | Very high | 93.1 | Very high | 35 Ų | 35 | 19.5 Ų | 19.5 | 25% | 0.245 | 12% | 0.119 | C | C | . | . | trans | -60 | 156.1 | -177.3 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | D839 E840 L841 | S837-D839 PolarHBondContact O-N 3.32Å; S837-E840 PolarHBondContact N-OE2 3.3Å; S837-E840 WeakPolarHBondContact O-CB 3.31Å; S837-E840 PolarHBondContact O-N 2.92Å; S837-E840 VanDerWaalsContact O-N 3.15Å; S837-E840 WeakPolarHBondContact OG-CB 3.46Å; S837-E840 WeakPolarHBondContact OG-CG 3.46Å; S837-E840 PolarHBondContact OG-N 2.87Å; S837-E840 PolarHBondContact OG-OE2 2.91Å; S837-L841 PolarHBondContact O-N 2.97Å; S837-L841 VanDerWaalsContact O-N 3.15Å | ||
| 838 | P | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -35.4 | 178.3 | 24.5 | -34.3 | 0 | 0 | 0 | 112.8 | V833 E840 L841 I842 F907 E910 A911 | V833-P838 HydrophobicContact CG1-CB 4.22Å; P838-E840 VanDerWaalsContact C-N 3.34Å; P838-E840 PolarHBondContact O-N 3.37Å; P838-L841 WeakPolarHBondContact O-CB 3.41Å; P838-L841 PolarHBondContact O-N 3.43Å; P838-I842 WeakPolarHBondContact O-CG1 3.33Å; P838-I842 PolarHBondContact O-N 2.88Å; P838-F907 HydrophobicContact CB-CD2 3.47Å; P838-F907 VanDerWaalsContact CB-CD2 3.47Å; P838-F907 HydrophobicContact CB-CE2 3.61Å; P838-F907 HydrophobicContact CB-CG 4.32Å; P838-E910 HydrophobicContact CG-CB 3.75Å; P838-A911 HydrophobicContact CB-CB 3.8Å; P838-A911 HydrophobicContact CG-CB 3.99Å |
| 839 | D | 94 | Very high | 93 | Very high | 40 Ų | 40 | 26 Ų | 26 | 21% | 0.214 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.3 | -34.3 | 177.8 | -64.6 | -45.3 | 0 | 0 | 0 | 112.4 | S837 I842 T843 Q912 | S837-D839 PolarHBondContact O-N 3.32Å; D839-I842 PolarHBondContact O-N 3.15Å; D839-T843 VanDerWaalsContact O-CB 3.3Å; D839-T843 WeakPolarHBondContact O-CB 3.28Å; D839-T843 PolarHBondContact O-N 3.1Å; D839-T843 PolarHBondContact O-OG1 3.04Å; D839-Q912 PolarHBondContact OD1-N 2.65Å; D839-Q912 WeakPolarHBondContact OD2-CG 3.4Å |
| 840 | E | 93.5 | Very high | 92.9 | Very high | 56 Ų | 56 | 30.8 Ų | 30.8 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 173.3 | -76.4 | 171.7 | 138.7 | 0 | 0 | 112 | K794 M798 S837 P838 L844 | K794-E840 VanDerWaalsContact CE-OE1 3.24Å; K794-E840 WeakPolarHBondContact CE-OE1 3.36Å; K794-E840 IonicContact NZ-OE1 3.89Å; K794-E840 PolarHBondContact NZ-OE1 3.3Å; K794-E840 IonicContact NZ-OE2 2.95Å; K794-E840 PolarHBondContact NZ-OE2 3.01Å; M798-E840 HydrophobicContact CE-CB 3.88Å; M798-E840 HydrophobicContact CE-CG 4.35Å; S837-E840 PolarHBondContact N-OE2 3.3Å; S837-E840 WeakPolarHBondContact O-CB 3.31Å; S837-E840 PolarHBondContact O-N 2.92Å; S837-E840 VanDerWaalsContact O-N 3.15Å; S837-E840 WeakPolarHBondContact OG-CB 3.46Å; S837-E840 WeakPolarHBondContact OG-CG 3.46Å; S837-E840 PolarHBondContact OG-N 2.87Å; S837-E840 PolarHBondContact OG-OE2 2.91Å; P838-E840 VanDerWaalsContact C-N 3.34Å; P838-E840 PolarHBondContact O-N 3.37Å; E840-L844 VanDerWaalsContact O-CB 3.25Å; E840-L844 WeakPolarHBondContact O-CB 3.33Å; E840-L844 PolarHBondContact O-N 2.99Å |
| 841 | L | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 174.9 | 175.7 | 60.9 | 0 | 0 | 0 | 111.6 | F806 I829 M832 V833 S837 P838 L844 V845 F853 F907 | F806-L841 HydrophobicContact CE1-CD1 4.41Å; F806-L841 HydrophobicContact CE2-CD1 4.16Å; F806-L841 HydrophobicContact CZ-CD1 3.58Å; I829-L841 HydrophobicContact CG2-CD2 3.84Å; M832-L841 HydrophobicContact CB-CD2 4.41Å; M832-L841 HydrophobicContact CE-CD1 4.35Å; M832-L841 HydrophobicContact SD-CD1 4.02Å; V833-L841 HydrophobicContact CG2-CD2 3.92Å; S837-L841 PolarHBondContact O-N 2.97Å; S837-L841 VanDerWaalsContact O-N 3.15Å; P838-L841 WeakPolarHBondContact O-CB 3.41Å; P838-L841 PolarHBondContact O-N 3.43Å; L841-L844 PolarHBondContact O-N 3.3Å; L841-V845 HydrophobicContact CD1-CG2 4.19Å; L841-V845 PolarHBondContact O-N 2.8Å; L841-V845 VanDerWaalsContact O-N 3.09Å; L841-F853 HydrophobicContact CD1-CE2 4.38Å; L841-F853 HydrophobicContact CD2-CE2 3.79Å; L841-F853 HydrophobicContact CD2-CZ 4.05Å; L841-F853 HydrophobicContact CG-CD2 4.43Å; L841-F853 HydrophobicContact CG-CE2 3.71Å; L841-F853 HydrophobicContact CG-CZ 4.32Å; L841-F907 HydrophobicContact CD2-CE2 4.43Å |
| 842 | I | 94.6 | Very high | 92.8 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 177 | -67.1 | 168.9 | 0 | 0 | 0 | 109.7 | P838 D839 L844 V845 D846 F853 F907 A911 A913 Y921 | P838-I842 WeakPolarHBondContact O-CG1 3.33Å; P838-I842 PolarHBondContact O-N 2.88Å; D839-I842 PolarHBondContact O-N 3.15Å; I842-L844 VanDerWaalsContact C-N 3.34Å; I842-L844 PolarHBondContact O-N 2.76Å; I842-V845 PolarHBondContact O-N 2.9Å; I842-D846 WeakPolarHBondContact O-CB 3.31Å; I842-D846 PolarHBondContact O-N 2.56Å; I842-F853 HydrophobicContact CG1-CD1 3.74Å; I842-F853 HydrophobicContact CG1-CE1 4.01Å; I842-F853 HydrophobicContact CG1-CG 4.08Å; I842-F907 HydrophobicContact CD1-CZ 4.1Å; I842-F907 HydrophobicContact CG1-CZ 4.26Å; I842-A911 HydrophobicContact CD1-CB 4.3Å; I842-A913 HydrophobicContact CD1-CB 3.89Å; I842-Y921 HydrophobicContact CG2-CE2 4.37Å |
| 843 | T | 93.8 | Very high | 92.8 | Very high | 98 Ų | 98 | 35 Ų | 35 | 60% | 0.601 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -59.8 | -42.5 | 179.3 | -58.7 | 0 | 0 | 0 | 0 | 112 | D839 G847 | D839-T843 VanDerWaalsContact O-CB 3.3Å; D839-T843 WeakPolarHBondContact O-CB 3.28Å; D839-T843 PolarHBondContact O-N 3.1Å; D839-T843 PolarHBondContact O-OG1 3.04Å; T843-G847 PolarHBondContact O-N 2.93Å |
| 844 | L | 93.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 36 Ų | 36 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 178.4 | 172.8 | 67.5 | 0 | 0 | 0 | 112.1 | M798 F802 F806 M832 E840 L841 I842 | M798-L844 HydrophobicContact CE-CB 4.39Å; F802-L844 HydrophobicContact CB-CD1 4.2Å; F802-L844 HydrophobicContact CB-CD2 3.86Å; F802-L844 HydrophobicContact CD1-CD2 4.43Å; F802-L844 HydrophobicContact CG-CD2 4.44Å; F806-L844 HydrophobicContact CD2-CD2 3.86Å; F806-L844 HydrophobicContact CD2-CG 4.37Å; F806-L844 HydrophobicContact CE2-CD2 3.56Å; F806-L844 HydrophobicContact CE2-CG 4.43Å; M832-L844 HydrophobicContact CE-CD2 4.37Å; E840-L844 VanDerWaalsContact O-CB 3.25Å; E840-L844 WeakPolarHBondContact O-CB 3.33Å; E840-L844 PolarHBondContact O-N 2.99Å; L841-L844 PolarHBondContact O-N 3.3Å; I842-L844 VanDerWaalsContact C-N 3.34Å; I842-L844 PolarHBondContact O-N 2.76Å |
| 845 | V | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74 | -41.8 | -177.7 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | F806 F810 L841 I842 G847 I848 L852 F853 | F806-V845 HydrophobicContact CD1-CG2 3.91Å; F806-V845 HydrophobicContact CD2-CG2 4.43Å; F806-V845 HydrophobicContact CE1-CG2 3.81Å; F806-V845 HydrophobicContact CE2-CG2 4.36Å; F806-V845 HydrophobicContact CG-CG2 4.23Å; F806-V845 HydrophobicContact CZ-CG2 4.06Å; F810-V845 HydrophobicContact CE2-CG1 4.21Å; F810-V845 HydrophobicContact CZ-CG1 3.85Å; L841-V845 HydrophobicContact CD1-CG2 4.19Å; L841-V845 PolarHBondContact O-N 2.8Å; L841-V845 VanDerWaalsContact O-N 3.09Å; I842-V845 PolarHBondContact O-N 2.9Å; V845-G847 PolarHBondContact O-N 3.32Å; V845-I848 WeakPolarHBondContact O-CB 3.45Å; V845-I848 PolarHBondContact O-N 3.45Å; V845-L852 HydrophobicContact CG1-CB 4.11Å; V845-L852 HydrophobicContact CG1-CD2 4.08Å; V845-L852 HydrophobicContact CG1-CG 3.96Å; V845-F853 HydrophobicContact CB-CB 4.13Å; V845-F853 HydrophobicContact CB-CD2 3.84Å; V845-F853 HydrophobicContact CB-CG 4.48Å; V845-F853 HydrophobicContact CG1-CB 3.9Å; V845-F853 HydrophobicContact CG1-CD2 4.01Å; V845-F853 HydrophobicContact CG1-CG 4.48Å; V845-F853 HydrophobicContact CG2-CD2 3.91Å |
| 846 | D | 94.3 | Very high | 92.9 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 19% | 0.187 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.2 | -21.4 | 177 | -79.6 | -2.5 | 0 | 0 | 0 | 112.8 | I842 I848 Q849 S850 N851 L852 F853 Y921 | I842-D846 WeakPolarHBondContact O-CB 3.31Å; I842-D846 PolarHBondContact O-N 2.56Å; D846-I848 PolarHBondContact O-N 3.24Å; D846-Q849 WeakPolarHBondContact CA-O 3.3Å; D846-Q849 CarbonylContact O-C 3.3Å; D846-Q849 PolarHBondContact O-N 2.92Å; D846-S850 PolarHBondContact O-N 3.33Å; D846-N851 WeakPolarHBondContact OD1-CA 3.39Å; D846-N851 PolarHBondContact OD1-N 3.34Å; D846-L852 PolarHBondContact OD1-N 3.42Å; D846-F853 PolarHBondContact OD1-N 3.2Å; D846-Y921 VanDerWaalsContact CG-OH 3.23Å; D846-Y921 PolarHBondContact OD1-OH 3.12Å; D846-Y921 PolarHBondContact OD2-OH 3.01Å |
| 847 | G | 92.2 | Very high | 93.2 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R803 T843 V845 | R803-G847 PolarHBondContact NH2-O 3.08Å; T843-G847 PolarHBondContact O-N 2.93Å; V845-G847 PolarHBondContact O-N 3.32Å |
| 848 | I | 92.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 18% | 0.179 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -49.2 | 170.3 | -63.6 | 167.4 | 0 | 0 | 0 | 110.1 | R803 F806 M807 F810 V845 D846 L852 | R803-I848 HydrophobicContact CG-CD1 4.26Å; R803-I848 HydrophobicContact CG-CG1 3.76Å; F806-I848 HydrophobicContact CB-CD1 3.66Å; M807-I848 HydrophobicContact CE-CG2 3.88Å; M807-I848 HydrophobicContact CG-CD1 4.4Å; M807-I848 HydrophobicContact CG-CG2 4.37Å; F810-I848 HydrophobicContact CE2-CD1 4.01Å; V845-I848 WeakPolarHBondContact O-CB 3.45Å; V845-I848 PolarHBondContact O-N 3.45Å; D846-I848 PolarHBondContact O-N 3.24Å; I848-L852 HydrophobicContact CB-CD2 4.26Å; I848-L852 HydrophobicContact CG2-CD2 4.18Å |
| 849 | Q | 91.7 | Very high | 93.2 | Very high | 107 Ų | 107 | 50.9 Ų | 50.9 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -155 | 133.7 | 176.3 | 174.8 | -177.5 | -16.7 | 0 | 0 | 108.3 | D846 N851 L852 | D846-Q849 WeakPolarHBondContact CA-O 3.3Å; D846-Q849 CarbonylContact O-C 3.3Å; D846-Q849 PolarHBondContact O-N 2.92Å; Q849-N851 PolarHBondContact O-N 2.94Å; Q849-L852 HydrophobicContact CB-CB 4.17Å; Q849-L852 HydrophobicContact CB-CD2 4.29Å; Q849-L852 WeakPolarHBondContact O-CB 3.43Å; Q849-L852 PolarHBondContact O-N 3.26Å; Q849-L852 VanDerWaalsContact O-N 3.11Å |
| 850 | S | 91.9 | Very high | 93.2 | Very high | 101 Ų | 101 | 49 Ų | 49 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 135.7 | -178 | -48.9 | 0 | 0 | 0 | 0 | 112.7 | D846 L852 | D846-S850 PolarHBondContact O-N 3.33Å; S850-L852 PolarHBondContact O-N 3.14Å |
| 851 | N | 89.3 | Confident | 93.2 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 21.7 | -177.1 | -62.2 | -48.2 | 0 | 0 | 0 | 114.6 | D846 Q849 F853 A854 T920 | D846-N851 WeakPolarHBondContact OD1-CA 3.39Å; D846-N851 PolarHBondContact OD1-N 3.34Å; Q849-N851 PolarHBondContact O-N 2.94Å; N851-F853 VanDerWaalsContact C-N 3.3Å; N851-A854 PolarHBondContact O-N 2.74Å; N851-T920 PolarHBondContact OD1-OG1 3.41Å |
| 852 | L | 93.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 176.2 | -179.9 | 60.8 | 0 | 0 | 0 | 110.7 | F810 V845 D846 I848 Q849 S850 A854 R855 V856 | F810-L852 HydrophobicContact CD2-CD2 3.9Å; F810-L852 HydrophobicContact CE2-CD2 3.48Å; F810-L852 VanDerWaalsContact CE2-CD2 3.48Å; F810-L852 HydrophobicContact CE2-CG 4.32Å; F810-L852 HydrophobicContact CZ-CD2 4.08Å; F810-L852 HydrophobicContact CZ-CG 4.46Å; V845-L852 HydrophobicContact CG1-CB 4.11Å; V845-L852 HydrophobicContact CG1-CD2 4.08Å; V845-L852 HydrophobicContact CG1-CG 3.96Å; D846-L852 PolarHBondContact OD1-N 3.42Å; I848-L852 HydrophobicContact CB-CD2 4.26Å; I848-L852 HydrophobicContact CG2-CD2 4.18Å; Q849-L852 HydrophobicContact CB-CB 4.17Å; Q849-L852 HydrophobicContact CB-CD2 4.29Å; Q849-L852 WeakPolarHBondContact O-CB 3.43Å; Q849-L852 PolarHBondContact O-N 3.26Å; Q849-L852 VanDerWaalsContact O-N 3.11Å; S850-L852 PolarHBondContact O-N 3.14Å; L852-A854 PolarHBondContact O-N 3.43Å; L852-R855 PolarHBondContact O-N 3.31Å; L852-R855 VanDerWaalsContact O-N 3.14Å; L852-V856 PolarHBondContact O-N 3.49Å |
| 853 | F | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -31.5 | 179.4 | -165.6 | -88.6 | 0 | 0 | 0 | 111.7 | L841 I842 V845 D846 N851 R855 V856 L857 F907 Y921 | L841-F853 HydrophobicContact CD1-CE2 4.38Å; L841-F853 HydrophobicContact CD2-CE2 3.79Å; L841-F853 HydrophobicContact CD2-CZ 4.05Å; L841-F853 HydrophobicContact CG-CD2 4.43Å; L841-F853 HydrophobicContact CG-CE2 3.71Å; L841-F853 HydrophobicContact CG-CZ 4.32Å; I842-F853 HydrophobicContact CG1-CD1 3.74Å; I842-F853 HydrophobicContact CG1-CE1 4.01Å; I842-F853 HydrophobicContact CG1-CG 4.08Å; V845-F853 HydrophobicContact CB-CB 4.13Å; V845-F853 HydrophobicContact CB-CD2 3.84Å; V845-F853 HydrophobicContact CB-CG 4.48Å; V845-F853 HydrophobicContact CG1-CB 3.9Å; V845-F853 HydrophobicContact CG1-CD2 4.01Å; V845-F853 HydrophobicContact CG1-CG 4.48Å; V845-F853 HydrophobicContact CG2-CD2 3.91Å; D846-F853 PolarHBondContact OD1-N 3.2Å; N851-F853 VanDerWaalsContact C-N 3.3Å; F853-R855 PolarHBondContact O-N 3.32Å; F853-V856 CarbonylContact O-C 3.37Å; F853-V856 WeakPolarHBondContact O-CA 3.49Å; F853-V856 WeakPolarHBondContact O-CB 3.36Å; F853-V856 PolarHBondContact O-N 2.94Å; F853-L857 HydrophobicContact CD1-CB 4.44Å; F853-L857 HydrophobicContact CE1-CB 4.26Å; F853-L857 WeakPolarHBondContact O-CB 3.14Å; F853-L857 PolarHBondContact O-N 3.33Å; F853-F907 HydrophobicContact CD1-CZ 4.4Å; F853-F907 HydrophobicContact CE1-CE1 4.05Å; F853-F907 HydrophobicContact CE1-CE2 4.11Å; F853-F907 AromaticContact CE1-CZ 3.31Å; F853-F907 HydrophobicContact CE1-CZ 3.31Å; F853-F907 HydrophobicContact CZ-CE1 4.48Å; F853-F907 AromaticContact CZ-CE2 3.91Å; F853-F907 HydrophobicContact CZ-CE2 3.91Å; F853-F907 AromaticContact CZ-CZ 3.56Å; F853-F907 HydrophobicContact CZ-CZ 3.56Å; F853-Y921 HydrophobicContact CB-CE1 4.11Å; F853-Y921 AromaticContact CD1-CE1 3.93Å; F853-Y921 HydrophobicContact CD1-CE1 3.93Å |
| 854 | A | 93.1 | Very high | 93.3 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N851 L852 L857 E858 Y921 | N851-A854 PolarHBondContact O-N 2.74Å; L852-A854 PolarHBondContact O-N 3.43Å; A854-L857 PolarHBondContact O-N 3.19Å; A854-E858 WeakPolarHBondContact O-CB 3.47Å; A854-E858 PolarHBondContact O-N 3.1Å; A854-Y921 VanDerWaalsContact CA-CE1 3.48Å; A854-Y921 HydrophobicContact CB-CD1 4.13Å; A854-Y921 HydrophobicContact CB-CE1 3.62Å; A854-Y921 VanDerWaalsContact N-CE1 3.3Å; A854-Y921 PolarHBondContact N-OH 3.4Å |
| 855 | R | 92.4 | Very high | 93.4 | Very high | 159 Ų | 159 | 45.8 Ų | 45.8 | 60% | 0.6 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -70.9 | -35.7 | 174.8 | -63.5 | -177.4 | 178.8 | -179.1 | -0.8 | 112.5 | L852 F853 K859 | L852-R855 PolarHBondContact O-N 3.31Å; L852-R855 VanDerWaalsContact O-N 3.14Å; F853-R855 PolarHBondContact O-N 3.32Å; R855-K859 VanDerWaalsContact O-CB 3.27Å; R855-K859 WeakPolarHBondContact O-CB 3.3Å; R855-K859 WeakPolarHBondContact O-CG 3.36Å; R855-K859 PolarHBondContact O-N 3.46Å |
| 856 | V | 93.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 110 | F810 F825 I829 L852 F853 V860 L861 | F810-V856 HydrophobicContact CE1-CG2 3.64Å; F810-V856 HydrophobicContact CZ-CG2 3.96Å; F825-V856 HydrophobicContact CE1-CG1 4.07Å; F825-V856 HydrophobicContact CZ-CG1 4.11Å; I829-V856 HydrophobicContact CD1-CG1 3.6Å; L852-V856 PolarHBondContact O-N 3.49Å; F853-V856 CarbonylContact O-C 3.37Å; F853-V856 WeakPolarHBondContact O-CA 3.49Å; F853-V856 WeakPolarHBondContact O-CB 3.36Å; F853-V856 PolarHBondContact O-N 2.94Å; V856-V860 HydrophobicContact CG1-CB 4.15Å; V856-V860 HydrophobicContact CG1-CG2 4.17Å; V856-V860 VanDerWaalsContact O-CA 3.31Å; V856-V860 WeakPolarHBondContact O-CA 3.25Å; V856-V860 WeakPolarHBondContact O-CB 3.44Å; V856-V860 PolarHBondContact O-N 3.33Å; V856-L861 PolarHBondContact O-N 2.84Å |
| 857 | L | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -58.9 | -50.7 | 176.4 | -176.2 | 57.3 | 0 | 0 | 0 | 111.4 | F853 A854 L861 I862 F907 L914 Y921 L928 | F853-L857 HydrophobicContact CD1-CB 4.44Å; F853-L857 HydrophobicContact CE1-CB 4.26Å; F853-L857 WeakPolarHBondContact O-CB 3.14Å; F853-L857 PolarHBondContact O-N 3.33Å; A854-L857 PolarHBondContact O-N 3.19Å; L857-L861 HydrophobicContact CD1-CB 4.06Å; L857-L861 HydrophobicContact CD1-CD2 3.7Å; L857-L861 HydrophobicContact CD1-CG 4.39Å; L857-L861 PolarHBondContact O-N 3.32Å; L857-I862 HydrophobicContact CD1-CD1 4.37Å; L857-I862 HydrophobicContact CD1-CG1 4.25Å; L857-I862 HydrophobicContact CG-CD1 4.11Å; L857-I862 HydrophobicContact CG-CG1 4.48Å; L857-I862 WeakPolarHBondContact O-CB 3.44Å; L857-I862 WeakPolarHBondContact O-CG1 3.49Å; L857-I862 PolarHBondContact O-N 3.04Å; L857-F907 HydrophobicContact CD1-CE1 4.18Å; L857-L914 HydrophobicContact CD2-CD2 4.17Å; L857-Y921 HydrophobicContact CD2-CD1 4.14Å; L857-L928 HydrophobicContact CD1-CD2 4.08Å |
| 858 | E | 93.7 | Very high | 93 | Very high | 99 Ų | 99 | 44.6 Ų | 44.6 | 46% | 0.463 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -68.7 | -42.2 | -178.4 | -164.9 | -155.9 | 153.6 | 0 | 0 | 113.2 | A854 P863 | A854-E858 WeakPolarHBondContact O-CB 3.47Å; A854-E858 PolarHBondContact O-N 3.1Å; E858-P863 WeakPolarHBondContact O-CD 3.39Å; E858-P863 VanDerWaalsContact O-CG 3.32Å; E858-P863 WeakPolarHBondContact O-CG 3.5Å |
| 859 | K | 92 | Very high | 93 | Very high | 126 Ų | 126 | 43 Ų | 43 | 55% | 0.548 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -100.6 | -15.1 | -170.2 | -55.4 | -56.8 | -174.2 | -163.6 | 0 | 114.7 | M822 R855 | M822-K859 VanDerWaalsContact CE-O 3.28Å; M822-K859 WeakPolarHBondContact CE-O 3.43Å; R855-K859 VanDerWaalsContact O-CB 3.27Å; R855-K859 WeakPolarHBondContact O-CB 3.3Å; R855-K859 WeakPolarHBondContact O-CG 3.36Å; R855-K859 PolarHBondContact O-N 3.46Å |
| 860 | V | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -122.2 | -55.4 | -177.8 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | L813 M822 F825 A826 V856 Y864 | L813-V860 HydrophobicContact CD2-CG2 4.25Å; M822-V860 HydrophobicContact CE-CB 4.06Å; M822-V860 HydrophobicContact CE-CG1 4.06Å; M822-V860 HydrophobicContact CE-CG2 3.73Å; F825-V860 HydrophobicContact CB-CG1 4.32Å; F825-V860 HydrophobicContact CD1-CB 4.39Å; F825-V860 HydrophobicContact CD1-CG1 3.54Å; F825-V860 HydrophobicContact CD1-CG2 4.14Å; F825-V860 HydrophobicContact CE1-CG1 4.11Å; F825-V860 HydrophobicContact CE1-CG2 4.1Å; F825-V860 HydrophobicContact CG-CG1 4.16Å; A826-V860 HydrophobicContact CB-CG1 4.33Å; V856-V860 HydrophobicContact CG1-CB 4.15Å; V856-V860 HydrophobicContact CG1-CG2 4.17Å; V856-V860 VanDerWaalsContact O-CA 3.31Å; V856-V860 WeakPolarHBondContact O-CA 3.25Å; V856-V860 WeakPolarHBondContact O-CB 3.44Å; V856-V860 PolarHBondContact O-N 3.33Å; V860-Y864 VanDerWaalsContact O-CD2 3.25Å; V860-Y864 WeakPolarHBondContact O-CD2 3.29Å |
| 861 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -75.3 | -54.8 | -169.6 | -162.7 | 64.4 | 0 | 0 | 0 | 111.8 | A826 I829 V856 L857 Y864 A865 L904 F907 L928 | A826-L861 HydrophobicContact CB-CD1 4.12Å; I829-L861 HydrophobicContact CB-CD1 4.11Å; I829-L861 HydrophobicContact CD1-CD1 4.41Å; I829-L861 HydrophobicContact CG2-CD1 3.77Å; I829-L861 HydrophobicContact CG2-CD2 4.03Å; V856-L861 PolarHBondContact O-N 2.84Å; L857-L861 HydrophobicContact CD1-CB 4.06Å; L857-L861 HydrophobicContact CD1-CD2 3.7Å; L857-L861 HydrophobicContact CD1-CG 4.39Å; L857-L861 PolarHBondContact O-N 3.32Å; L861-Y864 PolarHBondContact O-N 2.92Å; L861-A865 VanDerWaalsContact O-CB 3.25Å; L861-A865 WeakPolarHBondContact O-CB 3.3Å; L861-A865 PolarHBondContact O-N 3.11Å; L861-L904 HydrophobicContact CD1-CD2 3.7Å; L861-L904 HydrophobicContact CD2-CD2 4.07Å; L861-L904 HydrophobicContact CG-CD2 4.04Å; L861-F907 HydrophobicContact CD2-CD1 4.34Å; L861-F907 HydrophobicContact CD2-CE1 4.41Å; L861-L928 HydrophobicContact CD2-CD1 4.4Å; L861-L928 HydrophobicContact CD2-CD2 4.13Å; L861-L928 HydrophobicContact CG-CD1 4.27Å |
| 862 | I | 95.8 | Very high | 91 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | -178.1 | -69.3 | 165.7 | 0 | 0 | 0 | 112.5 | L857 Y864 P927 L928 K931 | L857-I862 HydrophobicContact CD1-CD1 4.37Å; L857-I862 HydrophobicContact CD1-CG1 4.25Å; L857-I862 HydrophobicContact CG-CD1 4.11Å; L857-I862 HydrophobicContact CG-CG1 4.48Å; L857-I862 WeakPolarHBondContact O-CB 3.44Å; L857-I862 WeakPolarHBondContact O-CG1 3.49Å; L857-I862 PolarHBondContact O-N 3.04Å; I862-Y864 PolarHBondContact O-N 3.38Å; I862-Y864 VanDerWaalsContact O-N 3.17Å; I862-P927 HydrophobicContact CD1-CB 4.17Å; I862-P927 HydrophobicContact CG2-CB 4.07Å; I862-L928 HydrophobicContact CG1-CB 4.12Å; I862-L928 HydrophobicContact CG1-CD1 4.37Å; I862-K931 HydrophobicContact CG2-CG 4.39Å; I862-K931 WeakPolarHBondContact O-CG 3.45Å |
| 863 | P | 94.6 | Very high | 89.7 | Confident | 54 Ų | 54 | 34 Ų | 34 | 35% | 0.351 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.2 | -18.6 | -176.3 | -22 | 34.8 | 0 | 0 | 0 | 114.6 | E858 | E858-P863 WeakPolarHBondContact O-CD 3.39Å; E858-P863 VanDerWaalsContact O-CG 3.32Å; E858-P863 WeakPolarHBondContact O-CG 3.5Å |
| 864 | Y | 94.1 | Very high | 87.8 | Confident | 45 Ų | 45 | 36.7 Ų | 36.7 | 18% | 0.176 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -120.4 | -5.4 | -173.5 | -66.1 | -87.1 | 0 | 0 | 0 | 114 | E819 M822 K823 V860 L861 I862 D866 I867 I868 | E819-Y864 HydrophobicContact CG-CE1 3.73Å; M822-Y864 HydrophobicContact CB-CD1 4.28Å; M822-Y864 HydrophobicContact CB-CD2 3.99Å; M822-Y864 HydrophobicContact CB-CE1 3.83Å; M822-Y864 HydrophobicContact CB-CE2 3.53Å; M822-Y864 HydrophobicContact CB-CG 4.34Å; M822-Y864 VanDerWaalsContact CB-CZ 3.42Å; M822-Y864 HydrophobicContact CE-CD2 4.39Å; M822-Y864 HydrophobicContact CE-CE2 3.76Å; M822-Y864 HydrophobicContact CG-CE2 4.02Å; K823-Y864 HydrophobicContact CG-CD1 3.61Å; K823-Y864 HydrophobicContact CG-CE1 4.15Å; K823-Y864 HydrophobicContact CG-CG 4.49Å; V860-Y864 VanDerWaalsContact O-CD2 3.25Å; V860-Y864 WeakPolarHBondContact O-CD2 3.29Å; L861-Y864 PolarHBondContact O-N 2.92Å; I862-Y864 PolarHBondContact O-N 3.38Å; I862-Y864 VanDerWaalsContact O-N 3.17Å; Y864-D866 PolarHBondContact O-N 3.27Å; Y864-I867 HydrophobicContact CD1-CD1 4.1Å; Y864-I867 PolarHBondContact O-N 2.94Å; Y864-I867 VanDerWaalsContact O-N 3.09Å; Y864-I868 WeakPolarHBondContact O-CG2 3.25Å; Y864-I868 PolarHBondContact O-N 3.18Å |
| 865 | A | 94.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L861 I868 I869 L904 L928 K931 | L861-A865 VanDerWaalsContact O-CB 3.25Å; L861-A865 WeakPolarHBondContact O-CB 3.3Å; L861-A865 PolarHBondContact O-N 3.11Å; A865-I868 WeakPolarHBondContact O-CG1 3.48Å; A865-I869 WeakPolarHBondContact O-CD1 3.39Å; A865-I869 VanDerWaalsContact O-CG1 3.32Å; A865-I869 WeakPolarHBondContact O-CG1 3.49Å; A865-I869 PolarHBondContact O-N 3.2Å; A865-L904 HydrophobicContact CB-CD1 3.86Å; A865-L928 HydrophobicContact CB-CD1 3.73Å; A865-K931 HydrophobicContact CB-CB 3.8Å |
| 866 | D | 92.7 | Very high | 83.1 | Confident | 25 Ų | 25 | 34.2 Ų | 34.2 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.8 | 53.9 | -13 | 0 | 0 | 0 | 111.7 | Y864 I869 A870 K931 T934 G935 | Y864-D866 PolarHBondContact O-N 3.27Å; D866-I869 PolarHBondContact O-N 3.44Å; D866-A870 VanDerWaalsContact O-CB 3.23Å; D866-A870 WeakPolarHBondContact O-CB 3.5Å; D866-A870 PolarHBondContact O-N 3.09Å; D866-K931 WeakPolarHBondContact CA-O 3.46Å; D866-K931 HydrophobicContact CB-CB 4.44Å; D866-K931 HydrophobicContact CB-CD 3.94Å; D866-K931 WeakPolarHBondContact CB-O 3.47Å; D866-K931 VanDerWaalsContact CG-CD 3.46Å; D866-K931 IonicContact OD1-NZ 3.4Å; D866-K931 WeakPolarHBondContact OD2-CD 3.26Å; D866-K931 IonicContact OD2-NZ 2.82Å; D866-K931 PolarHBondContact OD2-NZ 2.93Å; D866-T934 HydrophobicContact CB-CG2 4.16Å; D866-G935 WeakPolarHBondContact O-CA 3.31Å |
| 867 | I | 90.7 | Very high | 80.2 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 16% | 0.159 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.2 | -43.3 | -178 | -56.6 | 165.6 | 0 | 0 | 0 | 112 | K823 Y864 I869 A870 T871 | K823-I867 HydrophobicContact CD-CG2 3.97Å; K823-I867 VanDerWaalsContact CE-CG2 3.47Å; K823-I867 HydrophobicContact CG-CG2 4.46Å; Y864-I867 HydrophobicContact CD1-CD1 4.1Å; Y864-I867 PolarHBondContact O-N 2.94Å; Y864-I867 VanDerWaalsContact O-N 3.09Å; I867-I869 VanDerWaalsContact C-N 3.27Å; I867-I869 PolarHBondContact O-N 3.47Å; I867-A870 PolarHBondContact O-N 3.4Å; I867-T871 PolarHBondContact O-N 3.43Å |
| 868 | I | 90.8 | Very high | 77.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.4 | -24 | -179.4 | 66.1 | 168.7 | 0 | 0 | 0 | 112.8 | K823 A826 Y864 A865 L873 N900 L904 | K823-I868 HydrophobicContact CB-CG2 4.06Å; K823-I868 HydrophobicContact CG-CG2 4.46Å; K823-I868 WeakPolarHBondContact O-CG2 3.02Å; A826-I868 HydrophobicContact CB-CD1 3.94Å; A826-I868 HydrophobicContact CB-CG2 4.14Å; Y864-I868 WeakPolarHBondContact O-CG2 3.25Å; Y864-I868 PolarHBondContact O-N 3.18Å; A865-I868 WeakPolarHBondContact O-CG1 3.48Å; I868-L873 HydrophobicContact CG2-CD2 4.16Å; I868-N900 PolarHBondContact O-ND2 3.03Å; I868-L904 HydrophobicContact CD1-CD1 4.04Å; I868-L904 HydrophobicContact CG1-CD1 4.28Å |
| 869 | I | 90.9 | Very high | 74 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.4 | -54.1 | 168.1 | -68.2 | 167.8 | 0 | 0 | 0 | 108.3 | A865 D866 I867 T871 W897 S901 L904 I932 G935 L936 | A865-I869 WeakPolarHBondContact O-CD1 3.39Å; A865-I869 VanDerWaalsContact O-CG1 3.32Å; A865-I869 WeakPolarHBondContact O-CG1 3.49Å; A865-I869 PolarHBondContact O-N 3.2Å; D866-I869 PolarHBondContact O-N 3.44Å; I867-I869 VanDerWaalsContact C-N 3.27Å; I867-I869 PolarHBondContact O-N 3.47Å; I869-T871 PolarHBondContact O-N 3.11Å; I869-W897 VanDerWaalsContact O-CD1 3.23Å; I869-S901 WeakPolarHBondContact CG2-OG 3.48Å; I869-L904 HydrophobicContact CD1-CD1 3.77Å; I869-L904 HydrophobicContact CG1-CD1 3.96Å; I869-I932 HydrophobicContact CD1-CB 4.23Å; I869-I932 HydrophobicContact CD1-CG1 4.23Å; I869-I932 HydrophobicContact CD1-CG2 4.15Å; I869-G935 WeakPolarHBondContact CG2-O 3.49Å; I869-L936 HydrophobicContact CG2-CD2 4.35Å |
| 870 | A | 84.3 | Confident | 70.9 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.4 | -32.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D866 I867 T938 G941 | D866-A870 VanDerWaalsContact O-CB 3.23Å; D866-A870 WeakPolarHBondContact O-CB 3.5Å; D866-A870 PolarHBondContact O-N 3.09Å; I867-A870 PolarHBondContact O-N 3.4Å; A870-T938 WeakPolarHBondContact CB-OG1 3.43Å; A870-G941 VanDerWaalsContact O-CA 3.27Å; A870-G941 WeakPolarHBondContact O-CA 3.36Å; A870-G941 PolarHBondContact O-N 3.32Å |
| 871 | T | 78.4 | Confident | 67.7 | Low | 44 Ų | 44 | 51.5 Ų | 51.5 | 27% | 0.27 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -125.2 | 133.6 | -170.7 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | I867 I869 | I867-T871 PolarHBondContact O-N 3.43Å; I869-T871 PolarHBondContact O-N 3.11Å |
| 872 | P | 69.1 | Low | 64.4 | Low | 36 Ų | 36 | 55.6 Ų | 55.6 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | trans | -62.9 | 148.7 | 173.5 | 30.8 | -38.9 | 0 | 0 | 0 | 111.4 | V893 E896 | P872-V893 HydrophobicContact CB-CG2 3.93Å; P872-V893 HydrophobicContact CG-CG1 4.35Å; P872-V893 HydrophobicContact CG-CG2 3.79Å; P872-E896 VanDerWaalsContact CA-OE2 3.28Å; P872-E896 WeakPolarHBondContact CA-OE2 3.47Å; P872-E896 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 873 | L | 65.3 | Low | 61 | Low | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -84.2 | -30.5 | -176.8 | -67.1 | 158.5 | 0 | 0 | 0 | 112.9 | K823 S827 I868 E896 | K823-L873 HydrophobicContact CB-CD2 3.43Å; K823-L873 VanDerWaalsContact CB-CD2 3.43Å; S827-L873 WeakPolarHBondContact OG-CD1 3.23Å; I868-L873 HydrophobicContact CG2-CD2 4.16Å; L873-E896 PolarHBondContact N-OE2 2.91Å |
| 874 | I | 56.1 | Low | 57.8 | Low | 58 Ų | 58 | 64.4 Ų | 64.4 | 30% | 0.297 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -114.2 | 104 | 177.7 | -59.9 | 170.5 | 0 | 0 | 0 | 105.5 | V779 T876 | V779-I874 HydrophobicContact CG1-CD1 3.81Å; V779-I874 HydrophobicContact CG1-CG1 3.37Å; I874-T876 PolarHBondContact O-N 2.73Å; I874-T876 VanDerWaalsContact O-N 3.09Å |
| 875 | S | 47.5 | Very low | 54.7 | Low | 76 Ų | 76 | 69.2 Ų | 69.2 | 53% | 0.531 | 40% | 0.402 | S | S | . | . | trans | -66.2 | 112 | 161.2 | 66.5 | 0 | 0 | 0 | 0 | 106 | S877 | S875-S877 WeakPolarHBondContact CB-O 3.16Å; S875-S877 PolarHBondContact O-N 3.03Å; S875-S877 PolarHBondContact OG-O 3.05Å | ||
| 876 | T | 39.1 | Very low | 51.6 | Low | 52 Ų | 52 | 74.7 Ų | 74.7 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -62.6 | -7.5 | 169.2 | 48 | 0 | 0 | 0 | 0 | 111.5 | I874 | I874-T876 PolarHBondContact O-N 2.73Å; I874-T876 VanDerWaalsContact O-N 3.09Å |
| 877 | S | 32.7 | Very low | 49.5 | Very low | 49 Ų | 49 | 77.5 Ų | 77.5 | 34% | 0.343 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -100 | 100.1 | 164.1 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | S875 | S875-S877 WeakPolarHBondContact CB-O 3.16Å; S875-S877 PolarHBondContact O-N 3.03Å; S875-S877 PolarHBondContact OG-O 3.05Å |
| 878 | G | 30.1 | Very low | 47.6 | Very low | 55 Ų | 55 | 80 Ų | 80 | 57% | 0.567 | 48% | 0.475 | S | S | * | . | trans | -62.6 | 142.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | T880 | G878-T880 PolarHBondContact O-N 2.99Š| ||
| 879 | F | 27.5 | Very low | 45.9 | Very low | 192 Ų | 192 | 81 Ų | 81 | 84% | 0.842 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 75.8 | -9.6 | 161.1 | -70.5 | -81.9 | 0 | 0 | 0 | 122.8 | K881 | F879-K881 PolarHBondContact O-N 2.91Š|
| 880 | T | 27.1 | Very low | 44.5 | Very low | 83 Ų | 83 | 81.9 Ų | 81.9 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | trans | -82.1 | 108.6 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | G878 S882 | G878-T880 PolarHBondContact O-N 2.99Å; T880-S882 PolarHBondContact O-N 3.5Å | ||
| 881 | K | 25.2 | Very low | 43.7 | Very low | 215 Ų | 215 | 82.4 Ų | 82.4 | 94% | 0.935 | 49% | 0.49 | S | S | * | . | trans | -75.9 | 8.7 | 172.1 | -84.5 | -177.2 | 176.3 | 176.2 | 0 | 114 | F879 A883 | F879-K881 PolarHBondContact O-N 2.91Å; K881-A883 PolarHBondContact O-N 3.3Å | ||
| 882 | S | 26.1 | Very low | 43.1 | Very low | 85 Ų | 85 | 81.5 Ų | 81.5 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | trans | -88.1 | 104.2 | -174.8 | 39.6 | 0 | 0 | 0 | 0 | 112.1 | T880 E884 | T880-S882 PolarHBondContact O-N 3.5Å; S882-E884 PolarHBondContact O-N 3.32Å | ||
| 883 | A | 24 | Very low | 43.3 | Very low | 97 Ų | 97 | 80.8 Ų | 80.8 | 80% | 0.802 | 48% | 0.481 | S | S | * | . | trans | -73.9 | 55 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K881 | K881-A883 PolarHBondContact O-N 3.3Š| ||
| 884 | E | 27.1 | Very low | 43.9 | Very low | 166 Ų | 166 | 79.2 Ų | 79.2 | 78% | 0.776 | 47% | 0.473 | S | S | * | . | trans | -97 | 104.3 | 175.1 | -74.1 | -168.5 | 169.4 | 0 | 0 | 111.9 | S882 S886 | S882-E884 PolarHBondContact O-N 3.32Å; E884-S886 PolarHBondContact O-N 2.92Å; E884-S886 VanDerWaalsContact O-N 3.11Å | ||
| 885 | V | 28.1 | Very low | 45 | Very low | 146 Ų | 146 | 78 Ų | 78 | 89% | 0.885 | 47% | 0.468 | S | S | * | . | trans | -71.8 | 84.4 | 178 | 180 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 886 | S | 29.9 | Very low | 46.6 | Very low | 115 Ų | 115 | 76.5 Ų | 76.5 | 80% | 0.804 | 45% | 0.453 | S | S | * | . | trans | -166.4 | 26.5 | 162 | 69.1 | 0 | 0 | 0 | 0 | 116.2 | E884 | E884-S886 PolarHBondContact O-N 2.92Å; E884-S886 VanDerWaalsContact O-N 3.11Å | ||
| 887 | S | 49.9 | Very low | 48.9 | Very low | 84 Ų | 84 | 74.2 Ų | 74.2 | 59% | 0.587 | 44% | 0.438 | S | S | * | . | trans | -118.9 | 130.3 | -177.7 | 80.4 | 0 | 0 | 0 | 0 | 112.9 | R968 | S887-R968 PolarHBondContact OG-NH1 3.41Å; S887-R968 VanDerWaalsContact OG-NH1 3.1Å | ||
| 888 | L | 50.9 | Low | 51.6 | Low | 85 Ų | 85 | 72.3 Ų | 72.3 | 45% | 0.445 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -48.6 | 140.4 | 176 | -77 | 90.4 | 0 | 0 | 0 | 110.2 | S890 L950 R968 | L888-S890 PolarHBondContact O-N 3.4Å; L888-L950 HydrophobicContact CB-CD2 4.07Å; L888-L950 HydrophobicContact CD2-CD1 4Å; L888-L950 HydrophobicContact CD2-CD2 3.62Å; L888-L950 HydrophobicContact CD2-CG 4.28Å; L888-L950 HydrophobicContact CG-CD2 3.61Å; L888-R968 PolarHBondContact O-NH1 2.77Å; L888-R968 PolarHBondContact O-NH2 3.08Å |
| 889 | P | 54.1 | Low | 54.5 | Low | 21 Ų | 21 | 70.2 Ų | 70.2 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 138.4 | 173 | 26.6 | -33.4 | 0 | 0 | 0 | 109.9 | V893 P940 L950 I954 | P889-V893 HydrophobicContact CB-CB 4.48Å; P889-V893 HydrophobicContact CB-CG1 4.31Å; P889-P940 HydrophobicContact CB-CB 4.01Å; P889-P940 HydrophobicContact CB-CG 4.41Å; P889-P940 HydrophobicContact CG-CB 4.27Å; P889-P940 HydrophobicContact CG-CG 4.14Å; P889-L950 HydrophobicContact CG-CD2 4.37Å; P889-I954 HydrophobicContact CG-CD1 4.49Å |
| 890 | S | 62.8 | Low | 57.6 | Low | 19 Ų | 19 | 61.1 Ų | 61.1 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 160.6 | 174.8 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | L888 S892 V893 C894 | L888-S890 PolarHBondContact O-N 3.4Å; S890-S892 PolarHBondContact O-N 3.28Å; S890-S892 PolarHBondContact OG-OG 3.37Å; S890-V893 PolarHBondContact O-N 3.25Å; S890-V893 VanDerWaalsContact O-N 3.16Å; S890-V893 VanDerWaalsContact OG-CG2 3.29Å; S890-V893 WeakPolarHBondContact OG-CG2 3.38Å; S890-V893 PolarHBondContact OG-N 3.17Å; S890-C894 PolarHBondContact O-N 3.22Å; S890-C894 VanDerWaalsContact O-N 3.16Å; S890-C894 PolarHBondContact O-SG 3.28Å |
| 891 | T | 66.1 | Low | 60.8 | Low | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 178.8 | -44.3 | 0 | 0 | 0 | 0 | 111.4 | C894 T895 I954 D966 | T891-C894 PolarHBondContact O-N 3.36Å; T891-T895 PolarHBondContact O-N 3.03Å; T891-T895 PolarHBondContact O-OG1 3.39Å; T891-I954 HydrophobicContact CG2-CG2 4.15Å; T891-D966 VanDerWaalsContact CB-OD2 3.28Å; T891-D966 WeakPolarHBondContact CB-OD2 3.47Å; T891-D966 PolarHBondContact N-OD1 3.49Å; T891-D966 PolarHBondContact OG1-OD1 3.1Å; T891-D966 PolarHBondContact OG1-OD2 3.02Å; T891-D966 VanDerWaalsContact OG1-OD2 3.1Å |
| 892 | S | 67.1 | Low | 64 | Low | 25 Ų | 25 | 47 Ų | 47 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.3 | 56 | 0 | 0 | 0 | 0 | 112.6 | S890 C894 T895 E896 | S890-S892 PolarHBondContact O-N 3.28Å; S890-S892 PolarHBondContact OG-OG 3.37Å; S892-C894 VanDerWaalsContact C-N 3.29Å; S892-C894 PolarHBondContact O-N 3.39Å; S892-T895 PolarHBondContact O-N 3.3Å; S892-E896 PolarHBondContact O-N 3.35Å |
| 893 | V | 73.2 | Confident | 67.3 | Low | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.127 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 177.3 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | P872 P889 S890 W897 P940 | P872-V893 HydrophobicContact CB-CG2 3.93Å; P872-V893 HydrophobicContact CG-CG1 4.35Å; P872-V893 HydrophobicContact CG-CG2 3.79Å; P889-V893 HydrophobicContact CB-CB 4.48Å; P889-V893 HydrophobicContact CB-CG1 4.31Å; S890-V893 PolarHBondContact O-N 3.25Å; S890-V893 VanDerWaalsContact O-N 3.16Å; S890-V893 VanDerWaalsContact OG-CG2 3.29Å; S890-V893 WeakPolarHBondContact OG-CG2 3.38Å; S890-V893 PolarHBondContact OG-N 3.17Å; V893-W897 VanDerWaalsContact O-CB 3.3Å; V893-W897 WeakPolarHBondContact O-CB 3.43Å; V893-W897 PolarHBondContact O-N 3.35Å; V893-P940 HydrophobicContact CG1-CB 4.2Å |
| 894 | C | 77.8 | Confident | 70.7 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 177.8 | -58 | 0 | 0 | 0 | 0 | 111.5 | S890 T891 S892 R898 A951 | S890-C894 PolarHBondContact O-N 3.22Å; S890-C894 VanDerWaalsContact O-N 3.16Å; S890-C894 PolarHBondContact O-SG 3.28Å; T891-C894 PolarHBondContact O-N 3.36Å; S892-C894 VanDerWaalsContact C-N 3.29Å; S892-C894 PolarHBondContact O-N 3.39Å; C894-R898 WeakPolarHBondContact O-CB 3.36Å; C894-R898 PolarHBondContact O-N 2.85Å; C894-R898 VanDerWaalsContact O-N 3.16Å; C894-A951 HydrophobicContact CB-CB 3.97Å; C894-A951 WeakPolarHBondContact SG-CB 3.33Å |
| 895 | T | 79.2 | Confident | 74 | Confident | 31 Ų | 31 | 30.4 Ų | 30.4 | 19% | 0.19 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.8 | -45.3 | 177.8 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | T891 S892 R898 M899 | T891-T895 PolarHBondContact O-N 3.03Å; T891-T895 PolarHBondContact O-OG1 3.39Å; S892-T895 PolarHBondContact O-N 3.3Å; T895-R898 PolarHBondContact O-N 2.85Å; T895-M899 HydrophobicContact CG2-CG 4.19Å; T895-M899 HydrophobicContact CG2-SD 3.74Å; T895-M899 WeakPolarHBondContact O-CB 3.17Å; T895-M899 WeakPolarHBondContact O-CG 3.35Å; T895-M899 PolarHBondContact O-N 2.93Å |
| 896 | E | 81.6 | Confident | 77.2 | Confident | 45 Ų | 45 | 24.7 Ų | 24.7 | 21% | 0.21 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.4 | -76.4 | -169 | -172.4 | 0 | 0 | 112.1 | P872 L873 S892 R898 M899 N900 | P872-E896 VanDerWaalsContact CA-OE2 3.28Å; P872-E896 WeakPolarHBondContact CA-OE2 3.47Å; P872-E896 WeakPolarHBondContact CB-OE2 3.47Å; L873-E896 PolarHBondContact N-OE2 2.91Å; S892-E896 PolarHBondContact O-N 3.35Å; E896-R898 PolarHBondContact O-N 2.95Å; E896-M899 PolarHBondContact O-N 2.93Å; E896-N900 WeakPolarHBondContact O-CB 3.18Å; E896-N900 PolarHBondContact O-N 3.4Å; E896-N900 PolarHBondContact O-ND2 3.47Å |
| 897 | W | 87.1 | Confident | 80.3 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -51.7 | -48 | 174.7 | 165.1 | 71.8 | 0 | 0 | 0 | 110.9 | I869 V893 S901 L936 G939 A951 V952 P1002 | I869-W897 VanDerWaalsContact O-CD1 3.23Å; V893-W897 VanDerWaalsContact O-CB 3.3Å; V893-W897 WeakPolarHBondContact O-CB 3.43Å; V893-W897 PolarHBondContact O-N 3.35Å; W897-S901 VanDerWaalsContact O-CB 3.24Å; W897-S901 WeakPolarHBondContact O-CB 3.34Å; W897-S901 PolarHBondContact O-N 3.37Å; W897-S901 PolarHBondContact O-OG 2.93Å; W897-L936 HydrophobicContact CZ2-CD2 4.2Å; W897-G939 PolarHBondContact NE1-O 3.32Å; W897-A951 HydrophobicContact CE3-CB 4.18Å; W897-A951 HydrophobicContact CZ3-CB 4.08Å; W897-V952 HydrophobicContact CH2-CG2 3.83Å; W897-V952 HydrophobicContact CZ3-CG2 4.03Å; W897-P1002 HydrophobicContact CD2-CG 4.32Å; W897-P1002 HydrophobicContact CE3-CG 4.21Å; W897-P1002 VanDerWaalsContact CH2-CD 3.45Å; W897-P1002 HydrophobicContact CH2-CG 3.44Å; W897-P1002 VanDerWaalsContact CH2-CG 3.44Å; W897-P1002 HydrophobicContact CZ2-CG 3.53Å; W897-P1002 HydrophobicContact CZ3-CG 3.8Å |
| 898 | R | 89.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 15.3 Ų | 15.3 | 3% | 0.03 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.3 | -47.7 | -178.4 | -172.5 | 165.9 | 63.4 | 114.8 | -4.1 | 112.7 | C894 T895 E896 S901 I902 D994 Y996 A997 I999 T1000 | C894-R898 WeakPolarHBondContact O-CB 3.36Å; C894-R898 PolarHBondContact O-N 2.85Å; C894-R898 VanDerWaalsContact O-N 3.16Å; T895-R898 PolarHBondContact O-N 2.85Å; E896-R898 PolarHBondContact O-N 2.95Å; R898-S901 PolarHBondContact O-N 3.28Å; R898-I902 HydrophobicContact CG-CD1 3.68Å; R898-I902 HydrophobicContact CG-CG1 4.45Å; R898-I902 WeakPolarHBondContact O-CG1 3.5Å; R898-I902 PolarHBondContact O-N 2.95Å; R898-D994 IonicContact CZ-OD2 3.45Å; R898-D994 VanDerWaalsContact CZ-OD2 3.28Å; R898-D994 IonicContact NH1-OD2 2.89Å; R898-D994 PolarHBondContact NH1-OD2 3.49Å; R898-D994 IonicContact NH2-OD1 3.6Å; R898-D994 IonicContact NH2-OD2 3.01Å; R898-D994 PolarHBondContact NH2-OD2 3.39Å; R898-Y996 PolarHBondContact NH1-O 3.17Å; R898-A997 PolarHBondContact NH1-O 3.23Å; R898-I999 VanDerWaalsContact CD-O 3.22Å; R898-I999 WeakPolarHBondContact CD-O 3.29Å; R898-I999 PolarHBondContact NH1-O 3.26Å; R898-T1000 WeakPolarHBondContact CD-O 3.47Å |
| 899 | M | 89.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 12 Ų | 12 | 5% | 0.054 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | -179.8 | -71.2 | 179.9 | 72.7 | 0 | 0 | 111.7 | L834 T895 E896 S901 I902 G903 L995 | L834-M899 HydrophobicContact CD1-CB 4.13Å; L834-M899 HydrophobicContact CD1-CE 4.23Å; T895-M899 HydrophobicContact CG2-CG 4.19Å; T895-M899 HydrophobicContact CG2-SD 3.74Å; T895-M899 WeakPolarHBondContact O-CB 3.17Å; T895-M899 WeakPolarHBondContact O-CG 3.35Å; T895-M899 PolarHBondContact O-N 2.93Å; E896-M899 PolarHBondContact O-N 2.93Å; M899-S901 VanDerWaalsContact C-N 3.33Å; M899-S901 PolarHBondContact O-N 3.37Å; M899-I902 PolarHBondContact O-N 3.42Å; M899-G903 PolarHBondContact O-N 3.22Å; M899-L995 HydrophobicContact CE-CB 4.49Å; M899-L995 HydrophobicContact CE-CD1 3.92Å; M899-L995 HydrophobicContact CE-CG 4.37Å |
| 900 | N | 92.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.1 | -71.3 | -27.2 | 0 | 0 | 0 | 111.4 | S827 H831 I868 E896 G903 L904 | S827-N900 PolarHBondContact OG-OD1 3.49Å; S827-N900 VanDerWaalsContact OG-OD1 3.07Å; H831-N900 PolarHBondContact CE1-OD1 2.91Å; H831-N900 PolarHBondContact ND1-OD1 3.22Å; I868-N900 PolarHBondContact O-ND2 3.03Å; E896-N900 WeakPolarHBondContact O-CB 3.18Å; E896-N900 PolarHBondContact O-N 3.4Å; E896-N900 PolarHBondContact O-ND2 3.47Å; N900-G903 PolarHBondContact O-N 2.95Å; N900-L904 WeakPolarHBondContact O-CG 3.48Å; N900-L904 PolarHBondContact O-N 3.17Å; N900-L904 VanDerWaalsContact O-N 3.08Å |
| 901 | S | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.8 | -53.2 | 176.1 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | I869 W897 R898 M899 G903 L904 I905 L936 | I869-S901 WeakPolarHBondContact CG2-OG 3.48Å; W897-S901 VanDerWaalsContact O-CB 3.24Å; W897-S901 WeakPolarHBondContact O-CB 3.34Å; W897-S901 PolarHBondContact O-N 3.37Å; W897-S901 PolarHBondContact O-OG 2.93Å; R898-S901 PolarHBondContact O-N 3.28Å; M899-S901 VanDerWaalsContact C-N 3.33Å; M899-S901 PolarHBondContact O-N 3.37Å; S901-G903 VanDerWaalsContact C-N 3.31Å; S901-G903 PolarHBondContact O-N 3.45Å; S901-L904 PolarHBondContact O-N 3.15Å; S901-I905 WeakPolarHBondContact O-CB 3.49Å; S901-I905 WeakPolarHBondContact O-CD1 3.47Å; S901-I905 WeakPolarHBondContact O-CG1 3.44Å; S901-I905 PolarHBondContact O-N 3.07Å; S901-L936 WeakPolarHBondContact OG-CD2 3.45Å |
| 902 | I | 94.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | -178.4 | -64.8 | 165.1 | 0 | 0 | 0 | 110.4 | L834 R898 M899 L904 I905 R906 Y996 I999 P1002 Y1005 | L834-I902 HydrophobicContact CD2-CB 4.08Å; L834-I902 HydrophobicContact CD2-CG2 3.6Å; R898-I902 HydrophobicContact CG-CD1 3.68Å; R898-I902 HydrophobicContact CG-CG1 4.45Å; R898-I902 WeakPolarHBondContact O-CG1 3.5Å; R898-I902 PolarHBondContact O-N 2.95Å; M899-I902 PolarHBondContact O-N 3.42Å; I902-L904 PolarHBondContact O-N 3.22Å; I902-I905 PolarHBondContact O-N 3.46Å; I902-R906 HydrophobicContact CG2-CG 4.37Å; I902-R906 WeakPolarHBondContact O-CB 3.49Å; I902-R906 WeakPolarHBondContact O-CG 3.48Å; I902-R906 PolarHBondContact O-N 2.94Å; I902-Y996 HydrophobicContact CG2-CG 4.3Å; I902-I999 HydrophobicContact CD1-CB 3.76Å; I902-I999 HydrophobicContact CD1-CD1 4.16Å; I902-I999 HydrophobicContact CD1-CG2 3.71Å; I902-I999 HydrophobicContact CG1-CD1 4.45Å; I902-I999 HydrophobicContact CG1-CG2 4.08Å; I902-I999 HydrophobicContact CG2-CD1 4.11Å; I902-P1002 HydrophobicContact CG1-CB 4.4Å; I902-Y1005 HydrophobicContact CG1-CD1 4.25Å; I902-Y1005 HydrophobicContact CG2-CD1 4.25Å; I902-Y1005 HydrophobicContact CG2-CE1 3.82Å |
| 903 | G | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A830 V833 M899 N900 S901 F907 | A830-G903 WeakPolarHBondContact O-CA 3.45Å; V833-G903 VanDerWaalsContact CG1-O 3.29Å; V833-G903 WeakPolarHBondContact CG1-O 3.38Å; M899-G903 PolarHBondContact O-N 3.22Å; N900-G903 PolarHBondContact O-N 2.95Å; S901-G903 VanDerWaalsContact C-N 3.31Å; S901-G903 PolarHBondContact O-N 3.45Å; G903-F907 PolarHBondContact O-N 3.48Å |
| 904 | L | 96.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.6 | -36.1 | 177.5 | -66.4 | 179 | 0 | 0 | 0 | 113.2 | A830 L861 A865 I868 I869 N900 S901 I902 F907 I908 I932 | A830-L904 HydrophobicContact CB-CD2 4.18Å; A830-L904 HydrophobicContact CB-CG 4.13Å; L861-L904 HydrophobicContact CD1-CD2 3.7Å; L861-L904 HydrophobicContact CD2-CD2 4.07Å; L861-L904 HydrophobicContact CG-CD2 4.04Å; A865-L904 HydrophobicContact CB-CD1 3.86Å; I868-L904 HydrophobicContact CD1-CD1 4.04Å; I868-L904 HydrophobicContact CG1-CD1 4.28Å; I869-L904 HydrophobicContact CD1-CD1 3.77Å; I869-L904 HydrophobicContact CG1-CD1 3.96Å; N900-L904 WeakPolarHBondContact O-CG 3.48Å; N900-L904 PolarHBondContact O-N 3.17Å; N900-L904 VanDerWaalsContact O-N 3.08Å; S901-L904 PolarHBondContact O-N 3.15Å; I902-L904 PolarHBondContact O-N 3.22Å; L904-F907 VanDerWaalsContact O-CB 3.31Å; L904-F907 WeakPolarHBondContact O-CB 3.42Å; L904-F907 PolarHBondContact O-N 3.2Å; L904-I908 PolarHBondContact O-N 3.46Å; L904-I908 VanDerWaalsContact O-N 3.14Å; L904-I932 HydrophobicContact CB-CD1 3.8Å; L904-I932 HydrophobicContact CB-CG1 3.85Å; L904-I932 HydrophobicContact CD1-CG1 4.27Å |
| 905 | I | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 174.5 | -67.1 | 161.1 | 0 | 0 | 0 | 110.1 | S901 I902 F907 I908 G909 I932 P1002 Y1005 L1006 T1009 | S901-I905 WeakPolarHBondContact O-CB 3.49Å; S901-I905 WeakPolarHBondContact O-CD1 3.47Å; S901-I905 WeakPolarHBondContact O-CG1 3.44Å; S901-I905 PolarHBondContact O-N 3.07Å; I902-I905 PolarHBondContact O-N 3.46Å; I905-F907 VanDerWaalsContact C-N 3.28Å; I905-F907 PolarHBondContact O-N 3.23Å; I905-I908 WeakPolarHBondContact O-CG1 3.43Å; I905-I908 PolarHBondContact O-N 3.08Å; I905-G909 PolarHBondContact O-N 2.6Å; I905-I932 HydrophobicContact CG1-CG2 4.01Å; I905-P1002 HydrophobicContact CD1-CB 4.31Å; I905-P1002 VanDerWaalsContact CD1-O 3.29Å; I905-P1002 WeakPolarHBondContact CD1-O 3.49Å; I905-Y1005 HydrophobicContact CB-CD1 4.01Å; I905-Y1005 HydrophobicContact CB-CE1 4.06Å; I905-Y1005 HydrophobicContact CD1-CD1 4.01Å; I905-Y1005 HydrophobicContact CG2-CD1 3.57Å; I905-Y1005 HydrophobicContact CG2-CE1 3.61Å; I905-L1006 HydrophobicContact CD1-CB 3.79Å; I905-L1006 HydrophobicContact CG1-CB 4.09Å; I905-L1006 HydrophobicContact CG1-CD1 4.1Å; I905-L1006 HydrophobicContact CG2-CB 4.48Å; I905-L1006 HydrophobicContact CG2-CD1 4.29Å; I905-T1009 HydrophobicContact CG2-CG2 4.08Å; I905-T1009 WeakPolarHBondContact CG2-OG1 3.23Å |
| 906 | R | 94.8 | Very high | 91.3 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 10% | 0.098 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 173.2 | -73.7 | -172.3 | 66.6 | -144.1 | -13.5 | 111.7 | V833 L834 I902 I908 G909 E910 Y996 Y1005 | V833-R906 HydrophobicContact CG1-CB 4Å; V833-R906 PolarHBondContact O-NH1 2.98Å; L834-R906 PolarHBondContact O-NH1 3.17Å; I902-R906 HydrophobicContact CG2-CG 4.37Å; I902-R906 WeakPolarHBondContact O-CB 3.49Å; I902-R906 WeakPolarHBondContact O-CG 3.48Å; I902-R906 PolarHBondContact O-N 2.94Å; R906-I908 PolarHBondContact O-N 3.16Å; R906-G909 PolarHBondContact O-N 2.94Å; R906-E910 WeakPolarHBondContact CG-OE1 3.14Å; R906-E910 IonicContact CZ-OE1 3.81Å; R906-E910 IonicContact CZ-OE2 3.38Å; R906-E910 IonicContact NE-OE1 3.15Å; R906-E910 PolarHBondContact NE-OE1 2.95Å; R906-E910 IonicContact NE-OE2 2.7Å; R906-E910 PolarHBondContact NE-OE2 3.31Å; R906-E910 IonicContact NH2-OE1 3.9Å; R906-E910 IonicContact NH2-OE2 3.19Å; R906-E910 PolarHBondContact NH2-OE2 3.5Å; R906-E910 VanDerWaalsContact O-CB 3.29Å; R906-E910 WeakPolarHBondContact O-CB 3.25Å; R906-E910 PolarHBondContact O-N 3.29Å; R906-Y996 PolarHBondContact NH1-OH 3.43Å; R906-Y1005 HydrophobicContact CG-CE1 4.03Å; R906-Y1005 VanDerWaalsContact CG-OH 3.26Å; R906-Y1005 WeakPolarHBondContact CG-OH 3.35Å |
| 907 | F | 95 | Very high | 91.3 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -48.7 | 176.8 | -159.3 | -97.9 | 0 | 0 | 0 | 112.3 | V833 P838 L841 I842 F853 L857 L861 G903 L904 I905 G909 A911 L914 L928 | V833-F907 HydrophobicContact CB-CD2 4.43Å; V833-F907 HydrophobicContact CG1-CB 4.26Å; V833-F907 HydrophobicContact CG1-CD2 4.18Å; V833-F907 HydrophobicContact CG2-CD2 3.4Å; V833-F907 HydrophobicContact CG2-CE2 4Å; V833-F907 HydrophobicContact CG2-CG 4.42Å; P838-F907 HydrophobicContact CB-CD2 3.47Å; P838-F907 VanDerWaalsContact CB-CD2 3.47Å; P838-F907 HydrophobicContact CB-CE2 3.61Å; P838-F907 HydrophobicContact CB-CG 4.32Å; L841-F907 HydrophobicContact CD2-CE2 4.43Å; I842-F907 HydrophobicContact CD1-CZ 4.1Å; I842-F907 HydrophobicContact CG1-CZ 4.26Å; F853-F907 HydrophobicContact CD1-CZ 4.4Å; F853-F907 HydrophobicContact CE1-CE1 4.05Å; F853-F907 HydrophobicContact CE1-CE2 4.11Å; F853-F907 AromaticContact CE1-CZ 3.31Å; F853-F907 HydrophobicContact CE1-CZ 3.31Å; F853-F907 HydrophobicContact CZ-CE1 4.48Å; F853-F907 AromaticContact CZ-CE2 3.91Å; F853-F907 HydrophobicContact CZ-CE2 3.91Å; F853-F907 AromaticContact CZ-CZ 3.56Å; F853-F907 HydrophobicContact CZ-CZ 3.56Å; L857-F907 HydrophobicContact CD1-CE1 4.18Å; L861-F907 HydrophobicContact CD2-CD1 4.34Å; L861-F907 HydrophobicContact CD2-CE1 4.41Å; G903-F907 PolarHBondContact O-N 3.48Å; L904-F907 VanDerWaalsContact O-CB 3.31Å; L904-F907 WeakPolarHBondContact O-CB 3.42Å; L904-F907 PolarHBondContact O-N 3.2Å; I905-F907 VanDerWaalsContact C-N 3.28Å; I905-F907 PolarHBondContact O-N 3.23Å; F907-G909 VanDerWaalsContact C-N 3.33Å; F907-A911 WeakPolarHBondContact O-CB 3.37Å; F907-A911 PolarHBondContact O-N 2.91Å; F907-L914 HydrophobicContact CD1-CD1 3.48Å; F907-L914 VanDerWaalsContact CD1-CD1 3.48Å; F907-L914 HydrophobicContact CE1-CD1 3.31Å; F907-L914 HydrophobicContact CE1-CG 4.47Å; F907-L914 HydrophobicContact CZ-CD1 4.3Å; F907-L928 HydrophobicContact CD1-CD2 3.76Å; F907-L928 HydrophobicContact CE1-CD2 4.45Å |
| 908 | I | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.8 | -23.3 | 178.8 | 62 | 164.6 | 0 | 0 | 0 | 113.3 | L904 I905 R906 W925 L928 L929 I932 L1006 | L904-I908 PolarHBondContact O-N 3.46Å; L904-I908 VanDerWaalsContact O-N 3.14Å; I905-I908 WeakPolarHBondContact O-CG1 3.43Å; I905-I908 PolarHBondContact O-N 3.08Å; R906-I908 PolarHBondContact O-N 3.16Å; I908-W925 PolarHBondContact O-NE1 3.49Å; I908-L928 HydrophobicContact CG2-CB 4.29Å; I908-L928 HydrophobicContact CG2-CD2 3.62Å; I908-L928 HydrophobicContact CG2-CG 3.85Å; I908-L929 HydrophobicContact CD1-CB 4.43Å; I908-L929 HydrophobicContact CD1-CD1 3.65Å; I908-I932 HydrophobicContact CD1-CD1 3.85Å; I908-I932 HydrophobicContact CG1-CD1 4.13Å; I908-I932 HydrophobicContact CG2-CD1 3.88Å; I908-L1006 HydrophobicContact CD1-CD1 3.98Å |
| 909 | G | 92.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 30 Ų | 30 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -85.3 | -31.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I905 R906 F907 | I905-G909 PolarHBondContact O-N 2.6Å; R906-G909 PolarHBondContact O-N 2.94Å; F907-G909 VanDerWaalsContact C-N 3.33Å |
| 910 | E | 93.5 | Very high | 90.5 | Very high | 73 Ų | 73 | 33.7 Ų | 33.7 | 34% | 0.341 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -118.9 | -20.2 | -167 | -60.8 | 171.5 | -162.4 | 0 | 0 | 113.6 | P838 R906 Q912 | P838-E910 HydrophobicContact CG-CB 3.75Å; R906-E910 WeakPolarHBondContact CG-OE1 3.14Å; R906-E910 IonicContact CZ-OE1 3.81Å; R906-E910 IonicContact CZ-OE2 3.38Å; R906-E910 IonicContact NE-OE1 3.15Å; R906-E910 PolarHBondContact NE-OE1 2.95Å; R906-E910 IonicContact NE-OE2 2.7Å; R906-E910 PolarHBondContact NE-OE2 3.31Å; R906-E910 IonicContact NH2-OE1 3.9Å; R906-E910 IonicContact NH2-OE2 3.19Å; R906-E910 PolarHBondContact NH2-OE2 3.5Å; R906-E910 VanDerWaalsContact O-CB 3.29Å; R906-E910 WeakPolarHBondContact O-CB 3.25Å; R906-E910 PolarHBondContact O-N 3.29Å; E910-Q912 PolarHBondContact O-N 3.26Å |
| 911 | A | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -69.5 | 104.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P838 I842 F907 A913 L914 L915 | P838-A911 HydrophobicContact CB-CB 3.8Å; P838-A911 HydrophobicContact CG-CB 3.99Å; I842-A911 HydrophobicContact CD1-CB 4.3Å; F907-A911 WeakPolarHBondContact O-CB 3.37Å; F907-A911 PolarHBondContact O-N 2.91Å; A911-A913 PolarHBondContact O-N 3.3Å; A911-L914 HydrophobicContact CB-CB 4.07Å; A911-L914 HydrophobicContact CB-CD1 3.74Å; A911-L914 HydrophobicContact CB-CG 4.21Å; A911-L914 WeakPolarHBondContact O-CB 3.38Å; A911-L914 PolarHBondContact O-N 3.07Å; A911-L915 PolarHBondContact O-N 3.46Å | ||
| 912 | Q | 91 | Very high | 90.1 | Very high | 135 Ų | 135 | 36.1 Ų | 36.1 | 63% | 0.631 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -58.6 | -36.9 | -179.4 | -67.7 | -175.8 | -3.9 | 0 | 0 | 111.8 | D839 E910 L914 L915 T916 | D839-Q912 PolarHBondContact OD1-N 2.65Å; D839-Q912 WeakPolarHBondContact OD2-CG 3.4Å; E910-Q912 PolarHBondContact O-N 3.26Å; Q912-L914 PolarHBondContact O-N 3.35Å; Q912-L915 PolarHBondContact O-N 3.4Å; Q912-L915 VanDerWaalsContact O-N 3.16Å; Q912-T916 WeakPolarHBondContact O-CB 3.18Å; Q912-T916 PolarHBondContact O-N 3.43Å; Q912-T916 PolarHBondContact O-OG1 2.88Å |
| 913 | A | 88.3 | Confident | 89.8 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -33.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I842 A911 S919 Y921 | I842-A913 HydrophobicContact CD1-CB 3.89Å; A911-A913 PolarHBondContact O-N 3.3Å; A913-S919 WeakPolarHBondContact O-CB 3.24Å; A913-S919 PolarHBondContact O-OG 3.4Å; A913-Y921 HydrophobicContact CB-CD2 3.8Å; A913-Y921 HydrophobicContact CB-CE2 4.43Å; A913-Y921 HydrophobicContact CB-CG 4.15Å |
| 914 | L | 88.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -81.4 | -25.7 | 178.3 | -84.5 | 164.7 | 0 | 0 | 0 | 113.5 | L857 F907 A911 Q912 Y921 R922 W925 | L857-L914 HydrophobicContact CD2-CD2 4.17Å; F907-L914 HydrophobicContact CD1-CD1 3.48Å; F907-L914 VanDerWaalsContact CD1-CD1 3.48Å; F907-L914 HydrophobicContact CE1-CD1 3.31Å; F907-L914 HydrophobicContact CE1-CG 4.47Å; F907-L914 HydrophobicContact CZ-CD1 4.3Å; A911-L914 HydrophobicContact CB-CB 4.07Å; A911-L914 HydrophobicContact CB-CD1 3.74Å; A911-L914 HydrophobicContact CB-CG 4.21Å; A911-L914 WeakPolarHBondContact O-CB 3.38Å; A911-L914 PolarHBondContact O-N 3.07Å; Q912-L914 PolarHBondContact O-N 3.35Å; L914-Y921 WeakPolarHBondContact CD2-O 3.36Å; L914-R922 WeakPolarHBondContact O-CD 3.4Å; L914-R922 PolarHBondContact O-NH1 3.42Å; L914-W925 HydrophobicContact CD2-CB 3.88Å |
| 915 | L | 86.2 | Confident | 89.6 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 32% | 0.319 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -93 | -18.1 | -176 | -62.3 | 174.7 | 0 | 0 | 0 | 113 | A911 Q912 L1013 | A911-L915 PolarHBondContact O-N 3.46Å; Q912-L915 PolarHBondContact O-N 3.4Å; Q912-L915 VanDerWaalsContact O-N 3.16Å; L915-L1013 HydrophobicContact CD1-CD2 3.73Å; L915-L1013 HydrophobicContact CD2-CD1 4.36Å; L915-L1013 HydrophobicContact CD2-CD2 3.84Å; L915-L1013 HydrophobicContact CG-CD2 4.46Å |
| 916 | T | 86 | Confident | 89.4 | Confident | 78 Ų | 78 | 46.9 Ų | 46.9 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -79.9 | 124.7 | -178.5 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | Q912 S919 | Q912-T916 WeakPolarHBondContact O-CB 3.18Å; Q912-T916 PolarHBondContact O-N 3.43Å; Q912-T916 PolarHBondContact O-OG1 2.88Å; T916-S919 WeakPolarHBondContact O-CB 3.39Å; T916-S919 PolarHBondContact O-N 3.37Å |
| 917 | D | 80.1 | Confident | 89.4 | Confident | 92 Ų | 92 | 48 Ų | 48 | 49% | 0.492 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 136 | 175.6 | -65.9 | -34.8 | 0 | 0 | 0 | 110.8 | S919 R922 K1020 | D917-S919 VanDerWaalsContact C-N 3.28Å; D917-S919 PolarHBondContact O-N 2.81Å; D917-R922 IonicContact OD1-NE 3.39Å; D917-K1020 IonicContact OD2-NZ 3.33Å; D917-K1020 PolarHBondContact OD2-NZ 3.46Å |
| 918 | G | 80.4 | Confident | 89.4 | Confident | 83 Ų | 83 | 48 Ų | 48 | 86% | 0.856 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -3.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 919 | S | 84.8 | Confident | 89.4 | Confident | 27 Ų | 27 | 48 Ų | 48 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | trans | -66.8 | 142.6 | 171.1 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | A913 T916 D917 Y921 R922 | A913-S919 WeakPolarHBondContact O-CB 3.24Å; A913-S919 PolarHBondContact O-OG 3.4Å; T916-S919 WeakPolarHBondContact O-CB 3.39Å; T916-S919 PolarHBondContact O-N 3.37Å; D917-S919 VanDerWaalsContact C-N 3.28Å; D917-S919 PolarHBondContact O-N 2.81Å; S919-Y921 PolarHBondContact O-N 3.19Å; S919-Y921 VanDerWaalsContact O-N 3.11Å; S919-Y921 PolarHBondContact OG-N 3.21Å; S919-R922 VanDerWaalsContact O-CB 3.28Å; S919-R922 WeakPolarHBondContact O-CB 3.45Å; S919-R922 PolarHBondContact O-N 3.27Å | ||
| 920 | T | 84.4 | Confident | 89.5 | Confident | 89 Ų | 89 | 48.8 Ų | 48.8 | 55% | 0.546 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.4 | 172.8 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | N851 | N851-T920 PolarHBondContact OD1-OG1 3.41Š|
| 921 | Y | 89.8 | Confident | 89.6 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -18.2 | 179.4 | -63.6 | -84.6 | 0 | 0 | 0 | 113.2 | I842 D846 F853 A854 L857 A913 L914 S919 E923 S924 | I842-Y921 HydrophobicContact CG2-CE2 4.37Å; D846-Y921 VanDerWaalsContact CG-OH 3.23Å; D846-Y921 PolarHBondContact OD1-OH 3.12Å; D846-Y921 PolarHBondContact OD2-OH 3.01Å; F853-Y921 HydrophobicContact CB-CE1 4.11Å; F853-Y921 AromaticContact CD1-CE1 3.93Å; F853-Y921 HydrophobicContact CD1-CE1 3.93Å; A854-Y921 VanDerWaalsContact CA-CE1 3.48Å; A854-Y921 HydrophobicContact CB-CD1 4.13Å; A854-Y921 HydrophobicContact CB-CE1 3.62Å; A854-Y921 VanDerWaalsContact N-CE1 3.3Å; A854-Y921 PolarHBondContact N-OH 3.4Å; L857-Y921 HydrophobicContact CD2-CD1 4.14Å; A913-Y921 HydrophobicContact CB-CD2 3.8Å; A913-Y921 HydrophobicContact CB-CE2 4.43Å; A913-Y921 HydrophobicContact CB-CG 4.15Å; L914-Y921 WeakPolarHBondContact CD2-O 3.36Å; S919-Y921 PolarHBondContact O-N 3.19Å; S919-Y921 VanDerWaalsContact O-N 3.11Å; S919-Y921 PolarHBondContact OG-N 3.21Å; Y921-E923 VanDerWaalsContact C-N 3.29Å; Y921-E923 PolarHBondContact O-N 3.41Å; Y921-S924 WeakPolarHBondContact O-CB 3.36Å; Y921-S924 PolarHBondContact O-N 2.84Å |
| 922 | R | 88.6 | Confident | 89.7 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -57.3 | -39.4 | -167.8 | -177 | 56.8 | 174.6 | 136.2 | -3.3 | 113.4 | L914 D917 S919 S924 W925 | L914-R922 WeakPolarHBondContact O-CD 3.4Å; L914-R922 PolarHBondContact O-NH1 3.42Å; D917-R922 IonicContact OD1-NE 3.39Å; S919-R922 VanDerWaalsContact O-CB 3.28Å; S919-R922 WeakPolarHBondContact O-CB 3.45Å; S919-R922 PolarHBondContact O-N 3.27Å; R922-S924 PolarHBondContact O-N 3.41Å; R922-W925 WeakPolarHBondContact O-CB 3.22Å; R922-W925 PolarHBondContact O-N 3.21Å |
| 923 | E | 88.5 | Confident | 89.8 | Confident | 174 Ų | 174 | 42 Ų | 42 | 81% | 0.813 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -65.9 | -20.5 | -179.5 | -62.7 | -175.3 | 168.5 | 0 | 0 | 113.2 | Y921 P927 | Y921-E923 VanDerWaalsContact C-N 3.29Å; Y921-E923 PolarHBondContact O-N 3.41Å; E923-P927 WeakPolarHBondContact O-CD 3.38Å |
| 924 | S | 91.9 | Very high | 90 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -84.9 | -12.2 | 179.6 | -66.4 | 0 | 0 | 0 | 0 | 113.9 | Y921 R922 L928 | Y921-S924 WeakPolarHBondContact O-CB 3.36Å; Y921-S924 PolarHBondContact O-N 2.84Å; R922-S924 PolarHBondContact O-N 3.41Å; S924-L928 WeakPolarHBondContact O-CB 3.28Å; S924-L928 PolarHBondContact O-N 3.5Å |
| 925 | W | 93.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | -176.7 | -173.6 | 88.9 | 0 | 0 | 0 | 112.3 | I908 L914 R922 L928 L929 L1010 L1013 L1021 L1024 | I908-W925 PolarHBondContact O-NE1 3.49Å; L914-W925 HydrophobicContact CD2-CB 3.88Å; R922-W925 WeakPolarHBondContact O-CB 3.22Å; R922-W925 PolarHBondContact O-N 3.21Å; W925-L928 PolarHBondContact O-N 3.08Å; W925-L929 HydrophobicContact CH2-CD2 3.54Å; W925-L929 HydrophobicContact CZ2-CD2 4.44Å; W925-L929 HydrophobicContact CZ3-CB 4.49Å; W925-L929 HydrophobicContact CZ3-CD2 3.65Å; W925-L929 PolarHBondContact O-N 3.08Å; W925-L1010 HydrophobicContact CH2-CD2 4.06Å; W925-L1010 HydrophobicContact CZ2-CD2 4.16Å; W925-L1013 HydrophobicContact CZ2-CD1 3.99Å; W925-L1021 HydrophobicContact CH2-CD1 3.32Å; W925-L1021 HydrophobicContact CZ2-CD1 4.12Å; W925-L1021 HydrophobicContact CZ3-CD1 3.88Å; W925-L1024 HydrophobicContact CE3-CD1 4.5Å; W925-L1024 HydrophobicContact CZ3-CD1 4.47Å |
| 926 | L | 92.4 | Very high | 90.4 | Very high | 31 Ų | 31 | 40.2 Ų | 40.2 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.2 | -46.9 | -177.5 | -176.2 | 69.8 | 0 | 0 | 0 | 113 | L928 L929 M930 S1027 I1028 | L926-L928 VanDerWaalsContact C-N 3.28Å; L926-L928 PolarHBondContact O-N 3Å; L926-L929 PolarHBondContact O-N 2.85Å; L926-M930 WeakPolarHBondContact O-CG 3.35Å; L926-M930 PolarHBondContact O-N 2.72Å; L926-S1027 WeakPolarHBondContact CD2-OG 3.34Å; L926-I1028 HydrophobicContact CD1-CD1 4Å; L926-I1028 HydrophobicContact CD1-CG1 3.76Å; L926-I1028 HydrophobicContact CG-CG1 4.45Å |
| 927 | P | 93.9 | Very high | 90.5 | Very high | 50 Ų | 50 | 37.9 Ų | 37.9 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.1 | -38.8 | 174 | -27 | 35 | 0 | 0 | 0 | 113.5 | I862 E923 K931 | I862-P927 HydrophobicContact CD1-CB 4.17Å; I862-P927 HydrophobicContact CG2-CB 4.07Å; E923-P927 WeakPolarHBondContact O-CD 3.38Å; P927-K931 WeakPolarHBondContact O-CG 3.19Å; P927-K931 PolarHBondContact O-N 3.43Å; P927-K931 VanDerWaalsContact O-N 3.17Å |
| 928 | L | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.1 | -43.3 | 177.4 | -176.6 | 58.4 | 0 | 0 | 0 | 111.7 | L857 L861 I862 A865 F907 I908 S924 W925 L926 M930 K931 I932 | L857-L928 HydrophobicContact CD1-CD2 4.08Å; L861-L928 HydrophobicContact CD2-CD1 4.4Å; L861-L928 HydrophobicContact CD2-CD2 4.13Å; L861-L928 HydrophobicContact CG-CD1 4.27Å; I862-L928 HydrophobicContact CG1-CB 4.12Å; I862-L928 HydrophobicContact CG1-CD1 4.37Å; A865-L928 HydrophobicContact CB-CD1 3.73Å; F907-L928 HydrophobicContact CD1-CD2 3.76Å; F907-L928 HydrophobicContact CE1-CD2 4.45Å; I908-L928 HydrophobicContact CG2-CB 4.29Å; I908-L928 HydrophobicContact CG2-CD2 3.62Å; I908-L928 HydrophobicContact CG2-CG 3.85Å; S924-L928 WeakPolarHBondContact O-CB 3.28Å; S924-L928 PolarHBondContact O-N 3.5Å; W925-L928 PolarHBondContact O-N 3.08Å; L926-L928 VanDerWaalsContact C-N 3.28Å; L926-L928 PolarHBondContact O-N 3Å; L928-M930 VanDerWaalsContact C-N 3.34Å; L928-M930 PolarHBondContact O-N 3Å; L928-K931 PolarHBondContact O-N 3.01Å; L928-I932 HydrophobicContact CG-CD1 4.09Å; L928-I932 WeakPolarHBondContact O-CG1 3.38Å; L928-I932 PolarHBondContact O-N 2.94Å |
| 929 | L | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 174.7 | 173.9 | 64.3 | 0 | 0 | 0 | 111.8 | I908 W925 L926 K931 I932 I933 L1006 L1010 L1025 | I908-L929 HydrophobicContact CD1-CB 4.43Å; I908-L929 HydrophobicContact CD1-CD1 3.65Å; W925-L929 HydrophobicContact CH2-CD2 3.54Å; W925-L929 HydrophobicContact CZ2-CD2 4.44Å; W925-L929 HydrophobicContact CZ3-CB 4.49Å; W925-L929 HydrophobicContact CZ3-CD2 3.65Å; W925-L929 PolarHBondContact O-N 3.08Å; L926-L929 PolarHBondContact O-N 2.85Å; L929-K931 VanDerWaalsContact C-N 3.27Å; L929-K931 PolarHBondContact O-N 3.5Å; L929-I932 PolarHBondContact O-N 3.38Å; L929-I933 HydrophobicContact CD1-CD1 3.95Å; L929-I933 HydrophobicContact CD1-CG1 4.19Å; L929-I933 HydrophobicContact CG-CD1 3.89Å; L929-I933 WeakPolarHBondContact O-CG1 3.33Å; L929-I933 PolarHBondContact O-N 3.09Å; L929-L1006 HydrophobicContact CD1-CD1 3.97Å; L929-L1010 HydrophobicContact CD1-CD1 4.33Å; L929-L1010 HydrophobicContact CD1-CD2 4.22Å; L929-L1010 HydrophobicContact CD2-CD2 4.28Å; L929-L1025 HydrophobicContact CD2-CD2 3.51Å |
| 930 | M | 94.7 | Very high | 89.3 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 16% | 0.163 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57 | -43.2 | 177.4 | -73.8 | 176.5 | 67.3 | 0 | 0 | 111.3 | L926 L928 I933 T934 I1028 E1030 I1033 | L926-M930 WeakPolarHBondContact O-CG 3.35Å; L926-M930 PolarHBondContact O-N 2.72Å; L928-M930 VanDerWaalsContact C-N 3.34Å; L928-M930 PolarHBondContact O-N 3Å; M930-I933 PolarHBondContact O-N 3.33Å; M930-T934 PolarHBondContact O-N 3.08Å; M930-T934 PolarHBondContact O-OG1 3.06Å; M930-T934 VanDerWaalsContact O-OG1 3.07Å; M930-I1028 HydrophobicContact CE-CG2 4.33Å; M930-I1028 HydrophobicContact CG-CD1 4.45Å; M930-I1028 HydrophobicContact CG-CG1 4.4Å; M930-I1028 HydrophobicContact SD-CG1 4.48Å; M930-I1028 HydrophobicContact SD-CG2 4.46Å; M930-E1030 HydrophobicContact CE-CB 4.28Å; M930-E1030 VanDerWaalsContact CE-CD 3.47Å; M930-E1030 HydrophobicContact CE-CG 3.95Å; M930-E1030 WeakPolarHBondContact CE-OE1 3.4Å; M930-I1033 HydrophobicContact CB-CD1 3.76Å; M930-I1033 HydrophobicContact CE-CD1 3.7Å; M930-I1033 HydrophobicContact CG-CD1 3.99Å |
| 931 | K | 95.1 | Very high | 88.2 | Confident | 65 Ų | 65 | 29 Ų | 29 | 28% | 0.283 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.5 | -71 | -77.4 | 177.6 | -178.8 | 0 | 113.1 | I862 A865 D866 P927 L928 L929 I933 T934 G935 | I862-K931 HydrophobicContact CG2-CG 4.39Å; I862-K931 WeakPolarHBondContact O-CG 3.45Å; A865-K931 HydrophobicContact CB-CB 3.8Å; D866-K931 WeakPolarHBondContact CA-O 3.46Å; D866-K931 HydrophobicContact CB-CB 4.44Å; D866-K931 HydrophobicContact CB-CD 3.94Å; D866-K931 WeakPolarHBondContact CB-O 3.47Å; D866-K931 VanDerWaalsContact CG-CD 3.46Å; D866-K931 IonicContact OD1-NZ 3.4Å; D866-K931 WeakPolarHBondContact OD2-CD 3.26Å; D866-K931 IonicContact OD2-NZ 2.82Å; D866-K931 PolarHBondContact OD2-NZ 2.93Å; P927-K931 WeakPolarHBondContact O-CG 3.19Å; P927-K931 PolarHBondContact O-N 3.43Å; P927-K931 VanDerWaalsContact O-N 3.17Å; L928-K931 PolarHBondContact O-N 3.01Å; L929-K931 VanDerWaalsContact C-N 3.27Å; L929-K931 PolarHBondContact O-N 3.5Å; K931-I933 VanDerWaalsContact C-N 3.35Å; K931-T934 PolarHBondContact O-N 3.43Å; K931-G935 PolarHBondContact O-N 3.43Å |
| 932 | I | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 173.5 | -67.3 | 163.3 | 0 | 0 | 0 | 110.4 | I869 L904 I905 I908 L928 L929 T934 G935 L936 L1006 | I869-I932 HydrophobicContact CD1-CB 4.23Å; I869-I932 HydrophobicContact CD1-CG1 4.23Å; I869-I932 HydrophobicContact CD1-CG2 4.15Å; L904-I932 HydrophobicContact CB-CD1 3.8Å; L904-I932 HydrophobicContact CB-CG1 3.85Å; L904-I932 HydrophobicContact CD1-CG1 4.27Å; I905-I932 HydrophobicContact CG1-CG2 4.01Å; I908-I932 HydrophobicContact CD1-CD1 3.85Å; I908-I932 HydrophobicContact CG1-CD1 4.13Å; I908-I932 HydrophobicContact CG2-CD1 3.88Å; L928-I932 HydrophobicContact CG-CD1 4.09Å; L928-I932 WeakPolarHBondContact O-CG1 3.38Å; L928-I932 PolarHBondContact O-N 2.94Å; L929-I932 PolarHBondContact O-N 3.38Å; I932-T934 PolarHBondContact O-N 3.35Å; I932-G935 PolarHBondContact O-N 3.25Å; I932-L936 HydrophobicContact CG2-CD1 3.98Å; I932-L936 HydrophobicContact CG2-CG 4.44Å; I932-L936 WeakPolarHBondContact O-CG 3.39Å; I932-L936 PolarHBondContact O-N 2.95Å; I932-L1006 HydrophobicContact CG2-CD2 4.22Å |
| 933 | I | 94 | Very high | 86.6 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 178.8 | -69.1 | 166.4 | 0 | 0 | 0 | 110.9 | L929 M930 K931 G935 L936 A937 L1006 I1033 Y1036 L1037 | L929-I933 HydrophobicContact CD1-CD1 3.95Å; L929-I933 HydrophobicContact CD1-CG1 4.19Å; L929-I933 HydrophobicContact CG-CD1 3.89Å; L929-I933 WeakPolarHBondContact O-CG1 3.33Å; L929-I933 PolarHBondContact O-N 3.09Å; M930-I933 PolarHBondContact O-N 3.33Å; K931-I933 VanDerWaalsContact C-N 3.35Å; I933-G935 VanDerWaalsContact C-N 3.33Å; I933-G935 PolarHBondContact O-N 3.24Å; I933-L936 PolarHBondContact O-N 2.95Å; I933-A937 WeakPolarHBondContact O-CB 3.45Å; I933-A937 PolarHBondContact O-N 3.46Å; I933-L1006 HydrophobicContact CG1-CD2 4.04Å; I933-I1033 HydrophobicContact CB-CG2 4.19Å; I933-I1033 HydrophobicContact CD1-CG2 3.75Å; I933-I1033 HydrophobicContact CG2-CB 4.43Å; I933-I1033 HydrophobicContact CG2-CG1 4.48Å; I933-I1033 HydrophobicContact CG2-CG2 3.85Å; I933-Y1036 HydrophobicContact CG2-CD1 3.62Å; I933-Y1036 HydrophobicContact CG2-CE1 4.33Å; I933-Y1036 HydrophobicContact CG2-CG 4.37Å; I933-L1037 HydrophobicContact CD1-CB 4.33Å; I933-L1037 HydrophobicContact CD1-CD1 4.16Å; I933-L1037 HydrophobicContact CD1-CD2 4.36Å |
| 934 | T | 92.2 | Very high | 86.2 | Confident | 45 Ų | 45 | 30.4 Ų | 30.4 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | D866 M930 K931 I932 A937 T938 | D866-T934 HydrophobicContact CB-CG2 4.16Å; M930-T934 PolarHBondContact O-N 3.08Å; M930-T934 PolarHBondContact O-OG1 3.06Å; M930-T934 VanDerWaalsContact O-OG1 3.07Å; K931-T934 PolarHBondContact O-N 3.43Å; I932-T934 PolarHBondContact O-N 3.35Å; T934-A937 PolarHBondContact O-N 3.38Å; T934-T938 WeakPolarHBondContact O-CG2 3.45Å; T934-T938 PolarHBondContact O-N 3.16Å; T934-T938 PolarHBondContact O-OG1 3.14Å |
| 935 | G | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D866 I869 K931 I932 I933 A937 T938 G939 | D866-G935 WeakPolarHBondContact O-CA 3.31Å; I869-G935 WeakPolarHBondContact CG2-O 3.49Å; K931-G935 PolarHBondContact O-N 3.43Å; I932-G935 PolarHBondContact O-N 3.25Å; I933-G935 VanDerWaalsContact C-N 3.33Å; I933-G935 PolarHBondContact O-N 3.24Å; G935-A937 PolarHBondContact O-N 2.91Å; G935-T938 PolarHBondContact O-N 2.72Å; G935-T938 PolarHBondContact O-OG1 2.85Å; G935-G939 PolarHBondContact O-N 3.48Å |
| 936 | L | 91.9 | Very high | 85 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 178.2 | -74 | 173.2 | 0 | 0 | 0 | 112.7 | I869 W897 S901 I932 I933 T938 P1002 R1003 L1006 Y1036 | I869-L936 HydrophobicContact CG2-CD2 4.35Å; W897-L936 HydrophobicContact CZ2-CD2 4.2Å; S901-L936 WeakPolarHBondContact OG-CD2 3.45Å; I932-L936 HydrophobicContact CG2-CD1 3.98Å; I932-L936 HydrophobicContact CG2-CG 4.44Å; I932-L936 WeakPolarHBondContact O-CG 3.39Å; I932-L936 PolarHBondContact O-N 2.95Å; I933-L936 PolarHBondContact O-N 2.95Å; L936-T938 PolarHBondContact O-N 3.33Å; L936-P1002 HydrophobicContact CD2-CB 4.03Å; L936-P1002 HydrophobicContact CD2-CG 3.87Å; L936-R1003 HydrophobicContact CB-CG 4.42Å; L936-R1003 HydrophobicContact CD2-CG 4.2Å; L936-L1006 HydrophobicContact CD1-CB 4.28Å; L936-L1006 HydrophobicContact CD1-CD2 3.6Å; L936-Y1036 HydrophobicContact CB-CE1 4.44Å; L936-Y1036 PolarHBondContact O-OH 2.81Å |
| 937 | A | 88.1 | Confident | 84.3 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.1 | -23 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I933 T934 G935 Y1036 | I933-A937 WeakPolarHBondContact O-CB 3.45Å; I933-A937 PolarHBondContact O-N 3.46Å; T934-A937 PolarHBondContact O-N 3.38Å; G935-A937 PolarHBondContact O-N 2.91Å; A937-Y1036 HydrophobicContact CB-CD1 4.27Å; A937-Y1036 HydrophobicContact CB-CD2 3.79Å; A937-Y1036 HydrophobicContact CB-CE1 4.1Å; A937-Y1036 HydrophobicContact CB-CE2 3.63Å; A937-Y1036 HydrophobicContact CB-CG 4.1Å |
| 938 | T | 84.5 | Confident | 83.8 | Confident | 55 Ų | 55 | 35.2 Ų | 35.2 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -107.4 | -24.5 | -175.5 | 54 | 0 | 0 | 0 | 0 | 114.5 | A870 T934 G935 L936 R942 G944 | A870-T938 WeakPolarHBondContact CB-OG1 3.43Å; T934-T938 WeakPolarHBondContact O-CG2 3.45Å; T934-T938 PolarHBondContact O-N 3.16Å; T934-T938 PolarHBondContact O-OG1 3.14Å; G935-T938 PolarHBondContact O-N 2.72Å; G935-T938 PolarHBondContact O-OG1 2.85Å; L936-T938 PolarHBondContact O-N 3.33Å; T938-R942 CarbonylContact O-C 3.14Å; T938-R942 WeakPolarHBondContact O-CA 3.37Å; T938-R942 PolarHBondContact O-N 3.03Å; T938-G944 PolarHBondContact O-N 2.97Å |
| 939 | G | 67.4 | Low | 83.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 123.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | W897 G935 S948 | W897-G939 PolarHBondContact NE1-O 3.32Å; G935-G939 PolarHBondContact O-N 3.48Å; G939-S948 WeakPolarHBondContact O-CB 3.46Å; G939-S948 PolarHBondContact O-OG 3.07Å |
| 940 | P | 67.5 | Low | 82.5 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | -130.9 | 99.9 | 67.8 | 21.6 | 0.2 | 0 | 0 | 0 | 110.9 | P889 V893 A947 S948 A951 | P889-P940 HydrophobicContact CB-CB 4.01Å; P889-P940 HydrophobicContact CB-CG 4.41Å; P889-P940 HydrophobicContact CG-CB 4.27Å; P889-P940 HydrophobicContact CG-CG 4.14Å; V893-P940 HydrophobicContact CG1-CB 4.2Å; P940-A947 HydrophobicContact CG-CB 3.61Å; P940-A947 WeakPolarHBondContact CG-O 3.35Å; P940-S948 VanDerWaalsContact CD-N 3.3Å; P940-A951 HydrophobicContact CB-CB 4.24Å; P940-A951 HydrophobicContact CG-CB 3.9Å | |
| 941 | G | 62.6 | Low | 81.9 | Confident | 42 Ų | 42 | 39.8 Ų | 39.8 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 22.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A870 | A870-G941 VanDerWaalsContact O-CA 3.27Å; A870-G941 WeakPolarHBondContact O-CA 3.36Å; A870-G941 PolarHBondContact O-N 3.32Å |
| 942 | R | 73.1 | Confident | 81.3 | Confident | 186 Ų | 186 | 37.2 Ų | 37.2 | 70% | 0.702 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 75.8 | 19.6 | -172.9 | -51.9 | -175 | 172.4 | -149.5 | -2.6 | 115.7 | T938 G944 | T938-R942 CarbonylContact O-C 3.14Å; T938-R942 WeakPolarHBondContact O-CA 3.37Å; T938-R942 PolarHBondContact O-N 3.03Å; R942-G944 VanDerWaalsContact C-N 3.31Å; R942-G944 PolarHBondContact O-N 3.02Å |
| 943 | G | 70.5 | Confident | 80.7 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 51% | 0.505 | 24% | 0.238 | S | C | . | . | trans | -79 | -4.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 944 | G | 80.4 | Confident | 79.6 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | 69.8 | -167.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T938 R942 V946 A947 S948 | T938-G944 PolarHBondContact O-N 2.97Å; R942-G944 VanDerWaalsContact C-N 3.31Å; R942-G944 PolarHBondContact O-N 3.02Å; G944-V946 VanDerWaalsContact C-N 3.31Å; G944-V946 PolarHBondContact O-N 3.01Å; G944-A947 PolarHBondContact O-N 3.33Å; G944-A947 VanDerWaalsContact O-N 3.11Å; G944-S948 PolarHBondContact O-N 3.39Å; G944-S948 VanDerWaalsContact O-N 3.1Å; G944-S948 PolarHBondContact O-OG 3.11Å; G944-S948 VanDerWaalsContact O-OG 3.11Å |
| 945 | E | 80 | Confident | 78.7 | Confident | 66 Ų | 66 | 37.7 Ų | 37.7 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54.3 | -40.7 | -171.4 | -71 | -162 | 177.5 | 0 | 0 | 113.9 | A947 S948 D949 Y1036 R1043 | E945-A947 VanDerWaalsContact C-N 3.31Å; E945-A947 PolarHBondContact O-N 3.49Å; E945-S948 WeakPolarHBondContact O-CA 3.3Å; E945-S948 WeakPolarHBondContact O-CB 3.34Å; E945-S948 PolarHBondContact O-N 2.99Å; E945-S948 VanDerWaalsContact O-N 3.08Å; E945-D949 PolarHBondContact O-N 3.48Å; E945-Y1036 HydrophobicContact CG-CE2 4.43Å; E945-Y1036 WeakPolarHBondContact OE1-CE2 3.47Å; E945-R1043 IonicContact OE1-NH1 3.63Å; E945-R1043 IonicContact OE2-CZ 2.69Å; E945-R1043 IonicContact OE2-NH1 3.65Å; E945-R1043 PolarHBondContact OE2-NH1 2.71Å; E945-R1043 IonicContact OE2-NH2 3.67Å; E945-R1043 PolarHBondContact OE2-NH2 3.21Å |
| 946 | V | 79.8 | Confident | 77.8 | Confident | 122 Ų | 122 | 42.4 Ų | 42.4 | 74% | 0.739 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | -178.7 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | G944 S948 L950 | G944-V946 VanDerWaalsContact C-N 3.31Å; G944-V946 PolarHBondContact O-N 3.01Å; V946-S948 VanDerWaalsContact C-N 3.34Å; V946-L950 WeakPolarHBondContact O-CB 3.34Å; V946-L950 PolarHBondContact O-N 2.94Å; V946-L950 VanDerWaalsContact O-N 3.1Å |
| 947 | A | 79.2 | Confident | 76.5 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.8 | -34.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P940 G944 E945 L950 A951 | P940-A947 HydrophobicContact CG-CB 3.61Å; P940-A947 WeakPolarHBondContact CG-O 3.35Å; G944-A947 PolarHBondContact O-N 3.33Å; G944-A947 VanDerWaalsContact O-N 3.11Å; E945-A947 VanDerWaalsContact C-N 3.31Å; E945-A947 PolarHBondContact O-N 3.49Å; A947-L950 WeakPolarHBondContact O-CB 3.49Å; A947-L950 PolarHBondContact O-N 3.37Å; A947-A951 PolarHBondContact O-N 3.15Å |
| 948 | S | 82.9 | Confident | 75 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.2 | -46.9 | 0 | 0 | 0 | 0 | 111.4 | G939 P940 G944 E945 V946 L950 A951 V952 | G939-S948 WeakPolarHBondContact O-CB 3.46Å; G939-S948 PolarHBondContact O-OG 3.07Å; P940-S948 VanDerWaalsContact CD-N 3.3Å; G944-S948 PolarHBondContact O-N 3.39Å; G944-S948 VanDerWaalsContact O-N 3.1Å; G944-S948 PolarHBondContact O-OG 3.11Å; G944-S948 VanDerWaalsContact O-OG 3.11Å; E945-S948 WeakPolarHBondContact O-CA 3.3Å; E945-S948 WeakPolarHBondContact O-CB 3.34Å; E945-S948 PolarHBondContact O-N 2.99Å; E945-S948 VanDerWaalsContact O-N 3.08Å; V946-S948 VanDerWaalsContact C-N 3.34Å; S948-L950 VanDerWaalsContact C-N 3.31Å; S948-L950 PolarHBondContact O-N 3.05Å; S948-A951 WeakPolarHBondContact O-CB 3.41Å; S948-A951 PolarHBondContact O-N 2.69Å; S948-A951 VanDerWaalsContact O-N 3.15Å; S948-V952 WeakPolarHBondContact O-CG2 3.5Å; S948-V952 PolarHBondContact O-N 3.03Å |
| 949 | D | 84.6 | Confident | 73 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 177.6 | -68.8 | -20.8 | 0 | 0 | 0 | 111.3 | E945 V952 S953 R1003 | E945-D949 PolarHBondContact O-N 3.48Å; D949-V952 PolarHBondContact O-N 3.44Å; D949-S953 PolarHBondContact O-N 3.16Å; D949-R1003 IonicContact OD1-CZ 3.93Å; D949-R1003 VanDerWaalsContact OD1-CZ 3.24Å; D949-R1003 IonicContact OD1-NH1 3.68Å; D949-R1003 PolarHBondContact OD1-NH1 2.72Å; D949-R1003 IonicContact OD1-NH2 3.25Å; D949-R1003 PolarHBondContact OD1-NH2 3.43Å |
| 950 | L | 78.8 | Confident | 71.4 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 29% | 0.293 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 172.4 | 179.5 | 62.7 | 0 | 0 | 0 | 111.5 | L888 P889 V946 A947 S948 V952 S953 I954 | L888-L950 HydrophobicContact CB-CD2 4.07Å; L888-L950 HydrophobicContact CD2-CD1 4Å; L888-L950 HydrophobicContact CD2-CD2 3.62Å; L888-L950 HydrophobicContact CD2-CG 4.28Å; L888-L950 HydrophobicContact CG-CD2 3.61Å; P889-L950 HydrophobicContact CG-CD2 4.37Å; V946-L950 WeakPolarHBondContact O-CB 3.34Å; V946-L950 PolarHBondContact O-N 2.94Å; V946-L950 VanDerWaalsContact O-N 3.1Å; A947-L950 WeakPolarHBondContact O-CB 3.49Å; A947-L950 PolarHBondContact O-N 3.37Å; S948-L950 VanDerWaalsContact C-N 3.31Å; S948-L950 PolarHBondContact O-N 3.05Å; L950-V952 VanDerWaalsContact C-N 3.34Å; L950-V952 PolarHBondContact O-N 3.35Å; L950-S953 WeakPolarHBondContact O-CB 3.46Å; L950-S953 PolarHBondContact O-N 3.43Å; L950-S953 VanDerWaalsContact O-N 3.17Å; L950-S953 PolarHBondContact O-OG 2.88Å; L950-I954 HydrophobicContact CD1-CD1 4.45Å; L950-I954 HydrophobicContact CG-CD1 4.12Å; L950-I954 WeakPolarHBondContact O-CG1 3.36Å; L950-I954 PolarHBondContact O-N 2.75Å |
| 951 | A | 80.5 | Confident | 69.8 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C894 W897 P940 A947 S948 I954 A955 | C894-A951 HydrophobicContact CB-CB 3.97Å; C894-A951 WeakPolarHBondContact SG-CB 3.33Å; W897-A951 HydrophobicContact CE3-CB 4.18Å; W897-A951 HydrophobicContact CZ3-CB 4.08Å; P940-A951 HydrophobicContact CB-CB 4.24Å; P940-A951 HydrophobicContact CG-CB 3.9Å; A947-A951 PolarHBondContact O-N 3.15Å; S948-A951 WeakPolarHBondContact O-CB 3.41Å; S948-A951 PolarHBondContact O-N 2.69Å; S948-A951 VanDerWaalsContact O-N 3.15Å; A951-I954 PolarHBondContact O-N 3.34Å; A951-A955 PolarHBondContact O-N 2.87Å |
| 952 | V | 83.7 | Confident | 68.7 | Low | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 173.3 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | W897 S948 D949 L950 I954 A955 M956 D1001 | W897-V952 HydrophobicContact CH2-CG2 3.83Å; W897-V952 HydrophobicContact CZ3-CG2 4.03Å; S948-V952 WeakPolarHBondContact O-CG2 3.5Å; S948-V952 PolarHBondContact O-N 3.03Å; D949-V952 PolarHBondContact O-N 3.44Å; L950-V952 VanDerWaalsContact C-N 3.34Å; L950-V952 PolarHBondContact O-N 3.35Å; V952-I954 VanDerWaalsContact C-N 3.31Å; V952-I954 PolarHBondContact O-N 3.25Å; V952-A955 PolarHBondContact O-N 3.14Å; V952-M956 HydrophobicContact CG1-CE 3.75Å; V952-M956 HydrophobicContact CG1-SD 4.24Å; V952-M956 WeakPolarHBondContact O-CG 3.41Å; V952-M956 PolarHBondContact O-N 3.24Å; V952-D1001 HydrophobicContact CG1-CB 4.05Å; V952-D1001 HydrophobicContact CG2-CB 3.99Å |
| 953 | S | 81.2 | Confident | 67.3 | Low | 43 Ų | 43 | 57.1 Ų | 57.1 | 30% | 0.301 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 176.1 | 83.9 | 0 | 0 | 0 | 0 | 112.4 | D949 L950 N957 | D949-S953 PolarHBondContact O-N 3.16Å; L950-S953 WeakPolarHBondContact O-CB 3.46Å; L950-S953 PolarHBondContact O-N 3.43Å; L950-S953 VanDerWaalsContact O-N 3.17Å; L950-S953 PolarHBondContact O-OG 2.88Å; S953-N957 WeakPolarHBondContact O-CB 3.28Å; S953-N957 VanDerWaalsContact O-CG 3.27Å; S953-N957 PolarHBondContact O-N 3.15Å; S953-N957 PolarHBondContact O-ND2 3.15Å |
| 954 | I | 71.6 | Confident | 65.9 | Low | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -45.8 | 175.8 | -69.8 | 166 | 0 | 0 | 0 | 109.5 | P889 T891 L950 A951 V952 M956 N957 S958 K965 | P889-I954 HydrophobicContact CG-CD1 4.49Å; T891-I954 HydrophobicContact CG2-CG2 4.15Å; L950-I954 HydrophobicContact CD1-CD1 4.45Å; L950-I954 HydrophobicContact CG-CD1 4.12Å; L950-I954 WeakPolarHBondContact O-CG1 3.36Å; L950-I954 PolarHBondContact O-N 2.75Å; A951-I954 PolarHBondContact O-N 3.34Å; V952-I954 VanDerWaalsContact C-N 3.31Å; V952-I954 PolarHBondContact O-N 3.25Å; I954-M956 PolarHBondContact O-N 2.92Å; I954-N957 PolarHBondContact O-N 3.47Å; I954-S958 WeakPolarHBondContact O-CB 3.26Å; I954-S958 PolarHBondContact O-N 3.29Å; I954-S958 PolarHBondContact O-OG 3.27Å; I954-K965 HydrophobicContact CG2-CD 4.44Å |
| 955 | A | 73.6 | Confident | 64.2 | Low | 7 Ų | 7 | 64 Ų | 64 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A951 V952 N957 S958 | A951-A955 PolarHBondContact O-N 2.87Å; V952-A955 PolarHBondContact O-N 3.14Å; A955-N957 VanDerWaalsContact C-N 3.33Å; A955-N957 PolarHBondContact O-N 2.93Å; A955-S958 PolarHBondContact O-N 3.38Å; A955-S958 PolarHBondContact O-OG 3.02Å |
| 956 | M | 72.9 | Confident | 62.5 | Low | 99 Ų | 99 | 63 Ų | 63 | 49% | 0.488 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.1 | -71.2 | 177.2 | 174.1 | 0 | 0 | 112.4 | V952 I954 T1000 | V952-M956 HydrophobicContact CG1-CE 3.75Å; V952-M956 HydrophobicContact CG1-SD 4.24Å; V952-M956 WeakPolarHBondContact O-CG 3.41Å; V952-M956 PolarHBondContact O-N 3.24Å; I954-M956 PolarHBondContact O-N 2.92Å; M956-T1000 HydrophobicContact CG-CG2 4Å |
| 957 | N | 63 | Low | 60.9 | Low | 82 Ų | 82 | 59.3 Ų | 59.3 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.9 | -26.9 | -179 | -71.2 | -45.8 | 0 | 0 | 0 | 113.7 | S953 I954 A955 M959 V960 | S953-N957 WeakPolarHBondContact O-CB 3.28Å; S953-N957 VanDerWaalsContact O-CG 3.27Å; S953-N957 PolarHBondContact O-N 3.15Å; S953-N957 PolarHBondContact O-ND2 3.15Å; I954-N957 PolarHBondContact O-N 3.47Å; A955-N957 VanDerWaalsContact C-N 3.33Å; A955-N957 PolarHBondContact O-N 2.93Å; N957-M959 PolarHBondContact O-N 3.01Å; N957-M959 VanDerWaalsContact O-N 3.14Å; N957-V960 WeakPolarHBondContact O-CB 3.37Å; N957-V960 PolarHBondContact O-N 3.3Å |
| 958 | S | 56.6 | Low | 59.3 | Low | 57 Ų | 57 | 64 Ų | 64 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -16.2 | 178.2 | 67.3 | 0 | 0 | 0 | 0 | 113.4 | I954 A955 V960 | I954-S958 WeakPolarHBondContact O-CB 3.26Å; I954-S958 PolarHBondContact O-N 3.29Å; I954-S958 PolarHBondContact O-OG 3.27Å; A955-S958 PolarHBondContact O-N 3.38Å; A955-S958 PolarHBondContact O-OG 3.02Å; S958-V960 PolarHBondContact O-N 3.33Å |
| 959 | M | 43.8 | Very low | 57.7 | Low | 116 Ų | 116 | 66.1 Ų | 66.1 | 57% | 0.571 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -10.7 | 170 | -58.1 | -166.4 | -153.6 | 0 | 0 | 113.3 | N957 A997 T1000 | N957-M959 PolarHBondContact O-N 3.01Å; N957-M959 VanDerWaalsContact O-N 3.14Å; M959-A997 VanDerWaalsContact CE-O 3.24Å; M959-A997 WeakPolarHBondContact CE-O 3.44Å; M959-T1000 HydrophobicContact CE-CG2 3.34Å |
| 960 | V | 34.2 | Very low | 55.8 | Low | 106 Ų | 106 | 66.5 Ų | 66.5 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -30.7 | -168.3 | -171.1 | 0 | 0 | 0 | 0 | 113.5 | N957 S958 | N957-V960 WeakPolarHBondContact O-CB 3.37Å; N957-V960 PolarHBondContact O-N 3.3Å; S958-V960 PolarHBondContact O-N 3.33Å |
| 961 | D | 34.1 | Very low | 54 | Low | 119 Ų | 119 | 69.5 Ų | 69.5 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | trans | -160.9 | 123.1 | 173.9 | -94.4 | -43.7 | 0 | 0 | 0 | 112.7 | F963 | D961-F963 PolarHBondContact O-N 3.19Š| ||
| 962 | G | 38.2 | Very low | 52.3 | Low | 64 Ų | 64 | 71.6 Ų | 71.6 | 66% | 0.66 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -86.4 | -1.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 963 | F | 44 | Very low | 49.9 | Very low | 85 Ų | 85 | 77.1 Ų | 77.1 | 37% | 0.373 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -104.6 | -16.6 | -168.6 | -85 | -84 | 0 | 0 | 0 | 115.7 | L637 A640 D961 | L637-F963 HydrophobicContact CD2-CE1 4.27Å; A640-F963 HydrophobicContact CB-CE2 3.82Å; A640-F963 HydrophobicContact CB-CZ 3.64Å; D961-F963 PolarHBondContact O-N 3.19Å |
| 964 | Q | 41.1 | Very low | 47.6 | Very low | 127 Ų | 127 | 79.5 Ų | 79.5 | 59% | 0.593 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -96.2 | -9.3 | -156.7 | -76.9 | -175.6 | -12.8 | 0 | 0 | 118.8 | ||
| 965 | K | 45.1 | Very low | 45.6 | Very low | 88 Ų | 88 | 83.3 Ų | 83.3 | 38% | 0.383 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -115.6 | -12.2 | -160.2 | -68.8 | -170.2 | 179.6 | -178 | 0 | 119.1 | I954 | I954-K965 HydrophobicContact CG2-CD 4.44Š|
| 966 | D | 43.2 | Very low | 43.5 | Very low | 43 Ų | 43 | 89.2 Ų | 89.2 | 23% | 0.23 | 48% | 0.481 | C | S | . | . | trans | -110.3 | 16.9 | -176.3 | -70.2 | -33.6 | 0 | 0 | 0 | 114.1 | T891 R968 K991 | T891-D966 VanDerWaalsContact CB-OD2 3.28Å; T891-D966 WeakPolarHBondContact CB-OD2 3.47Å; T891-D966 PolarHBondContact N-OD1 3.49Å; T891-D966 PolarHBondContact OG1-OD1 3.1Å; T891-D966 PolarHBondContact OG1-OD2 3.02Å; T891-D966 VanDerWaalsContact OG1-OD2 3.1Å; D966-R968 PolarHBondContact O-N 2.87Å; D966-K991 IonicContact OD2-NZ 3Å; D966-K991 PolarHBondContact OD2-NZ 3.04Å | ||
| 967 | E | 46.1 | Very low | 41.6 | Very low | 46 Ų | 46 | 87.7 Ų | 87.7 | 22% | 0.215 | 48% | 0.48 | C | S | . | . | trans | -75.8 | 63.6 | 179.8 | -65.7 | -178.8 | -162.9 | 0 | 0 | 113 | R541 C590 F969 | R541-E967 IonicContact NH2-OE2 2.9Å; C590-E967 PolarHBondContact SG-OE1 3.32Å; C590-E967 PolarHBondContact SG-OE2 3.01Å; C590-E967 VanDerWaalsContact SG-OE2 3.35Å; E967-F969 HydrophobicContact CB-CE2 4.31Å | ||
| 968 | R | 46.4 | Very low | 40.1 | Very low | 113 Ų | 113 | 87.2 Ų | 87.2 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | trans | -101.9 | 103.6 | 162.5 | -80 | -176.3 | -91.7 | -167.3 | -10.3 | 107.9 | S887 L888 D966 I970 | S887-R968 PolarHBondContact OG-NH1 3.41Å; S887-R968 VanDerWaalsContact OG-NH1 3.1Å; L888-R968 PolarHBondContact O-NH1 2.77Å; L888-R968 PolarHBondContact O-NH2 3.08Å; D966-R968 PolarHBondContact O-N 2.87Å; R968-I970 PolarHBondContact O-N 2.78Å | ||
| 969 | F | 50.2 | Low | 39.1 | Very low | 46 Ų | 46 | 92 Ų | 92 | 20% | 0.202 | 51% | 0.511 | C | S | . | . | trans | -65.9 | 113.4 | 169.6 | -64.7 | -86.3 | 0 | 0 | 0 | 107.1 | M586 R587 E967 F987 | M586-F969 HydrophobicContact CE-CD1 3.32Å; M586-F969 HydrophobicContact CE-CE1 3.05Å; M586-F969 HydrophobicContact CE-CG 4.39Å; M586-F969 HydrophobicContact CE-CZ 3.96Å; M586-F969 HydrophobicContact CG-CE1 4.34Å; M586-F969 HydrophobicContact SD-CD1 4.04Å; M586-F969 HydrophobicContact SD-CE1 3.48Å; M586-F969 WeakPolarHBondContact SD-CE1 3.4Å; R587-F969 VanDerWaalsContact CZ-CD2 3.47Å; E967-F969 HydrophobicContact CB-CE2 4.31Å; F969-F987 HydrophobicContact CE1-CE2 4.15Å; F969-F987 HydrophobicContact CE1-CZ 4.13Å; F969-F987 HydrophobicContact CZ-CE2 4.48Å; F969-F987 HydrophobicContact CZ-CZ 4.01Å | ||
| 970 | I | 43.2 | Very low | 39.4 | Very low | 81 Ų | 81 | 88.3 Ų | 88.3 | 42% | 0.415 | 50% | 0.496 | S | S | . | . | trans | -79 | 121 | 175.1 | -62 | 172.2 | 0 | 0 | 0 | 105.9 | R968 I972 | R968-I970 PolarHBondContact O-N 2.78Å; I970-I972 PolarHBondContact O-N 3.17Å | ||
| 971 | E | 41.3 | Very low | 40.9 | Very low | 118 Ų | 118 | 86.3 Ų | 86.3 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | trans | -64.7 | 128.5 | 165.1 | -79.7 | 171.5 | -172.7 | 0 | 0 | 108.2 | D973 | E971-D973 PolarHBondContact O-N 3.21Š| ||
| 972 | I | 44.4 | Very low | 43 | Very low | 44 Ų | 44 | 83.4 Ų | 83.4 | 23% | 0.226 | 47% | 0.472 | C | S | . | . | trans | -75.2 | 110.3 | 177.5 | -54.2 | 170.6 | 0 | 0 | 0 | 106.1 | H625 I970 S974 | H625-I972 HydrophobicContact CB-CD1 3.25Å; I970-I972 PolarHBondContact O-N 3.17Å; I972-S974 PolarHBondContact O-N 2.66Å | ||
| 973 | D | 33.2 | Very low | 45.1 | Very low | 127 Ų | 127 | 81.5 Ų | 81.5 | 68% | 0.679 | 45% | 0.448 | S | S | * | . | trans | -63.4 | 109.5 | 163 | -86.6 | -28.4 | 0 | 0 | 0 | 107.3 | E971 D975 | E971-D973 PolarHBondContact O-N 3.21Å; D973-D975 PolarHBondContact O-N 2.65Å | ||
| 974 | S | 33.1 | Very low | 47 | Very low | 93 Ų | 93 | 79.6 Ų | 79.6 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | trans | -68.1 | 99 | 169.9 | 43.2 | 0 | 0 | 0 | 0 | 107.9 | I972 P976 | I972-S974 PolarHBondContact O-N 2.66Å; S974-P976 VanDerWaalsContact O-CD 3.23Å; S974-P976 WeakPolarHBondContact O-CD 2.96Å | ||
| 975 | D | 30.4 | Very low | 49.2 | Very low | 88 Ų | 88 | 73.6 Ų | 73.6 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | trans | -64.3 | 116.7 | 172.2 | -167.3 | -30.6 | 0 | 0 | 0 | 108.3 | D973 S977 G978 | D973-D975 PolarHBondContact O-N 2.65Å; D975-S977 PolarHBondContact O-N 2.98Å; D975-S977 WeakPolarHBondContact OD1-CB 3.26Å; D975-S977 PolarHBondContact OD1-N 3.14Å; D975-S977 VanDerWaalsContact OD1-N 3.14Å; D975-S977 PolarHBondContact OD1-OG 3.2Å; D975-S977 PolarHBondContact OD2-OG 3.34Å; D975-G978 PolarHBondContact O-N 3.47Å | ||
| 976 | P | 29.6 | Very low | 50.9 | Low | 132 Ų | 132 | 70.2 Ų | 70.2 | 86% | 0.857 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -5 | -176.9 | 25.3 | -33.2 | 0 | 0 | 0 | 113.3 | S974 G978 | S974-P976 VanDerWaalsContact O-CD 3.23Å; S974-P976 WeakPolarHBondContact O-CD 2.96Å; P976-G978 PolarHBondContact O-N 2.7Å |
| 977 | S | 32 | Very low | 52.7 | Low | 66 Ų | 66 | 69.1 Ų | 69.1 | 46% | 0.462 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -8.1 | 175.1 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | D975 Q979 | D975-S977 PolarHBondContact O-N 2.98Å; D975-S977 WeakPolarHBondContact OD1-CB 3.26Å; D975-S977 PolarHBondContact OD1-N 3.14Å; D975-S977 VanDerWaalsContact OD1-N 3.14Å; D975-S977 PolarHBondContact OD1-OG 3.2Å; D975-S977 PolarHBondContact OD2-OG 3.34Å; S977-Q979 PolarHBondContact O-N 3.43Å |
| 978 | G | 31.5 | Very low | 54.5 | Low | 73 Ų | 73 | 67 Ų | 67 | 75% | 0.753 | 38% | 0.383 | S | S | * | . | trans | 64.3 | 7.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D975 P976 | D975-G978 PolarHBondContact O-N 3.47Å; P976-G978 PolarHBondContact O-N 2.7Å | ||
| 979 | Q | 35.4 | Very low | 55.8 | Low | 156 Ų | 156 | 63.5 Ų | 63.5 | 73% | 0.729 | 37% | 0.372 | S | S | * | . | trans | -79 | 124.6 | 171.3 | -66.3 | -171 | 6.6 | 0 | 0 | 107.9 | S977 A981 | S977-Q979 PolarHBondContact O-N 3.43Å; Q979-A981 VanDerWaalsContact C-N 3.29Å; Q979-A981 PolarHBondContact O-N 3.21Å | ||
| 980 | S | 50.5 | Low | 56.7 | Low | 39 Ų | 39 | 63 Ų | 63 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -61.3 | 91.1 | 178.4 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | R735 | R735-S980 WeakPolarHBondContact CB-O 3.31Å; R735-S980 VanDerWaalsContact CD-O 3.25Å; R735-S980 WeakPolarHBondContact CD-O 3.42Å; R735-S980 WeakPolarHBondContact CD-OG 3.49Å; R735-S980 PolarHBondContact NE-OG 3.47Å | ||
| 981 | A | 65.3 | Low | 57.8 | Low | 65 Ų | 65 | 64.3 Ų | 64.3 | 54% | 0.537 | 37% | 0.373 | S | S | . | . | trans | -64.6 | 151.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q979 S983 | Q979-A981 VanDerWaalsContact C-N 3.29Å; Q979-A981 PolarHBondContact O-N 3.21Å; A981-S983 PolarHBondContact O-N 3.12Å | ||
| 982 | Y | 78.2 | Confident | 59.4 | Low | 57 Ų | 57 | 60.7 Ų | 60.7 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | trans | -68.8 | 121.8 | 170.6 | 169.3 | -104.5 | 0 | 0 | 0 | 109.5 | P670 Q674 R735 P738 Q984 | P670-Y982 HydrophobicContact CB-CD2 4.07Å; Q674-Y982 PolarHBondContact OE1-OH 2.96Å; R735-Y982 WeakPolarHBondContact O-CD2 3.42Å; P738-Y982 HydrophobicContact CB-CD1 3.91Å; P738-Y982 HydrophobicContact CB-CD2 4.08Å; P738-Y982 HydrophobicContact CB-CE1 3.61Å; P738-Y982 HydrophobicContact CB-CE2 3.85Å; P738-Y982 HydrophobicContact CB-CG 4.13Å; P738-Y982 HydrophobicContact CG-CD1 3.73Å; P738-Y982 HydrophobicContact CG-CD2 4.05Å; P738-Y982 HydrophobicContact CG-CE1 3.98Å; P738-Y982 HydrophobicContact CG-CE2 4.33Å; P738-Y982 HydrophobicContact CG-CG 3.75Å; Y982-Q984 HydrophobicContact CE1-CB 3.8Å; Y982-Q984 PolarHBondContact OH-OE1 3.15Å | ||
| 983 | S | 83.5 | Confident | 61 | Low | 24 Ų | 24 | 59.6 Ų | 59.6 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | trans | -108.7 | 117.8 | 170.6 | -57.8 | 0 | 0 | 0 | 0 | 109.8 | Y671 Q674 A981 | Y671-S983 VanDerWaalsContact OH-CB 3.23Å; Y671-S983 WeakPolarHBondContact OH-CB 3.33Å; Q674-S983 PolarHBondContact NE2-O 3.48Å; Q674-S983 VanDerWaalsContact NE2-O 3.09Å; A981-S983 PolarHBondContact O-N 3.12Å | ||
| 984 | Q | 84.1 | Confident | 63.1 | Low | 46 Ų | 46 | 55.2 Ų | 55.2 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | trans | -74 | 125.9 | 176.6 | 174.5 | 63.5 | 80.3 | 0 | 0 | 109.5 | Q674 Y982 T986 A988 I989 | Q674-Q984 VanDerWaalsContact OE1-NE2 3.09Å; Y982-Q984 HydrophobicContact CE1-CB 3.8Å; Y982-Q984 PolarHBondContact OH-OE1 3.15Å; Q984-T986 PolarHBondContact O-N 3.47Å; Q984-A988 PolarHBondContact NE2-O 3.23Å; Q984-I989 HydrophobicContact CG-CG1 4.1Å | ||
| 985 | L | 87.6 | Confident | 65.4 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -72.8 | 124.1 | 168.1 | -61.7 | 174.4 | 0 | 0 | 0 | 108.9 | F628 E629 C632 Y671 Q674 L675 F987 A988 | F628-L985 HydrophobicContact CB-CD1 4.12Å; F628-L985 HydrophobicContact CB-CD2 3.75Å; E629-L985 HydrophobicContact CB-CD2 4.4Å; E629-L985 HydrophobicContact CG-CD2 3.66Å; E629-L985 WeakPolarHBondContact OE1-CA 3.45Å; C632-L985 HydrophobicContact CB-CD1 4.37Å; Y671-L985 HydrophobicContact CD1-CD1 4.1Å; Y671-L985 HydrophobicContact CD1-CD2 3.61Å; Y671-L985 HydrophobicContact CD1-CG 3.8Å; Y671-L985 HydrophobicContact CE1-CD2 3.62Å; Y671-L985 HydrophobicContact CE1-CG 4.14Å; Q674-L985 HydrophobicContact CB-CD1 4.06Å; L675-L985 HydrophobicContact CD2-CD1 3.99Å; L675-L985 HydrophobicContact CG-CD1 4.31Å; L985-F987 VanDerWaalsContact C-N 3.25Å; L985-F987 PolarHBondContact O-N 3.04Å; L985-A988 HydrophobicContact CB-CB 3.72Å; L985-A988 HydrophobicContact CD1-CB 4.26Å; L985-A988 CarbonylContact O-C 3.51Å; L985-A988 VanDerWaalsContact O-C 3.3Å; L985-A988 WeakPolarHBondContact O-CA 3.42Å; L985-A988 PolarHBondContact O-N 3.47Å | ||
| 986 | T | 80.3 | Confident | 67.8 | Low | 18 Ų | 18 | 48.7 Ų | 48.7 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -52.8 | -44.4 | 176.6 | -49.5 | 0 | 0 | 0 | 0 | 110.8 | E629 Q984 A988 I989 | E629-T986 VanDerWaalsContact CD-N 3.28Å; E629-T986 WeakPolarHBondContact OE1-CA 3.34Å; E629-T986 WeakPolarHBondContact OE1-CB 3.16Å; E629-T986 PolarHBondContact OE1-N 3.32Å; E629-T986 PolarHBondContact OE1-OG1 3.26Å; E629-T986 PolarHBondContact OE2-N 3.4Å; E629-T986 VanDerWaalsContact OE2-N 3.14Å; Q984-T986 PolarHBondContact O-N 3.47Å; T986-A988 VanDerWaalsContact C-N 3.3Å; T986-A988 PolarHBondContact O-N 2.95Å; T986-I989 WeakPolarHBondContact O-CG1 3.32Å |
| 987 | F | 80.6 | Confident | 70 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -78.4 | -15.7 | 179.7 | -60.4 | -65.2 | 0 | 0 | 0 | 113 | M586 C590 E629 C632 L633 R636 F969 L985 | M586-F987 HydrophobicContact CG-CE2 4.15Å; M586-F987 HydrophobicContact SD-CE2 4.16Å; C590-F987 HydrophobicContact CB-CZ 4.4Å; E629-F987 HydrophobicContact CB-CD2 4.3Å; E629-F987 VanDerWaalsContact OE2-CD2 3.24Å; E629-F987 WeakPolarHBondContact OE2-CD2 3.16Å; E629-F987 PolarHBondContact OE2-N 3.34Å; C632-F987 HydrophobicContact CB-CB 3.95Å; C632-F987 VanDerWaalsContact SG-CB 3.56Å; L633-F987 HydrophobicContact CB-CD2 3.83Å; L633-F987 HydrophobicContact CB-CE2 4.01Å; L633-F987 HydrophobicContact CB-CG 4.13Å; L633-F987 HydrophobicContact CB-CZ 4.46Å; L633-F987 HydrophobicContact CD1-CD1 3.93Å; L633-F987 HydrophobicContact CD1-CE1 3.75Å; L633-F987 HydrophobicContact CD1-CE2 4.4Å; L633-F987 HydrophobicContact CD1-CG 4.34Å; L633-F987 HydrophobicContact CD1-CZ 4Å; L633-F987 HydrophobicContact CD2-CE2 4.08Å; L633-F987 HydrophobicContact CD2-CZ 4.02Å; L633-F987 HydrophobicContact CG-CE2 4.4Å; L633-F987 HydrophobicContact CG-CZ 4.39Å; R636-F987 WeakPolarHBondContact CD-O 3.44Å; R636-F987 PolarHBondContact NH1-O 3.46Å; F969-F987 HydrophobicContact CE1-CE2 4.15Å; F969-F987 HydrophobicContact CE1-CZ 4.13Å; F969-F987 HydrophobicContact CZ-CE2 4.48Å; F969-F987 HydrophobicContact CZ-CZ 4.01Å; L985-F987 VanDerWaalsContact C-N 3.25Å; L985-F987 PolarHBondContact O-N 3.04Å |
| 988 | A | 83.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -102.3 | 46.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q674 V678 R742 Q984 L985 T986 | Q674-A988 HydrophobicContact CB-CB 4.14Å; V678-A988 HydrophobicContact CG2-CB 3.5Å; V678-A988 VanDerWaalsContact CG2-CB 3.5Å; R742-A988 VanDerWaalsContact NH1-C 3.29Å; R742-A988 PolarHBondContact NH1-O 2.91Å; R742-A988 PolarHBondContact NH2-O 3.19Å; Q984-A988 PolarHBondContact NE2-O 3.23Å; L985-A988 HydrophobicContact CB-CB 3.72Å; L985-A988 HydrophobicContact CD1-CB 4.26Å; L985-A988 CarbonylContact O-C 3.51Å; L985-A988 VanDerWaalsContact O-C 3.3Å; L985-A988 WeakPolarHBondContact O-CA 3.42Å; L985-A988 PolarHBondContact O-N 3.47Å; T986-A988 VanDerWaalsContact C-N 3.3Å; T986-A988 PolarHBondContact O-N 2.95Å |
| 989 | I | 74 | Confident | 75.1 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 21% | 0.205 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -92.9 | 124.1 | 168.7 | -64.8 | 172.6 | 0 | 0 | 0 | 108.9 | R742 Q984 T986 | R742-I989 VanDerWaalsContact NH1-C 3.3Å; Q984-I989 HydrophobicContact CG-CG1 4.1Å; T986-I989 WeakPolarHBondContact O-CG1 3.32Å |
| 990 | Q | 68.4 | Low | 77.4 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -88 | 128.9 | -175 | -169.6 | 168.8 | 23.4 | 0 | 0 | 106.8 | R742 | R742-Q990 HydrophobicContact CG-CB 4.09Å; R742-Q990 VanDerWaalsContact CZ-CB 3.42Å; R742-Q990 PolarHBondContact O-OE1 3.2Å |
| 991 | K | 67.8 | Low | 79.4 | Confident | 109 Ų | 109 | 37.4 Ų | 37.4 | 47% | 0.474 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -103.5 | 118 | 169.4 | -64.3 | -179.1 | 180 | 179.3 | 0 | 106.3 | D966 | D966-K991 IonicContact OD2-NZ 3Å; D966-K991 PolarHBondContact OD2-NZ 3.04Å |
| 992 | L | 74.4 | Confident | 80.6 | Confident | 43 Ų | 43 | 34.3 Ų | 34.3 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 136.3 | 165 | -88.4 | 154.7 | 0 | 0 | 0 | 107.5 | L749 N786 L790 D994 | L749-L992 HydrophobicContact CD1-CD2 4.24Å; L749-L992 HydrophobicContact CD2-CD2 4.39Å; N786-L992 HydrophobicContact CB-CD1 4.16Å; L790-L992 HydrophobicContact CD2-CD2 3.82Å; L992-D994 PolarHBondContact O-N 3.28Å |
| 993 | P | 78.1 | Confident | 81.3 | Confident | 20 Ų | 20 | 32.5 Ų | 32.5 | 13% | 0.13 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -52 | 136.1 | 174 | -29 | 36.1 | 0 | 0 | 0 | 111.3 | L685 V689 C693 L790 L995 | L685-P993 HydrophobicContact CD1-CG 4.11Å; L685-P993 HydrophobicContact CD2-CG 4.17Å; V689-P993 HydrophobicContact CG1-CB 4.2Å; V689-P993 HydrophobicContact CG1-CG 3.89Å; C693-P993 VanDerWaalsContact SG-CB 3.57Å; L790-P993 HydrophobicContact CD2-CB 4.26Å; L790-P993 HydrophobicContact CD2-CG 4.19Å; P993-L995 PolarHBondContact O-N 2.98Å |
| 994 | D | 77.3 | Confident | 81.7 | Confident | 35 Ų | 35 | 34.9 Ų | 34.9 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | trans | -79.1 | 110 | -175.8 | 176.7 | 13.2 | 0 | 0 | 0 | 111.1 | R898 L992 Y996 A997 | R898-D994 IonicContact CZ-OD2 3.45Å; R898-D994 VanDerWaalsContact CZ-OD2 3.28Å; R898-D994 IonicContact NH1-OD2 2.89Å; R898-D994 PolarHBondContact NH1-OD2 3.49Å; R898-D994 IonicContact NH2-OD1 3.6Å; R898-D994 IonicContact NH2-OD2 3.01Å; R898-D994 PolarHBondContact NH2-OD2 3.39Å; L992-D994 PolarHBondContact O-N 3.28Å; D994-Y996 PolarHBondContact O-N 3.41Å; D994-Y996 PolarHBondContact OD1-N 2.89Å; D994-Y996 VanDerWaalsContact OD1-N 3.16Å; D994-A997 HydrophobicContact CB-CB 4.42Å; D994-A997 PolarHBondContact OD1-N 3.43Å; D994-A997 WeakPolarHBondContact OD2-CA 3.33Å; D994-A997 VanDerWaalsContact OD2-CB 3.29Å; D994-A997 WeakPolarHBondContact OD2-CB 3.38Å; D994-A997 PolarHBondContact OD2-N 3.2Å | ||
| 995 | L | 80.4 | Confident | 82.2 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.2 | -176.7 | -76.9 | 163.5 | 0 | 0 | 0 | 113.9 | N692 L790 L834 I835 M899 P993 | N692-L995 HydrophobicContact CB-CD2 4.18Å; L790-L995 HydrophobicContact CD1-CD1 4.47Å; L790-L995 HydrophobicContact CD1-CD2 3.45Å; L790-L995 VanDerWaalsContact CD1-CD2 3.45Å; L790-L995 HydrophobicContact CD1-CG 4.06Å; L834-L995 HydrophobicContact CB-CD1 3.8Å; L834-L995 HydrophobicContact CD1-CD1 4.02Å; I835-L995 HydrophobicContact CD1-CD1 3.74Å; I835-L995 HydrophobicContact CD1-CD2 4.17Å; I835-L995 HydrophobicContact CG1-CD1 3.62Å; I835-L995 HydrophobicContact CG1-CD2 3.78Å; I835-L995 HydrophobicContact CG1-CG 4.36Å; M899-L995 HydrophobicContact CE-CB 4.49Å; M899-L995 HydrophobicContact CE-CD1 3.92Å; M899-L995 HydrophobicContact CE-CG 4.37Å; P993-L995 PolarHBondContact O-N 2.98Å |
| 996 | Y | 80.3 | Confident | 82.5 | Confident | 37 Ų | 37 | 34.9 Ų | 34.9 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | 47.1 | -172.7 | -76.3 | -92.3 | 0 | 0 | 0 | 112.3 | L834 R898 I902 R906 D994 S998 I999 | L834-Y996 HydrophobicContact CB-CD2 4.45Å; L834-Y996 HydrophobicContact CB-CE2 4.07Å; L834-Y996 HydrophobicContact CD2-CD2 3.78Å; L834-Y996 HydrophobicContact CD2-CE2 3.84Å; L834-Y996 PolarHBondContact O-OH 3.02Å; R898-Y996 PolarHBondContact NH1-O 3.17Å; I902-Y996 HydrophobicContact CG2-CG 4.3Å; R906-Y996 PolarHBondContact NH1-OH 3.43Å; D994-Y996 PolarHBondContact O-N 3.41Å; D994-Y996 PolarHBondContact OD1-N 2.89Å; D994-Y996 VanDerWaalsContact OD1-N 3.16Å; Y996-S998 PolarHBondContact O-N 3.02Å; Y996-I999 HydrophobicContact CD1-CD1 3.96Å; Y996-I999 PolarHBondContact O-N 3.3Å |
| 997 | A | 77.5 | Confident | 83.2 | Confident | 43 Ų | 43 | 34 Ų | 34 | 36% | 0.355 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -30.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | R898 M959 D994 I999 | R898-A997 PolarHBondContact NH1-O 3.23Å; M959-A997 VanDerWaalsContact CE-O 3.24Å; M959-A997 WeakPolarHBondContact CE-O 3.44Å; D994-A997 HydrophobicContact CB-CB 4.42Å; D994-A997 PolarHBondContact OD1-N 3.43Å; D994-A997 WeakPolarHBondContact OD2-CA 3.33Å; D994-A997 VanDerWaalsContact OD2-CB 3.29Å; D994-A997 WeakPolarHBondContact OD2-CB 3.38Å; D994-A997 PolarHBondContact OD2-N 3.2Å; A997-I999 VanDerWaalsContact C-N 3.3Å; A997-I999 PolarHBondContact O-N 3.47Å |
| 998 | S | 82.2 | Confident | 83.8 | Confident | 108 Ų | 108 | 38.6 Ų | 38.6 | 76% | 0.755 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.3 | 177.6 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | Y996 | Y996-S998 PolarHBondContact O-N 3.02Š|
| 999 | I | 86.9 | Confident | 84.2 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | trans | -94.1 | 103.8 | 175.7 | -60.2 | 169.2 | 0 | 0 | 0 | 106.7 | R898 I902 Y996 A997 Y1005 | R898-I999 VanDerWaalsContact CD-O 3.22Å; R898-I999 WeakPolarHBondContact CD-O 3.29Å; R898-I999 PolarHBondContact NH1-O 3.26Å; I902-I999 HydrophobicContact CD1-CB 3.76Å; I902-I999 HydrophobicContact CD1-CD1 4.16Å; I902-I999 HydrophobicContact CD1-CG2 3.71Å; I902-I999 HydrophobicContact CG1-CD1 4.45Å; I902-I999 HydrophobicContact CG1-CG2 4.08Å; I902-I999 HydrophobicContact CG2-CD1 4.11Å; Y996-I999 HydrophobicContact CD1-CD1 3.96Å; Y996-I999 PolarHBondContact O-N 3.3Å; A997-I999 VanDerWaalsContact C-N 3.3Å; A997-I999 PolarHBondContact O-N 3.47Å; I999-Y1005 HydrophobicContact CD1-CD1 4.26Å; I999-Y1005 HydrophobicContact CD1-CD2 3.61Å; I999-Y1005 HydrophobicContact CD1-CE1 4.21Å; I999-Y1005 HydrophobicContact CD1-CE2 3.56Å; I999-Y1005 HydrophobicContact CD1-CG 3.98Å; I999-Y1005 HydrophobicContact CG1-CD2 4.23Å; I999-Y1005 HydrophobicContact CG2-CD2 4.37Å; I999-Y1005 HydrophobicContact CG2-CG 4.04Å | ||
| 1000 | T | 85.2 | Confident | 85.2 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 17% | 0.172 | 20% | 0.2 | C | C | . | . | trans | -88 | -36.6 | -179.9 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | R898 M956 M959 | R898-T1000 WeakPolarHBondContact CD-O 3.47Å; M956-T1000 HydrophobicContact CG-CG2 4Å; M959-T1000 HydrophobicContact CE-CG2 3.34Å | ||
| 1001 | D | 90.5 | Very high | 86.3 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | trans | -114.1 | 106.2 | 178.6 | -165.3 | -23.7 | 0 | 0 | 0 | 111.3 | V952 R1003 V1004 Y1005 | V952-D1001 HydrophobicContact CG1-CB 4.05Å; V952-D1001 HydrophobicContact CG2-CB 3.99Å; D1001-R1003 PolarHBondContact O-N 3.13Å; D1001-R1003 WeakPolarHBondContact OD1-CA 3.4Å; D1001-R1003 WeakPolarHBondContact OD1-CB 3.46Å; D1001-R1003 WeakPolarHBondContact OD1-CG 3.09Å; D1001-R1003 IonicContact OD1-CZ 2.74Å; D1001-R1003 PolarHBondContact OD1-N 3.15Å; D1001-R1003 IonicContact OD1-NE 2.6Å; D1001-R1003 PolarHBondContact OD1-NE 3.29Å; D1001-R1003 IonicContact OD1-NH2 3.27Å; D1001-R1003 IonicContact OD2-CZ 2.95Å; D1001-R1003 IonicContact OD2-NE 2.77Å; D1001-R1003 PolarHBondContact OD2-NE 3.13Å; D1001-R1003 IonicContact OD2-NH2 2.72Å; D1001-R1003 PolarHBondContact OD2-NH2 3.3Å; D1001-V1004 HydrophobicContact CB-CB 4.32Å; D1001-V1004 HydrophobicContact CB-CG2 4Å; D1001-V1004 PolarHBondContact O-N 2.89Å; D1001-Y1005 PolarHBondContact O-N 3.23Å | ||
| 1002 | P | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.6 | -19.7 | 177.6 | 27.9 | -34.4 | 0 | 0 | 0 | 113.2 | W897 I902 I905 L936 Y1005 L1006 | W897-P1002 HydrophobicContact CD2-CG 4.32Å; W897-P1002 HydrophobicContact CE3-CG 4.21Å; W897-P1002 VanDerWaalsContact CH2-CD 3.45Å; W897-P1002 HydrophobicContact CH2-CG 3.44Å; W897-P1002 VanDerWaalsContact CH2-CG 3.44Å; W897-P1002 HydrophobicContact CZ2-CG 3.53Å; W897-P1002 HydrophobicContact CZ3-CG 3.8Å; I902-P1002 HydrophobicContact CG1-CB 4.4Å; I905-P1002 HydrophobicContact CD1-CB 4.31Å; I905-P1002 VanDerWaalsContact CD1-O 3.29Å; I905-P1002 WeakPolarHBondContact CD1-O 3.49Å; L936-P1002 HydrophobicContact CD2-CB 4.03Å; L936-P1002 HydrophobicContact CD2-CG 3.87Å; P1002-Y1005 PolarHBondContact O-N 2.85Å; P1002-L1006 PolarHBondContact O-N 2.91Å |
| 1003 | R | 92.3 | Very high | 88.1 | Confident | 19 Ų | 19 | 35.5 Ų | 35.5 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -44.9 | 177.3 | -58.4 | 169.8 | -66.4 | -176.5 | 5.1 | 110.8 | L936 D949 D1001 Y1005 L1006 A1007 Y1036 L1040 | L936-R1003 HydrophobicContact CB-CG 4.42Å; L936-R1003 HydrophobicContact CD2-CG 4.2Å; D949-R1003 IonicContact OD1-CZ 3.93Å; D949-R1003 VanDerWaalsContact OD1-CZ 3.24Å; D949-R1003 IonicContact OD1-NH1 3.68Å; D949-R1003 PolarHBondContact OD1-NH1 2.72Å; D949-R1003 IonicContact OD1-NH2 3.25Å; D949-R1003 PolarHBondContact OD1-NH2 3.43Å; D1001-R1003 PolarHBondContact O-N 3.13Å; D1001-R1003 WeakPolarHBondContact OD1-CA 3.4Å; D1001-R1003 WeakPolarHBondContact OD1-CB 3.46Å; D1001-R1003 WeakPolarHBondContact OD1-CG 3.09Å; D1001-R1003 IonicContact OD1-CZ 2.74Å; D1001-R1003 PolarHBondContact OD1-N 3.15Å; D1001-R1003 IonicContact OD1-NE 2.6Å; D1001-R1003 PolarHBondContact OD1-NE 3.29Å; D1001-R1003 IonicContact OD1-NH2 3.27Å; D1001-R1003 IonicContact OD2-CZ 2.95Å; D1001-R1003 IonicContact OD2-NE 2.77Å; D1001-R1003 PolarHBondContact OD2-NE 3.13Å; D1001-R1003 IonicContact OD2-NH2 2.72Å; D1001-R1003 PolarHBondContact OD2-NH2 3.3Å; R1003-Y1005 VanDerWaalsContact C-N 3.28Å; R1003-Y1005 PolarHBondContact O-N 3.47Å; R1003-L1006 PolarHBondContact O-N 3Å; R1003-A1007 PolarHBondContact O-N 3.26Å; R1003-A1007 VanDerWaalsContact O-N 3.07Å; R1003-Y1036 WeakPolarHBondContact CD-OH 3.1Å; R1003-L1040 HydrophobicContact CB-CD1 3.71Å; R1003-L1040 HydrophobicContact CB-CG 4.38Å; R1003-L1040 HydrophobicContact CG-CD1 4.31Å |
| 1004 | V | 91.9 | Very high | 88.7 | Confident | 73 Ų | 73 | 34.5 Ų | 34.5 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 174 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | D1001 A1007 K1008 | D1001-V1004 HydrophobicContact CB-CB 4.32Å; D1001-V1004 HydrophobicContact CB-CG2 4Å; D1001-V1004 PolarHBondContact O-N 2.89Å; V1004-A1007 WeakPolarHBondContact O-CB 3.42Å; V1004-A1007 PolarHBondContact O-N 3.15Å; V1004-K1008 PolarHBondContact O-N 3.16Å |
| 1005 | Y | 94.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 36.1 Ų | 36.1 | 18% | 0.184 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 176 | -172.5 | -116.4 | 0 | 0 | 0 | 112.3 | I902 I905 R906 I999 D1001 P1002 R1003 A1007 K1008 T1009 | I902-Y1005 HydrophobicContact CG1-CD1 4.25Å; I902-Y1005 HydrophobicContact CG2-CD1 4.25Å; I902-Y1005 HydrophobicContact CG2-CE1 3.82Å; I905-Y1005 HydrophobicContact CB-CD1 4.01Å; I905-Y1005 HydrophobicContact CB-CE1 4.06Å; I905-Y1005 HydrophobicContact CD1-CD1 4.01Å; I905-Y1005 HydrophobicContact CG2-CD1 3.57Å; I905-Y1005 HydrophobicContact CG2-CE1 3.61Å; R906-Y1005 HydrophobicContact CG-CE1 4.03Å; R906-Y1005 VanDerWaalsContact CG-OH 3.26Å; R906-Y1005 WeakPolarHBondContact CG-OH 3.35Å; I999-Y1005 HydrophobicContact CD1-CD1 4.26Å; I999-Y1005 HydrophobicContact CD1-CD2 3.61Å; I999-Y1005 HydrophobicContact CD1-CE1 4.21Å; I999-Y1005 HydrophobicContact CD1-CE2 3.56Å; I999-Y1005 HydrophobicContact CD1-CG 3.98Å; I999-Y1005 HydrophobicContact CG1-CD2 4.23Å; I999-Y1005 HydrophobicContact CG2-CD2 4.37Å; I999-Y1005 HydrophobicContact CG2-CG 4.04Å; D1001-Y1005 PolarHBondContact O-N 3.23Å; P1002-Y1005 PolarHBondContact O-N 2.85Å; R1003-Y1005 VanDerWaalsContact C-N 3.28Å; R1003-Y1005 PolarHBondContact O-N 3.47Å; Y1005-A1007 PolarHBondContact O-N 2.94Å; Y1005-K1008 PolarHBondContact O-N 3.17Å; Y1005-T1009 PolarHBondContact O-N 3.47Å; Y1005-T1009 PolarHBondContact O-OG1 2.93Å; Y1005-T1009 VanDerWaalsContact O-OG1 3.09Å |
| 1006 | L | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 173.6 | 175.9 | 62 | 0 | 0 | 0 | 111.9 | I905 I908 L929 I932 I933 L936 P1002 R1003 K1008 T1009 L1010 L1040 | I905-L1006 HydrophobicContact CD1-CB 3.79Å; I905-L1006 HydrophobicContact CG1-CB 4.09Å; I905-L1006 HydrophobicContact CG1-CD1 4.1Å; I905-L1006 HydrophobicContact CG2-CB 4.48Å; I905-L1006 HydrophobicContact CG2-CD1 4.29Å; I908-L1006 HydrophobicContact CD1-CD1 3.98Å; L929-L1006 HydrophobicContact CD1-CD1 3.97Å; I932-L1006 HydrophobicContact CG2-CD2 4.22Å; I933-L1006 HydrophobicContact CG1-CD2 4.04Å; L936-L1006 HydrophobicContact CD1-CB 4.28Å; L936-L1006 HydrophobicContact CD1-CD2 3.6Å; P1002-L1006 PolarHBondContact O-N 2.91Å; R1003-L1006 PolarHBondContact O-N 3Å; L1006-K1008 VanDerWaalsContact C-N 3.28Å; L1006-K1008 PolarHBondContact O-N 3.47Å; L1006-T1009 PolarHBondContact O-N 2.88Å; L1006-L1010 HydrophobicContact CD1-CD1 4.02Å; L1006-L1010 HydrophobicContact CD1-CG 4Å; L1006-L1010 HydrophobicContact CG-CD1 4.12Å; L1006-L1010 HydrophobicContact CG-CG 4.47Å; L1006-L1010 WeakPolarHBondContact O-CG 3.21Å; L1006-L1010 PolarHBondContact O-N 3.39Å; L1006-L1040 HydrophobicContact CD2-CD1 4.4Å |
| 1007 | A | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1003 V1004 Y1005 L1010 H1011 L1040 M1041 S1044 L1046 | R1003-A1007 PolarHBondContact O-N 3.26Å; R1003-A1007 VanDerWaalsContact O-N 3.07Å; V1004-A1007 WeakPolarHBondContact O-CB 3.42Å; V1004-A1007 PolarHBondContact O-N 3.15Å; Y1005-A1007 PolarHBondContact O-N 2.94Å; A1007-L1010 PolarHBondContact O-N 3.34Å; A1007-H1011 WeakPolarHBondContact O-CB 3.35Å; A1007-H1011 PolarHBondContact O-N 3.1Å; A1007-L1040 HydrophobicContact CB-CD2 3.5Å; A1007-M1041 HydrophobicContact CB-SD 4.01Å; A1007-S1044 VanDerWaalsContact CB-OG 3.22Å; A1007-S1044 WeakPolarHBondContact CB-OG 3.34Å; A1007-L1046 HydrophobicContact CB-CD1 4.09Å |
| 1008 | K | 93.6 | Very high | 89.7 | Confident | 116 Ų | 116 | 42.8 Ų | 42.8 | 50% | 0.504 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.6 | -172.2 | 175.8 | 178.7 | 179 | 0 | 112.2 | V1004 Y1005 L1006 L1010 H1011 D1012 L1046 | V1004-K1008 PolarHBondContact O-N 3.16Å; Y1005-K1008 PolarHBondContact O-N 3.17Å; L1006-K1008 VanDerWaalsContact C-N 3.28Å; L1006-K1008 PolarHBondContact O-N 3.47Å; K1008-L1010 VanDerWaalsContact C-N 3.33Å; K1008-L1010 PolarHBondContact O-N 3.47Å; K1008-H1011 WeakPolarHBondContact O-CB 3.44Å; K1008-H1011 PolarHBondContact O-N 3.1Å; K1008-D1012 WeakPolarHBondContact O-CB 3.29Å; K1008-D1012 VanDerWaalsContact O-CG 3.23Å; K1008-D1012 PolarHBondContact O-N 3.19Å; K1008-L1046 HydrophobicContact CB-CD1 4.08Å |
| 1009 | T | 93.5 | Very high | 89.5 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 177 | -60 | 0 | 0 | 0 | 0 | 111.9 | I905 Y1005 L1006 D1012 L1013 | I905-T1009 HydrophobicContact CG2-CG2 4.08Å; I905-T1009 WeakPolarHBondContact CG2-OG1 3.23Å; Y1005-T1009 PolarHBondContact O-N 3.47Å; Y1005-T1009 PolarHBondContact O-OG1 2.93Å; Y1005-T1009 VanDerWaalsContact O-OG1 3.09Å; L1006-T1009 PolarHBondContact O-N 2.88Å; T1009-D1012 PolarHBondContact O-N 2.66Å; T1009-L1013 HydrophobicContact CG2-CD1 4.39Å; T1009-L1013 WeakPolarHBondContact O-CB 3.41Å; T1009-L1013 WeakPolarHBondContact O-CG 3.43Å; T1009-L1013 PolarHBondContact O-N 2.97Å |
| 1010 | L | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 177.2 | -67.6 | 176.5 | 0 | 0 | 0 | 112.3 | W925 L929 L1006 A1007 K1008 L1013 S1014 L1021 L1037 I1048 | W925-L1010 HydrophobicContact CH2-CD2 4.06Å; W925-L1010 HydrophobicContact CZ2-CD2 4.16Å; L929-L1010 HydrophobicContact CD1-CD1 4.33Å; L929-L1010 HydrophobicContact CD1-CD2 4.22Å; L929-L1010 HydrophobicContact CD2-CD2 4.28Å; L1006-L1010 HydrophobicContact CD1-CD1 4.02Å; L1006-L1010 HydrophobicContact CD1-CG 4Å; L1006-L1010 HydrophobicContact CG-CD1 4.12Å; L1006-L1010 HydrophobicContact CG-CG 4.47Å; L1006-L1010 WeakPolarHBondContact O-CG 3.21Å; L1006-L1010 PolarHBondContact O-N 3.39Å; A1007-L1010 PolarHBondContact O-N 3.34Å; K1008-L1010 VanDerWaalsContact C-N 3.33Å; K1008-L1010 PolarHBondContact O-N 3.47Å; L1010-L1013 PolarHBondContact O-N 3.25Å; L1010-S1014 PolarHBondContact O-N 3.14Å; L1010-L1021 HydrophobicContact CB-CD2 4.42Å; L1010-L1021 HydrophobicContact CD2-CD2 4.39Å; L1010-L1021 VanDerWaalsContact O-CD2 3.23Å; L1010-L1021 WeakPolarHBondContact O-CD2 3.49Å; L1010-L1037 HydrophobicContact CD1-CD1 3.66Å; L1010-I1048 HydrophobicContact CB-CD1 4.47Å |
| 1011 | H | 91.7 | Very high | 89.2 | Confident | 39 Ų | 39 | 42 Ų | 42 | 18% | 0.181 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 173.3 | 178 | 69.2 | 0 | 0 | 0 | 111.7 | A1007 K1008 L1013 S1014 N1015 L1046 C1047 | A1007-H1011 WeakPolarHBondContact O-CB 3.35Å; A1007-H1011 PolarHBondContact O-N 3.1Å; K1008-H1011 WeakPolarHBondContact O-CB 3.44Å; K1008-H1011 PolarHBondContact O-N 3.1Å; H1011-L1013 PolarHBondContact O-N 3.43Å; H1011-S1014 WeakPolarHBondContact O-CB 3.34Å; H1011-S1014 PolarHBondContact O-N 3.3Å; H1011-N1015 PolarHBondContact CD2-ND2 2.82Å; H1011-N1015 PolarHBondContact CE1-ND2 3.05Å; H1011-N1015 VanDerWaalsContact CE1-ND2 3.34Å; H1011-N1015 PolarHBondContact NE2-ND2 3.11Å; H1011-N1015 PolarHBondContact O-N 3.16Å; H1011-N1015 PolarHBondContact O-ND2 3.22Å; H1011-L1046 HydrophobicContact CB-CB 4.22Å; H1011-L1046 HydrophobicContact CB-CD1 4.15Å; H1011-L1046 HydrophobicContact CB-CD2 4.43Å; H1011-C1047 PolarHBondContact ND1-O 3.18Å |
| 1012 | D | 91.4 | Very high | 88.9 | Confident | 79 Ų | 79 | 42.4 Ų | 42.4 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.6 | -41.4 | -179.2 | -67.4 | -17.9 | 0 | 0 | 0 | 111.3 | K1008 T1009 N1015 A1016 | K1008-D1012 WeakPolarHBondContact O-CB 3.29Å; K1008-D1012 VanDerWaalsContact O-CG 3.23Å; K1008-D1012 PolarHBondContact O-N 3.19Å; T1009-D1012 PolarHBondContact O-N 2.66Å; D1012-N1015 PolarHBondContact O-N 3.37Å; D1012-A1016 WeakPolarHBondContact O-CB 3.36Å; D1012-A1016 PolarHBondContact O-N 3.5Å |
| 1013 | L | 90.2 | Very high | 88.4 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.1 | -77.6 | 177 | 0 | 0 | 0 | 112.6 | L915 W925 T1009 L1010 H1011 N1015 A1016 S1017 L1021 | L915-L1013 HydrophobicContact CD1-CD2 3.73Å; L915-L1013 HydrophobicContact CD2-CD1 4.36Å; L915-L1013 HydrophobicContact CD2-CD2 3.84Å; L915-L1013 HydrophobicContact CG-CD2 4.46Å; W925-L1013 HydrophobicContact CZ2-CD1 3.99Å; T1009-L1013 HydrophobicContact CG2-CD1 4.39Å; T1009-L1013 WeakPolarHBondContact O-CB 3.41Å; T1009-L1013 WeakPolarHBondContact O-CG 3.43Å; T1009-L1013 PolarHBondContact O-N 2.97Å; L1010-L1013 PolarHBondContact O-N 3.25Å; H1011-L1013 PolarHBondContact O-N 3.43Å; L1013-N1015 VanDerWaalsContact C-N 3.34Å; L1013-A1016 PolarHBondContact O-N 3.29Å; L1013-S1017 PolarHBondContact O-N 2.94Å; L1013-S1017 VanDerWaalsContact O-N 3.1Å; L1013-L1021 HydrophobicContact CB-CD2 4.25Å |
| 1014 | S | 89.7 | Confident | 88 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.8 | -141.7 | 0 | 0 | 0 | 0 | 111.4 | L1010 H1011 A1016 S1017 P1018 I1048 N1049 | L1010-S1014 PolarHBondContact O-N 3.14Å; H1011-S1014 WeakPolarHBondContact O-CB 3.34Å; H1011-S1014 PolarHBondContact O-N 3.3Å; S1014-A1016 VanDerWaalsContact C-N 3.32Å; S1014-A1016 PolarHBondContact O-N 3.48Å; S1014-S1017 CarbonylContact O-C 3.14Å; S1014-S1017 PolarHBondContact O-N 3.06Å; S1014-P1018 VanDerWaalsContact O-CA 3.24Å; S1014-P1018 WeakPolarHBondContact O-CA 3.45Å; S1014-I1048 WeakPolarHBondContact OG-CG2 3.29Å; S1014-N1049 PolarHBondContact OG-N 2.83Å; S1014-N1049 PolarHBondContact OG-O 3.33Å |
| 1015 | N | 88.9 | Confident | 87.8 | Confident | 69 Ų | 69 | 46 Ų | 46 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 177.4 | -69.2 | -26.4 | 0 | 0 | 0 | 112.3 | H1011 D1012 L1013 S1017 N1049 | H1011-N1015 PolarHBondContact CD2-ND2 2.82Å; H1011-N1015 PolarHBondContact CE1-ND2 3.05Å; H1011-N1015 VanDerWaalsContact CE1-ND2 3.34Å; H1011-N1015 PolarHBondContact NE2-ND2 3.11Å; H1011-N1015 PolarHBondContact O-N 3.16Å; H1011-N1015 PolarHBondContact O-ND2 3.22Å; D1012-N1015 PolarHBondContact O-N 3.37Å; L1013-N1015 VanDerWaalsContact C-N 3.34Å; N1015-S1017 VanDerWaalsContact C-N 3.31Å; N1015-N1049 PolarHBondContact OD1-ND2 3.36Å |
| 1016 | A | 86.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 50.3 Ų | 50.3 | 65% | 0.645 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -72.3 | -23 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1012 L1013 S1014 | D1012-A1016 WeakPolarHBondContact O-CB 3.36Å; D1012-A1016 PolarHBondContact O-N 3.5Å; L1013-A1016 PolarHBondContact O-N 3.29Å; S1014-A1016 VanDerWaalsContact C-N 3.32Å; S1014-A1016 PolarHBondContact O-N 3.48Å |
| 1017 | S | 82.6 | Confident | 86.9 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -145.7 | 72.5 | 177.7 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | L1013 S1014 N1015 G1019 K1020 | L1013-S1017 PolarHBondContact O-N 2.94Å; L1013-S1017 VanDerWaalsContact O-N 3.1Å; S1014-S1017 CarbonylContact O-C 3.14Å; S1014-S1017 PolarHBondContact O-N 3.06Å; N1015-S1017 VanDerWaalsContact C-N 3.31Å; S1017-G1019 PolarHBondContact O-N 3.18Å; S1017-K1020 PolarHBondContact O-N 3.16Å |
| 1018 | P | 79.4 | Confident | 86.6 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 61% | 0.61 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 135.8 | -173.4 | -27.4 | 35.7 | 0 | 0 | 0 | 112.8 | S1014 K1020 | S1014-P1018 VanDerWaalsContact O-CA 3.24Å; S1014-P1018 WeakPolarHBondContact O-CA 3.45Å; P1018-K1020 PolarHBondContact O-N 3.47Å |
| 1019 | G | 78.4 | Confident | 86.2 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -15.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S1017 V1023 N1049 | S1017-G1019 PolarHBondContact O-N 3.18Å; G1019-V1023 WeakPolarHBondContact O-CG2 3.47Å; G1019-N1049 PolarHBondContact N-O 3.31Å; G1019-N1049 VanDerWaalsContact N-O 3.11Å |
| 1020 | K | 81.2 | Confident | 85.9 | Confident | 100 Ų | 100 | 58.5 Ų | 58.5 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.6 | -43.6 | 176.4 | -67.9 | -165.6 | -178.3 | -175.3 | 0 | 112.5 | D917 S1017 P1018 V1023 | D917-K1020 IonicContact OD2-NZ 3.33Å; D917-K1020 PolarHBondContact OD2-NZ 3.46Å; S1017-K1020 PolarHBondContact O-N 3.16Å; P1018-K1020 PolarHBondContact O-N 3.47Å; K1020-V1023 PolarHBondContact O-N 3.11Å |
| 1021 | L | 84.4 | Confident | 85.6 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | -176.2 | -179.9 | 58.6 | 0 | 0 | 0 | 113 | W925 L1010 L1013 V1023 L1024 L1025 I1048 | W925-L1021 HydrophobicContact CH2-CD1 3.32Å; W925-L1021 HydrophobicContact CZ2-CD1 4.12Å; W925-L1021 HydrophobicContact CZ3-CD1 3.88Å; L1010-L1021 HydrophobicContact CB-CD2 4.42Å; L1010-L1021 HydrophobicContact CD2-CD2 4.39Å; L1010-L1021 VanDerWaalsContact O-CD2 3.23Å; L1010-L1021 WeakPolarHBondContact O-CD2 3.49Å; L1013-L1021 HydrophobicContact CB-CD2 4.25Å; L1021-V1023 VanDerWaalsContact C-N 3.26Å; L1021-V1023 PolarHBondContact O-N 2.95Å; L1021-L1024 PolarHBondContact O-N 2.94Å; L1021-L1024 VanDerWaalsContact O-N 3.12Å; L1021-L1025 HydrophobicContact CD1-CD1 4.01Å; L1021-L1025 HydrophobicContact CD1-CD2 4.29Å; L1021-L1025 HydrophobicContact CD1-CG 3.91Å; L1021-L1025 HydrophobicContact CD2-CD1 4.49Å; L1021-L1025 HydrophobicContact CG-CD1 3.87Å; L1021-L1025 HydrophobicContact CG-CG 4.23Å; L1021-L1025 WeakPolarHBondContact O-CG 3.49Å; L1021-L1025 PolarHBondContact O-N 3.4Å; L1021-I1048 HydrophobicContact CB-CG2 4.37Å; L1021-I1048 HydrophobicContact CD2-CG2 3.96Å; L1021-I1048 HydrophobicContact CG-CG2 4.01Å |
| 1022 | P | 82.7 | Confident | 85.4 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 21% | 0.214 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -53.2 | -40.4 | 174.3 | -28.7 | 34.5 | 0 | 0 | 0 | 114 | L1024 L1025 N1026 I1048 | P1022-L1024 VanDerWaalsContact C-N 3.34Å; P1022-L1024 PolarHBondContact O-N 3.45Å; P1022-L1025 PolarHBondContact O-N 3.47Å; P1022-N1026 WeakPolarHBondContact O-CB 3.27Å; P1022-N1026 PolarHBondContact O-N 3.04Å; P1022-N1026 PolarHBondContact O-ND2 3.19Å; P1022-I1048 HydrophobicContact CG-CG2 3.96Å |
| 1023 | V | 83 | Confident | 85.2 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 63% | 0.63 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 179.7 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | G1019 K1020 L1021 | G1019-V1023 WeakPolarHBondContact O-CG2 3.47Å; K1020-V1023 PolarHBondContact O-N 3.11Å; L1021-V1023 VanDerWaalsContact C-N 3.26Å; L1021-V1023 PolarHBondContact O-N 2.95Å |
| 1024 | L | 84.1 | Confident | 85.1 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 178 | -61.6 | 161.2 | 0 | 0 | 0 | 111.4 | W925 L1021 P1022 N1026 S1027 | W925-L1024 HydrophobicContact CE3-CD1 4.5Å; W925-L1024 HydrophobicContact CZ3-CD1 4.47Å; L1021-L1024 PolarHBondContact O-N 2.94Å; L1021-L1024 VanDerWaalsContact O-N 3.12Å; P1022-L1024 VanDerWaalsContact C-N 3.34Å; P1022-L1024 PolarHBondContact O-N 3.45Å; L1024-N1026 VanDerWaalsContact C-N 3.28Å; L1024-N1026 PolarHBondContact O-N 2.79Å; L1024-S1027 WeakPolarHBondContact O-CB 3.48Å; L1024-S1027 PolarHBondContact O-N 2.87Å; L1024-S1027 PolarHBondContact O-OG 3.29Å |
| 1025 | L | 86 | Confident | 85 | Confident | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.094 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.7 | -33.4 | -179.5 | -64.6 | 176.9 | 0 | 0 | 0 | 111.8 | L929 L1021 P1022 S1027 I1028 L1037 I1048 | L929-L1025 HydrophobicContact CD2-CD2 3.51Å; L1021-L1025 HydrophobicContact CD1-CD1 4.01Å; L1021-L1025 HydrophobicContact CD1-CD2 4.29Å; L1021-L1025 HydrophobicContact CD1-CG 3.91Å; L1021-L1025 HydrophobicContact CD2-CD1 4.49Å; L1021-L1025 HydrophobicContact CG-CD1 3.87Å; L1021-L1025 HydrophobicContact CG-CG 4.23Å; L1021-L1025 WeakPolarHBondContact O-CG 3.49Å; L1021-L1025 PolarHBondContact O-N 3.4Å; P1022-L1025 PolarHBondContact O-N 3.47Å; L1025-S1027 PolarHBondContact O-N 3.46Å; L1025-I1028 HydrophobicContact CD2-CD1 4.06Å; L1025-I1028 WeakPolarHBondContact O-CB 3.48Å; L1025-I1028 VanDerWaalsContact O-CG1 3.31Å; L1025-I1028 WeakPolarHBondContact O-CG1 3.09Å; L1025-I1028 PolarHBondContact O-N 2.92Å; L1025-L1037 HydrophobicContact CD1-CD2 4.22Å; L1025-L1037 HydrophobicContact CD2-CD2 4Å; L1025-I1048 HydrophobicContact CD1-CD1 3.35Å; L1025-I1048 HydrophobicContact CD1-CG2 4.27Å |
| 1026 | N | 84.5 | Confident | 85.1 | Confident | 139 Ų | 139 | 69.9 Ų | 69.9 | 74% | 0.743 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.9 | 174 | -73.7 | -21.1 | 0 | 0 | 0 | 113.7 | P1022 L1024 I1028 | P1022-N1026 WeakPolarHBondContact O-CB 3.27Å; P1022-N1026 PolarHBondContact O-N 3.04Å; P1022-N1026 PolarHBondContact O-ND2 3.19Å; L1024-N1026 VanDerWaalsContact C-N 3.28Å; L1024-N1026 PolarHBondContact O-N 2.79Å; N1026-I1028 VanDerWaalsContact C-N 3.32Å |
| 1027 | S | 86.5 | Confident | 85.2 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -5.4 | 174.9 | 74 | 0 | 0 | 0 | 0 | 113.8 | L926 L1024 L1025 T1029 | L926-S1027 WeakPolarHBondContact CD2-OG 3.34Å; L1024-S1027 WeakPolarHBondContact O-CB 3.48Å; L1024-S1027 PolarHBondContact O-N 2.87Å; L1024-S1027 PolarHBondContact O-OG 3.29Å; L1025-S1027 PolarHBondContact O-N 3.46Å; S1027-T1029 PolarHBondContact O-N 2.67Å |
| 1028 | I | 87.1 | Confident | 85.4 | Confident | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.082 | 39% | 0.392 | C | S | . | . | trans | -70.4 | 117.5 | 174.1 | -59.6 | 173 | 0 | 0 | 0 | 109.1 | L926 M930 L1025 N1026 E1030 I1033 | L926-I1028 HydrophobicContact CD1-CD1 4Å; L926-I1028 HydrophobicContact CD1-CG1 3.76Å; L926-I1028 HydrophobicContact CG-CG1 4.45Å; M930-I1028 HydrophobicContact CE-CG2 4.33Å; M930-I1028 HydrophobicContact CG-CD1 4.45Å; M930-I1028 HydrophobicContact CG-CG1 4.4Å; M930-I1028 HydrophobicContact SD-CG1 4.48Å; M930-I1028 HydrophobicContact SD-CG2 4.46Å; L1025-I1028 HydrophobicContact CD2-CD1 4.06Å; L1025-I1028 WeakPolarHBondContact O-CB 3.48Å; L1025-I1028 VanDerWaalsContact O-CG1 3.31Å; L1025-I1028 WeakPolarHBondContact O-CG1 3.09Å; L1025-I1028 PolarHBondContact O-N 2.92Å; N1026-I1028 VanDerWaalsContact C-N 3.32Å; I1028-E1030 HydrophobicContact CG2-CB 4.45Å; I1028-I1033 HydrophobicContact CD1-CG2 4.31Å; I1028-I1033 HydrophobicContact CG2-CB 4.18Å; I1028-I1033 HydrophobicContact CG2-CG2 4.04Å | ||
| 1029 | T | 85.1 | Confident | 85.8 | Confident | 129 Ų | 129 | 67.6 Ų | 67.6 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | trans | -89.4 | -19.4 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | S1027 Q1031 | S1027-T1029 PolarHBondContact O-N 2.67Å; T1029-Q1031 PolarHBondContact O-N 3.17Å | ||
| 1030 | E | 87.5 | Confident | 86.2 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | trans | -77.5 | 104.7 | -179.6 | -69.3 | -178.7 | -154.4 | 0 | 0 | 111.6 | M930 I1028 S1032 I1033 T1034 | M930-E1030 HydrophobicContact CE-CB 4.28Å; M930-E1030 VanDerWaalsContact CE-CD 3.47Å; M930-E1030 HydrophobicContact CE-CG 3.95Å; M930-E1030 WeakPolarHBondContact CE-OE1 3.4Å; I1028-E1030 HydrophobicContact CG2-CB 4.45Å; E1030-S1032 VanDerWaalsContact C-N 3.27Å; E1030-S1032 PolarHBondContact O-N 3.28Å; E1030-I1033 HydrophobicContact CB-CB 4.36Å; E1030-I1033 HydrophobicContact CB-CD1 4.13Å; E1030-I1033 HydrophobicContact CB-CG1 4.18Å; E1030-I1033 PolarHBondContact O-N 3.07Å; E1030-I1033 VanDerWaalsContact O-N 3.15Å; E1030-I1033 WeakPolarHBondContact OE2-CD1 3.06Å; E1030-T1034 PolarHBondContact O-N 2.65Å; E1030-T1034 PolarHBondContact O-OG1 3Å | ||
| 1031 | Q | 86.8 | Confident | 86.6 | Confident | 158 Ų | 158 | 62.1 Ų | 62.1 | 74% | 0.738 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.9 | -35.9 | -176.4 | -69.5 | -178 | -7.4 | 0 | 0 | 113.8 | T1029 I1033 T1034 I1035 | T1029-Q1031 PolarHBondContact O-N 3.17Å; Q1031-I1033 VanDerWaalsContact C-N 3.32Å; Q1031-I1033 PolarHBondContact O-N 3.11Å; Q1031-T1034 PolarHBondContact O-N 3.08Å; Q1031-I1035 WeakPolarHBondContact O-CB 3.4Å; Q1031-I1035 WeakPolarHBondContact O-CD1 3.31Å; Q1031-I1035 VanDerWaalsContact O-CG1 3.22Å; Q1031-I1035 WeakPolarHBondContact O-CG1 3.43Å; Q1031-I1035 PolarHBondContact O-N 3.29Å |
| 1032 | S | 87.9 | Confident | 86.8 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 59% | 0.587 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 112 | E1030 Y1036 | E1030-S1032 VanDerWaalsContact C-N 3.27Å; E1030-S1032 PolarHBondContact O-N 3.28Å; S1032-Y1036 WeakPolarHBondContact O-CB 3.26Å; S1032-Y1036 PolarHBondContact O-N 3.27Å |
| 1033 | I | 87.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 178.4 | -65.4 | -176 | 0 | 0 | 0 | 110.2 | M930 I933 I1028 E1030 Q1031 I1035 Y1036 L1037 | M930-I1033 HydrophobicContact CB-CD1 3.76Å; M930-I1033 HydrophobicContact CE-CD1 3.7Å; M930-I1033 HydrophobicContact CG-CD1 3.99Å; I933-I1033 HydrophobicContact CB-CG2 4.19Å; I933-I1033 HydrophobicContact CD1-CG2 3.75Å; I933-I1033 HydrophobicContact CG2-CB 4.43Å; I933-I1033 HydrophobicContact CG2-CG1 4.48Å; I933-I1033 HydrophobicContact CG2-CG2 3.85Å; I1028-I1033 HydrophobicContact CD1-CG2 4.31Å; I1028-I1033 HydrophobicContact CG2-CB 4.18Å; I1028-I1033 HydrophobicContact CG2-CG2 4.04Å; E1030-I1033 HydrophobicContact CB-CB 4.36Å; E1030-I1033 HydrophobicContact CB-CD1 4.13Å; E1030-I1033 HydrophobicContact CB-CG1 4.18Å; E1030-I1033 PolarHBondContact O-N 3.07Å; E1030-I1033 VanDerWaalsContact O-N 3.15Å; E1030-I1033 WeakPolarHBondContact OE2-CD1 3.06Å; Q1031-I1033 VanDerWaalsContact C-N 3.32Å; Q1031-I1033 PolarHBondContact O-N 3.11Å; I1033-I1035 VanDerWaalsContact C-N 3.35Å; I1033-I1035 PolarHBondContact O-N 3.44Å; I1033-Y1036 PolarHBondContact O-N 3.25Å; I1033-L1037 VanDerWaalsContact O-CB 3.29Å; I1033-L1037 WeakPolarHBondContact O-CB 3.13Å; I1033-L1037 PolarHBondContact O-N 3.07Å |
| 1034 | T | 87.5 | Confident | 86.8 | Confident | 66 Ų | 66 | 68.9 Ų | 68.9 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 179.6 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | E1030 Q1031 K1038 | E1030-T1034 PolarHBondContact O-N 2.65Å; E1030-T1034 PolarHBondContact O-OG1 3Å; Q1031-T1034 PolarHBondContact O-N 3.08Å; T1034-K1038 WeakPolarHBondContact O-CB 3.26Å; T1034-K1038 PolarHBondContact O-N 2.95Å |
| 1035 | I | 88.5 | Confident | 86.9 | Confident | 117 Ų | 117 | 75.4 Ų | 75.4 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.1 | -47.7 | 176.9 | -69.1 | 165.9 | 0 | 0 | 0 | 110.7 | Q1031 I1033 L1037 K1038 S1039 | Q1031-I1035 WeakPolarHBondContact O-CB 3.4Å; Q1031-I1035 WeakPolarHBondContact O-CD1 3.31Å; Q1031-I1035 VanDerWaalsContact O-CG1 3.22Å; Q1031-I1035 WeakPolarHBondContact O-CG1 3.43Å; Q1031-I1035 PolarHBondContact O-N 3.29Å; I1033-I1035 VanDerWaalsContact C-N 3.35Å; I1033-I1035 PolarHBondContact O-N 3.44Å; I1035-L1037 PolarHBondContact O-N 3.39Å; I1035-K1038 PolarHBondContact O-N 2.86Å; I1035-S1039 PolarHBondContact O-N 3.35Å |
| 1036 | Y | 89.2 | Confident | 86.8 | Confident | 24 Ų | 24 | 76.6 Ų | 76.6 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 180 | -173.4 | -91.7 | 0 | 0 | 0 | 111.7 | I933 L936 A937 E945 R1003 S1032 I1033 K1038 S1039 L1040 | I933-Y1036 HydrophobicContact CG2-CD1 3.62Å; I933-Y1036 HydrophobicContact CG2-CE1 4.33Å; I933-Y1036 HydrophobicContact CG2-CG 4.37Å; L936-Y1036 HydrophobicContact CB-CE1 4.44Å; L936-Y1036 PolarHBondContact O-OH 2.81Å; A937-Y1036 HydrophobicContact CB-CD1 4.27Å; A937-Y1036 HydrophobicContact CB-CD2 3.79Å; A937-Y1036 HydrophobicContact CB-CE1 4.1Å; A937-Y1036 HydrophobicContact CB-CE2 3.63Å; A937-Y1036 HydrophobicContact CB-CG 4.1Å; E945-Y1036 HydrophobicContact CG-CE2 4.43Å; E945-Y1036 WeakPolarHBondContact OE1-CE2 3.47Å; R1003-Y1036 WeakPolarHBondContact CD-OH 3.1Å; S1032-Y1036 WeakPolarHBondContact O-CB 3.26Å; S1032-Y1036 PolarHBondContact O-N 3.27Å; I1033-Y1036 PolarHBondContact O-N 3.25Å; Y1036-K1038 PolarHBondContact O-N 3.08Å; Y1036-S1039 WeakPolarHBondContact O-CB 3.49Å; Y1036-S1039 PolarHBondContact O-N 2.95Å; Y1036-L1040 HydrophobicContact CD1-CD1 4.44Å; Y1036-L1040 HydrophobicContact CE1-CD1 3.79Å; Y1036-L1040 VanDerWaalsContact O-CB 3.27Å; Y1036-L1040 WeakPolarHBondContact O-CB 3.29Å; Y1036-L1040 PolarHBondContact O-N 3.47Å |
| 1037 | L | 88.4 | Confident | 86.6 | Confident | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.5 | -179.1 | 60.7 | 0 | 0 | 0 | 111.6 | I933 L1010 L1025 I1033 I1035 L1040 M1041 | I933-L1037 HydrophobicContact CD1-CB 4.33Å; I933-L1037 HydrophobicContact CD1-CD1 4.16Å; I933-L1037 HydrophobicContact CD1-CD2 4.36Å; L1010-L1037 HydrophobicContact CD1-CD1 3.66Å; L1025-L1037 HydrophobicContact CD1-CD2 4.22Å; L1025-L1037 HydrophobicContact CD2-CD2 4Å; I1033-L1037 VanDerWaalsContact O-CB 3.29Å; I1033-L1037 WeakPolarHBondContact O-CB 3.13Å; I1033-L1037 PolarHBondContact O-N 3.07Å; I1035-L1037 PolarHBondContact O-N 3.39Å; L1037-L1040 HydrophobicContact CD1-CD2 4.49Å; L1037-L1040 PolarHBondContact O-N 3.44Å; L1037-M1041 HydrophobicContact CD1-CG 4.37Å; L1037-M1041 WeakPolarHBondContact O-CG 3.44Å; L1037-M1041 PolarHBondContact O-N 3.35Å |
| 1038 | K | 87.6 | Confident | 86.2 | Confident | 134 Ų | 134 | 73.1 Ų | 73.1 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61 | -47.7 | 176.3 | -175.4 | 175.9 | 173.9 | -179.4 | 0 | 111.5 | T1034 I1035 Y1036 L1040 M1041 E1042 | T1034-K1038 WeakPolarHBondContact O-CB 3.26Å; T1034-K1038 PolarHBondContact O-N 2.95Å; I1035-K1038 PolarHBondContact O-N 2.86Å; Y1036-K1038 PolarHBondContact O-N 3.08Å; K1038-L1040 VanDerWaalsContact C-N 3.3Å; K1038-L1040 PolarHBondContact O-N 3Å; K1038-M1041 PolarHBondContact O-N 2.93Å; K1038-E1042 WeakPolarHBondContact CE-OE1 3.47Å; K1038-E1042 WeakPolarHBondContact O-CB 3.13Å; K1038-E1042 WeakPolarHBondContact O-CG 3.5Å; K1038-E1042 PolarHBondContact O-N 3.31Å |
| 1039 | S | 87.7 | Confident | 85.4 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -56.8 | -43 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 112 | I1035 Y1036 E1042 R1043 | I1035-S1039 PolarHBondContact O-N 3.35Å; Y1036-S1039 WeakPolarHBondContact O-CB 3.49Å; Y1036-S1039 PolarHBondContact O-N 2.95Å; S1039-E1042 PolarHBondContact O-N 3.32Å; S1039-R1043 VanDerWaalsContact O-CB 3.29Å; S1039-R1043 WeakPolarHBondContact O-CB 3.33Å; S1039-R1043 VanDerWaalsContact O-CG 3.26Å; S1039-R1043 WeakPolarHBondContact O-CG 3.37Å; S1039-R1043 PolarHBondContact O-N 3.39Å |
| 1040 | L | 87.8 | Confident | 85.4 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | -179.9 | -179.3 | 146.3 | 0 | 0 | 0 | 112.5 | R1003 L1006 A1007 Y1036 L1037 K1038 S1044 | R1003-L1040 HydrophobicContact CB-CD1 3.71Å; R1003-L1040 HydrophobicContact CB-CG 4.38Å; R1003-L1040 HydrophobicContact CG-CD1 4.31Å; L1006-L1040 HydrophobicContact CD2-CD1 4.4Å; A1007-L1040 HydrophobicContact CB-CD2 3.5Å; Y1036-L1040 HydrophobicContact CD1-CD1 4.44Å; Y1036-L1040 HydrophobicContact CE1-CD1 3.79Å; Y1036-L1040 VanDerWaalsContact O-CB 3.27Å; Y1036-L1040 WeakPolarHBondContact O-CB 3.29Å; Y1036-L1040 PolarHBondContact O-N 3.47Å; L1037-L1040 HydrophobicContact CD1-CD2 4.49Å; L1037-L1040 PolarHBondContact O-N 3.44Å; K1038-L1040 VanDerWaalsContact C-N 3.3Å; K1038-L1040 PolarHBondContact O-N 3Å; L1040-S1044 WeakPolarHBondContact O-CB 3.45Å; L1040-S1044 PolarHBondContact O-N 2.86Å; L1040-S1044 VanDerWaalsContact O-N 3.12Å; L1040-S1044 PolarHBondContact O-OG 3.38Å |
| 1041 | M | 88.6 | Confident | 85.3 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 6% | 0.064 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 175 | -65.9 | -62 | -57.7 | 0 | 0 | 111.7 | A1007 L1037 K1038 S1044 Q1045 L1046 I1048 | A1007-M1041 HydrophobicContact CB-SD 4.01Å; L1037-M1041 HydrophobicContact CD1-CG 4.37Å; L1037-M1041 WeakPolarHBondContact O-CG 3.44Å; L1037-M1041 PolarHBondContact O-N 3.35Å; K1038-M1041 PolarHBondContact O-N 2.93Å; M1041-S1044 CarbonylContact O-C 3.43Å; M1041-S1044 PolarHBondContact O-N 3.03Å; M1041-Q1045 PolarHBondContact O-N 3.33Å; M1041-Q1045 VanDerWaalsContact O-N 3.07Å; M1041-L1046 HydrophobicContact CE-CB 3.72Å; M1041-L1046 WeakPolarHBondContact CE-O 3.18Å; M1041-L1046 PolarHBondContact O-N 2.81Å; M1041-L1046 VanDerWaalsContact O-N 3.13Å; M1041-I1048 HydrophobicContact CE-CD1 4.17Å; M1041-I1048 HydrophobicContact CE-CG1 3.55Å; M1041-I1048 HydrophobicContact CG-CD1 4.41Å; M1041-I1048 HydrophobicContact SD-CD1 4.18Å; M1041-I1048 HydrophobicContact SD-CG1 4.22Å |
| 1042 | E | 88.4 | Confident | 85.2 | Confident | 123 Ų | 123 | 69.3 Ų | 69.3 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.2 | -47.5 | 177 | -74.4 | 174.2 | 180 | 0 | 0 | 111.8 | K1038 S1039 S1044 Q1045 | K1038-E1042 WeakPolarHBondContact CE-OE1 3.47Å; K1038-E1042 WeakPolarHBondContact O-CB 3.13Å; K1038-E1042 WeakPolarHBondContact O-CG 3.5Å; K1038-E1042 PolarHBondContact O-N 3.31Å; S1039-E1042 PolarHBondContact O-N 3.32Å; E1042-S1044 PolarHBondContact O-N 3.29Å; E1042-Q1045 PolarHBondContact O-N 3.15Å; E1042-Q1045 VanDerWaalsContact O-N 3.07Å |
| 1043 | R | 83.3 | Confident | 85 | Confident | 141 Ų | 141 | 68.4 Ų | 68.4 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.2 | -32.2 | 175.3 | -77.3 | 177.1 | 175.5 | 175.4 | 2.2 | 112.3 | E945 S1039 | E945-R1043 IonicContact OE1-NH1 3.63Å; E945-R1043 IonicContact OE2-CZ 2.69Å; E945-R1043 IonicContact OE2-NH1 3.65Å; E945-R1043 PolarHBondContact OE2-NH1 2.71Å; E945-R1043 IonicContact OE2-NH2 3.67Å; E945-R1043 PolarHBondContact OE2-NH2 3.21Å; S1039-R1043 VanDerWaalsContact O-CB 3.29Å; S1039-R1043 WeakPolarHBondContact O-CB 3.33Å; S1039-R1043 VanDerWaalsContact O-CG 3.26Å; S1039-R1043 WeakPolarHBondContact O-CG 3.37Å; S1039-R1043 PolarHBondContact O-N 3.39Å |
| 1044 | S | 83 | Confident | 84.9 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -4.5 | 179.3 | -52.8 | 0 | 0 | 0 | 0 | 113.7 | A1007 L1040 M1041 E1042 L1046 | A1007-S1044 VanDerWaalsContact CB-OG 3.22Å; A1007-S1044 WeakPolarHBondContact CB-OG 3.34Å; L1040-S1044 WeakPolarHBondContact O-CB 3.45Å; L1040-S1044 PolarHBondContact O-N 2.86Å; L1040-S1044 VanDerWaalsContact O-N 3.12Å; L1040-S1044 PolarHBondContact O-OG 3.38Å; M1041-S1044 CarbonylContact O-C 3.43Å; M1041-S1044 PolarHBondContact O-N 3.03Å; E1042-S1044 PolarHBondContact O-N 3.29Å; S1044-L1046 VanDerWaalsContact C-N 3.28Å; S1044-L1046 PolarHBondContact O-N 3.09Å |
| 1045 | Q | 85 | Confident | 84.7 | Confident | 181 Ų | 181 | 72.9 Ų | 72.9 | 85% | 0.846 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 37.1 | -175.6 | -56.3 | -179.2 | -2.9 | 0 | 0 | 113.8 | M1041 E1042 | M1041-Q1045 PolarHBondContact O-N 3.33Å; M1041-Q1045 VanDerWaalsContact O-N 3.07Å; E1042-Q1045 PolarHBondContact O-N 3.15Å; E1042-Q1045 VanDerWaalsContact O-N 3.07Å |
| 1046 | L | 85.5 | Confident | 84.4 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | trans | -119.6 | 152.6 | -179.4 | -67 | 172.1 | 0 | 0 | 0 | 111 | A1007 K1008 H1011 M1041 S1044 | A1007-L1046 HydrophobicContact CB-CD1 4.09Å; K1008-L1046 HydrophobicContact CB-CD1 4.08Å; H1011-L1046 HydrophobicContact CB-CB 4.22Å; H1011-L1046 HydrophobicContact CB-CD1 4.15Å; H1011-L1046 HydrophobicContact CB-CD2 4.43Å; M1041-L1046 HydrophobicContact CE-CB 3.72Å; M1041-L1046 WeakPolarHBondContact CE-O 3.18Å; M1041-L1046 PolarHBondContact O-N 2.81Å; M1041-L1046 VanDerWaalsContact O-N 3.13Å; S1044-L1046 VanDerWaalsContact C-N 3.28Å; S1044-L1046 PolarHBondContact O-N 3.09Å | ||
| 1047 | C | 80.1 | Confident | 84.1 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 57% | 0.568 | 36% | 0.363 | S | S | * | . | trans | -122.8 | 152.2 | 179.5 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | H1011 | H1011-C1047 PolarHBondContact ND1-O 3.18Š| ||
| 1048 | I | 78.1 | Confident | 83.7 | Confident | 46 Ų | 46 | 78.3 Ų | 78.3 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | trans | -100.7 | 118.9 | 175 | -58.3 | -172 | 0 | 0 | 0 | 107.4 | L1010 S1014 L1021 P1022 L1025 M1041 | L1010-I1048 HydrophobicContact CB-CD1 4.47Å; S1014-I1048 WeakPolarHBondContact OG-CG2 3.29Å; L1021-I1048 HydrophobicContact CB-CG2 4.37Å; L1021-I1048 HydrophobicContact CD2-CG2 3.96Å; L1021-I1048 HydrophobicContact CG-CG2 4.01Å; P1022-I1048 HydrophobicContact CG-CG2 3.96Å; L1025-I1048 HydrophobicContact CD1-CD1 3.35Å; L1025-I1048 HydrophobicContact CD1-CG2 4.27Å; M1041-I1048 HydrophobicContact CE-CD1 4.17Å; M1041-I1048 HydrophobicContact CE-CG1 3.55Å; M1041-I1048 HydrophobicContact CG-CD1 4.41Å; M1041-I1048 HydrophobicContact SD-CD1 4.18Å; M1041-I1048 HydrophobicContact SD-CG1 4.22Å | ||
| 1049 | N | 69.4 | Low | 83.3 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 58% | 0.578 | 37% | 0.37 | S | S | * | . | trans | -95.7 | 0 | -174.5 | -69.4 | -31.8 | 0 | 0 | 0 | 114 | S1014 N1015 G1019 | S1014-N1049 PolarHBondContact OG-N 2.83Å; S1014-N1049 PolarHBondContact OG-O 3.33Å; N1015-N1049 PolarHBondContact OD1-ND2 3.36Å; G1019-N1049 PolarHBondContact N-O 3.31Å; G1019-N1049 VanDerWaalsContact N-O 3.11Å |
Retrieved 1,049 of 1,049 residues in 426 ms
(Link to these results)