| 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 | L | 98.1 | Very high | 98.7 | Very high | 93 Ų | 93 | 58.1 Ų | 58.1 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | 0 | -74.5 | 0 | -172.3 | 69.2 | 0 | 0 | 0 | 111.2 | I3 T4 T5 L197 | L1-I3 PolarHBondContact O-N 3.41Å; L1-T4 PolarHBondContact O-N 3.01Å; L1-T4 VanDerWaalsContact O-N 3.11Å; L1-T5 HydrophobicContact CD1-CG2 4.16Å; L1-T5 PolarHBondContact O-N 3.36Å; L1-T5 PolarHBondContact O-OG1 3.48Å; L1-L197 HydrophobicContact CD1-CD2 4.48Å; L1-L197 HydrophobicContact CD2-CD2 3.39Å | |||
| 2 | Q | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.1 | -45.8 | -172.4 | -63.6 | -51.7 | 95.7 | 0 | 0 | 114.7 | T4 T5 G6 H41 F48 | Q2-T4 VanDerWaalsContact C-N 3.34Å; Q2-T4 PolarHBondContact O-N 3.42Å; Q2-T5 PolarHBondContact O-OG1 3Å; Q2-G6 WeakPolarHBondContact O-CA 3.32Å; Q2-G6 PolarHBondContact O-N 3.47Å; Q2-H41 PolarHBondContact NE2-O 3.01Å; Q2-H41 PolarHBondContact O-CE1 2.86Å; Q2-H41 VanDerWaalsContact O-CE1 3.27Å; Q2-H41 PolarHBondContact O-ND1 2.85Å; Q2-F48 HydrophobicContact CG-CD2 4.12Å |
| 3 | I | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 57.2 Ų | 57.2 | 30% | 0.303 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 177.5 | -65.8 | 173.2 | 0 | 0 | 0 | 110.4 | L1 L7 P144 F145 | L1-I3 PolarHBondContact O-N 3.41Å; I3-L7 HydrophobicContact CG2-CD1 3.87Å; I3-L7 HydrophobicContact CG2-CG 4.42Å; I3-L7 WeakPolarHBondContact O-CB 3.36Å; I3-L7 WeakPolarHBondContact O-CG 3.46Å; I3-L7 PolarHBondContact O-N 2.89Å; I3-P144 HydrophobicContact CD1-CB 4.36Å; I3-P144 HydrophobicContact CG1-CB 3.82Å; I3-F145 HydrophobicContact CG2-CE1 3.83Å; I3-F145 HydrophobicContact CG2-CZ 3.95Å |
| 4 | T | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -55.2 | -178.7 | -46.9 | 0 | 0 | 0 | 0 | 111.4 | L1 Q2 G6 L7 F8 | L1-T4 PolarHBondContact O-N 3.01Å; L1-T4 VanDerWaalsContact O-N 3.11Å; Q2-T4 VanDerWaalsContact C-N 3.34Å; Q2-T4 PolarHBondContact O-N 3.42Å; T4-G6 VanDerWaalsContact C-N 3.29Å; T4-G6 PolarHBondContact O-N 3.31Å; T4-L7 PolarHBondContact O-N 2.81Å; T4-F8 HydrophobicContact CG2-CD2 4.27Å; T4-F8 HydrophobicContact CG2-CE2 4.15Å; T4-F8 WeakPolarHBondContact O-CD2 3.4Å; T4-F8 PolarHBondContact O-N 2.73Å |
| 5 | T | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | -179.7 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | L1 Q2 L7 F8 L9 I37 L40 H41 | L1-T5 HydrophobicContact CD1-CG2 4.16Å; L1-T5 PolarHBondContact O-N 3.36Å; L1-T5 PolarHBondContact O-OG1 3.48Å; Q2-T5 PolarHBondContact O-OG1 3Å; T5-L7 PolarHBondContact O-N 3.02Å; T5-F8 PolarHBondContact O-N 2.96Å; T5-L9 VanDerWaalsContact O-CG 3.26Å; T5-L9 WeakPolarHBondContact O-CG 3.32Å; T5-L9 PolarHBondContact O-N 3.02Å; T5-I37 HydrophobicContact CG2-CG2 4.31Å; T5-L40 HydrophobicContact CG2-CB 4.14Å; T5-H41 PolarHBondContact OG1-ND1 3.47Å |
| 6 | G | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q2 T4 L9 A10 H41 | Q2-G6 WeakPolarHBondContact O-CA 3.32Å; Q2-G6 PolarHBondContact O-N 3.47Å; T4-G6 VanDerWaalsContact C-N 3.29Å; T4-G6 PolarHBondContact O-N 3.31Å; G6-L9 PolarHBondContact O-N 3.29Å; G6-A10 VanDerWaalsContact O-CB 3.3Å; G6-A10 WeakPolarHBondContact O-CB 3.45Å; G6-A10 PolarHBondContact O-N 3.03Å; G6-H41 VanDerWaalsContact CA-CE1 3.47Å; G6-H41 WeakPolarHBondContact CA-CE1 3.28Å; G6-H41 PolarHBondContact N-ND1 3.35Å |
| 7 | L | 98.8 | Very high | 98.3 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.8 | -77.3 | 168.8 | 0 | 0 | 0 | 111.9 | I3 T4 T5 L9 A10 M11 F141 F145 | I3-L7 HydrophobicContact CG2-CD1 3.87Å; I3-L7 HydrophobicContact CG2-CG 4.42Å; I3-L7 WeakPolarHBondContact O-CB 3.36Å; I3-L7 WeakPolarHBondContact O-CG 3.46Å; I3-L7 PolarHBondContact O-N 2.89Å; T4-L7 PolarHBondContact O-N 2.81Å; T5-L7 PolarHBondContact O-N 3.02Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L7-L9 PolarHBondContact O-N 3.41Å; L7-A10 PolarHBondContact O-N 2.89Å; L7-M11 WeakPolarHBondContact O-CG 3.36Å; L7-M11 PolarHBondContact O-N 2.76Å; L7-F141 HydrophobicContact CD2-CE2 3.67Å; L7-F141 HydrophobicContact CD2-CZ 3.58Å; L7-F145 HydrophobicContact CD2-CZ 4.48Å |
| 8 | F | 98.8 | Very high | 98.3 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 45% | 0.452 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 176.5 | -82.7 | -84.3 | 0 | 0 | 0 | 112.3 | T4 T5 M11 H12 I37 | T4-F8 HydrophobicContact CG2-CD2 4.27Å; T4-F8 HydrophobicContact CG2-CE2 4.15Å; T4-F8 WeakPolarHBondContact O-CD2 3.4Å; T4-F8 PolarHBondContact O-N 2.73Å; T5-F8 PolarHBondContact O-N 2.96Å; F8-M11 HydrophobicContact CD1-SD 4.36Å; F8-M11 PolarHBondContact O-N 3.43Å; F8-H12 PolarHBondContact O-CD2 2.88Å; F8-I37 HydrophobicContact CB-CD1 4.32Å; F8-I37 HydrophobicContact CB-CG2 4.14Å |
| 9 | L | 98.9 | Very high | 98.3 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 173.8 | -67.3 | 169.7 | 0 | 0 | 0 | 111.7 | T5 G6 L7 M11 H12 Y13 I27 I37 R38 H41 | T5-L9 VanDerWaalsContact O-CG 3.26Å; T5-L9 WeakPolarHBondContact O-CG 3.32Å; T5-L9 PolarHBondContact O-N 3.02Å; G6-L9 PolarHBondContact O-N 3.29Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L7-L9 PolarHBondContact O-N 3.41Å; L9-M11 PolarHBondContact O-N 3.34Å; L9-H12 PolarHBondContact O-N 2.82Å; L9-Y13 WeakPolarHBondContact O-CB 3.5Å; L9-Y13 PolarHBondContact O-N 3.46Å; L9-Y13 VanDerWaalsContact O-N 3.11Å; L9-I27 HydrophobicContact CD2-CD1 4.32Å; L9-I27 HydrophobicContact CD2-CG2 3.55Å; L9-I37 HydrophobicContact CD2-CG2 4.01Å; L9-I37 HydrophobicContact CG-CG2 3.92Å; L9-R38 HydrophobicContact CD2-CB 4.05Å; L9-H41 HydrophobicContact CD1-CB 3.52Å |
| 10 | A | 98.7 | Very high | 98.3 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 20% | 0.198 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -27.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G6 L7 H12 F137 F141 | G6-A10 VanDerWaalsContact O-CB 3.3Å; G6-A10 WeakPolarHBondContact O-CB 3.45Å; G6-A10 PolarHBondContact O-N 3.03Å; L7-A10 PolarHBondContact O-N 2.89Å; A10-H12 PolarHBondContact O-N 2.8Å; A10-F137 HydrophobicContact CB-CE2 4.17Å; A10-F137 HydrophobicContact CB-CZ 4.09Å; A10-F141 HydrophobicContact CB-CD2 4.37Å; A10-F141 HydrophobicContact CB-CE2 4.21Å |
| 11 | M | 98.7 | Very high | 98.3 | Very high | 130 Ų | 130 | 52.2 Ų | 52.2 | 64% | 0.64 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.4 | 174.8 | -67.2 | 173.6 | -170.9 | 0 | 0 | 113.6 | L7 F8 L9 | L7-M11 WeakPolarHBondContact O-CG 3.36Å; L7-M11 PolarHBondContact O-N 2.76Å; F8-M11 HydrophobicContact CD1-SD 4.36Å; F8-M11 PolarHBondContact O-N 3.43Å; L9-M11 PolarHBondContact O-N 3.34Å |
| 12 | H | 98.6 | Very high | 98.3 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.38 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -3.4 | -175 | -61.8 | -68.4 | 0 | 0 | 0 | 113.6 | F8 L9 A10 I27 V31 | F8-H12 PolarHBondContact O-CD2 2.88Å; L9-H12 PolarHBondContact O-N 2.82Å; A10-H12 PolarHBondContact O-N 2.8Å; H12-I27 HydrophobicContact CB-CD1 3.83Å; H12-I27 HydrophobicContact CB-CG1 3.48Å; H12-I27 VanDerWaalsContact CB-CG1 3.48Å; H12-V31 HydrophobicContact CB-CG2 4.46Å |
| 13 | Y | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | trans | -92.4 | 143.1 | -176.3 | 175.1 | -107.3 | 0 | 0 | 0 | 111.8 | L9 P15 A20 S23 I24 L91 L133 F137 | L9-Y13 WeakPolarHBondContact O-CB 3.5Å; L9-Y13 PolarHBondContact O-N 3.46Å; L9-Y13 VanDerWaalsContact O-N 3.11Å; Y13-P15 HydrophobicContact CD1-CB 4.42Å; Y13-P15 HydrophobicContact CE1-CB 3.7Å; Y13-A20 HydrophobicContact CE2-CB 3.96Å; Y13-S23 VanDerWaalsContact CD2-OG 3.25Å; Y13-S23 WeakPolarHBondContact CD2-OG 3.41Å; Y13-I24 HydrophobicContact CD2-CD1 3.72Å; Y13-I24 HydrophobicContact CD2-CG1 4.1Å; Y13-I24 HydrophobicContact CE2-CD1 4.17Å; Y13-I24 HydrophobicContact CE2-CG1 4.19Å; Y13-L91 HydrophobicContact CE1-CB 4.43Å; Y13-L91 HydrophobicContact CE2-CB 4.4Å; Y13-L91 WeakPolarHBondContact CE2-O 3.32Å; Y13-L91 PolarHBondContact OH-O 3.34Å; Y13-L133 WeakPolarHBondContact OH-CD1 3.34Å; Y13-F137 AromaticContact CD1-CD2 3.64Å; Y13-F137 HydrophobicContact CD1-CD2 3.64Å; Y13-F137 AromaticContact CD1-CE2 3.65Å; Y13-F137 HydrophobicContact CD1-CE2 3.65Å; Y13-F137 HydrophobicContact CD1-CG 4.31Å; Y13-F137 HydrophobicContact CD1-CZ 4.34Å; Y13-F137 HydrophobicContact CE1-CB 4.31Å; Y13-F137 AromaticContact CE1-CD2 3.6Å; Y13-F137 HydrophobicContact CE1-CD2 3.6Å; Y13-F137 HydrophobicContact CE1-CE2 4.13Å; Y13-F137 HydrophobicContact CE1-CG 4.01Å | ||
| 14 | S | 98.2 | Very high | 98.3 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | trans | -118.1 | 113 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | D16 T19 A20 S23 | S14-D16 PolarHBondContact O-N 3.35Å; S14-T19 WeakPolarHBondContact CB-OG1 3.4Å; S14-T19 PolarHBondContact OG-OG1 3.38Å; S14-A20 VanDerWaalsContact O-CA 3.25Å; S14-A20 WeakPolarHBondContact O-CA 3.47Å; S14-S23 PolarHBondContact N-OG 3.4Å | ||
| 15 | P | 96.9 | Very high | 98.3 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | trans | -84.3 | 53.9 | -173.5 | 36.4 | -38.4 | 0 | 0 | 0 | 113.3 | Y13 T134 F137 | Y13-P15 HydrophobicContact CD1-CB 4.42Å; Y13-P15 HydrophobicContact CE1-CB 3.7Å; P15-T134 PolarHBondContact O-OG1 3.5Å; P15-F137 HydrophobicContact CB-CB 3.79Å; P15-F137 HydrophobicContact CB-CD1 3.95Å; P15-F137 HydrophobicContact CB-CG 3.91Å; P15-F137 HydrophobicContact CG-CD1 3.92Å; P15-F137 HydrophobicContact CG-CE1 4.42Å; P15-F137 HydrophobicContact CG-CG 4.38Å | ||
| 16 | D | 96.9 | Very high | 98.3 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -128.9 | 139.4 | 174.1 | 175 | -96.6 | 0 | 0 | 0 | 110.8 | S14 S18 T19 A20 S130 | S14-D16 PolarHBondContact O-N 3.35Å; D16-S18 PolarHBondContact O-N 3.06Å; D16-S18 VanDerWaalsContact O-N 3.07Å; D16-S18 VanDerWaalsContact OD1-CB 3.29Å; D16-S18 WeakPolarHBondContact OD1-CB 3.36Å; D16-S18 PolarHBondContact OD1-N 3.21Å; D16-S18 PolarHBondContact OD1-OG 3.32Å; D16-T19 CarbonylContact O-C 3.6Å; D16-T19 PolarHBondContact O-N 3.44Å; D16-A20 VanDerWaalsContact O-CB 3.28Å; D16-A20 WeakPolarHBondContact O-CB 3.3Å; D16-A20 PolarHBondContact O-N 2.82Å; D16-S130 PolarHBondContact OD2-OG 2.86Å |
| 17 | A | 96.1 | Very high | 98.3 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | W93 S130 | A17-W93 HydrophobicContact CB-CZ2 3.79Å; A17-S130 VanDerWaalsContact CB-OG 3.24Å; A17-S130 WeakPolarHBondContact CB-OG 3.5Å; A17-S130 PolarHBondContact N-OG 3.24Å |
| 18 | S | 97.5 | Very high | 98.3 | Very high | 97 Ų | 97 | 46.2 Ų | 46.2 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -20.7 | 178.2 | 73.8 | 0 | 0 | 0 | 0 | 113.8 | D16 | D16-S18 PolarHBondContact O-N 3.06Å; D16-S18 VanDerWaalsContact O-N 3.07Å; D16-S18 VanDerWaalsContact OD1-CB 3.29Å; D16-S18 WeakPolarHBondContact OD1-CB 3.36Å; D16-S18 PolarHBondContact OD1-N 3.21Å; D16-S18 PolarHBondContact OD1-OG 3.32Å |
| 19 | T | 98.2 | Very high | 98.3 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -13.1 | -172.5 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | S14 D16 S22 S23 | S14-T19 WeakPolarHBondContact CB-OG1 3.4Å; S14-T19 PolarHBondContact OG-OG1 3.38Å; D16-T19 CarbonylContact O-C 3.6Å; D16-T19 PolarHBondContact O-N 3.44Å; T19-S22 WeakPolarHBondContact CA-OG 3.45Å; T19-S22 PolarHBondContact O-N 2.92Å; T19-S22 PolarHBondContact O-OG 2.94Å; T19-S23 VanDerWaalsContact O-CB 3.27Å; T19-S23 WeakPolarHBondContact O-CB 3.37Å; T19-S23 PolarHBondContact O-N 3.49Å; T19-S23 PolarHBondContact O-OG 3.46Å |
| 20 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -53.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y13 S14 D16 S22 S23 I24 W93 L133 | Y13-A20 HydrophobicContact CE2-CB 3.96Å; S14-A20 VanDerWaalsContact O-CA 3.25Å; S14-A20 WeakPolarHBondContact O-CA 3.47Å; D16-A20 VanDerWaalsContact O-CB 3.28Å; D16-A20 WeakPolarHBondContact O-CB 3.3Å; D16-A20 PolarHBondContact O-N 2.82Å; A20-S22 PolarHBondContact O-N 3.26Å; A20-S23 PolarHBondContact O-N 3.34Å; A20-S23 PolarHBondContact O-OG 3.13Å; A20-I24 PolarHBondContact O-N 3.35Å; A20-I24 VanDerWaalsContact O-N 3.11Å; A20-W93 HydrophobicContact CB-CB 3.85Å; A20-W93 HydrophobicContact CB-CG 4.43Å; A20-L133 HydrophobicContact CB-CD2 3.54Å |
| 21 | F | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 179.2 | -171.8 | -88.1 | 0 | 0 | 0 | 112.3 | I24 A25 P92 W93 Y214 L216 | F21-I24 PolarHBondContact O-N 2.69Å; F21-A25 PolarHBondContact O-N 2.9Å; F21-A25 VanDerWaalsContact O-N 3.07Å; F21-P92 WeakPolarHBondContact CA-O 3.49Å; F21-P92 VanDerWaalsContact CD2-O 3.31Å; F21-P92 WeakPolarHBondContact CD2-O 3.3Å; F21-W93 HydrophobicContact CB-CB 4.49Å; F21-Y214 WeakPolarHBondContact CZ-O 3.46Å; F21-L216 HydrophobicContact CB-CD1 3.46Å; F21-L216 VanDerWaalsContact CB-CD1 3.46Å; F21-L216 HydrophobicContact CD1-CB 4.35Å; F21-L216 HydrophobicContact CD1-CD1 4.24Å; F21-L216 HydrophobicContact CD2-CB 4.44Å; F21-L216 HydrophobicContact CD2-CD1 4.17Å; F21-L216 HydrophobicContact CE1-CB 4.5Å; F21-L216 HydrophobicContact CG-CB 4.33Å; F21-L216 HydrophobicContact CG-CD1 3.71Å |
| 22 | S | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70 | -32.4 | 178.9 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | T19 A20 A25 H26 | T19-S22 WeakPolarHBondContact CA-OG 3.45Å; T19-S22 PolarHBondContact O-N 2.92Å; T19-S22 PolarHBondContact O-OG 2.94Å; A20-S22 PolarHBondContact O-N 3.26Å; S22-A25 WeakPolarHBondContact O-CB 3.47Å; S22-A25 PolarHBondContact O-N 3.32Å; S22-H26 WeakPolarHBondContact O-CB 3.33Å; S22-H26 PolarHBondContact O-N 3.36Å |
| 23 | S | 98.7 | Very high | 98.2 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 174.4 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | Y13 S14 T19 A20 H26 I27 | Y13-S23 VanDerWaalsContact CD2-OG 3.25Å; Y13-S23 WeakPolarHBondContact CD2-OG 3.41Å; S14-S23 PolarHBondContact N-OG 3.4Å; T19-S23 VanDerWaalsContact O-CB 3.27Å; T19-S23 WeakPolarHBondContact O-CB 3.37Å; T19-S23 PolarHBondContact O-N 3.49Å; T19-S23 PolarHBondContact O-OG 3.46Å; A20-S23 PolarHBondContact O-N 3.34Å; A20-S23 PolarHBondContact O-OG 3.13Å; S23-H26 PolarHBondContact O-N 3.16Å; S23-I27 VanDerWaalsContact O-CG1 3.32Å; S23-I27 WeakPolarHBondContact O-CG1 3.36Å; S23-I27 PolarHBondContact O-N 2.74Å |
| 24 | I | 98.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 171.7 | -66.6 | -58.5 | 0 | 0 | 0 | 111.4 | Y13 A20 F21 I27 T28 P92 | Y13-I24 HydrophobicContact CD2-CD1 3.72Å; Y13-I24 HydrophobicContact CD2-CG1 4.1Å; Y13-I24 HydrophobicContact CE2-CD1 4.17Å; Y13-I24 HydrophobicContact CE2-CG1 4.19Å; A20-I24 PolarHBondContact O-N 3.35Å; A20-I24 VanDerWaalsContact O-N 3.11Å; F21-I24 PolarHBondContact O-N 2.69Å; I24-I27 HydrophobicContact CD1-CD1 4.15Å; I24-I27 PolarHBondContact O-N 3.35Å; I24-T28 PolarHBondContact O-N 3.46Å; I24-T28 PolarHBondContact O-OG1 3.44Å; I24-P92 HydrophobicContact CG1-CB 4.45Å |
| 25 | A | 98.4 | Very high | 98.3 | Very high | 28 Ų | 28 | 62.5 Ų | 62.5 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F21 S22 T28 R29 | F21-A25 PolarHBondContact O-N 2.9Å; F21-A25 VanDerWaalsContact O-N 3.07Å; S22-A25 WeakPolarHBondContact O-CB 3.47Å; S22-A25 PolarHBondContact O-N 3.32Å; A25-T28 PolarHBondContact O-N 2.99Å; A25-T28 VanDerWaalsContact O-N 3.13Å; A25-R29 WeakPolarHBondContact O-CB 3.32Å; A25-R29 WeakPolarHBondContact O-CG 3.4Å; A25-R29 PolarHBondContact O-N 3.15Å |
| 26 | H | 98.8 | Very high | 98.4 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 174.8 | 167.5 | -91.8 | 0 | 0 | 0 | 112 | S22 S23 T28 R29 D30 V31 | S22-H26 WeakPolarHBondContact O-CB 3.33Å; S22-H26 PolarHBondContact O-N 3.36Å; S23-H26 PolarHBondContact O-N 3.16Å; H26-T28 PolarHBondContact O-N 3.03Å; H26-R29 PolarHBondContact O-N 3.37Å; H26-D30 IonicContact CD2-OD2 3.31Å; H26-D30 PolarHBondContact CD2-OD2 3.05Å; H26-D30 VanDerWaalsContact CD2-OD2 3.31Å; H26-D30 IonicContact CG-OD2 3.9Å; H26-D30 PolarHBondContact O-N 3.41Å; H26-V31 PolarHBondContact O-N 2.95Å |
| 27 | I | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.6 | -43.4 | 172.8 | -75 | 164.7 | 0 | 0 | 0 | 110.8 | L9 H12 S23 I24 G34 R38 | L9-I27 HydrophobicContact CD2-CD1 4.32Å; L9-I27 HydrophobicContact CD2-CG2 3.55Å; H12-I27 HydrophobicContact CB-CD1 3.83Å; H12-I27 HydrophobicContact CB-CG1 3.48Å; H12-I27 VanDerWaalsContact CB-CG1 3.48Å; S23-I27 VanDerWaalsContact O-CG1 3.32Å; S23-I27 WeakPolarHBondContact O-CG1 3.36Å; S23-I27 PolarHBondContact O-N 2.74Å; I24-I27 HydrophobicContact CD1-CD1 4.15Å; I24-I27 PolarHBondContact O-N 3.35Å; I27-G34 CarbonylContact O-C 3.59Å; I27-G34 WeakPolarHBondContact O-CA 3.39Å; I27-R38 HydrophobicContact CG2-CB 4.42Å |
| 28 | T | 98.4 | Very high | 98.6 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.1 | -33.5 | -175.1 | -48.9 | 0 | 0 | 0 | 0 | 112.1 | I24 A25 H26 W35 R38 | I24-T28 PolarHBondContact O-N 3.46Å; I24-T28 PolarHBondContact O-OG1 3.44Å; A25-T28 PolarHBondContact O-N 2.99Å; A25-T28 VanDerWaalsContact O-N 3.13Å; H26-T28 PolarHBondContact O-N 3.03Å; T28-W35 HydrophobicContact CG2-CB 3.9Å; T28-W35 WeakPolarHBondContact O-CB 3.41Å; T28-R38 WeakPolarHBondContact OG1-CD 3.48Å; T28-R38 PolarHBondContact OG1-NH1 3.11Å |
| 29 | R | 98.6 | Very high | 98.6 | Very high | 206 Ų | 206 | 59.8 Ų | 59.8 | 78% | 0.777 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -102.3 | -37.1 | -168.6 | -66.4 | 176.7 | 179.1 | -169.1 | -0 | 114 | A25 H26 | A25-R29 WeakPolarHBondContact O-CB 3.32Å; A25-R29 WeakPolarHBondContact O-CG 3.4Å; A25-R29 PolarHBondContact O-N 3.15Å; H26-R29 PolarHBondContact O-N 3.37Å |
| 30 | D | 98.6 | Very high | 98.7 | Very high | 110 Ų | 110 | 58.9 Ų | 58.9 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -24.8 | -164.8 | -52.3 | -46.9 | 0 | 0 | 0 | 112.8 | H26 | H26-D30 IonicContact CD2-OD2 3.31Å; H26-D30 PolarHBondContact CD2-OD2 3.05Å; H26-D30 VanDerWaalsContact CD2-OD2 3.31Å; H26-D30 IonicContact CG-OD2 3.9Å; H26-D30 PolarHBondContact O-N 3.41Å |
| 31 | V | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 60.5 Ų | 60.5 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -80.6 | 129.6 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | H12 H26 Y33 G34 | H12-V31 HydrophobicContact CB-CG2 4.46Å; H26-V31 PolarHBondContact O-N 2.95Å; V31-Y33 PolarHBondContact O-N 2.7Å; V31-Y33 VanDerWaalsContact O-N 3.15Å; V31-G34 PolarHBondContact O-N 3.26Å |
| 32 | N | 98.6 | Very high | 98.7 | Very high | 145 Ų | 145 | 60.3 Ų | 60.3 | 78% | 0.775 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 120.5 | 175.8 | -68.6 | -37.9 | 0 | 0 | 0 | 111 | G34 | N32-G34 PolarHBondContact O-N 2.9Å; N32-G34 VanDerWaalsContact O-N 3.1Å |
| 33 | Y | 98.6 | Very high | 98.7 | Very high | 174 Ų | 174 | 57.5 Ų | 57.5 | 68% | 0.682 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 14.4 | -174.4 | -56 | -78.9 | 0 | 0 | 0 | 114.9 | V31 W35 I36 I37 | V31-Y33 PolarHBondContact O-N 2.7Å; V31-Y33 VanDerWaalsContact O-N 3.15Å; Y33-W35 VanDerWaalsContact C-N 3.32Å; Y33-W35 PolarHBondContact O-N 2.91Å; Y33-I36 HydrophobicContact CD1-CG2 4.29Å; Y33-I36 WeakPolarHBondContact O-CG2 3.28Å; Y33-I36 PolarHBondContact O-N 3.48Å; Y33-I37 WeakPolarHBondContact O-CG1 3.5Å; Y33-I37 PolarHBondContact O-N 3.47Å; Y33-I37 VanDerWaalsContact O-N 3.13Å |
| 34 | G | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -33.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I27 V31 N32 I36 I37 R38 | I27-G34 CarbonylContact O-C 3.59Å; I27-G34 WeakPolarHBondContact O-CA 3.39Å; V31-G34 PolarHBondContact O-N 3.26Å; N32-G34 PolarHBondContact O-N 2.9Å; N32-G34 VanDerWaalsContact O-N 3.1Å; G34-I36 PolarHBondContact O-N 3Å; G34-I37 PolarHBondContact O-N 2.97Å; G34-R38 WeakPolarHBondContact O-CB 3.5Å; G34-R38 PolarHBondContact O-N 2.9Å |
| 35 | W | 98.6 | Very high | 98.7 | Very high | 107 Ų | 107 | 57 Ų | 57 | 41% | 0.405 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 172.9 | 68.5 | -90.8 | 0 | 0 | 0 | 112.4 | T28 Y33 R38 Y39 L202 | T28-W35 HydrophobicContact CG2-CB 3.9Å; T28-W35 WeakPolarHBondContact O-CB 3.41Å; Y33-W35 VanDerWaalsContact C-N 3.32Å; Y33-W35 PolarHBondContact O-N 2.91Å; W35-R38 PolarHBondContact O-N 2.96Å; W35-Y39 HydrophobicContact CE3-CD2 4.24Å; W35-Y39 WeakPolarHBondContact O-CD2 3.49Å; W35-Y39 PolarHBondContact O-N 3.37Å; W35-L202 HydrophobicContact CH2-CD2 4.01Å; W35-L202 HydrophobicContact CZ3-CD2 4.31Å |
| 36 | I | 98.7 | Very high | 98.7 | Very high | 32 Ų | 32 | 56 Ų | 56 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.4 | -37 | -177.2 | -171.3 | 168.1 | 0 | 0 | 0 | 110.7 | Y33 G34 R38 Y39 L40 M198 T201 L202 | Y33-I36 HydrophobicContact CD1-CG2 4.29Å; Y33-I36 WeakPolarHBondContact O-CG2 3.28Å; Y33-I36 PolarHBondContact O-N 3.48Å; G34-I36 PolarHBondContact O-N 3Å; I36-R38 VanDerWaalsContact C-N 3.34Å; I36-R38 PolarHBondContact O-N 3.27Å; I36-Y39 PolarHBondContact O-N 3.04Å; I36-L40 HydrophobicContact CG1-CD1 4.08Å; I36-L40 HydrophobicContact CG1-CG 4.2Å; I36-L40 VanDerWaalsContact O-CB 3.23Å; I36-L40 WeakPolarHBondContact O-CB 3.4Å; I36-L40 WeakPolarHBondContact O-CG 3.47Å; I36-L40 PolarHBondContact O-N 3.25Å; I36-M198 HydrophobicContact CD1-CE 4.25Å; I36-T201 HydrophobicContact CG1-CG2 4.32Å; I36-L202 HydrophobicContact CD1-CD2 3.94Å |
| 37 | I | 98.8 | Very high | 98.7 | Very high | 39 Ų | 39 | 53 Ų | 53 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 174 | -63.5 | 170.2 | 0 | 0 | 0 | 110.3 | T5 F8 L9 Y33 G34 H41 | T5-I37 HydrophobicContact CG2-CG2 4.31Å; F8-I37 HydrophobicContact CB-CD1 4.32Å; F8-I37 HydrophobicContact CB-CG2 4.14Å; L9-I37 HydrophobicContact CD2-CG2 4.01Å; L9-I37 HydrophobicContact CG-CG2 3.92Å; Y33-I37 WeakPolarHBondContact O-CG1 3.5Å; Y33-I37 PolarHBondContact O-N 3.47Å; Y33-I37 VanDerWaalsContact O-N 3.13Å; G34-I37 PolarHBondContact O-N 2.97Å; I37-H41 WeakPolarHBondContact O-CB 3.32Å; I37-H41 PolarHBondContact O-N 3.44Å |
| 38 | R | 98.8 | Very high | 98.7 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -51.9 | 176.6 | -179.3 | -171.5 | 172.2 | -169.2 | -2.9 | 111.3 | L9 I27 T28 G34 W35 I36 H41 A42 | L9-R38 HydrophobicContact CD2-CB 4.05Å; I27-R38 HydrophobicContact CG2-CB 4.42Å; T28-R38 WeakPolarHBondContact OG1-CD 3.48Å; T28-R38 PolarHBondContact OG1-NH1 3.11Å; G34-R38 WeakPolarHBondContact O-CB 3.5Å; G34-R38 PolarHBondContact O-N 2.9Å; W35-R38 PolarHBondContact O-N 2.96Å; I36-R38 VanDerWaalsContact C-N 3.34Å; I36-R38 PolarHBondContact O-N 3.27Å; R38-H41 WeakPolarHBondContact O-CB 3.48Å; R38-H41 PolarHBondContact O-N 3.18Å; R38-H41 VanDerWaalsContact O-N 3.16Å; R38-A42 PolarHBondContact O-N 2.82Å |
| 39 | Y | 98.8 | Very high | 98.7 | Very high | 32 Ų | 32 | 55.4 Ų | 55.4 | 13% | 0.125 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.3 | -31.2 | -177.6 | -72 | -63.9 | 0 | 0 | 0 | 112.9 | W35 I36 H41 A42 N43 P205 D206 Y214 | W35-Y39 HydrophobicContact CE3-CD2 4.24Å; W35-Y39 WeakPolarHBondContact O-CD2 3.49Å; W35-Y39 PolarHBondContact O-N 3.37Å; I36-Y39 PolarHBondContact O-N 3.04Å; Y39-H41 VanDerWaalsContact C-N 3.3Å; Y39-H41 PolarHBondContact O-N 3.36Å; Y39-A42 PolarHBondContact O-N 3.42Å; Y39-N43 VanDerWaalsContact O-CB 3.27Å; Y39-N43 WeakPolarHBondContact O-CB 3.24Å; Y39-N43 PolarHBondContact O-N 3.46Å; Y39-N43 PolarHBondContact O-ND2 2.96Å; Y39-P205 HydrophobicContact CD1-CB 3.56Å; Y39-P205 HydrophobicContact CD2-CB 4.14Å; Y39-P205 HydrophobicContact CE1-CB 3.8Å; Y39-P205 HydrophobicContact CE2-CB 4.37Å; Y39-P205 HydrophobicContact CG-CB 3.74Å; Y39-D206 WeakPolarHBondContact CE1-OD1 3.24Å; Y39-Y214 PolarHBondContact OH-OH 3.44Å |
| 40 | L | 98.9 | Very high | 98.8 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 168.7 | -78.8 | 172.5 | 0 | 0 | 0 | 111.6 | T5 I36 G44 L197 M198 T201 | T5-L40 HydrophobicContact CG2-CB 4.14Å; I36-L40 HydrophobicContact CG1-CD1 4.08Å; I36-L40 HydrophobicContact CG1-CG 4.2Å; I36-L40 VanDerWaalsContact O-CB 3.23Å; I36-L40 WeakPolarHBondContact O-CB 3.4Å; I36-L40 WeakPolarHBondContact O-CG 3.47Å; I36-L40 PolarHBondContact O-N 3.25Å; L40-G44 WeakPolarHBondContact O-CA 3.18Å; L40-G44 PolarHBondContact O-N 3.34Å; L40-L197 HydrophobicContact CD2-CD2 3.97Å; L40-L197 HydrophobicContact CD2-CG 4.09Å; L40-M198 HydrophobicContact CD2-SD 3.77Å; L40-T201 HydrophobicContact CD2-CG2 4.17Å; L40-T201 HydrophobicContact CG-CG2 4.15Å |
| 41 | H | 98.9 | Very high | 98.8 | Very high | 33 Ų | 33 | 46 Ų | 46 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.3 | -44.1 | 177.3 | -164.6 | 81.7 | 0 | 0 | 0 | 111.9 | Q2 T5 G6 L9 I37 R38 Y39 A45 H140 | Q2-H41 PolarHBondContact NE2-O 3.01Å; Q2-H41 PolarHBondContact O-CE1 2.86Å; Q2-H41 VanDerWaalsContact O-CE1 3.27Å; Q2-H41 PolarHBondContact O-ND1 2.85Å; T5-H41 PolarHBondContact OG1-ND1 3.47Å; G6-H41 VanDerWaalsContact CA-CE1 3.47Å; G6-H41 WeakPolarHBondContact CA-CE1 3.28Å; G6-H41 PolarHBondContact N-ND1 3.35Å; L9-H41 HydrophobicContact CD1-CB 3.52Å; I37-H41 WeakPolarHBondContact O-CB 3.32Å; I37-H41 PolarHBondContact O-N 3.44Å; R38-H41 WeakPolarHBondContact O-CB 3.48Å; R38-H41 PolarHBondContact O-N 3.18Å; R38-H41 VanDerWaalsContact O-N 3.16Å; Y39-H41 VanDerWaalsContact C-N 3.3Å; Y39-H41 PolarHBondContact O-N 3.36Å; H41-A45 PolarHBondContact O-N 3.02Å; H41-A45 VanDerWaalsContact O-N 3.16Å; H41-H140 AromaticContact NE2-NE2 3.87Å |
| 42 | A | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 46 Ų | 46 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67 | -53.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R38 Y39 G44 A45 | R38-A42 PolarHBondContact O-N 2.82Å; Y39-A42 PolarHBondContact O-N 3.42Å; A42-G44 VanDerWaalsContact C-N 3.3Å; A42-G44 PolarHBondContact O-N 3.3Å; A42-A45 WeakPolarHBondContact O-CB 3.44Å; A42-A45 PolarHBondContact O-N 3.02Å |
| 43 | N | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.5 | -30.1 | 178 | -71.6 | -49.5 | 0 | 0 | 0 | 112 | Y39 A45 S46 M47 L197 L200 P205 | Y39-N43 VanDerWaalsContact O-CB 3.27Å; Y39-N43 WeakPolarHBondContact O-CB 3.24Å; Y39-N43 PolarHBondContact O-N 3.46Å; Y39-N43 PolarHBondContact O-ND2 2.96Å; N43-A45 VanDerWaalsContact C-N 3.26Å; N43-A45 PolarHBondContact O-N 2.99Å; N43-S46 WeakPolarHBondContact O-CB 3.44Å; N43-S46 PolarHBondContact O-N 3.47Å; N43-M47 WeakPolarHBondContact O-CG 3.19Å; N43-M47 PolarHBondContact O-N 2.75Å; N43-L197 HydrophobicContact CB-CD1 3.88Å; N43-L200 HydrophobicContact CB-CD2 3.78Å; N43-L200 HydrophobicContact CB-CG 4.17Å; N43-L200 WeakPolarHBondContact OD1-CD2 3.5Å; N43-P205 PolarHBondContact ND2-O 2.83Å; N43-P205 PolarHBondContact OD1-O 3.32Å |
| 44 | G | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -33 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L40 A42 M47 F48 | L40-G44 WeakPolarHBondContact O-CA 3.18Å; L40-G44 PolarHBondContact O-N 3.34Å; A42-G44 VanDerWaalsContact C-N 3.3Å; A42-G44 PolarHBondContact O-N 3.3Å; G44-M47 PolarHBondContact O-N 3.08Å; G44-F48 WeakPolarHBondContact O-CB 3.24Å; G44-F48 PolarHBondContact O-N 3.1Å |
| 45 | A | 98.8 | Very high | 98.8 | Very high | 20 Ų | 20 | 44 Ų | 44 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H41 A42 N43 M47 F48 F49 | H41-A45 PolarHBondContact O-N 3.02Å; H41-A45 VanDerWaalsContact O-N 3.16Å; A42-A45 WeakPolarHBondContact O-CB 3.44Å; A42-A45 PolarHBondContact O-N 3.02Å; N43-A45 VanDerWaalsContact C-N 3.26Å; N43-A45 PolarHBondContact O-N 2.99Å; A45-M47 PolarHBondContact O-N 3.45Å; A45-F48 VanDerWaalsContact O-CB 3.25Å; A45-F48 WeakPolarHBondContact O-CB 3.31Å; A45-F48 PolarHBondContact O-N 2.98Å; A45-F49 WeakPolarHBondContact O-CD2 3.41Å; A45-F49 PolarHBondContact O-N 3.41Å; A45-F49 VanDerWaalsContact O-N 3.14Å |
| 46 | S | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 174.4 | -70.9 | 0 | 0 | 0 | 0 | 112 | N43 F48 F49 I50 W230 | N43-S46 WeakPolarHBondContact O-CB 3.44Å; N43-S46 PolarHBondContact O-N 3.47Å; S46-F48 PolarHBondContact O-N 2.83Å; S46-F49 PolarHBondContact O-N 3.45Å; S46-F49 VanDerWaalsContact O-N 3.13Å; S46-I50 WeakPolarHBondContact O-CG1 3.37Å; S46-I50 PolarHBondContact O-N 2.89Å; S46-W230 PolarHBondContact OG-NE1 3.17Å |
| 47 | M | 98.7 | Very high | 98.8 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -33.4 | 176.6 | -67.6 | -57.8 | -65.1 | 0 | 0 | 112.2 | N43 G44 A45 I50 C51 F193 S196 L197 | N43-M47 WeakPolarHBondContact O-CG 3.19Å; N43-M47 PolarHBondContact O-N 2.75Å; G44-M47 PolarHBondContact O-N 3.08Å; A45-M47 PolarHBondContact O-N 3.45Å; M47-I50 PolarHBondContact O-N 3.25Å; M47-I50 HydrophobicContact SD-CD1 3.95Å; M47-C51 PolarHBondContact O-N 3.06Å; M47-C51 PolarHBondContact O-SG 3.44Å; M47-C51 VanDerWaalsContact O-SG 3.34Å; M47-F193 HydrophobicContact CB-CE2 3.68Å; M47-F193 HydrophobicContact CB-CZ 3.9Å; M47-F193 HydrophobicContact CE-CD2 3.98Å; M47-F193 HydrophobicContact CE-CE2 4.02Å; M47-F193 HydrophobicContact CG-CE2 4.48Å; M47-S196 WeakPolarHBondContact CE-OG 3.47Å; M47-L197 HydrophobicContact CG-CB 4.28Å; M47-L197 HydrophobicContact CG-CD1 3.87Å |
| 48 | F | 98.7 | Very high | 98.8 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 34% | 0.338 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.6 | -50.7 | 172.4 | -154.8 | -47.2 | 0 | 0 | 0 | 110.6 | Q2 G44 A45 S46 I50 C51 L52 T81 | Q2-F48 HydrophobicContact CG-CD2 4.12Å; G44-F48 WeakPolarHBondContact O-CB 3.24Å; G44-F48 PolarHBondContact O-N 3.1Å; A45-F48 VanDerWaalsContact O-CB 3.25Å; A45-F48 WeakPolarHBondContact O-CB 3.31Å; A45-F48 PolarHBondContact O-N 2.98Å; S46-F48 PolarHBondContact O-N 2.83Å; F48-I50 PolarHBondContact O-N 2.86Å; F48-C51 WeakPolarHBondContact O-CB 3.44Å; F48-C51 PolarHBondContact O-N 3.45Å; F48-C51 VanDerWaalsContact O-N 3.17Å; F48-L52 HydrophobicContact CD1-CD1 3.58Å; F48-L52 HydrophobicContact CD1-CG 3.72Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CE1-CD2 4.14Å; F48-L52 HydrophobicContact CE1-CG 3.78Å; F48-L52 PolarHBondContact O-N 3.32Å; F48-T81 HydrophobicContact CD1-CG2 4.05Å; F48-T81 HydrophobicContact CE1-CG2 3.93Å; F48-T81 HydrophobicContact CG-CG2 4.47Å; F48-T81 HydrophobicContact CZ-CG2 4.2Å |
| 49 | F | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 179.8 | -81.8 | -79.9 | 0 | 0 | 0 | 113.4 | A45 S46 C51 L52 F53 T81 M82 A85 W230 Y231 F232 | A45-F49 WeakPolarHBondContact O-CD2 3.41Å; A45-F49 PolarHBondContact O-N 3.41Å; A45-F49 VanDerWaalsContact O-N 3.14Å; S46-F49 PolarHBondContact O-N 3.45Å; S46-F49 VanDerWaalsContact O-N 3.13Å; F49-C51 VanDerWaalsContact C-N 3.33Å; F49-C51 PolarHBondContact O-N 3.49Å; F49-L52 HydrophobicContact CD1-CD1 4.28Å; F49-L52 HydrophobicContact CE1-CD1 4.41Å; F49-L52 PolarHBondContact O-N 2.94Å; F49-F53 HydrophobicContact CB-CD2 4.48Å; F49-F53 HydrophobicContact CB-CE2 4.02Å; F49-F53 HydrophobicContact CB-CZ 4.37Å; F49-F53 HydrophobicContact CD1-CE1 4.23Å; F49-F53 HydrophobicContact CD1-CE2 4.31Å; F49-F53 AromaticContact CD1-CZ 3.8Å; F49-F53 HydrophobicContact CD1-CZ 3.8Å; F49-F53 WeakPolarHBondContact O-CD2 3.41Å; F49-F53 VanDerWaalsContact O-CG 3.26Å; F49-F53 WeakPolarHBondContact O-CG 3.4Å; F49-F53 PolarHBondContact O-N 3.38Å; F49-T81 HydrophobicContact CZ-CG2 4.26Å; F49-M82 HydrophobicContact CE1-CG 3.91Å; F49-M82 HydrophobicContact CZ-CG 4.27Å; F49-A85 HydrophobicContact CE2-CB 3.5Å; F49-A85 HydrophobicContact CZ-CB 3.84Å; F49-W230 HydrophobicContact CB-CH2 4.2Å; F49-W230 HydrophobicContact CB-CZ2 4.27Å; F49-Y231 HydrophobicContact CB-CD1 4.11Å; F49-Y231 HydrophobicContact CB-CG 3.99Å; F49-Y231 HydrophobicContact CD1-CD2 4.29Å; F49-Y231 HydrophobicContact CD1-CG 4.11Å; F49-Y231 AromaticContact CD2-CD1 3.54Å; F49-Y231 HydrophobicContact CD2-CD1 3.54Å; F49-Y231 AromaticContact CD2-CD2 3.71Å; F49-Y231 HydrophobicContact CD2-CD2 3.71Å; F49-Y231 AromaticContact CD2-CE1 3.9Å; F49-Y231 HydrophobicContact CD2-CE1 3.9Å; F49-Y231 HydrophobicContact CD2-CE2 4.05Å; F49-Y231 AromaticContact CD2-CG 3.45Å; F49-Y231 HydrophobicContact CD2-CG 3.45Å; F49-Y231 VanDerWaalsContact CD2-CG 3.45Å; F49-Y231 HydrophobicContact CE1-CD2 4.23Å; F49-Y231 HydrophobicContact CE2-CD1 4.2Å; F49-Y231 AromaticContact CE2-CD2 3.64Å; F49-Y231 HydrophobicContact CE2-CD2 3.64Å; F49-Y231 HydrophobicContact CE2-CE1 4.25Å; F49-Y231 AromaticContact CE2-CE2 3.71Å; F49-Y231 HydrophobicContact CE2-CE2 3.71Å; F49-Y231 AromaticContact CE2-CG 3.91Å; F49-Y231 HydrophobicContact CE2-CG 3.91Å; F49-Y231 AromaticContact CG-CD1 3.95Å; F49-Y231 HydrophobicContact CG-CD1 3.95Å; F49-Y231 HydrophobicContact CG-CD2 4.05Å; F49-Y231 AromaticContact CG-CG 3.57Å; F49-Y231 HydrophobicContact CG-CG 3.57Å; F49-Y231 AromaticContact CZ-CD2 3.91Å; F49-Y231 HydrophobicContact CZ-CD2 3.91Å; F49-Y231 HydrophobicContact CZ-CE2 4.2Å; F49-Y231 HydrophobicContact CZ-CG 4.41Å; F49-F232 HydrophobicContact CZ-CE1 4.46Å; F49-F232 HydrophobicContact CZ-CZ 4.33Å |
| 50 | I | 98.8 | Very high | 98.8 | Very high | 61 Ų | 61 | 41 Ų | 41 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.9 | -49.8 | 171.1 | -66.2 | 170.6 | 0 | 0 | 0 | 109.9 | S46 M47 F48 L52 F53 L54 W230 | S46-I50 WeakPolarHBondContact O-CG1 3.37Å; S46-I50 PolarHBondContact O-N 2.89Å; M47-I50 PolarHBondContact O-N 3.25Å; M47-I50 HydrophobicContact SD-CD1 3.95Å; F48-I50 PolarHBondContact O-N 2.86Å; I50-L52 PolarHBondContact O-N 3.4Å; I50-F53 PolarHBondContact O-N 3.19Å; I50-L54 HydrophobicContact CG2-CD1 3.98Å; I50-L54 WeakPolarHBondContact O-CB 3.33Å; I50-L54 VanDerWaalsContact O-CG 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.48Å; I50-W230 HydrophobicContact CD1-CH2 4.43Å; I50-W230 HydrophobicContact CD1-CZ2 4.3Å; I50-W230 HydrophobicContact CG1-CH2 3.54Å; I50-W230 HydrophobicContact CG1-CZ2 3.77Å |
| 51 | C | 98.9 | Very high | 98.8 | Very high | 58 Ų | 58 | 41.2 Ų | 41.2 | 39% | 0.392 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.2 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | M47 F48 F49 H55 | M47-C51 PolarHBondContact O-N 3.06Å; M47-C51 PolarHBondContact O-SG 3.44Å; M47-C51 VanDerWaalsContact O-SG 3.34Å; F48-C51 WeakPolarHBondContact O-CB 3.44Å; F48-C51 PolarHBondContact O-N 3.45Å; F48-C51 VanDerWaalsContact O-N 3.17Å; F49-C51 VanDerWaalsContact C-N 3.33Å; F49-C51 PolarHBondContact O-N 3.49Å; C51-H55 WeakPolarHBondContact O-CB 3.4Å; C51-H55 PolarHBondContact O-N 3.32Å |
| 52 | L | 98.8 | Very high | 98.8 | Very high | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -49.1 | 177.6 | -81.3 | 172 | 0 | 0 | 0 | 112 | F48 F49 I50 L54 H55 I56 L78 T81 | F48-L52 HydrophobicContact CD1-CD1 3.58Å; F48-L52 HydrophobicContact CD1-CG 3.72Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CE1-CD2 4.14Å; F48-L52 HydrophobicContact CE1-CG 3.78Å; F48-L52 PolarHBondContact O-N 3.32Å; F49-L52 HydrophobicContact CD1-CD1 4.28Å; F49-L52 HydrophobicContact CE1-CD1 4.41Å; F49-L52 PolarHBondContact O-N 2.94Å; I50-L52 PolarHBondContact O-N 3.4Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L52-L54 PolarHBondContact O-N 2.87Å; L52-H55 WeakPolarHBondContact O-CB 3.27Å; L52-H55 PolarHBondContact O-N 3.18Å; L52-H55 VanDerWaalsContact O-N 3.16Å; L52-I56 VanDerWaalsContact O-CG1 3.28Å; L52-I56 WeakPolarHBondContact O-CG1 3.29Å; L52-I56 PolarHBondContact O-N 3.1Å; L52-L78 HydrophobicContact CD1-CD1 4.39Å; L52-T81 HydrophobicContact CD1-CG2 3.74Å |
| 53 | F | 98.8 | Very high | 98.8 | Very high | 67 Ų | 67 | 40.6 Ų | 40.6 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.3 | -40.6 | -179.6 | -61.9 | -34.6 | 0 | 0 | 0 | 111.8 | F49 I50 H55 I56 G57 W230 Y231 F234 | F49-F53 HydrophobicContact CB-CD2 4.48Å; F49-F53 HydrophobicContact CB-CE2 4.02Å; F49-F53 HydrophobicContact CB-CZ 4.37Å; F49-F53 HydrophobicContact CD1-CE1 4.23Å; F49-F53 HydrophobicContact CD1-CE2 4.31Å; F49-F53 AromaticContact CD1-CZ 3.8Å; F49-F53 HydrophobicContact CD1-CZ 3.8Å; F49-F53 WeakPolarHBondContact O-CD2 3.41Å; F49-F53 VanDerWaalsContact O-CG 3.26Å; F49-F53 WeakPolarHBondContact O-CG 3.4Å; F49-F53 PolarHBondContact O-N 3.38Å; I50-F53 PolarHBondContact O-N 3.19Å; F53-H55 VanDerWaalsContact C-N 3.35Å; F53-I56 PolarHBondContact O-N 2.94Å; F53-G57 PolarHBondContact O-N 3.48Å; F53-W230 HydrophobicContact CD2-CH2 4.35Å; F53-W230 HydrophobicContact CD2-CZ3 4.28Å; F53-W230 HydrophobicContact CE2-CH2 4.17Å; F53-W230 AromaticContact CE2-CZ3 3.96Å; F53-W230 HydrophobicContact CE2-CZ3 3.96Å; F53-Y231 WeakPolarHBondContact CZ-O 3.43Å; F53-F234 HydrophobicContact CE1-CE1 4.42Å; F53-F234 HydrophobicContact CZ-CE1 4.19Å |
| 54 | L | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 41.4 Ų | 41.4 | 63% | 0.628 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.2 | -40.8 | 172.5 | -69.4 | 174 | 0 | 0 | 0 | 112 | I50 L52 G57 R58 | I50-L54 HydrophobicContact CG2-CD1 3.98Å; I50-L54 WeakPolarHBondContact O-CB 3.33Å; I50-L54 VanDerWaalsContact O-CG 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.48Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L52-L54 PolarHBondContact O-N 2.87Å; L54-G57 PolarHBondContact O-N 3.15Å; L54-R58 WeakPolarHBondContact O-CB 3.47Å; L54-R58 PolarHBondContact O-N 3.42Å |
| 55 | H | 98.9 | Very high | 98.8 | Very high | 90 Ų | 90 | 41.8 Ų | 41.8 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65 | -43.3 | 178.7 | -171.6 | 93.4 | 0 | 0 | 0 | 112.1 | C51 L52 F53 R58 G59 | C51-H55 WeakPolarHBondContact O-CB 3.4Å; C51-H55 PolarHBondContact O-N 3.32Å; L52-H55 WeakPolarHBondContact O-CB 3.27Å; L52-H55 PolarHBondContact O-N 3.18Å; L52-H55 VanDerWaalsContact O-N 3.16Å; F53-H55 VanDerWaalsContact C-N 3.35Å; H55-R58 PolarHBondContact CE1-NH2 3.49Å; H55-R58 VanDerWaalsContact CE1-NH2 3.3Å; H55-G59 PolarHBondContact O-N 3.25Å |
| 56 | I | 98.9 | Very high | 98.8 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -48 | 174.8 | -66.7 | 162.8 | 0 | 0 | 0 | 110 | L52 F53 R58 G59 L60 W71 L78 L259 | L52-I56 VanDerWaalsContact O-CG1 3.28Å; L52-I56 WeakPolarHBondContact O-CG1 3.29Å; L52-I56 PolarHBondContact O-N 3.1Å; F53-I56 PolarHBondContact O-N 2.94Å; I56-R58 VanDerWaalsContact C-N 3.32Å; I56-R58 PolarHBondContact O-N 3.29Å; I56-G59 CarbonylContact O-C 3.48Å; I56-G59 WeakPolarHBondContact O-CA 3.27Å; I56-G59 PolarHBondContact O-N 3.48Å; I56-L60 HydrophobicContact CG2-CD1 4.15Å; I56-L60 HydrophobicContact CG2-CG 4.4Å; I56-L60 WeakPolarHBondContact O-CG 3.47Å; I56-L60 PolarHBondContact O-N 3.19Å; I56-W71 HydrophobicContact CG2-CH2 4.18Å; I56-L78 HydrophobicContact CD1-CD1 4.06Å; I56-L78 HydrophobicContact CD1-CD2 3.82Å; I56-L78 HydrophobicContact CD1-CG 4.41Å; I56-L259 HydrophobicContact CG2-CD1 4.48Å; I56-L259 HydrophobicContact CG2-CD2 4.14Å |
| 57 | G | 98.8 | Very high | 98.7 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F53 L54 G59 L60 Y61 Y283 | F53-G57 PolarHBondContact O-N 3.48Å; L54-G57 PolarHBondContact O-N 3.15Å; G57-G59 VanDerWaalsContact C-N 3.31Å; G57-G59 PolarHBondContact O-N 3.18Å; G57-L60 PolarHBondContact O-N 2.85Å; G57-Y61 WeakPolarHBondContact O-CB 3.42Å; G57-Y61 PolarHBondContact O-N 3.31Å; G57-Y283 WeakPolarHBondContact CA-OH 3.36Å; G57-Y283 PolarHBondContact O-OH 3.08Å |
| 58 | R | 98.9 | Very high | 98.7 | Very high | 122 Ų | 122 | 47.3 Ų | 47.3 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.6 | -46 | 170.7 | -175.3 | -79.3 | -69.5 | -101.7 | -1.7 | 111.1 | L54 H55 I56 L60 Y61 Y62 | L54-R58 WeakPolarHBondContact O-CB 3.47Å; L54-R58 PolarHBondContact O-N 3.42Å; H55-R58 PolarHBondContact CE1-NH2 3.49Å; H55-R58 VanDerWaalsContact CE1-NH2 3.3Å; I56-R58 VanDerWaalsContact C-N 3.32Å; I56-R58 PolarHBondContact O-N 3.29Å; R58-L60 VanDerWaalsContact C-N 3.34Å; R58-L60 PolarHBondContact O-N 2.91Å; R58-Y61 PolarHBondContact O-N 3.49Å; R58-Y62 HydrophobicContact CG-CD2 3.75Å; R58-Y62 HydrophobicContact CG-CE2 4.03Å; R58-Y62 WeakPolarHBondContact O-CD2 3.43Å; R58-Y62 PolarHBondContact O-N 3.36Å |
| 59 | G | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H55 I56 G57 G63 S64 F65 | H55-G59 PolarHBondContact O-N 3.25Å; I56-G59 CarbonylContact O-C 3.48Å; I56-G59 WeakPolarHBondContact O-CA 3.27Å; I56-G59 PolarHBondContact O-N 3.48Å; G57-G59 VanDerWaalsContact C-N 3.31Å; G57-G59 PolarHBondContact O-N 3.18Å; G59-G63 CarbonylContact O-C 2.89Å; G59-G63 PolarHBondContact O-N 2.93Å; G59-S64 PolarHBondContact O-N 2.88Å; G59-F65 WeakPolarHBondContact O-CD1 3.4Å |
| 60 | L | 98.8 | Very high | 98.6 | Very high | 28 Ų | 28 | 49.2 Ų | 49.2 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -49.7 | 175.6 | -66.1 | 174.1 | 0 | 0 | 0 | 112.1 | I56 G57 R58 Y62 G63 F65 W71 L259 I262 Y283 | I56-L60 HydrophobicContact CG2-CD1 4.15Å; I56-L60 HydrophobicContact CG2-CG 4.4Å; I56-L60 WeakPolarHBondContact O-CG 3.47Å; I56-L60 PolarHBondContact O-N 3.19Å; G57-L60 PolarHBondContact O-N 2.85Å; R58-L60 VanDerWaalsContact C-N 3.34Å; R58-L60 PolarHBondContact O-N 2.91Å; L60-Y62 PolarHBondContact O-N 2.93Å; L60-G63 PolarHBondContact O-N 3.41Å; L60-F65 HydrophobicContact CD2-CD1 4.21Å; L60-W71 HydrophobicContact CD2-CH2 3.86Å; L60-W71 HydrophobicContact CD2-CZ2 4.03Å; L60-W71 HydrophobicContact CG-CH2 4.12Å; L60-L259 HydrophobicContact CD2-CD2 4.46Å; L60-I262 HydrophobicContact CD2-CD1 4.47Å; L60-I262 HydrophobicContact CD2-CG1 4.12Å; L60-I262 HydrophobicContact CD2-CG2 3.88Å; L60-Y283 HydrophobicContact CB-CE2 4.14Å |
| 61 | Y | 98.8 | Very high | 98.6 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | -174.9 | -169.3 | -92.2 | 0 | 0 | 0 | 112.8 | G57 R58 M273 Q280 Y283 | G57-Y61 WeakPolarHBondContact O-CB 3.42Å; G57-Y61 PolarHBondContact O-N 3.31Å; R58-Y61 PolarHBondContact O-N 3.49Å; Y61-M273 HydrophobicContact CD2-CB 4.38Å; Y61-M273 HydrophobicContact CD2-SD 4.32Å; Y61-M273 HydrophobicContact CE1-CB 4.5Å; Y61-M273 HydrophobicContact CE2-CB 4.29Å; Y61-M273 VanDerWaalsContact O-CB 3.27Å; Y61-M273 WeakPolarHBondContact O-CB 3.36Å; Y61-M273 VanDerWaalsContact O-CG 3.27Å; Y61-M273 WeakPolarHBondContact O-CG 3.44Å; Y61-M273 PolarHBondContact O-N 3.07Å; Y61-Q280 HydrophobicContact CE2-CB 4.49Å; Y61-Q280 HydrophobicContact CE2-CG 4.1Å; Y61-Q280 VanDerWaalsContact OH-CD 3.31Å; Y61-Q280 WeakPolarHBondContact OH-CG 3.35Å; Y61-Y283 AromaticContact CD2-CD1 3.46Å; Y61-Y283 HydrophobicContact CD2-CD1 3.46Å; Y61-Y283 VanDerWaalsContact CD2-CD1 3.46Å; Y61-Y283 HydrophobicContact CD2-CD2 4.05Å; Y61-Y283 AromaticContact CD2-CE1 3.64Å; Y61-Y283 HydrophobicContact CD2-CE1 3.64Å; Y61-Y283 HydrophobicContact CD2-CE2 4.2Å; Y61-Y283 AromaticContact CD2-CG 3.68Å; Y61-Y283 HydrophobicContact CD2-CG 3.68Å; Y61-Y283 AromaticContact CE2-CD1 3.95Å; Y61-Y283 HydrophobicContact CE2-CD1 3.95Å; Y61-Y283 HydrophobicContact CE2-CE1 4.34Å; Y61-Y283 HydrophobicContact CE2-CG 4.35Å; Y61-Y283 HydrophobicContact CG-CE1 4.45Å |
| 62 | Y | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 48 Ų | 48 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4.2 | -178 | -63.2 | -66.5 | 0 | 0 | 0 | 113.8 | R58 L60 S64 N164 P166 S272 | R58-Y62 HydrophobicContact CG-CD2 3.75Å; R58-Y62 HydrophobicContact CG-CE2 4.03Å; R58-Y62 WeakPolarHBondContact O-CD2 3.43Å; R58-Y62 PolarHBondContact O-N 3.36Å; L60-Y62 PolarHBondContact O-N 2.93Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 3.24Å; Y62-N164 PolarHBondContact O-ND2 3.43Å; Y62-P166 HydrophobicContact CD1-CB 4.23Å; Y62-P166 HydrophobicContact CE1-CB 3.69Å; Y62-P166 HydrophobicContact CE1-CG 4.37Å; Y62-S272 WeakPolarHBondContact CD1-OG 3.38Å |
| 63 | G | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 32 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G59 L60 F65 L66 Q271 | G59-G63 CarbonylContact O-C 2.89Å; G59-G63 PolarHBondContact O-N 2.93Å; L60-G63 PolarHBondContact O-N 3.41Å; G63-F65 PolarHBondContact O-N 3.47Å; G63-L66 PolarHBondContact O-N 3.47Å; G63-Q271 WeakPolarHBondContact O-CG 3.14Å; G63-Q271 PolarHBondContact O-NE2 3.04Å |
| 64 | S | 98.7 | Very high | 98.6 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -75.4 | -14.1 | 179.3 | -46.8 | 0 | 0 | 0 | 0 | 112.4 | G59 Y62 L66 Y67 N164 | G59-S64 PolarHBondContact O-N 2.88Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 3.24Å; S64-L66 PolarHBondContact O-N 3.49Å; S64-Y67 PolarHBondContact O-N 3.44Å; S64-Y67 VanDerWaalsContact O-N 3.16Å; S64-N164 PolarHBondContact OG-ND2 2.83Å; S64-N164 VanDerWaalsContact OG-ND2 3.17Å |
| 65 | F | 98.6 | Very high | 98.6 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 4% | 0.044 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -62.5 | -14.5 | 172 | 56.6 | -106.6 | 0 | 0 | 0 | 113.7 | G59 L60 G63 Y67 W71 I262 P263 H266 | G59-F65 WeakPolarHBondContact O-CD1 3.4Å; L60-F65 HydrophobicContact CD2-CD1 4.21Å; G63-F65 PolarHBondContact O-N 3.47Å; F65-Y67 PolarHBondContact O-N 2.82Å; F65-W71 HydrophobicContact CB-CB 4.42Å; F65-W71 HydrophobicContact CB-CD2 3.32Å; F65-W71 VanDerWaalsContact CB-CE2 3.47Å; F65-W71 HydrophobicContact CB-CE3 3.63Å; F65-W71 HydrophobicContact CB-CG 3.69Å; F65-W71 HydrophobicContact CB-CH2 4.17Å; F65-W71 HydrophobicContact CB-CZ2 3.9Å; F65-W71 HydrophobicContact CB-CZ3 4.05Å; F65-I262 HydrophobicContact CB-CG2 4.37Å; F65-I262 HydrophobicContact CD1-CG2 3.51Å; F65-I262 HydrophobicContact CD2-CG2 3.8Å; F65-I262 HydrophobicContact CE1-CG2 3.57Å; F65-I262 HydrophobicContact CE2-CG2 3.89Å; F65-I262 HydrophobicContact CG-CG2 3.63Å; F65-I262 HydrophobicContact CZ-CG2 3.76Å; F65-P263 HydrophobicContact CB-CG 4.34Å; F65-P263 HydrophobicContact CD2-CB 4.32Å; F65-P263 HydrophobicContact CD2-CG 4.2Å; F65-P263 WeakPolarHBondContact O-CG 3.41Å; F65-H266 HydrophobicContact CE2-CB 3.96Å; F65-H266 AromaticContact CE2-ND1 3.75Å; F65-H266 HydrophobicContact CZ-CB 4.48Å; F65-H266 AromaticContact CZ-ND1 3.61Å |
| 66 | L | 98.3 | Very high | 98.6 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 34% | 0.335 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -67.1 | -16.6 | 173.6 | -65.3 | -178 | 0 | 0 | 0 | 112.9 | G63 S64 S68 H266 Q271 | G63-L66 PolarHBondContact O-N 3.47Å; S64-L66 PolarHBondContact O-N 3.49Å; L66-S68 PolarHBondContact O-N 3.48Å; L66-H266 HydrophobicContact CD2-CB 4.22Å; L66-Q271 HydrophobicContact CD1-CB 4.15Å; L66-Q271 HydrophobicContact CD1-CG 3.74Å |
| 67 | Y | 98.2 | Very high | 98.6 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -80.7 | 76.6 | 165.5 | -56.1 | -39 | 0 | 0 | 0 | 109.3 | S64 F65 E69 T70 W71 T161 N164 | S64-Y67 PolarHBondContact O-N 3.44Å; S64-Y67 VanDerWaalsContact O-N 3.16Å; F65-Y67 PolarHBondContact O-N 2.82Å; Y67-E69 VanDerWaalsContact C-N 3.35Å; Y67-E69 PolarHBondContact O-N 3.47Å; Y67-T70 WeakPolarHBondContact O-CB 3.44Å; Y67-T70 PolarHBondContact O-N 3.29Å; Y67-T70 VanDerWaalsContact O-N 3.14Å; Y67-W71 WeakPolarHBondContact O-CB 3.23Å; Y67-W71 PolarHBondContact O-N 3.43Å; Y67-T161 HydrophobicContact CD1-CG2 4.14Å; Y67-T161 HydrophobicContact CE1-CG2 4.38Å; Y67-N164 HydrophobicContact CE2-CB 3.74Å |
| 68 | S | 97.3 | Very high | 98.6 | Very high | 48 Ų | 48 | 39.6 Ų | 39.6 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -51.9 | -45.1 | -166.1 | -60.7 | 0 | 0 | 0 | 0 | 114.3 | L66 W71 N72 | L66-S68 PolarHBondContact O-N 3.48Å; S68-W71 PolarHBondContact O-N 2.85Å; S68-N72 VanDerWaalsContact O-CB 3.28Å; S68-N72 WeakPolarHBondContact O-CB 3.48Å; S68-N72 PolarHBondContact O-N 2.91Å; S68-N72 PolarHBondContact O-ND2 3.49Å |
| 69 | E | 98.3 | Very high | 98.6 | Very high | 106 Ų | 106 | 37.2 Ų | 37.2 | 50% | 0.495 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.4 | -49.4 | -179.6 | -61.4 | 77.2 | -173.5 | 0 | 0 | 110.7 | Y67 W71 N72 I73 F157 | Y67-E69 VanDerWaalsContact C-N 3.35Å; Y67-E69 PolarHBondContact O-N 3.47Å; E69-W71 VanDerWaalsContact C-N 3.33Å; E69-W71 PolarHBondContact O-N 3.07Å; E69-N72 PolarHBondContact O-N 2.91Å; E69-I73 WeakPolarHBondContact O-CD1 3.39Å; E69-I73 WeakPolarHBondContact O-CG1 3.2Å; E69-I73 PolarHBondContact O-N 3.04Å; E69-F157 HydrophobicContact CB-CB 4.09Å; E69-F157 HydrophobicContact CB-CD1 3.46Å; E69-F157 VanDerWaalsContact CB-CD1 3.46Å; E69-F157 HydrophobicContact CB-CD2 4.21Å; E69-F157 HydrophobicContact CB-CE1 3.84Å; E69-F157 HydrophobicContact CB-CG 3.66Å; E69-F157 HydrophobicContact CB-CZ 4.33Å; E69-F157 HydrophobicContact CG-CD1 3.85Å; E69-F157 HydrophobicContact CG-CE1 3.82Å; E69-F157 HydrophobicContact CG-CZ 4.46Å |
| 70 | T | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | Y67 I73 G74 H154 F157 L158 | Y67-T70 WeakPolarHBondContact O-CB 3.44Å; Y67-T70 PolarHBondContact O-N 3.29Å; Y67-T70 VanDerWaalsContact O-N 3.14Å; T70-I73 PolarHBondContact O-N 2.85Å; T70-G74 PolarHBondContact O-N 3.38Å; T70-H154 WeakPolarHBondContact CG2-CE1 3.5Å; T70-H154 PolarHBondContact O-CE1 3.36Å; T70-H154 PolarHBondContact O-ND1 3.08Å; T70-F157 WeakPolarHBondContact OG1-CB 3.18Å; T70-L158 HydrophobicContact CG2-CB 4.2Å; T70-L158 HydrophobicContact CG2-CD1 4.49Å; T70-L158 PolarHBondContact OG1-N 3.31Å |
| 71 | W | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 180 | -177 | -107.7 | 0 | 0 | 0 | 112.8 | I56 L60 F65 Y67 S68 E69 I73 G74 I75 L259 | I56-W71 HydrophobicContact CG2-CH2 4.18Å; L60-W71 HydrophobicContact CD2-CH2 3.86Å; L60-W71 HydrophobicContact CD2-CZ2 4.03Å; L60-W71 HydrophobicContact CG-CH2 4.12Å; F65-W71 HydrophobicContact CB-CB 4.42Å; F65-W71 HydrophobicContact CB-CD2 3.32Å; F65-W71 VanDerWaalsContact CB-CE2 3.47Å; F65-W71 HydrophobicContact CB-CE3 3.63Å; F65-W71 HydrophobicContact CB-CG 3.69Å; F65-W71 HydrophobicContact CB-CH2 4.17Å; F65-W71 HydrophobicContact CB-CZ2 3.9Å; F65-W71 HydrophobicContact CB-CZ3 4.05Å; Y67-W71 WeakPolarHBondContact O-CB 3.23Å; Y67-W71 PolarHBondContact O-N 3.43Å; S68-W71 PolarHBondContact O-N 2.85Å; E69-W71 VanDerWaalsContact C-N 3.33Å; E69-W71 PolarHBondContact O-N 3.07Å; W71-I73 PolarHBondContact O-N 3.45Å; W71-G74 CarbonylContact O-C 3.44Å; W71-G74 VanDerWaalsContact O-CA 3.27Å; W71-G74 WeakPolarHBondContact O-CA 3.43Å; W71-G74 PolarHBondContact O-N 3.19Å; W71-I75 PolarHBondContact O-N 3.49Å; W71-L259 HydrophobicContact CH2-CD2 4.42Å; W71-L259 HydrophobicContact CZ2-CB 4.2Å; W71-L259 HydrophobicContact CZ2-CD2 3.98Å; W71-L259 PolarHBondContact NE1-O 3.03Å |
| 72 | N | 98.7 | Very high | 98.6 | Very high | 71 Ų | 71 | 36.7 Ų | 36.7 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.4 | -38.3 | -179.2 | -72.7 | -32.7 | 0 | 0 | 0 | 111.9 | S68 E69 G74 I75 I76 | S68-N72 VanDerWaalsContact O-CB 3.28Å; S68-N72 WeakPolarHBondContact O-CB 3.48Å; S68-N72 PolarHBondContact O-N 2.91Å; S68-N72 PolarHBondContact O-ND2 3.49Å; E69-N72 PolarHBondContact O-N 2.91Å; N72-G74 VanDerWaalsContact C-N 3.27Å; N72-G74 PolarHBondContact O-N 2.92Å; N72-I75 WeakPolarHBondContact O-CB 3.29Å; N72-I75 PolarHBondContact O-N 2.95Å; N72-I76 WeakPolarHBondContact O-CG1 3.27Å; N72-I76 PolarHBondContact O-N 3.17Å; N72-I76 VanDerWaalsContact O-N 3.1Å |
| 73 | I | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 8% | 0.077 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -35.8 | 170.6 | -65.7 | 162.1 | 0 | 0 | 0 | 110.8 | E69 T70 W71 I75 I76 L77 L153 H154 F157 | E69-I73 WeakPolarHBondContact O-CD1 3.39Å; E69-I73 WeakPolarHBondContact O-CG1 3.2Å; E69-I73 PolarHBondContact O-N 3.04Å; T70-I73 PolarHBondContact O-N 2.85Å; W71-I73 PolarHBondContact O-N 3.45Å; I73-I75 VanDerWaalsContact C-N 3.3Å; I73-I75 PolarHBondContact O-N 3.31Å; I73-I76 PolarHBondContact O-N 3.49Å; I73-L77 HydrophobicContact CG2-CD1 4.2Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 WeakPolarHBondContact O-CB 3.46Å; I73-L77 WeakPolarHBondContact O-CG 3.2Å; I73-L77 PolarHBondContact O-N 3Å; I73-L153 HydrophobicContact CD1-CD2 3.92Å; I73-L153 HydrophobicContact CD1-CG 3.8Å; I73-L153 HydrophobicContact CG1-CD2 4.5Å; I73-H154 HydrophobicContact CB-CB 4.46Å; I73-H154 HydrophobicContact CG2-CB 3.69Å; I73-F157 HydrophobicContact CD1-CD2 3.16Å; I73-F157 HydrophobicContact CD1-CE2 3.44Å; I73-F157 VanDerWaalsContact CD1-CE2 3.44Å; I73-F157 HydrophobicContact CD1-CG 4.22Å |
| 74 | G | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 24% | 0.237 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -39.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T70 W71 N72 L77 L78 | T70-G74 PolarHBondContact O-N 3.38Å; W71-G74 CarbonylContact O-C 3.44Å; W71-G74 VanDerWaalsContact O-CA 3.27Å; W71-G74 WeakPolarHBondContact O-CA 3.43Å; W71-G74 PolarHBondContact O-N 3.19Å; N72-G74 VanDerWaalsContact C-N 3.27Å; N72-G74 PolarHBondContact O-N 2.92Å; G74-L77 WeakPolarHBondContact O-CB 3.45Å; G74-L77 PolarHBondContact O-N 2.49Å; G74-L78 PolarHBondContact O-N 3.4Å |
| 75 | I | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 174.4 | -61.4 | 168.6 | 0 | 0 | 0 | 110.8 | W71 N72 I73 L77 L78 L79 L259 A260 | W71-I75 PolarHBondContact O-N 3.49Å; N72-I75 WeakPolarHBondContact O-CB 3.29Å; N72-I75 PolarHBondContact O-N 2.95Å; I73-I75 VanDerWaalsContact C-N 3.3Å; I73-I75 PolarHBondContact O-N 3.31Å; I75-L77 VanDerWaalsContact C-N 3.34Å; I75-L77 PolarHBondContact O-N 3.13Å; I75-L78 WeakPolarHBondContact O-CB 3.26Å; I75-L78 PolarHBondContact O-N 3.46Å; I75-L79 HydrophobicContact CG2-CD1 4.24Å; I75-L79 WeakPolarHBondContact O-CG 3.5Å; I75-L79 PolarHBondContact O-N 3.03Å; I75-L259 HydrophobicContact CD1-CB 3.79Å; I75-L259 HydrophobicContact CG1-CB 3.95Å; I75-A260 HydrophobicContact CD1-CB 3.87Å |
| 76 | I | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 36.4 Ų | 36.4 | 44% | 0.441 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.7 | -62.1 | 169.5 | 0 | 0 | 0 | 110.6 | N72 I73 L78 L79 A80 L150 | N72-I76 WeakPolarHBondContact O-CG1 3.27Å; N72-I76 PolarHBondContact O-N 3.17Å; N72-I76 VanDerWaalsContact O-N 3.1Å; I73-I76 PolarHBondContact O-N 3.49Å; I76-L78 VanDerWaalsContact C-N 3.35Å; I76-L78 PolarHBondContact O-N 3.17Å; I76-L79 PolarHBondContact O-N 3.05Å; I76-A80 WeakPolarHBondContact O-CB 3.19Å; I76-A80 PolarHBondContact O-N 3.45Å; I76-L150 HydrophobicContact CG2-CD1 3.88Å; I76-L150 HydrophobicContact CG2-CD2 4.31Å |
| 77 | L | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 174.6 | -80.7 | 167.2 | 0 | 0 | 0 | 112.1 | I73 G74 I75 T81 I147 L150 A151 H154 | I73-L77 HydrophobicContact CG2-CD1 4.2Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 WeakPolarHBondContact O-CB 3.46Å; I73-L77 WeakPolarHBondContact O-CG 3.2Å; I73-L77 PolarHBondContact O-N 3Å; G74-L77 WeakPolarHBondContact O-CB 3.45Å; G74-L77 PolarHBondContact O-N 2.49Å; I75-L77 VanDerWaalsContact C-N 3.34Å; I75-L77 PolarHBondContact O-N 3.13Å; L77-T81 WeakPolarHBondContact O-CB 3.28Å; L77-T81 PolarHBondContact O-N 3.46Å; L77-T81 PolarHBondContact O-OG1 3.14Å; L77-I147 HydrophobicContact CD2-CG2 3.88Å; L77-I147 WeakPolarHBondContact CD2-O 3.4Å; L77-L150 HydrophobicContact CD2-CB 3.54Å; L77-L150 HydrophobicContact CG-CB 4.04Å; L77-A151 HydrophobicContact CD2-CB 4.34Å; L77-H154 HydrophobicContact CD1-CB 3.79Å |
| 78 | L | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -53.7 | 174.7 | 174.2 | 63.6 | 0 | 0 | 0 | 110.5 | L52 I56 G74 I75 I76 A80 T81 M82 I256 L259 | L52-L78 HydrophobicContact CD1-CD1 4.39Å; I56-L78 HydrophobicContact CD1-CD1 4.06Å; I56-L78 HydrophobicContact CD1-CD2 3.82Å; I56-L78 HydrophobicContact CD1-CG 4.41Å; G74-L78 PolarHBondContact O-N 3.4Å; I75-L78 WeakPolarHBondContact O-CB 3.26Å; I75-L78 PolarHBondContact O-N 3.46Å; I76-L78 VanDerWaalsContact C-N 3.35Å; I76-L78 PolarHBondContact O-N 3.17Å; L78-A80 PolarHBondContact O-N 3.45Å; L78-T81 PolarHBondContact O-N 3.48Å; L78-T81 VanDerWaalsContact O-N 3.16Å; L78-M82 HydrophobicContact CD1-CG 4.14Å; L78-M82 HydrophobicContact CD1-SD 4.05Å; L78-M82 HydrophobicContact CG-CG 4.45Å; L78-M82 HydrophobicContact CG-SD 3.93Å; L78-M82 VanDerWaalsContact O-CG 3.26Å; L78-M82 WeakPolarHBondContact O-CG 3.48Å; L78-M82 PolarHBondContact O-N 2.85Å; L78-I256 HydrophobicContact CD2-CG2 3.8Å; L78-L259 HydrophobicContact CD2-CD1 3.75Å |
| 79 | L | 98.8 | Very high | 98.7 | Very high | 71 Ų | 71 | 32.3 Ų | 32.3 | 37% | 0.372 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.5 | -42.8 | -179.5 | -69.9 | 170.6 | 0 | 0 | 0 | 112.3 | I75 I76 T81 M82 A83 I256 L257 | I75-L79 HydrophobicContact CG2-CD1 4.24Å; I75-L79 WeakPolarHBondContact O-CG 3.5Å; I75-L79 PolarHBondContact O-N 3.03Å; I76-L79 PolarHBondContact O-N 3.05Å; L79-T81 VanDerWaalsContact C-N 3.34Å; L79-T81 PolarHBondContact O-N 2.88Å; L79-M82 PolarHBondContact O-N 3.16Å; L79-A83 WeakPolarHBondContact O-CB 3.33Å; L79-A83 PolarHBondContact O-N 3.46Å; L79-I256 HydrophobicContact CD2-CG2 3.8Å; L79-I256 HydrophobicContact CG-CG2 4.45Å; L79-L257 HydrophobicContact CD1-CD2 4.21Å |
| 80 | A | 98.8 | Very high | 98.8 | Very high | 16 Ų | 16 | 27.3 Ų | 27.3 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I76 L78 A83 T84 I147 | I76-A80 WeakPolarHBondContact O-CB 3.19Å; I76-A80 PolarHBondContact O-N 3.45Å; L78-A80 PolarHBondContact O-N 3.45Å; A80-A83 PolarHBondContact O-N 2.86Å; A80-T84 WeakPolarHBondContact O-CB 3.42Å; A80-T84 PolarHBondContact O-N 3.47Å; A80-T84 PolarHBondContact O-OG1 3.04Å; A80-I147 HydrophobicContact CB-CD1 4.17Å; A80-I147 HydrophobicContact CB-CG1 3.75Å |
| 81 | T | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.9 | -41.1 | 177.2 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | F48 F49 L52 L77 L78 L79 T84 A85 | F48-T81 HydrophobicContact CD1-CG2 4.05Å; F48-T81 HydrophobicContact CE1-CG2 3.93Å; F48-T81 HydrophobicContact CG-CG2 4.47Å; F48-T81 HydrophobicContact CZ-CG2 4.2Å; F49-T81 HydrophobicContact CZ-CG2 4.26Å; L52-T81 HydrophobicContact CD1-CG2 3.74Å; L77-T81 WeakPolarHBondContact O-CB 3.28Å; L77-T81 PolarHBondContact O-N 3.46Å; L77-T81 PolarHBondContact O-OG1 3.14Å; L78-T81 PolarHBondContact O-N 3.48Å; L78-T81 VanDerWaalsContact O-N 3.16Å; L79-T81 VanDerWaalsContact C-N 3.34Å; L79-T81 PolarHBondContact O-N 2.88Å; T81-T84 PolarHBondContact O-N 3.24Å; T81-A85 WeakPolarHBondContact O-CB 3.49Å; T81-A85 PolarHBondContact O-N 3.17Å |
| 82 | M | 98.8 | Very high | 98.7 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 15% | 0.148 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58 | -49.3 | 172.7 | -68.5 | 176.1 | 77.7 | 0 | 0 | 111.5 | F49 L78 L79 T84 A85 F86 F232 I256 | F49-M82 HydrophobicContact CE1-CG 3.91Å; F49-M82 HydrophobicContact CZ-CG 4.27Å; L78-M82 HydrophobicContact CD1-CG 4.14Å; L78-M82 HydrophobicContact CD1-SD 4.05Å; L78-M82 HydrophobicContact CG-CG 4.45Å; L78-M82 HydrophobicContact CG-SD 3.93Å; L78-M82 VanDerWaalsContact O-CG 3.26Å; L78-M82 WeakPolarHBondContact O-CG 3.48Å; L78-M82 PolarHBondContact O-N 2.85Å; L79-M82 PolarHBondContact O-N 3.16Å; M82-T84 PolarHBondContact O-N 2.88Å; M82-A85 PolarHBondContact O-N 3.16Å; M82-F86 WeakPolarHBondContact O-CB 3.46Å; M82-F86 PolarHBondContact O-N 2.85Å; M82-F232 HydrophobicContact CB-CE1 3.82Å; M82-F232 HydrophobicContact CB-CZ 4.13Å; M82-F232 HydrophobicContact CE-CD1 3.79Å; M82-F232 HydrophobicContact CE-CE1 3.53Å; M82-F232 HydrophobicContact CG-CE1 3.81Å; M82-F232 HydrophobicContact CG-CZ 4.5Å; M82-I256 HydrophobicContact CE-CD1 3.9Å; M82-I256 HydrophobicContact CE-CG1 4.09Å; M82-I256 HydrophobicContact SD-CD1 4.25Å; M82-I256 HydrophobicContact SD-CG1 4.38Å; M82-I256 HydrophobicContact SD-CG2 4.38Å |
| 83 | A | 98.7 | Very high | 98.7 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 31% | 0.314 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L79 A80 A85 F86 M87 | L79-A83 WeakPolarHBondContact O-CB 3.33Å; L79-A83 PolarHBondContact O-N 3.46Å; A80-A83 PolarHBondContact O-N 2.86Å; A83-A85 PolarHBondContact O-N 3.3Å; A83-F86 PolarHBondContact O-N 2.88Å; A83-M87 VanDerWaalsContact C-CE 3.46Å; A83-M87 HydrophobicContact CB-CE 3.93Å; A83-M87 WeakPolarHBondContact O-CE 3.47Å; A83-M87 PolarHBondContact O-N 3.43Å |
| 84 | T | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 24 Ų | 24 | 8% | 0.08 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 179 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | A80 T81 M82 M87 G88 H140 L143 P144 I147 | A80-T84 WeakPolarHBondContact O-CB 3.42Å; A80-T84 PolarHBondContact O-N 3.47Å; A80-T84 PolarHBondContact O-OG1 3.04Å; T81-T84 PolarHBondContact O-N 3.24Å; M82-T84 PolarHBondContact O-N 2.88Å; T84-M87 PolarHBondContact O-N 2.82Å; T84-G88 PolarHBondContact O-N 3.44Å; T84-H140 PolarHBondContact O-CE1 3.32Å; T84-H140 PolarHBondContact O-ND1 3.18Å; T84-L143 VanDerWaalsContact OG1-CB 3.26Å; T84-L143 WeakPolarHBondContact OG1-CB 3.46Å; T84-P144 HydrophobicContact CG2-CG 3.84Å; T84-I147 WeakPolarHBondContact OG1-CD1 3.41Å |
| 85 | A | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 23.6 Ų | 23.6 | 12% | 0.124 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F49 T81 M82 A83 M87 G88 Y89 Y231 | F49-A85 HydrophobicContact CE2-CB 3.5Å; F49-A85 HydrophobicContact CZ-CB 3.84Å; T81-A85 WeakPolarHBondContact O-CB 3.49Å; T81-A85 PolarHBondContact O-N 3.17Å; M82-A85 PolarHBondContact O-N 3.16Å; A83-A85 PolarHBondContact O-N 3.3Å; A85-M87 PolarHBondContact O-N 3.02Å; A85-G88 PolarHBondContact O-N 3.11Å; A85-G88 VanDerWaalsContact O-N 3.16Å; A85-Y89 PolarHBondContact O-N 3.35Å; A85-Y231 HydrophobicContact CB-CE2 4.32Å |
| 86 | F | 98.7 | Very high | 98.6 | Very high | 30 Ų | 30 | 23 Ų | 23 | 13% | 0.132 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.6 | -52.2 | 175.1 | 164.4 | -110.1 | 0 | 0 | 0 | 111.4 | M82 A83 G88 Y89 V90 I104 T105 F136 F232 | M82-F86 WeakPolarHBondContact O-CB 3.46Å; M82-F86 PolarHBondContact O-N 2.85Å; A83-F86 PolarHBondContact O-N 2.88Å; F86-G88 VanDerWaalsContact C-N 3.3Å; F86-G88 PolarHBondContact O-N 2.74Å; F86-Y89 PolarHBondContact O-N 3.44Å; F86-V90 HydrophobicContact CE2-CG2 4.31Å; F86-V90 HydrophobicContact CZ-CG2 4.42Å; F86-V90 WeakPolarHBondContact O-CG2 3.46Å; F86-V90 PolarHBondContact O-N 3.25Å; F86-I104 HydrophobicContact CD2-CD1 3.69Å; F86-I104 HydrophobicContact CD2-CG2 4.29Å; F86-I104 HydrophobicContact CE1-CG2 4.34Å; F86-I104 HydrophobicContact CE2-CB 3.76Å; F86-I104 HydrophobicContact CE2-CD1 3.52Å; F86-I104 HydrophobicContact CE2-CG1 4.2Å; F86-I104 HydrophobicContact CE2-CG2 3.81Å; F86-I104 HydrophobicContact CZ-CB 3.97Å; F86-I104 HydrophobicContact CZ-CG2 3.82Å; F86-T105 HydrophobicContact CE1-CG2 4.33Å; F86-T105 HydrophobicContact CZ-CG2 4.12Å; F86-F136 AromaticContact CE1-CE2 3.8Å; F86-F136 HydrophobicContact CE1-CE2 3.8Å; F86-F136 HydrophobicContact CE1-CZ 4.05Å; F86-F136 HydrophobicContact CZ-CE2 4.06Å; F86-F232 HydrophobicContact CB-CE2 4.29Å; F86-F232 HydrophobicContact CB-CZ 4.42Å |
| 87 | M | 98.6 | Very high | 98.6 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.4 | -36 | 179.1 | -73.7 | 176.8 | -82.2 | 0 | 0 | 112.5 | A83 T84 A85 Y89 V90 L91 F136 F139 H140 L143 | A83-M87 VanDerWaalsContact C-CE 3.46Å; A83-M87 HydrophobicContact CB-CE 3.93Å; A83-M87 WeakPolarHBondContact O-CE 3.47Å; A83-M87 PolarHBondContact O-N 3.43Å; T84-M87 PolarHBondContact O-N 2.82Å; A85-M87 PolarHBondContact O-N 3.02Å; M87-Y89 VanDerWaalsContact C-N 3.32Å; M87-Y89 PolarHBondContact O-N 3.39Å; M87-V90 PolarHBondContact O-N 3.1Å; M87-L91 WeakPolarHBondContact O-CG 3.48Å; M87-F136 HydrophobicContact CB-CB 4.32Å; M87-F136 HydrophobicContact CB-CD2 4.37Å; M87-F136 HydrophobicContact CB-CG 4.37Å; M87-F136 HydrophobicContact CG-CB 4.3Å; M87-F136 HydrophobicContact CG-CD1 4.16Å; M87-F136 HydrophobicContact CG-CD2 3.93Å; M87-F136 HydrophobicContact CG-CE2 4.27Å; M87-F136 HydrophobicContact CG-CG 3.89Å; M87-F136 HydrophobicContact SD-CD1 4.26Å; M87-F136 HydrophobicContact SD-CG 4.45Å; M87-F139 HydrophobicContact CE-CB 4.16Å; M87-F139 HydrophobicContact SD-CB 3.43Å; M87-F139 WeakPolarHBondContact SD-CB 3.47Å; M87-F139 HydrophobicContact SD-CD2 4.4Å; M87-F139 HydrophobicContact SD-CG 4.25Å; M87-H140 HydrophobicContact CB-CB 4.1Å; M87-L143 HydrophobicContact CE-CD1 3.24Å |
| 88 | G | 98.6 | Very high | 98.6 | Very high | 17 Ų | 17 | 18.5 Ų | 18.5 | 18% | 0.175 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T84 A85 F86 V90 L91 P92 H140 | T84-G88 PolarHBondContact O-N 3.44Å; A85-G88 PolarHBondContact O-N 3.11Å; A85-G88 VanDerWaalsContact O-N 3.16Å; F86-G88 VanDerWaalsContact C-N 3.3Å; F86-G88 PolarHBondContact O-N 2.74Å; G88-V90 PolarHBondContact O-N 3.26Å; G88-L91 WeakPolarHBondContact O-CB 3.09Å; G88-L91 PolarHBondContact O-N 3.09Å; G88-P92 WeakPolarHBondContact O-CD 3.18Å; G88-H140 WeakPolarHBondContact CA-CE1 3.5Å; G88-H140 VanDerWaalsContact CA-ND1 3.25Å; G88-H140 WeakPolarHBondContact CA-ND1 3.48Å; G88-H140 PolarHBondContact N-ND1 3.48Å |
| 89 | Y | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 19.7 Ų | 19.7 | 16% | 0.161 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.8 | -18.5 | 177.7 | -169.5 | -110.6 | 0 | 0 | 0 | 113.5 | A85 F86 M87 P92 M96 S97 E229 | A85-Y89 PolarHBondContact O-N 3.35Å; F86-Y89 PolarHBondContact O-N 3.44Å; M87-Y89 VanDerWaalsContact C-N 3.32Å; M87-Y89 PolarHBondContact O-N 3.39Å; Y89-P92 WeakPolarHBondContact O-CD 3.11Å; Y89-M96 HydrophobicContact CE1-CB 3.99Å; Y89-M96 WeakPolarHBondContact OH-CB 3.38Å; Y89-S97 VanDerWaalsContact O-CB 3.28Å; Y89-S97 WeakPolarHBondContact O-CB 3.45Å; Y89-S97 PolarHBondContact O-OG 3.16Å; Y89-E229 WeakPolarHBondContact CB-OE1 3.38Å; Y89-E229 HydrophobicContact CD1-CG 4.07Å; Y89-E229 WeakPolarHBondContact CD1-OE2 3.3Å; Y89-E229 HydrophobicContact CD2-CG 3.68Å; Y89-E229 HydrophobicContact CE1-CG 4.01Å; Y89-E229 WeakPolarHBondContact CE1-OE2 3.34Å; Y89-E229 HydrophobicContact CE2-CG 3.62Å; Y89-E229 HydrophobicContact CG-CG 3.91Å |
| 90 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -77 | -28 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 112 | F86 M87 G88 W93 A101 L133 F136 | F86-V90 HydrophobicContact CE2-CG2 4.31Å; F86-V90 HydrophobicContact CZ-CG2 4.42Å; F86-V90 WeakPolarHBondContact O-CG2 3.46Å; F86-V90 PolarHBondContact O-N 3.25Å; M87-V90 PolarHBondContact O-N 3.1Å; G88-V90 PolarHBondContact O-N 3.26Å; V90-W93 HydrophobicContact CG1-CE3 4.2Å; V90-W93 HydrophobicContact CG1-CZ3 3.98Å; V90-W93 PolarHBondContact O-N 3.35Å; V90-A101 HydrophobicContact CG1-CB 4Å; V90-A101 HydrophobicContact CG2-CB 3.74Å; V90-L133 HydrophobicContact CG1-CD1 4.36Å; V90-F136 HydrophobicContact CB-CD2 3.89Å; V90-F136 HydrophobicContact CB-CE2 4.5Å; V90-F136 HydrophobicContact CG1-CD2 3.91Å; V90-F136 HydrophobicContact CG1-CE2 4.46Å; V90-F136 HydrophobicContact CG2-CD2 3.86Å; V90-F136 HydrophobicContact CG2-CE2 4Å |
| 91 | L | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 16 Ų | 16 | 8% | 0.084 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.5 | -171.4 | -54.5 | -174.9 | 0 | 0 | 0 | 115.2 | Y13 M87 G88 W93 L133 F136 F137 H140 | Y13-L91 HydrophobicContact CE1-CB 4.43Å; Y13-L91 HydrophobicContact CE2-CB 4.4Å; Y13-L91 WeakPolarHBondContact CE2-O 3.32Å; Y13-L91 PolarHBondContact OH-O 3.34Å; M87-L91 WeakPolarHBondContact O-CG 3.48Å; G88-L91 WeakPolarHBondContact O-CB 3.09Å; G88-L91 PolarHBondContact O-N 3.09Å; L91-W93 PolarHBondContact O-N 2.82Å; L91-W93 VanDerWaalsContact O-N 3.12Å; L91-L133 HydrophobicContact CD2-CD1 4.01Å; L91-F136 HydrophobicContact CD2-CB 4.46Å; L91-F137 HydrophobicContact CD1-CD2 4.07Å; L91-F137 HydrophobicContact CD2-CB 3.92Å; L91-H140 HydrophobicContact CD1-CB 4.27Å |
| 92 | P | 98.4 | Very high | 98.3 | Very high | 26 Ų | 26 | 17 Ų | 17 | 17% | 0.169 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.5 | 175.9 | -24.5 | 35.7 | 0 | 0 | 0 | 115.1 | F21 I24 G88 Y89 G94 | F21-P92 WeakPolarHBondContact CA-O 3.49Å; F21-P92 VanDerWaalsContact CD2-O 3.31Å; F21-P92 WeakPolarHBondContact CD2-O 3.3Å; I24-P92 HydrophobicContact CG1-CB 4.45Å; G88-P92 WeakPolarHBondContact O-CD 3.18Å; Y89-P92 WeakPolarHBondContact O-CD 3.11Å; P92-G94 PolarHBondContact O-N 3.11Å |
| 93 | W | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | trans | 55.8 | 35.6 | 177.7 | -150.9 | -111.6 | 0 | 0 | 0 | 114.3 | A17 A20 F21 V90 L91 F98 V128 L133 A217 | A17-W93 HydrophobicContact CB-CZ2 3.79Å; A20-W93 HydrophobicContact CB-CB 3.85Å; A20-W93 HydrophobicContact CB-CG 4.43Å; F21-W93 HydrophobicContact CB-CB 4.49Å; V90-W93 HydrophobicContact CG1-CE3 4.2Å; V90-W93 HydrophobicContact CG1-CZ3 3.98Å; V90-W93 PolarHBondContact O-N 3.35Å; L91-W93 PolarHBondContact O-N 2.82Å; L91-W93 VanDerWaalsContact O-N 3.12Å; W93-F98 HydrophobicContact CH2-CD2 4.05Å; W93-F98 HydrophobicContact CH2-CE2 4.49Å; W93-F98 AromaticContact CZ2-CD2 3.85Å; W93-F98 HydrophobicContact CZ2-CD2 3.85Å; W93-F98 HydrophobicContact CZ2-CE2 4.24Å; W93-V128 HydrophobicContact CH2-CG1 3.64Å; W93-V128 HydrophobicContact CZ3-CG1 4.04Å; W93-L133 HydrophobicContact CD2-CD2 3.85Å; W93-L133 HydrophobicContact CE3-CB 4.28Å; W93-L133 HydrophobicContact CE3-CD1 3.65Å; W93-L133 HydrophobicContact CE3-CD2 3.68Å; W93-L133 HydrophobicContact CE3-CG 4.08Å; W93-L133 HydrophobicContact CG-CD2 4.25Å; W93-L133 HydrophobicContact CH2-CB 4.19Å; W93-L133 HydrophobicContact CZ3-CB 3.84Å; W93-L133 HydrophobicContact CZ3-CD1 3.86Å; W93-L133 HydrophobicContact CZ3-CD2 4.08Å; W93-L133 HydrophobicContact CZ3-CG 4.14Å; W93-A217 HydrophobicContact CG-CB 4.44Å; W93-A217 WeakPolarHBondContact O-CB 3.34Å; W93-A217 PolarHBondContact O-N 2.97Å; W93-A217 VanDerWaalsContact O-N 3.1Å | ||
| 94 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -84.7 | -178.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.6 | P92 M96 S97 F98 N213 T215 | P92-G94 PolarHBondContact O-N 3.11Å; G94-M96 PolarHBondContact O-N 3.1Å; G94-S97 WeakPolarHBondContact O-CB 3.33Å; G94-S97 PolarHBondContact O-N 3.15Å; G94-F98 PolarHBondContact O-N 3.26Å; G94-N213 VanDerWaalsContact C-OD1 3.25Å; G94-N213 VanDerWaalsContact CA-OD1 3.22Å; G94-N213 WeakPolarHBondContact CA-OD1 3.44Å; G94-T215 CarbonylContact C-O 3.6Å; G94-T215 WeakPolarHBondContact CA-O 3.47Å |
| 95 | Q | 98.3 | Very high | 98 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 7% | 0.065 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58 | -49.6 | -179.7 | -74 | -78.1 | 61.1 | 0 | 0 | 112.4 | S97 F98 W99 D212 T215 N221 P223 | Q95-S97 VanDerWaalsContact C-N 3.35Å; Q95-S97 PolarHBondContact O-N 3.13Å; Q95-F98 PolarHBondContact O-N 3.37Å; Q95-W99 WeakPolarHBondContact O-CB 3.44Å; Q95-W99 PolarHBondContact O-N 2.96Å; Q95-D212 HydrophobicContact CB-CB 4.48Å; Q95-D212 WeakPolarHBondContact CB-O 3.36Å; Q95-T215 HydrophobicContact CG-CG2 4.07Å; Q95-T215 PolarHBondContact N-O 3.4Å; Q95-N221 PolarHBondContact NE2-O 2.81Å; Q95-P223 HydrophobicContact CB-CG 3.88Å |
| 96 | M | 97.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68 | -35.5 | -180 | -68.4 | -61.2 | 158.1 | 0 | 0 | 112.2 | Y89 G94 G100 D210 D212 N213 P223 | Y89-M96 HydrophobicContact CE1-CB 3.99Å; Y89-M96 WeakPolarHBondContact OH-CB 3.38Å; G94-M96 PolarHBondContact O-N 3.1Å; M96-G100 WeakPolarHBondContact O-CA 3.45Å; M96-G100 PolarHBondContact O-N 2.86Å; M96-D210 HydrophobicContact CG-CB 4.17Å; M96-D212 HydrophobicContact CE-CB 3.44Å; M96-D212 VanDerWaalsContact CE-CB 3.44Å; M96-D212 WeakPolarHBondContact CE-OD2 3.41Å; M96-D212 HydrophobicContact CG-CB 3.84Å; M96-N213 HydrophobicContact CB-CB 4.12Å; M96-N213 PolarHBondContact N-OD1 2.75Å; M96-P223 HydrophobicContact CE-CB 3.46Å; M96-P223 VanDerWaalsContact CE-CB 3.46Å; M96-P223 HydrophobicContact CE-CG 3.77Å |
| 97 | S | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56 | -54.1 | 172.1 | -64.5 | 0 | 0 | 0 | 0 | 112 | Y89 G94 Q95 A101 N213 | Y89-S97 VanDerWaalsContact O-CB 3.28Å; Y89-S97 WeakPolarHBondContact O-CB 3.45Å; Y89-S97 PolarHBondContact O-OG 3.16Å; G94-S97 WeakPolarHBondContact O-CB 3.33Å; G94-S97 PolarHBondContact O-N 3.15Å; Q95-S97 VanDerWaalsContact C-N 3.35Å; Q95-S97 PolarHBondContact O-N 3.13Å; S97-A101 VanDerWaalsContact O-CB 3.3Å; S97-A101 WeakPolarHBondContact O-CB 3.39Å; S97-A101 PolarHBondContact O-N 2.89Å; S97-N213 PolarHBondContact N-OD1 3.36Å; S97-N213 PolarHBondContact OG-ND2 3.11Å; S97-N213 PolarHBondContact OG-OD1 3.23Å |
| 98 | F | 98.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 5% | 0.053 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.4 | -48.4 | -175.6 | 177.5 | -89.2 | 0 | 0 | 0 | 112.4 | W93 G94 Q95 A101 T102 V128 A217 P219 | W93-F98 HydrophobicContact CH2-CD2 4.05Å; W93-F98 HydrophobicContact CH2-CE2 4.49Å; W93-F98 AromaticContact CZ2-CD2 3.85Å; W93-F98 HydrophobicContact CZ2-CD2 3.85Å; W93-F98 HydrophobicContact CZ2-CE2 4.24Å; G94-F98 PolarHBondContact O-N 3.26Å; Q95-F98 PolarHBondContact O-N 3.37Å; F98-A101 PolarHBondContact O-N 3.4Å; F98-T102 WeakPolarHBondContact O-CB 3.39Å; F98-T102 PolarHBondContact O-N 3.25Å; F98-T102 PolarHBondContact O-OG1 3Å; F98-V128 HydrophobicContact CD2-CB 4.49Å; F98-V128 HydrophobicContact CD2-CG1 4Å; F98-V128 HydrophobicContact CE2-CB 4.06Å; F98-V128 HydrophobicContact CE2-CG1 4Å; F98-V128 VanDerWaalsContact CE2-O 3.29Å; F98-V128 WeakPolarHBondContact CE2-O 3.45Å; F98-V128 HydrophobicContact CZ-CB 4.48Å; F98-A217 HydrophobicContact CB-CB 3.51Å; F98-A217 HydrophobicContact CD2-CB 4.23Å; F98-A217 HydrophobicContact CG-CB 3.96Å; F98-P219 HydrophobicContact CE1-CB 4.16Å; F98-P219 HydrophobicContact CE1-CG 4.4Å; F98-P219 HydrophobicContact CE2-CG 4.21Å; F98-P219 HydrophobicContact CZ-CB 3.86Å; F98-P219 HydrophobicContact CZ-CG 3.89Å |
| 99 | W | 98.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 24.3 Ų | 24.3 | 12% | 0.121 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.2 | -35.3 | -177.7 | -72.1 | 109.8 | 0 | 0 | 0 | 112.3 | Q95 T102 V103 N218 P219 N221 T222 I226 | Q95-W99 WeakPolarHBondContact O-CB 3.44Å; Q95-W99 PolarHBondContact O-N 2.96Å; W99-T102 PolarHBondContact O-N 3.45Å; W99-V103 WeakPolarHBondContact O-CB 3.12Å; W99-V103 WeakPolarHBondContact O-CG2 3.4Å; W99-V103 PolarHBondContact O-N 3.11Å; W99-N218 WeakPolarHBondContact CZ2-O 3.06Å; W99-N218 PolarHBondContact NE1-O 3.12Å; W99-P219 WeakPolarHBondContact CH2-O 3.16Å; W99-P219 WeakPolarHBondContact CZ2-O 3.46Å; W99-N221 PolarHBondContact NE1-O 2.71Å; W99-T222 HydrophobicContact CD2-CG2 4.17Å; W99-T222 HydrophobicContact CE3-CG2 4.18Å; W99-T222 WeakPolarHBondContact CH2-OG1 3.37Å; W99-T222 VanDerWaalsContact CZ2-OG1 3.28Å; W99-T222 WeakPolarHBondContact CZ2-OG1 3.25Å; W99-T222 HydrophobicContact CZ3-CG2 4.41Å; W99-I226 HydrophobicContact CB-CD1 3.57Å; W99-I226 HydrophobicContact CB-CG1 3.9Å; W99-I226 HydrophobicContact CB-CG2 4.22Å; W99-I226 HydrophobicContact CD2-CD1 4.21Å; W99-I226 HydrophobicContact CE3-CD1 4.35Å; W99-I226 HydrophobicContact CG-CD1 3.9Å; W99-I226 HydrophobicContact CG-CG1 4.43Å |
| 100 | G | 96.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 23 Ų | 23 | 10% | 0.103 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M96 T102 V103 I104 | M96-G100 WeakPolarHBondContact O-CA 3.45Å; M96-G100 PolarHBondContact O-N 2.86Å; G100-T102 VanDerWaalsContact C-N 3.34Å; G100-T102 PolarHBondContact O-N 2.94Å; G100-V103 PolarHBondContact O-N 3.23Å; G100-I104 VanDerWaalsContact O-CB 3.3Å; G100-I104 WeakPolarHBondContact O-CB 3.33Å; G100-I104 WeakPolarHBondContact O-CG1 3.48Å; G100-I104 PolarHBondContact O-N 3.32Å |
| 101 | A | 97.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V90 S97 F98 T105 V128 | V90-A101 HydrophobicContact CG1-CB 4Å; V90-A101 HydrophobicContact CG2-CB 3.74Å; S97-A101 VanDerWaalsContact O-CB 3.3Å; S97-A101 WeakPolarHBondContact O-CB 3.39Å; S97-A101 PolarHBondContact O-N 2.89Å; F98-A101 PolarHBondContact O-N 3.4Å; A101-T105 WeakPolarHBondContact O-CB 3.5Å; A101-T105 WeakPolarHBondContact O-CG2 3.46Å; A101-T105 PolarHBondContact O-N 2.94Å; A101-T105 VanDerWaalsContact O-N 3.07Å; A101-T105 PolarHBondContact O-OG1 2.88Å; A101-V128 HydrophobicContact CB-CG1 4.19Å; A101-V128 HydrophobicContact CB-CG2 4.27Å |
| 102 | T | 97.7 | Very high | 97.4 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 18% | 0.184 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -49.8 | -179.1 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | F98 W99 G100 N106 | F98-T102 WeakPolarHBondContact O-CB 3.39Å; F98-T102 PolarHBondContact O-N 3.25Å; F98-T102 PolarHBondContact O-OG1 3Å; W99-T102 PolarHBondContact O-N 3.45Å; G100-T102 VanDerWaalsContact C-N 3.34Å; G100-T102 PolarHBondContact O-N 2.94Å; T102-N106 WeakPolarHBondContact O-CB 3.38Å; T102-N106 PolarHBondContact O-N 3.3Å |
| 103 | V | 96.9 | Very high | 97.3 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.6 | -49.8 | -177.3 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | W99 G100 N106 L107 | W99-V103 WeakPolarHBondContact O-CB 3.12Å; W99-V103 WeakPolarHBondContact O-CG2 3.4Å; W99-V103 PolarHBondContact O-N 3.11Å; G100-V103 PolarHBondContact O-N 3.23Å; V103-N106 PolarHBondContact O-N 3.01Å; V103-L107 PolarHBondContact O-N 3.4Å |
| 104 | I | 96.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.4 | -46.1 | -173.3 | -69.2 | 169.8 | 0 | 0 | 0 | 111.1 | F86 G100 N106 L107 | F86-I104 HydrophobicContact CD2-CD1 3.69Å; F86-I104 HydrophobicContact CD2-CG2 4.29Å; F86-I104 HydrophobicContact CE1-CG2 4.34Å; F86-I104 HydrophobicContact CE2-CB 3.76Å; F86-I104 HydrophobicContact CE2-CD1 3.52Å; F86-I104 HydrophobicContact CE2-CG1 4.2Å; F86-I104 HydrophobicContact CE2-CG2 3.81Å; F86-I104 HydrophobicContact CZ-CB 3.97Å; F86-I104 HydrophobicContact CZ-CG2 3.82Å; G100-I104 VanDerWaalsContact O-CB 3.3Å; G100-I104 WeakPolarHBondContact O-CB 3.33Å; G100-I104 WeakPolarHBondContact O-CG1 3.48Å; G100-I104 PolarHBondContact O-N 3.32Å; I104-N106 VanDerWaalsContact C-N 3.33Å; I104-N106 PolarHBondContact O-N 3.28Å; I104-L107 VanDerWaalsContact O-CB 3.22Å; I104-L107 WeakPolarHBondContact O-CB 3.27Å; I104-L107 WeakPolarHBondContact O-CG 3.4Å; I104-L107 PolarHBondContact O-N 3.18Å |
| 105 | T | 97.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.6 | -34.9 | 179.1 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | F86 A101 L107 L108 V119 I122 W123 F136 | F86-T105 HydrophobicContact CE1-CG2 4.33Å; F86-T105 HydrophobicContact CZ-CG2 4.12Å; A101-T105 WeakPolarHBondContact O-CB 3.5Å; A101-T105 WeakPolarHBondContact O-CG2 3.46Å; A101-T105 PolarHBondContact O-N 2.94Å; A101-T105 VanDerWaalsContact O-N 3.07Å; A101-T105 PolarHBondContact O-OG1 2.88Å; T105-L107 PolarHBondContact O-N 3.33Å; T105-L107 VanDerWaalsContact O-N 3.14Å; T105-L108 WeakPolarHBondContact O-CB 3.4Å; T105-L108 PolarHBondContact O-N 3.37Å; T105-L108 VanDerWaalsContact O-N 3.1Å; T105-V119 WeakPolarHBondContact O-CG2 3.5Å; T105-I122 HydrophobicContact CG2-CG2 4.24Å; T105-W123 PolarHBondContact OG1-NE1 2.82Å; T105-F136 HydrophobicContact CG2-CZ 3.9Å |
| 106 | N | 97.2 | Very high | 97.2 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -70.1 | -5.7 | 177 | -166.7 | 43.1 | 0 | 0 | 0 | 113.9 | T102 V103 I104 L108 S109 W123 K245 | T102-N106 WeakPolarHBondContact O-CB 3.38Å; T102-N106 PolarHBondContact O-N 3.3Å; V103-N106 PolarHBondContact O-N 3.01Å; I104-N106 VanDerWaalsContact C-N 3.33Å; I104-N106 PolarHBondContact O-N 3.28Å; N106-L108 PolarHBondContact O-N 3.11Å; N106-S109 VanDerWaalsContact O-CB 3.32Å; N106-S109 WeakPolarHBondContact O-CB 3.46Å; N106-S109 PolarHBondContact O-N 3.09Å; N106-S109 PolarHBondContact O-OG 3.35Å; N106-S109 WeakPolarHBondContact OD1-CB 3.49Å; N106-W123 HydrophobicContact CB-CH2 4.43Å; N106-W123 HydrophobicContact CB-CZ2 4.22Å; N106-K245 PolarHBondContact O-NZ 2.91Å |
| 107 | L | 95.7 | Very high | 97.2 | Very high | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -62.9 | -31.2 | 167.2 | -64.1 | -178.9 | 0 | 0 | 0 | 111.5 | V103 I104 T105 S109 A110 L239 V249 L252 | V103-L107 PolarHBondContact O-N 3.4Å; I104-L107 VanDerWaalsContact O-CB 3.22Å; I104-L107 WeakPolarHBondContact O-CB 3.27Å; I104-L107 WeakPolarHBondContact O-CG 3.4Å; I104-L107 PolarHBondContact O-N 3.18Å; T105-L107 PolarHBondContact O-N 3.33Å; T105-L107 VanDerWaalsContact O-N 3.14Å; L107-S109 PolarHBondContact O-N 3.25Å; L107-A110 WeakPolarHBondContact O-CB 3.46Å; L107-A110 PolarHBondContact O-N 3.37Å; L107-L239 HydrophobicContact CD1-CD2 3.98Å; L107-L239 HydrophobicContact CD2-CD1 4.32Å; L107-L239 HydrophobicContact CD2-CD2 4.13Å; L107-V249 HydrophobicContact CB-CG2 3.81Å; L107-V249 HydrophobicContact CD2-CG2 3.89Å; L107-V249 HydrophobicContact CG-CG2 4.31Å; L107-L252 HydrophobicContact CD1-CD2 3.74Å |
| 108 | L | 95.9 | Very high | 97.3 | Very high | 63 Ų | 63 | 53.6 Ų | 53.6 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -65 | -21.9 | 176.8 | -63.9 | 171.9 | 0 | 0 | 0 | 112.7 | T105 N106 A110 I111 G115 V119 I122 | T105-L108 WeakPolarHBondContact O-CB 3.4Å; T105-L108 PolarHBondContact O-N 3.37Å; T105-L108 VanDerWaalsContact O-N 3.1Å; N106-L108 PolarHBondContact O-N 3.11Å; L108-A110 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact O-N 3.08Å; L108-I111 HydrophobicContact CD2-CD1 4.12Å; L108-I111 WeakPolarHBondContact O-CB 3.34Å; L108-I111 WeakPolarHBondContact O-CG1 3.37Å; L108-I111 PolarHBondContact O-N 3.2Å; L108-G115 VanDerWaalsContact O-CA 3.26Å; L108-G115 WeakPolarHBondContact O-CA 3.44Å; L108-V119 HydrophobicContact CB-CG2 3.89Å; L108-I122 HydrophobicContact CD1-CD1 3.16Å |
| 109 | S | 97.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -63.7 | -13.3 | 173.6 | 118.3 | 0 | 0 | 0 | 0 | 112.9 | N106 L107 K245 | N106-S109 VanDerWaalsContact O-CB 3.32Å; N106-S109 WeakPolarHBondContact O-CB 3.46Å; N106-S109 PolarHBondContact O-N 3.09Å; N106-S109 PolarHBondContact O-OG 3.35Å; N106-S109 WeakPolarHBondContact OD1-CB 3.49Å; L107-S109 PolarHBondContact O-N 3.25Å; S109-K245 PolarHBondContact OG-NZ 3.34Å |
| 110 | A | 96.9 | Very high | 97.2 | Very high | 15 Ų | 15 | 55.2 Ų | 55.2 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -72.3 | -17.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | L107 L108 P112 K245 L246 V249 | L107-A110 WeakPolarHBondContact O-CB 3.46Å; L107-A110 PolarHBondContact O-N 3.37Å; L108-A110 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact O-N 3.08Å; A110-P112 WeakPolarHBondContact O-CD 3.46Å; A110-K245 HydrophobicContact CB-CD 4.34Å; A110-K245 HydrophobicContact CB-CG 4.06Å; A110-L246 HydrophobicContact CB-CB 4.44Å; A110-L246 HydrophobicContact CB-CD1 4.32Å; A110-V249 HydrophobicContact CB-CB 4.38Å; A110-V249 HydrophobicContact CB-CG2 4.02Å |
| 111 | I | 97.4 | Very high | 97.3 | Very high | 62 Ų | 62 | 63.8 Ų | 63.8 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -67.3 | 122.3 | 178.7 | -60.6 | 171.1 | 0 | 0 | 0 | 108.9 | L108 I114 G115 L118 | L108-I111 HydrophobicContact CD2-CD1 4.12Å; L108-I111 WeakPolarHBondContact O-CB 3.34Å; L108-I111 WeakPolarHBondContact O-CG1 3.37Å; L108-I111 PolarHBondContact O-N 3.2Å; I111-I114 HydrophobicContact CG2-CD1 4.15Å; I111-I114 HydrophobicContact CG2-CG1 3.66Å; I111-G115 VanDerWaalsContact O-CA 3.31Å; I111-G115 WeakPolarHBondContact O-CA 2.92Å; I111-G115 PolarHBondContact O-N 3.3Å; I111-L118 HydrophobicContact CD1-CD1 3.96Å |
| 112 | P | 97.1 | Very high | 97.3 | Very high | 74 Ų | 74 | 65.6 Ų | 65.6 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 144.6 | 179.2 | -25.7 | 35.3 | 0 | 0 | 0 | 112.3 | A110 I114 | A110-P112 WeakPolarHBondContact O-CD 3.46Å; P112-I114 PolarHBondContact O-N 3.44Å |
| 113 | Y | 96.9 | Very high | 97.4 | Very high | 233 Ų | 233 | 65.2 Ų | 65.2 | 91% | 0.914 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -51.5 | 176.6 | -43.9 | -69.2 | 0 | 0 | 0 | 115.6 | ||
| 114 | I | 98 | Very high | 97.4 | Very high | 93 Ų | 93 | 63.8 Ų | 63.8 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -6.7 | -170.6 | 62.8 | 172.9 | 0 | 0 | 0 | 114.2 | I111 P112 T116 D117 L118 | I111-I114 HydrophobicContact CG2-CD1 4.15Å; I111-I114 HydrophobicContact CG2-CG1 3.66Å; P112-I114 PolarHBondContact O-N 3.44Å; I114-T116 PolarHBondContact O-N 3.41Å; I114-D117 PolarHBondContact O-N 2.77Å; I114-L118 HydrophobicContact CD1-CD1 3.83Å; I114-L118 HydrophobicContact CG1-CD1 3.92Å; I114-L118 HydrophobicContact CG1-CG 4.49Å; I114-L118 WeakPolarHBondContact O-CG 3.37Å; I114-L118 PolarHBondContact O-N 3.16Å |
| 115 | G | 97.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L108 I111 L118 V119 | L108-G115 VanDerWaalsContact O-CA 3.26Å; L108-G115 WeakPolarHBondContact O-CA 3.44Å; I111-G115 VanDerWaalsContact O-CA 3.31Å; I111-G115 WeakPolarHBondContact O-CA 2.92Å; I111-G115 PolarHBondContact O-N 3.3Å; G115-L118 PolarHBondContact O-N 2.86Å; G115-V119 WeakPolarHBondContact O-CG2 3.4Å; G115-V119 PolarHBondContact O-N 3.19Å; G115-V119 VanDerWaalsContact O-N 3.1Å |
| 116 | T | 97.4 | Very high | 97.4 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | I114 L118 V119 Q120 | I114-T116 PolarHBondContact O-N 3.41Å; T116-L118 VanDerWaalsContact C-N 3.34Å; T116-L118 PolarHBondContact O-N 3.02Å; T116-V119 PolarHBondContact O-N 2.83Å; T116-Q120 PolarHBondContact O-N 3.14Å |
| 117 | D | 98.3 | Very high | 97.4 | Very high | 108 Ų | 108 | 71.8 Ų | 71.8 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 178.9 | -62 | -20.5 | 0 | 0 | 0 | 111 | I114 V119 Q120 W121 | I114-D117 PolarHBondContact O-N 2.77Å; D117-V119 PolarHBondContact O-N 2.92Å; D117-Q120 PolarHBondContact O-N 3.16Å; D117-W121 WeakPolarHBondContact O-CB 3.45Å; D117-W121 PolarHBondContact O-N 2.73Å |
| 118 | L | 98.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 70.6 Ų | 70.6 | 29% | 0.293 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.9 | -74.9 | 175.2 | 0 | 0 | 0 | 112.3 | I111 I114 G115 T116 W121 I122 | I111-L118 HydrophobicContact CD1-CD1 3.96Å; I114-L118 HydrophobicContact CD1-CD1 3.83Å; I114-L118 HydrophobicContact CG1-CD1 3.92Å; I114-L118 HydrophobicContact CG1-CG 4.49Å; I114-L118 WeakPolarHBondContact O-CG 3.37Å; I114-L118 PolarHBondContact O-N 3.16Å; G115-L118 PolarHBondContact O-N 2.86Å; T116-L118 VanDerWaalsContact C-N 3.34Å; T116-L118 PolarHBondContact O-N 3.02Å; L118-W121 PolarHBondContact O-N 3.39Å; L118-I122 WeakPolarHBondContact O-CB 3.43Å; L118-I122 VanDerWaalsContact O-CG1 3.32Å; L118-I122 WeakPolarHBondContact O-CG1 3.42Å; L118-I122 PolarHBondContact O-N 2.98Å |
| 119 | V | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -50.2 | 178 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | T105 L108 G115 T116 D117 W121 I122 W123 | T105-V119 WeakPolarHBondContact O-CG2 3.5Å; L108-V119 HydrophobicContact CB-CG2 3.89Å; G115-V119 WeakPolarHBondContact O-CG2 3.4Å; G115-V119 PolarHBondContact O-N 3.19Å; G115-V119 VanDerWaalsContact O-N 3.1Å; T116-V119 PolarHBondContact O-N 2.83Å; D117-V119 PolarHBondContact O-N 2.92Å; V119-W121 VanDerWaalsContact C-N 3.28Å; V119-W121 PolarHBondContact O-N 2.97Å; V119-I122 PolarHBondContact O-N 2.85Å; V119-W123 HydrophobicContact CG1-CD2 3.67Å; V119-W123 VanDerWaalsContact CG1-CE2 3.46Å; V119-W123 HydrophobicContact CG1-CE3 3.71Å; V119-W123 HydrophobicContact CG1-CH2 3.44Å; V119-W123 VanDerWaalsContact CG1-CH2 3.44Å; V119-W123 HydrophobicContact CG1-CZ2 3.37Å; V119-W123 HydrophobicContact CG1-CZ3 3.6Å; V119-W123 PolarHBondContact O-N 3.45Å |
| 120 | Q | 98.2 | Very high | 97.6 | Very high | 73 Ų | 73 | 71.1 Ų | 71.1 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 178.7 | -69.1 | -178 | -0.8 | 0 | 0 | 112.1 | T116 D117 W123 G124 G125 | T116-Q120 PolarHBondContact O-N 3.14Å; D117-Q120 PolarHBondContact O-N 3.16Å; Q120-W123 PolarHBondContact O-N 2.96Å; Q120-G124 WeakPolarHBondContact O-CA 3.35Å; Q120-G124 PolarHBondContact O-N 3.49Å; Q120-G125 WeakPolarHBondContact CA-O 3.21Å; Q120-G125 PolarHBondContact O-N 3.23Å |
| 121 | W | 98.3 | Very high | 97.6 | Very high | 190 Ų | 190 | 73.3 Ų | 73.3 | 72% | 0.72 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 173.5 | 179.9 | 76.5 | 0 | 0 | 0 | 111.7 | D117 L118 V119 W123 G124 R135 | D117-W121 WeakPolarHBondContact O-CB 3.45Å; D117-W121 PolarHBondContact O-N 2.73Å; L118-W121 PolarHBondContact O-N 3.39Å; V119-W121 VanDerWaalsContact C-N 3.28Å; V119-W121 PolarHBondContact O-N 2.97Å; W121-W123 VanDerWaalsContact C-N 3.33Å; W121-W123 PolarHBondContact O-N 2.93Å; W121-G124 PolarHBondContact O-N 3.46Å; W121-R135 PolarHBondContact O-NH1 3.48Å |
| 122 | I | 97.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 70.4 Ų | 70.4 | 20% | 0.195 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 175.3 | -73 | 168.1 | 0 | 0 | 0 | 111.4 | T105 L108 L118 V119 R135 F136 | T105-I122 HydrophobicContact CG2-CG2 4.24Å; L108-I122 HydrophobicContact CD1-CD1 3.16Å; L118-I122 WeakPolarHBondContact O-CB 3.43Å; L118-I122 VanDerWaalsContact O-CG1 3.32Å; L118-I122 WeakPolarHBondContact O-CG1 3.42Å; L118-I122 PolarHBondContact O-N 2.98Å; V119-I122 PolarHBondContact O-N 2.85Å; I122-R135 WeakPolarHBondContact O-CD 3.21Å; I122-R135 PolarHBondContact O-NE 3.13Å; I122-R135 PolarHBondContact O-NH1 2.92Å; I122-F136 HydrophobicContact CG2-CE1 4.22Å; I122-F136 HydrophobicContact CG2-CZ 4.47Å |
| 123 | W | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 9% | 0.087 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -75 | -32 | 175.5 | -65.1 | -15.4 | 0 | 0 | 0 | 112.5 | T105 N106 V119 Q120 W121 G125 Y126 S127 V128 T132 | T105-W123 PolarHBondContact OG1-NE1 2.82Å; N106-W123 HydrophobicContact CB-CH2 4.43Å; N106-W123 HydrophobicContact CB-CZ2 4.22Å; V119-W123 HydrophobicContact CG1-CD2 3.67Å; V119-W123 VanDerWaalsContact CG1-CE2 3.46Å; V119-W123 HydrophobicContact CG1-CE3 3.71Å; V119-W123 HydrophobicContact CG1-CH2 3.44Å; V119-W123 VanDerWaalsContact CG1-CH2 3.44Å; V119-W123 HydrophobicContact CG1-CZ2 3.37Å; V119-W123 HydrophobicContact CG1-CZ3 3.6Å; V119-W123 PolarHBondContact O-N 3.45Å; Q120-W123 PolarHBondContact O-N 2.96Å; W121-W123 VanDerWaalsContact C-N 3.33Å; W121-W123 PolarHBondContact O-N 2.93Å; W123-G125 VanDerWaalsContact C-N 3.28Å; W123-Y126 WeakPolarHBondContact CZ3-O 3.47Å; W123-S127 VanDerWaalsContact CE3-CA 3.46Å; W123-V128 HydrophobicContact CD2-CG2 4.31Å; W123-V128 HydrophobicContact CG-CG2 4.34Å; W123-V128 HydrophobicContact CZ2-CG2 4.24Å; W123-T132 WeakPolarHBondContact CA-OG1 3.38Å; W123-T132 PolarHBondContact O-N 2.83Å; W123-T132 PolarHBondContact O-OG1 3.45Å |
| 124 | G | 97.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 30.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q120 W121 | Q120-G124 WeakPolarHBondContact O-CA 3.35Å; Q120-G124 PolarHBondContact O-N 3.49Å; W121-G124 PolarHBondContact O-N 3.46Å |
| 125 | G | 96.6 | Very high | 97.8 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 173.9 | -170.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111 | Q120 W123 | Q120-G125 WeakPolarHBondContact CA-O 3.21Å; Q120-G125 PolarHBondContact O-N 3.23Å; W123-G125 VanDerWaalsContact C-N 3.28Å |
| 126 | Y | 97.3 | Very high | 97.8 | Very high | 198 Ų | 198 | 58 Ų | 58 | 78% | 0.776 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -86.7 | -11.5 | -177.4 | -59.2 | -69.2 | 0 | 0 | 0 | 114 | W123 | W123-Y126 WeakPolarHBondContact CZ3-O 3.47Š|
| 127 | S | 96.8 | Very high | 97.9 | Very high | 64 Ų | 64 | 56 Ų | 56 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -150.2 | 168.5 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 110 | W123 D129 | W123-S127 VanDerWaalsContact CE3-CA 3.46Å; S127-D129 PolarHBondContact O-N 3.07Å |
| 128 | V | 98 | Very high | 97.9 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -62.1 | 124.5 | 166.8 | 174.6 | 0 | 0 | 0 | 0 | 109 | W93 F98 A101 W123 T132 | W93-V128 HydrophobicContact CH2-CG1 3.64Å; W93-V128 HydrophobicContact CZ3-CG1 4.04Å; F98-V128 HydrophobicContact CD2-CB 4.49Å; F98-V128 HydrophobicContact CD2-CG1 4Å; F98-V128 HydrophobicContact CE2-CB 4.06Å; F98-V128 HydrophobicContact CE2-CG1 4Å; F98-V128 VanDerWaalsContact CE2-O 3.29Å; F98-V128 WeakPolarHBondContact CE2-O 3.45Å; F98-V128 HydrophobicContact CZ-CB 4.48Å; A101-V128 HydrophobicContact CB-CG1 4.19Å; A101-V128 HydrophobicContact CB-CG2 4.27Å; W123-V128 HydrophobicContact CD2-CG2 4.31Å; W123-V128 HydrophobicContact CG-CG2 4.34Å; W123-V128 HydrophobicContact CZ2-CG2 4.24Å; V128-T132 HydrophobicContact CG1-CG2 4.23Å |
| 129 | D | 97 | Very high | 97.9 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -158.1 | -170.1 | -179.3 | -160.1 | -4.3 | 0 | 0 | 0 | 110.4 | S127 P131 T132 L133 | S127-D129 PolarHBondContact O-N 3.07Å; D129-P131 VanDerWaalsContact C-CD 3.43Å; D129-P131 VanDerWaalsContact C-N 3.33Å; D129-T132 PolarHBondContact N-OG1 3.01Å; D129-T132 WeakPolarHBondContact O-CA 3.49Å; D129-T132 VanDerWaalsContact O-CB 3.26Å; D129-T132 WeakPolarHBondContact O-CB 3.48Å; D129-T132 PolarHBondContact O-N 3.17Å; D129-L133 PolarHBondContact O-N 3.11Å; D129-L133 VanDerWaalsContact O-N 3.12Å |
| 130 | S | 97 | Very high | 98 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -45.1 | -45.8 | 179 | -81.4 | 0 | 0 | 0 | 0 | 114.1 | D16 A17 T132 L133 T134 | D16-S130 PolarHBondContact OD2-OG 2.86Å; A17-S130 VanDerWaalsContact CB-OG 3.24Å; A17-S130 WeakPolarHBondContact CB-OG 3.5Å; A17-S130 PolarHBondContact N-OG 3.24Å; S130-T132 VanDerWaalsContact C-N 3.25Å; S130-T132 PolarHBondContact O-N 3.4Å; S130-L133 PolarHBondContact O-N 3.33Å; S130-T134 PolarHBondContact O-N 3.13Å; S130-T134 PolarHBondContact O-OG1 2.88Å; S130-T134 VanDerWaalsContact O-OG1 3.11Å |
| 131 | P | 98.1 | Very high | 98 | Very high | 61 Ų | 61 | 58.9 Ų | 58.9 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.7 | -35.8 | 176.6 | -25.3 | 35.5 | 0 | 0 | 0 | 113.7 | D129 R135 | D129-P131 VanDerWaalsContact C-CD 3.43Å; D129-P131 VanDerWaalsContact C-N 3.33Å; P131-R135 WeakPolarHBondContact O-CG 3.36Å; P131-R135 PolarHBondContact O-N 3.11Å; P131-R135 PolarHBondContact O-NE 3.05Å |
| 132 | T | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 175.1 | -47 | 0 | 0 | 0 | 0 | 111.3 | W123 V128 D129 S130 R135 F136 | W123-T132 WeakPolarHBondContact CA-OG1 3.38Å; W123-T132 PolarHBondContact O-N 2.83Å; W123-T132 PolarHBondContact O-OG1 3.45Å; V128-T132 HydrophobicContact CG1-CG2 4.23Å; D129-T132 PolarHBondContact N-OG1 3.01Å; D129-T132 WeakPolarHBondContact O-CA 3.49Å; D129-T132 VanDerWaalsContact O-CB 3.26Å; D129-T132 WeakPolarHBondContact O-CB 3.48Å; D129-T132 PolarHBondContact O-N 3.17Å; S130-T132 VanDerWaalsContact C-N 3.25Å; S130-T132 PolarHBondContact O-N 3.4Å; T132-R135 WeakPolarHBondContact O-CG 3.41Å; T132-F136 HydrophobicContact CG2-CD1 4.32Å; T132-F136 HydrophobicContact CG2-CD2 4.46Å; T132-F136 HydrophobicContact CG2-CE1 4.07Å; T132-F136 HydrophobicContact CG2-CE2 4.24Å; T132-F136 HydrophobicContact CG2-CG 4.5Å; T132-F136 HydrophobicContact CG2-CZ 4.03Å; T132-F136 WeakPolarHBondContact O-CB 3.4Å; T132-F136 WeakPolarHBondContact O-CG 3.34Å; T132-F136 PolarHBondContact O-N 2.97Å |
| 133 | L | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -44.8 | -178.8 | -173 | 55.3 | 0 | 0 | 0 | 112 | Y13 A20 V90 L91 W93 D129 S130 R135 F136 F137 | Y13-L133 WeakPolarHBondContact OH-CD1 3.34Å; A20-L133 HydrophobicContact CB-CD2 3.54Å; V90-L133 HydrophobicContact CG1-CD1 4.36Å; L91-L133 HydrophobicContact CD2-CD1 4.01Å; W93-L133 HydrophobicContact CD2-CD2 3.85Å; W93-L133 HydrophobicContact CE3-CB 4.28Å; W93-L133 HydrophobicContact CE3-CD1 3.65Å; W93-L133 HydrophobicContact CE3-CD2 3.68Å; W93-L133 HydrophobicContact CE3-CG 4.08Å; W93-L133 HydrophobicContact CG-CD2 4.25Å; W93-L133 HydrophobicContact CH2-CB 4.19Å; W93-L133 HydrophobicContact CZ3-CB 3.84Å; W93-L133 HydrophobicContact CZ3-CD1 3.86Å; W93-L133 HydrophobicContact CZ3-CD2 4.08Å; W93-L133 HydrophobicContact CZ3-CG 4.14Å; D129-L133 PolarHBondContact O-N 3.11Å; D129-L133 VanDerWaalsContact O-N 3.12Å; S130-L133 PolarHBondContact O-N 3.33Å; L133-R135 PolarHBondContact O-N 2.95Å; L133-F136 PolarHBondContact O-N 3.14Å; L133-F137 PolarHBondContact O-N 3.21Å |
| 134 | T | 98.4 | Very high | 98.1 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 179.9 | -50 | 0 | 0 | 0 | 0 | 112.6 | P15 S130 T138 | P15-T134 PolarHBondContact O-OG1 3.5Å; S130-T134 PolarHBondContact O-N 3.13Å; S130-T134 PolarHBondContact O-OG1 2.88Å; S130-T134 VanDerWaalsContact O-OG1 3.11Å; T134-T138 PolarHBondContact O-N 3.04Å; T134-T138 VanDerWaalsContact O-N 3.13Å; T134-T138 PolarHBondContact O-OG1 3.02Å |
| 135 | R | 98.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.2 | -39.9 | 175.2 | 66.5 | -174.6 | 68.3 | -153.3 | -10.1 | 112 | W121 I122 P131 T132 L133 F137 T138 F139 | W121-R135 PolarHBondContact O-NH1 3.48Å; I122-R135 WeakPolarHBondContact O-CD 3.21Å; I122-R135 PolarHBondContact O-NE 3.13Å; I122-R135 PolarHBondContact O-NH1 2.92Å; P131-R135 WeakPolarHBondContact O-CG 3.36Å; P131-R135 PolarHBondContact O-N 3.11Å; P131-R135 PolarHBondContact O-NE 3.05Å; T132-R135 WeakPolarHBondContact O-CG 3.41Å; L133-R135 PolarHBondContact O-N 2.95Å; R135-F137 VanDerWaalsContact C-N 3.3Å; R135-F137 PolarHBondContact O-N 3.23Å; R135-T138 WeakPolarHBondContact O-CB 3.32Å; R135-T138 PolarHBondContact O-N 3.31Å; R135-T138 VanDerWaalsContact O-N 3.15Å; R135-F139 HydrophobicContact CB-CD2 4.34Å; R135-F139 HydrophobicContact CB-CE2 4.19Å; R135-F139 WeakPolarHBondContact O-CD2 3.42Å; R135-F139 PolarHBondContact O-N 2.73Å |
| 136 | F | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 4% | 0.044 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 178.8 | -83.4 | 17.5 | 0 | 0 | 0 | 110.9 | F86 M87 V90 L91 T105 I122 T132 L133 F139 H140 | F86-F136 AromaticContact CE1-CE2 3.8Å; F86-F136 HydrophobicContact CE1-CE2 3.8Å; F86-F136 HydrophobicContact CE1-CZ 4.05Å; F86-F136 HydrophobicContact CZ-CE2 4.06Å; M87-F136 HydrophobicContact CB-CB 4.32Å; M87-F136 HydrophobicContact CB-CD2 4.37Å; M87-F136 HydrophobicContact CB-CG 4.37Å; M87-F136 HydrophobicContact CG-CB 4.3Å; M87-F136 HydrophobicContact CG-CD1 4.16Å; M87-F136 HydrophobicContact CG-CD2 3.93Å; M87-F136 HydrophobicContact CG-CE2 4.27Å; M87-F136 HydrophobicContact CG-CG 3.89Å; M87-F136 HydrophobicContact SD-CD1 4.26Å; M87-F136 HydrophobicContact SD-CG 4.45Å; V90-F136 HydrophobicContact CB-CD2 3.89Å; V90-F136 HydrophobicContact CB-CE2 4.5Å; V90-F136 HydrophobicContact CG1-CD2 3.91Å; V90-F136 HydrophobicContact CG1-CE2 4.46Å; V90-F136 HydrophobicContact CG2-CD2 3.86Å; V90-F136 HydrophobicContact CG2-CE2 4Å; L91-F136 HydrophobicContact CD2-CB 4.46Å; T105-F136 HydrophobicContact CG2-CZ 3.9Å; I122-F136 HydrophobicContact CG2-CE1 4.22Å; I122-F136 HydrophobicContact CG2-CZ 4.47Å; T132-F136 HydrophobicContact CG2-CD1 4.32Å; T132-F136 HydrophobicContact CG2-CD2 4.46Å; T132-F136 HydrophobicContact CG2-CE1 4.07Å; T132-F136 HydrophobicContact CG2-CE2 4.24Å; T132-F136 HydrophobicContact CG2-CG 4.5Å; T132-F136 HydrophobicContact CG2-CZ 4.03Å; T132-F136 WeakPolarHBondContact O-CB 3.4Å; T132-F136 WeakPolarHBondContact O-CG 3.34Å; T132-F136 PolarHBondContact O-N 2.97Å; L133-F136 PolarHBondContact O-N 3.14Å; F136-F139 PolarHBondContact O-N 3.09Å; F136-H140 WeakPolarHBondContact O-CB 3.24Å; F136-H140 PolarHBondContact O-N 3.18Å |
| 137 | F | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 18% | 0.184 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -49.9 | 169.5 | 175 | -111.2 | 0 | 0 | 0 | 111.7 | A10 Y13 P15 L91 L133 R135 F139 H140 F141 | A10-F137 HydrophobicContact CB-CE2 4.17Å; A10-F137 HydrophobicContact CB-CZ 4.09Å; Y13-F137 AromaticContact CD1-CD2 3.64Å; Y13-F137 HydrophobicContact CD1-CD2 3.64Å; Y13-F137 AromaticContact CD1-CE2 3.65Å; Y13-F137 HydrophobicContact CD1-CE2 3.65Å; Y13-F137 HydrophobicContact CD1-CG 4.31Å; Y13-F137 HydrophobicContact CD1-CZ 4.34Å; Y13-F137 HydrophobicContact CE1-CB 4.31Å; Y13-F137 AromaticContact CE1-CD2 3.6Å; Y13-F137 HydrophobicContact CE1-CD2 3.6Å; Y13-F137 HydrophobicContact CE1-CE2 4.13Å; Y13-F137 HydrophobicContact CE1-CG 4.01Å; P15-F137 HydrophobicContact CB-CB 3.79Å; P15-F137 HydrophobicContact CB-CD1 3.95Å; P15-F137 HydrophobicContact CB-CG 3.91Å; P15-F137 HydrophobicContact CG-CD1 3.92Å; P15-F137 HydrophobicContact CG-CE1 4.42Å; P15-F137 HydrophobicContact CG-CG 4.38Å; L91-F137 HydrophobicContact CD1-CD2 4.07Å; L91-F137 HydrophobicContact CD2-CB 3.92Å; L133-F137 PolarHBondContact O-N 3.21Å; R135-F137 VanDerWaalsContact C-N 3.3Å; R135-F137 PolarHBondContact O-N 3.23Å; F137-F139 PolarHBondContact O-N 2.84Å; F137-H140 PolarHBondContact O-N 3.26Å; F137-F141 HydrophobicContact CZ-CD2 4.48Å; F137-F141 WeakPolarHBondContact O-CB 3.37Å; F137-F141 PolarHBondContact O-N 3.33Å |
| 138 | T | 98.7 | Very high | 98.4 | Very high | 81 Ų | 81 | 48.8 Ų | 48.8 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 178 | -56.5 | 0 | 0 | 0 | 0 | 112 | T134 R135 F141 I142 | T134-T138 PolarHBondContact O-N 3.04Å; T134-T138 VanDerWaalsContact O-N 3.13Å; T134-T138 PolarHBondContact O-OG1 3.02Å; R135-T138 WeakPolarHBondContact O-CB 3.32Å; R135-T138 PolarHBondContact O-N 3.31Å; R135-T138 VanDerWaalsContact O-N 3.15Å; T138-F141 PolarHBondContact O-N 3.47Å; T138-I142 WeakPolarHBondContact O-CG2 3.26Å; T138-I142 PolarHBondContact O-N 3.33Å; T138-I142 VanDerWaalsContact O-N 3.1Å |
| 139 | F | 98.7 | Very high | 98.5 | Very high | 106 Ų | 106 | 51.7 Ų | 51.7 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 178.6 | -73.2 | -55.9 | 0 | 0 | 0 | 112.6 | M87 R135 F136 F137 F141 I142 L143 | M87-F139 HydrophobicContact CE-CB 4.16Å; M87-F139 HydrophobicContact SD-CB 3.43Å; M87-F139 WeakPolarHBondContact SD-CB 3.47Å; M87-F139 HydrophobicContact SD-CD2 4.4Å; M87-F139 HydrophobicContact SD-CG 4.25Å; R135-F139 HydrophobicContact CB-CD2 4.34Å; R135-F139 HydrophobicContact CB-CE2 4.19Å; R135-F139 WeakPolarHBondContact O-CD2 3.42Å; R135-F139 PolarHBondContact O-N 2.73Å; F136-F139 PolarHBondContact O-N 3.09Å; F137-F139 PolarHBondContact O-N 2.84Å; F139-F141 PolarHBondContact O-N 3.5Å; F139-I142 PolarHBondContact O-N 2.97Å; F139-L143 HydrophobicContact CB-CD1 4.48Å; F139-L143 WeakPolarHBondContact O-CB 3.34Å; F139-L143 VanDerWaalsContact O-CG 3.31Å; F139-L143 WeakPolarHBondContact O-CG 3.47Å; F139-L143 PolarHBondContact O-N 3.32Å |
| 140 | H | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -31.8 | 175.1 | -178.6 | 71.7 | 0 | 0 | 0 | 112 | H41 T84 M87 G88 L91 F136 F137 P144 | H41-H140 AromaticContact NE2-NE2 3.87Å; T84-H140 PolarHBondContact O-CE1 3.32Å; T84-H140 PolarHBondContact O-ND1 3.18Å; M87-H140 HydrophobicContact CB-CB 4.1Å; G88-H140 WeakPolarHBondContact CA-CE1 3.5Å; G88-H140 VanDerWaalsContact CA-ND1 3.25Å; G88-H140 WeakPolarHBondContact CA-ND1 3.48Å; G88-H140 PolarHBondContact N-ND1 3.48Å; L91-H140 HydrophobicContact CD1-CB 4.27Å; F136-H140 WeakPolarHBondContact O-CB 3.24Å; F136-H140 PolarHBondContact O-N 3.18Å; F137-H140 PolarHBondContact O-N 3.26Å; H140-P144 WeakPolarHBondContact O-CD 3.48Å; H140-P144 VanDerWaalsContact O-CG 3.24Å; H140-P144 WeakPolarHBondContact O-CG 3.45Å |
| 141 | F | 98.8 | Very high | 98.6 | Very high | 84 Ų | 84 | 50 Ų | 50 | 37% | 0.368 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.3 | -46.1 | 176.1 | -170.8 | -83.7 | 0 | 0 | 0 | 112.5 | L7 A10 F137 T138 F139 P144 F145 | L7-F141 HydrophobicContact CD2-CE2 3.67Å; L7-F141 HydrophobicContact CD2-CZ 3.58Å; A10-F141 HydrophobicContact CB-CD2 4.37Å; A10-F141 HydrophobicContact CB-CE2 4.21Å; F137-F141 HydrophobicContact CZ-CD2 4.48Å; F137-F141 WeakPolarHBondContact O-CB 3.37Å; F137-F141 PolarHBondContact O-N 3.33Å; T138-F141 PolarHBondContact O-N 3.47Å; F139-F141 PolarHBondContact O-N 3.5Å; F141-P144 WeakPolarHBondContact O-CD 3.4Å; F141-F145 HydrophobicContact CD1-CE2 4.16Å; F141-F145 AromaticContact CE1-CE2 3.88Å; F141-F145 HydrophobicContact CE1-CE2 3.88Å; F141-F145 HydrophobicContact CZ-CE2 4.42Å; F141-F145 VanDerWaalsContact O-CD2 3.24Å; F141-F145 WeakPolarHBondContact O-CD2 3.35Å; F141-F145 VanDerWaalsContact O-CE2 3.26Å; F141-F145 WeakPolarHBondContact O-CE2 3.38Å |
| 142 | I | 98.8 | Very high | 98.7 | Very high | 79 Ų | 79 | 50.1 Ų | 50.1 | 41% | 0.405 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -79.3 | -35.6 | -174.1 | -168.5 | 59.6 | 0 | 0 | 0 | 113.5 | T138 F139 F145 I146 | T138-I142 WeakPolarHBondContact O-CG2 3.26Å; T138-I142 PolarHBondContact O-N 3.33Å; T138-I142 VanDerWaalsContact O-N 3.1Å; F139-I142 PolarHBondContact O-N 2.97Å; I142-F145 PolarHBondContact O-N 3.27Å; I142-F145 VanDerWaalsContact O-N 3.1Å; I142-I146 HydrophobicContact CG1-CD1 4.26Å; I142-I146 PolarHBondContact O-N 3.2Å |
| 143 | L | 98.7 | Very high | 98.7 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -39 | -174.7 | -79.9 | 167.7 | 0 | 0 | 0 | 114.9 | T84 M87 F139 F145 I146 I147 | T84-L143 VanDerWaalsContact OG1-CB 3.26Å; T84-L143 WeakPolarHBondContact OG1-CB 3.46Å; M87-L143 HydrophobicContact CE-CD1 3.24Å; F139-L143 HydrophobicContact CB-CD1 4.48Å; F139-L143 WeakPolarHBondContact O-CB 3.34Å; F139-L143 VanDerWaalsContact O-CG 3.31Å; F139-L143 WeakPolarHBondContact O-CG 3.47Å; F139-L143 PolarHBondContact O-N 3.32Å; L143-F145 PolarHBondContact O-N 3.5Å; L143-I146 HydrophobicContact CD2-CD1 4.21Å; L143-I146 CarbonylContact O-C 3.57Å; L143-I146 WeakPolarHBondContact O-CA 3.39Å; L143-I146 WeakPolarHBondContact O-CB 3.36Å; L143-I146 PolarHBondContact O-N 3.3Å; L143-I147 WeakPolarHBondContact O-CG1 3.48Å; L143-I147 PolarHBondContact O-N 2.91Å |
| 144 | P | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.1 | -34.1 | 173.5 | -28.9 | 34.3 | 0 | 0 | 0 | 114.1 | I3 T84 H140 F141 A148 | I3-P144 HydrophobicContact CD1-CB 4.36Å; I3-P144 HydrophobicContact CG1-CB 3.82Å; T84-P144 HydrophobicContact CG2-CG 3.84Å; H140-P144 WeakPolarHBondContact O-CD 3.48Å; H140-P144 VanDerWaalsContact O-CG 3.24Å; H140-P144 WeakPolarHBondContact O-CG 3.45Å; F141-P144 WeakPolarHBondContact O-CD 3.4Å; P144-A148 PolarHBondContact O-N 3.24Å |
| 145 | F | 98.7 | Very high | 98.7 | Very high | 84 Ų | 84 | 55.9 Ų | 55.9 | 37% | 0.368 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75.8 | -35.7 | 176.8 | -59.5 | -78.6 | 0 | 0 | 0 | 111.9 | I3 L7 F141 I142 L143 I147 A148 A149 | I3-F145 HydrophobicContact CG2-CE1 3.83Å; I3-F145 HydrophobicContact CG2-CZ 3.95Å; L7-F145 HydrophobicContact CD2-CZ 4.48Å; F141-F145 HydrophobicContact CD1-CE2 4.16Å; F141-F145 AromaticContact CE1-CE2 3.88Å; F141-F145 HydrophobicContact CE1-CE2 3.88Å; F141-F145 HydrophobicContact CZ-CE2 4.42Å; F141-F145 VanDerWaalsContact O-CD2 3.24Å; F141-F145 WeakPolarHBondContact O-CD2 3.35Å; F141-F145 VanDerWaalsContact O-CE2 3.26Å; F141-F145 WeakPolarHBondContact O-CE2 3.38Å; I142-F145 PolarHBondContact O-N 3.27Å; I142-F145 VanDerWaalsContact O-N 3.1Å; L143-F145 PolarHBondContact O-N 3.5Å; F145-I147 VanDerWaalsContact C-N 3.35Å; F145-A148 WeakPolarHBondContact O-CB 3.35Å; F145-A148 PolarHBondContact O-N 2.82Å; F145-A149 PolarHBondContact O-N 2.89Å; F145-A149 VanDerWaalsContact O-N 3.1Å |
| 146 | I | 98.8 | Very high | 98.7 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 171.3 | -62.9 | 171.4 | 0 | 0 | 0 | 110.1 | I142 L143 A148 A149 L150 | I142-I146 HydrophobicContact CG1-CD1 4.26Å; I142-I146 PolarHBondContact O-N 3.2Å; L143-I146 HydrophobicContact CD2-CD1 4.21Å; L143-I146 CarbonylContact O-C 3.57Å; L143-I146 WeakPolarHBondContact O-CA 3.39Å; L143-I146 WeakPolarHBondContact O-CB 3.36Å; L143-I146 PolarHBondContact O-N 3.3Å; I146-A148 VanDerWaalsContact C-N 3.3Å; I146-A148 PolarHBondContact O-N 3.13Å; I146-A149 PolarHBondContact O-N 3.44Å; I146-L150 HydrophobicContact CG2-CD1 4.07Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 WeakPolarHBondContact O-CG 3.08Å; I146-L150 PolarHBondContact O-N 2.83Å |
| 147 | I | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 174.3 | -70.4 | 167.3 | 0 | 0 | 0 | 110.7 | L77 A80 T84 L143 F145 A149 L150 A151 | L77-I147 HydrophobicContact CD2-CG2 3.88Å; L77-I147 WeakPolarHBondContact CD2-O 3.4Å; A80-I147 HydrophobicContact CB-CD1 4.17Å; A80-I147 HydrophobicContact CB-CG1 3.75Å; T84-I147 WeakPolarHBondContact OG1-CD1 3.41Å; L143-I147 WeakPolarHBondContact O-CG1 3.48Å; L143-I147 PolarHBondContact O-N 2.91Å; F145-I147 VanDerWaalsContact C-N 3.35Å; I147-A149 PolarHBondContact O-N 3.38Å; I147-L150 PolarHBondContact O-N 3.38Å; I147-A151 WeakPolarHBondContact O-CB 3.44Å; I147-A151 PolarHBondContact O-N 3.31Å |
| 148 | A | 98.8 | Very high | 98.7 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | P144 F145 I146 A151 A152 | P144-A148 PolarHBondContact O-N 3.24Å; F145-A148 WeakPolarHBondContact O-CB 3.35Å; F145-A148 PolarHBondContact O-N 2.82Å; I146-A148 VanDerWaalsContact C-N 3.3Å; I146-A148 PolarHBondContact O-N 3.13Å; A148-A151 PolarHBondContact O-N 3.24Å; A148-A152 PolarHBondContact O-N 3.06Å; A148-A152 VanDerWaalsContact O-N 3.08Å |
| 149 | A | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 62.7 Ų | 62.7 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F145 I146 I147 A151 A152 L153 | F145-A149 PolarHBondContact O-N 2.89Å; F145-A149 VanDerWaalsContact O-N 3.1Å; I146-A149 PolarHBondContact O-N 3.44Å; I147-A149 PolarHBondContact O-N 3.38Å; A149-A151 VanDerWaalsContact C-N 3.3Å; A149-A151 PolarHBondContact O-N 2.86Å; A149-A152 PolarHBondContact O-N 3.47Å; A149-L153 PolarHBondContact O-N 3.18Å |
| 150 | L | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 174.8 | -72.3 | 170.4 | 0 | 0 | 0 | 112.2 | I76 L77 I146 I147 L153 H154 | I76-L150 HydrophobicContact CG2-CD1 3.88Å; I76-L150 HydrophobicContact CG2-CD2 4.31Å; L77-L150 HydrophobicContact CD2-CB 3.54Å; L77-L150 HydrophobicContact CG-CB 4.04Å; I146-L150 HydrophobicContact CG2-CD1 4.07Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 WeakPolarHBondContact O-CG 3.08Å; I146-L150 PolarHBondContact O-N 2.83Å; I147-L150 PolarHBondContact O-N 3.38Å; L150-L153 PolarHBondContact O-N 3.1Å; L150-H154 WeakPolarHBondContact O-CB 3.26Å; L150-H154 PolarHBondContact O-N 3.27Å |
| 151 | A | 98.8 | Very high | 98.6 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L77 I147 A148 A149 L153 H154 L155 | L77-A151 HydrophobicContact CD2-CB 4.34Å; I147-A151 WeakPolarHBondContact O-CB 3.44Å; I147-A151 PolarHBondContact O-N 3.31Å; A148-A151 PolarHBondContact O-N 3.24Å; A149-A151 VanDerWaalsContact C-N 3.3Å; A149-A151 PolarHBondContact O-N 2.86Å; A151-L153 VanDerWaalsContact C-N 3.34Å; A151-H154 WeakPolarHBondContact O-CB 3.44Å; A151-H154 PolarHBondContact O-N 2.83Å; A151-L155 WeakPolarHBondContact O-CG 3.28Å; A151-L155 PolarHBondContact O-N 3.04Å |
| 152 | A | 98.8 | Very high | 98.5 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 51% | 0.512 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A148 A149 L155 L156 | A148-A152 PolarHBondContact O-N 3.06Å; A148-A152 VanDerWaalsContact O-N 3.08Å; A149-A152 PolarHBondContact O-N 3.47Å; A152-L155 PolarHBondContact O-N 3.41Å; A152-L156 PolarHBondContact O-N 2.82Å |
| 153 | L | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.3 | -173 | 65.3 | 0 | 0 | 0 | 112.3 | I73 A149 L150 A151 L155 L156 F157 | I73-L153 HydrophobicContact CD1-CD2 3.92Å; I73-L153 HydrophobicContact CD1-CG 3.8Å; I73-L153 HydrophobicContact CG1-CD2 4.5Å; A149-L153 PolarHBondContact O-N 3.18Å; L150-L153 PolarHBondContact O-N 3.1Å; A151-L153 VanDerWaalsContact C-N 3.34Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.28Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.31Å; L153-F157 HydrophobicContact CD1-CD2 4.19Å; L153-F157 HydrophobicContact CD1-CE2 3.79Å; L153-F157 HydrophobicContact CD2-CE2 4.45Å; L153-F157 HydrophobicContact CG-CD2 4.14Å; L153-F157 HydrophobicContact CG-CE2 3.95Å; L153-F157 WeakPolarHBondContact O-CD2 3.45Å; L153-F157 PolarHBondContact O-N 2.81Å; L153-F157 VanDerWaalsContact O-N 3.11Å |
| 154 | H | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 63.4 Ų | 63.4 | 12% | 0.116 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 174.7 | -176 | 80.7 | 0 | 0 | 0 | 111.7 | T70 I73 L77 L150 A151 L158 | T70-H154 WeakPolarHBondContact CG2-CE1 3.5Å; T70-H154 PolarHBondContact O-CE1 3.36Å; T70-H154 PolarHBondContact O-ND1 3.08Å; I73-H154 HydrophobicContact CB-CB 4.46Å; I73-H154 HydrophobicContact CG2-CB 3.69Å; L77-H154 HydrophobicContact CD1-CB 3.79Å; L150-H154 WeakPolarHBondContact O-CB 3.26Å; L150-H154 PolarHBondContact O-N 3.27Å; A151-H154 WeakPolarHBondContact O-CB 3.44Å; A151-H154 PolarHBondContact O-N 2.83Å; H154-L158 PolarHBondContact O-N 3.06Å; H154-L158 VanDerWaalsContact O-N 3.09Å |
| 155 | L | 98.8 | Very high | 98.4 | Very high | 86 Ų | 86 | 63.8 Ų | 63.8 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 176.6 | -70.7 | 174.2 | 0 | 0 | 0 | 112.8 | A151 A152 L153 L158 H159 | A151-L155 WeakPolarHBondContact O-CG 3.28Å; A151-L155 PolarHBondContact O-N 3.04Å; A152-L155 PolarHBondContact O-N 3.41Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.28Å; L155-L158 HydrophobicContact CD2-CD2 4.12Å; L155-L158 WeakPolarHBondContact O-CB 3.48Å; L155-L158 PolarHBondContact O-N 3.28Å; L155-H159 PolarHBondContact O-CD2 3.07Å; L155-H159 VanDerWaalsContact O-CG 3.32Å; L155-H159 PolarHBondContact O-N 2.81Å |
| 156 | L | 98.7 | Very high | 98.4 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.1 | -50.8 | 175.1 | -177.2 | 146.2 | 0 | 0 | 0 | 110.8 | A152 L153 L158 H159 E160 | A152-L156 PolarHBondContact O-N 2.82Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.31Å; L156-L158 VanDerWaalsContact C-N 3.29Å; L156-L158 PolarHBondContact O-N 3.44Å; L156-H159 PolarHBondContact O-N 2.88Å; L156-E160 PolarHBondContact O-N 3.41Å |
| 157 | F | 98.7 | Very high | 98.4 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 30% | 0.303 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -32.5 | 176 | -78 | -70.7 | 0 | 0 | 0 | 113.1 | E69 T70 I73 L153 H159 E160 | E69-F157 HydrophobicContact CB-CB 4.09Å; E69-F157 HydrophobicContact CB-CD1 3.46Å; E69-F157 VanDerWaalsContact CB-CD1 3.46Å; E69-F157 HydrophobicContact CB-CD2 4.21Å; E69-F157 HydrophobicContact CB-CE1 3.84Å; E69-F157 HydrophobicContact CB-CG 3.66Å; E69-F157 HydrophobicContact CB-CZ 4.33Å; E69-F157 HydrophobicContact CG-CD1 3.85Å; E69-F157 HydrophobicContact CG-CE1 3.82Å; E69-F157 HydrophobicContact CG-CZ 4.46Å; T70-F157 WeakPolarHBondContact OG1-CB 3.18Å; I73-F157 HydrophobicContact CD1-CD2 3.16Å; I73-F157 HydrophobicContact CD1-CE2 3.44Å; I73-F157 VanDerWaalsContact CD1-CE2 3.44Å; I73-F157 HydrophobicContact CD1-CG 4.22Å; L153-F157 HydrophobicContact CD1-CD2 4.19Å; L153-F157 HydrophobicContact CD1-CE2 3.79Å; L153-F157 HydrophobicContact CD2-CE2 4.45Å; L153-F157 HydrophobicContact CG-CD2 4.14Å; L153-F157 HydrophobicContact CG-CE2 3.95Å; L153-F157 WeakPolarHBondContact O-CD2 3.45Å; L153-F157 PolarHBondContact O-N 2.81Å; L153-F157 VanDerWaalsContact O-N 3.11Å; F157-H159 VanDerWaalsContact C-N 3.29Å; F157-H159 PolarHBondContact O-N 3.23Å; F157-E160 PolarHBondContact O-N 2.73Å |
| 158 | L | 98.6 | Very high | 98.3 | Very high | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65 | -34.3 | 172.8 | 179.9 | 64.3 | 0 | 0 | 0 | 111.9 | T70 H154 L155 L156 E160 G162 | T70-L158 HydrophobicContact CG2-CB 4.2Å; T70-L158 HydrophobicContact CG2-CD1 4.49Å; T70-L158 PolarHBondContact OG1-N 3.31Å; H154-L158 PolarHBondContact O-N 3.06Å; H154-L158 VanDerWaalsContact O-N 3.09Å; L155-L158 HydrophobicContact CD2-CD2 4.12Å; L155-L158 WeakPolarHBondContact O-CB 3.48Å; L155-L158 PolarHBondContact O-N 3.28Å; L156-L158 VanDerWaalsContact C-N 3.29Å; L156-L158 PolarHBondContact O-N 3.44Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-G162 VanDerWaalsContact O-CA 3.29Å; L158-G162 WeakPolarHBondContact O-CA 3.22Å; L158-G162 PolarHBondContact O-N 3.43Å |
| 159 | H | 98.4 | Very high | 98.2 | Very high | 150 Ų | 150 | 65.2 Ų | 65.2 | 69% | 0.694 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -73.4 | -23.9 | 179.8 | -75.5 | -177.7 | 0 | 0 | 0 | 113.3 | L155 L156 F157 T161 | L155-H159 PolarHBondContact O-CD2 3.07Å; L155-H159 VanDerWaalsContact O-CG 3.32Å; L155-H159 PolarHBondContact O-N 2.81Å; L156-H159 PolarHBondContact O-N 2.88Å; F157-H159 VanDerWaalsContact C-N 3.29Å; F157-H159 PolarHBondContact O-N 3.23Å; H159-T161 VanDerWaalsContact C-N 3.33Å; H159-T161 PolarHBondContact O-N 3.01Å |
| 160 | E | 98.1 | Very high | 98 | Very high | 147 Ų | 147 | 66.8 Ų | 66.8 | 69% | 0.687 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | 174 | -65.6 | -59.6 | 133.8 | 0 | 0 | 112.2 | L156 F157 L158 | L156-E160 PolarHBondContact O-N 3.41Å; F157-E160 PolarHBondContact O-N 2.73Å; L158-E160 VanDerWaalsContact C-N 3.33Å |
| 161 | T | 96.4 | Very high | 97.9 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -101.2 | -27.8 | -179 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | Y67 H159 | Y67-T161 HydrophobicContact CD1-CG2 4.14Å; Y67-T161 HydrophobicContact CE1-CG2 4.38Å; H159-T161 VanDerWaalsContact C-N 3.33Å; H159-T161 PolarHBondContact O-N 3.01Å |
| 162 | G | 96.9 | Very high | 97.8 | Very high | 20 Ų | 20 | 71.8 Ų | 71.8 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | trans | 80.1 | 171.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L158 | L158-G162 VanDerWaalsContact O-CA 3.29Å; L158-G162 WeakPolarHBondContact O-CA 3.22Å; L158-G162 PolarHBondContact O-N 3.43Å | ||
| 163 | S | 97.8 | Very high | 97.6 | Very high | 85 Ų | 85 | 74.5 Ų | 74.5 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | trans | -71 | 143.5 | -179.4 | -67.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 164 | N | 98 | Very high | 97.6 | Very high | 26 Ų | 26 | 77.3 Ų | 77.3 | 14% | 0.139 | 43% | 0.429 | C | S | . | . | trans | -68.2 | 168.4 | 162.4 | -171 | 18.8 | 0 | 0 | 0 | 110.8 | Y62 S64 Y67 Q271 | Y62-N164 PolarHBondContact O-ND2 3.43Å; S64-N164 PolarHBondContact OG-ND2 2.83Å; S64-N164 VanDerWaalsContact OG-ND2 3.17Å; Y67-N164 HydrophobicContact CE2-CB 3.74Å; N164-Q271 PolarHBondContact ND2-NE2 3.22Å | ||
| 165 | N | 98.4 | Very high | 97.5 | Very high | 33 Ų | 33 | 82 Ų | 82 | 18% | 0.176 | 45% | 0.449 | C | S | . | . | trans | -137.4 | 165.2 | 177 | 67.9 | 80.9 | 0 | 0 | 0 | 111.6 | L167 G168 I169 | N165-L167 VanDerWaalsContact C-N 3.25Å; N165-L167 PolarHBondContact O-N 3.21Å; N165-L167 VanDerWaalsContact O-N 3.15Å; N165-L167 WeakPolarHBondContact OD1-CB 3.4Å; N165-L167 PolarHBondContact OD1-N 2.91Å; N165-L167 VanDerWaalsContact OD1-N 3.11Å; N165-G168 PolarHBondContact O-N 3.45Å; N165-G168 PolarHBondContact OD1-N 2.98Å; N165-I169 PolarHBondContact ND2-O 3.47Å | ||
| 166 | P | 98.6 | Very high | 97.5 | Very high | 69 Ų | 69 | 81.8 Ų | 81.8 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.6 | -174 | -29.4 | 37.6 | 0 | 0 | 0 | 115.6 | Y62 G168 S272 M274 | Y62-P166 HydrophobicContact CD1-CB 4.23Å; Y62-P166 HydrophobicContact CE1-CB 3.69Å; Y62-P166 HydrophobicContact CE1-CG 4.37Å; P166-G168 VanDerWaalsContact C-N 3.27Å; P166-G168 PolarHBondContact O-N 3.16Å; P166-S272 VanDerWaalsContact O-CB 3.32Å; P166-S272 WeakPolarHBondContact O-CB 3.29Å; P166-S272 PolarHBondContact O-OG 3.43Å; P166-M274 HydrophobicContact CB-SD 4.2Å; P166-M274 WeakPolarHBondContact O-CB 3.21Å |
| 167 | L | 98.2 | Very high | 97.5 | Very high | 75 Ų | 75 | 81.9 Ų | 81.9 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -20.4 | -178.8 | -59.6 | 171.4 | 0 | 0 | 0 | 112.2 | N165 I169 M274 F275 | N165-L167 VanDerWaalsContact C-N 3.25Å; N165-L167 PolarHBondContact O-N 3.21Å; N165-L167 VanDerWaalsContact O-N 3.15Å; N165-L167 WeakPolarHBondContact OD1-CB 3.4Å; N165-L167 PolarHBondContact OD1-N 2.91Å; N165-L167 VanDerWaalsContact OD1-N 3.11Å; L167-I169 HydrophobicContact CB-CD1 4.26Å; L167-I169 HydrophobicContact CB-CG1 3.85Å; L167-I169 HydrophobicContact CD1-CD1 4.18Å; L167-I169 HydrophobicContact CD1-CG1 4.44Å; L167-I169 PolarHBondContact O-N 3.44Å; L167-M274 HydrophobicContact CD2-CE 3.81Å; L167-M274 HydrophobicContact CD2-SD 3.68Å; L167-M274 HydrophobicContact CG-SD 4.47Å; L167-F275 HydrophobicContact CB-CE2 4.48Å; L167-F275 HydrophobicContact CD2-CE2 4.02Å; L167-F275 HydrophobicContact CD2-CZ 3.61Å |
| 168 | G | 97.1 | Very high | 97.5 | Very high | 12 Ų | 12 | 84.3 Ų | 84.3 | 12% | 0.124 | 46% | 0.463 | C | S | . | . | trans | 64.9 | 25.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N165 P166 | N165-G168 PolarHBondContact O-N 3.45Å; N165-G168 PolarHBondContact OD1-N 2.98Å; P166-G168 VanDerWaalsContact C-N 3.27Å; P166-G168 PolarHBondContact O-N 3.16Å | ||
| 169 | I | 96.6 | Very high | 97.4 | Very high | 107 Ų | 107 | 88.9 Ų | 88.9 | 55% | 0.549 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -116 | 165.2 | 173.3 | 64.1 | 177.1 | 0 | 0 | 0 | 109.5 | N165 L167 S171 | N165-I169 PolarHBondContact ND2-O 3.47Å; L167-I169 HydrophobicContact CB-CD1 4.26Å; L167-I169 HydrophobicContact CB-CG1 3.85Å; L167-I169 HydrophobicContact CD1-CD1 4.18Å; L167-I169 HydrophobicContact CD1-CG1 4.44Å; L167-I169 PolarHBondContact O-N 3.44Å; I169-S171 PolarHBondContact O-N 3.48Å |
| 170 | T | 95.9 | Very high | 97.4 | Very high | 98 Ų | 98 | 84.9 Ų | 84.9 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | trans | -57.9 | 131.3 | 176 | 175.2 | 0 | 0 | 0 | 0 | 112 | H172 | T170-H172 PolarHBondContact OG1-CD2 2.89Å; T170-H172 PolarHBondContact OG1-N 3.4Å | ||
| 171 | S | 96.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 84.3 Ų | 84.3 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | trans | -100.2 | 9.3 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | I169 S173 D174 K175 | I169-S171 PolarHBondContact O-N 3.48Å; S171-S173 PolarHBondContact O-N 3.46Å; S171-S173 VanDerWaalsContact O-N 3.13Å; S171-D174 CarbonylContact O-C 3.32Å; S171-D174 PolarHBondContact O-N 3.39Å; S171-K175 WeakPolarHBondContact O-CG 3.46Å; S171-K175 PolarHBondContact O-N 3.32Å | ||
| 172 | H | 95.1 | Very high | 97.6 | Very high | 135 Ų | 135 | 85.6 Ų | 85.6 | 63% | 0.625 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -57 | -31.2 | -175.4 | -74.8 | -62.8 | 0 | 0 | 0 | 114 | T170 D174 K175 | T170-H172 PolarHBondContact OG1-CD2 2.89Å; T170-H172 PolarHBondContact OG1-N 3.4Å; H172-D174 VanDerWaalsContact C-N 3.3Å; H172-D174 PolarHBondContact O-N 2.86Å; H172-K175 WeakPolarHBondContact ND1-CE 3.21Å; H172-K175 PolarHBondContact ND1-NZ 3.49Å |
| 173 | S | 96.3 | Very high | 97.6 | Very high | 120 Ų | 120 | 87.1 Ų | 87.1 | 84% | 0.839 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -75.3 | -14.6 | 179.7 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | S171 | S171-S173 PolarHBondContact O-N 3.46Å; S171-S173 VanDerWaalsContact O-N 3.13Å |
| 174 | D | 97.3 | Very high | 97.7 | Very high | 132 Ų | 132 | 88.6 Ų | 88.6 | 71% | 0.706 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -140.6 | 47.8 | -173 | -168.2 | 29.4 | 0 | 0 | 0 | 111.3 | S171 H172 | S171-D174 CarbonylContact O-C 3.32Å; S171-D174 PolarHBondContact O-N 3.39Å; H172-D174 VanDerWaalsContact C-N 3.3Å; H172-D174 PolarHBondContact O-N 2.86Å |
| 175 | K | 97.8 | Very high | 97.7 | Very high | 124 Ų | 124 | 93 Ų | 93 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | trans | -81.9 | 137.8 | 173.3 | -70.1 | -168.5 | 175.7 | -173 | 0 | 110.2 | S171 H172 | S171-K175 WeakPolarHBondContact O-CG 3.46Å; S171-K175 PolarHBondContact O-N 3.32Å; H172-K175 WeakPolarHBondContact ND1-CE 3.21Å; H172-K175 PolarHBondContact ND1-NZ 3.49Å | ||
| 176 | I | 98.3 | Very high | 97.7 | Very high | 82 Ų | 82 | 95.6 Ų | 95.6 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | trans | -112.9 | 157.3 | 168.8 | 65.1 | -178.2 | 0 | 0 | 0 | 109.9 | Y181 Y182 | I176-Y181 HydrophobicContact CB-CD2 4.08Å; I176-Y181 HydrophobicContact CB-CE2 4.23Å; I176-Y181 HydrophobicContact CD1-CD1 4.22Å; I176-Y181 HydrophobicContact CD1-CD2 3.91Å; I176-Y181 HydrophobicContact CD1-CG 3.69Å; I176-Y181 HydrophobicContact CG1-CD2 4.19Å; I176-Y181 HydrophobicContact CG1-CG 4.45Å; I176-Y182 HydrophobicContact CD1-CD2 4.47Å; I176-Y182 HydrophobicContact CD1-CE2 3.78Å; I176-Y182 HydrophobicContact CG1-CD2 4.47Å; I176-Y182 HydrophobicContact CG1-CE2 3.73Å | ||
| 177 | T | 98 | Very high | 97.7 | Very high | 93 Ų | 93 | 94.8 Ų | 94.8 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | trans | -63.7 | 149.6 | 172.9 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | H179 Y181 | T177-H179 WeakPolarHBondContact CB-O 2.96Å; T177-H179 PolarHBondContact OG1-O 3.16Å; T177-Y181 WeakPolarHBondContact O-CD2 3.44Å | ||
| 178 | F | 98.4 | Very high | 97.8 | Very high | 120 Ų | 120 | 96 Ų | 96 | 53% | 0.526 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -64.2 | -46.4 | 178.3 | -172.7 | -91.9 | 0 | 0 | 0 | 111.7 | Y181 Y182 T183 D186 | F178-Y181 PolarHBondContact O-N 3.34Å; F178-Y182 HydrophobicContact CD2-CD2 4.14Å; F178-Y182 HydrophobicContact CD2-CG 4.05Å; F178-Y182 HydrophobicContact CE2-CG 4.11Å; F178-Y182 WeakPolarHBondContact O-CA 3.33Å; F178-Y182 PolarHBondContact O-N 3.49Å; F178-T183 HydrophobicContact CD1-CG2 3.67Å; F178-T183 HydrophobicContact CE1-CG2 3.56Å; F178-T183 PolarHBondContact O-N 3.49Å; F178-D186 WeakPolarHBondContact CZ-OD2 3.39Å |
| 179 | H | 98.3 | Very high | 97.8 | Very high | 132 Ų | 132 | 97.2 Ų | 97.2 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 135.6 | 171 | -176.8 | 72.7 | 0 | 0 | 0 | 110.2 | T177 T183 | T177-H179 WeakPolarHBondContact CB-O 2.96Å; T177-H179 PolarHBondContact OG1-O 3.16Å; H179-T183 HydrophobicContact CB-CG2 4Å; H179-T183 PolarHBondContact ND1-OG1 2.83Å |
| 180 | P | 98.1 | Very high | 97.9 | Very high | 66 Ų | 66 | 97 Ų | 97 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.5 | -14.1 | 2.1 | 34.5 | -35.4 | 0 | 0 | 0 | 114.9 | Y182 T183 I184 | P180-Y182 PolarHBondContact O-N 2.92Å; P180-T183 VanDerWaalsContact C-OG1 3.25Å; P180-T183 WeakPolarHBondContact CA-OG1 3.5Å; P180-T183 PolarHBondContact O-N 3.41Å; P180-T183 PolarHBondContact O-OG1 3.17Å; P180-I184 WeakPolarHBondContact O-CG2 3.4Å; P180-I184 PolarHBondContact O-N 2.88Å |
| 181 | Y | 98.6 | Very high | 98 | Very high | 134 Ų | 134 | 97.6 Ų | 97.6 | 53% | 0.525 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -53.9 | -163.6 | -59.9 | -79.3 | 0 | 0 | 0 | 114.6 | I176 T177 F178 I184 K185 | I176-Y181 HydrophobicContact CB-CD2 4.08Å; I176-Y181 HydrophobicContact CB-CE2 4.23Å; I176-Y181 HydrophobicContact CD1-CD1 4.22Å; I176-Y181 HydrophobicContact CD1-CD2 3.91Å; I176-Y181 HydrophobicContact CD1-CG 3.69Å; I176-Y181 HydrophobicContact CG1-CD2 4.19Å; I176-Y181 HydrophobicContact CG1-CG 4.45Å; T177-Y181 WeakPolarHBondContact O-CD2 3.44Å; F178-Y181 PolarHBondContact O-N 3.34Å; Y181-I184 WeakPolarHBondContact O-CG2 3.25Å; Y181-K185 PolarHBondContact O-N 2.98Å |
| 182 | Y | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 100.5 Ų | 100.5 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -81.9 | -29.4 | 179.7 | -67 | -80.1 | 0 | 0 | 0 | 111.7 | I176 F178 P180 I184 K185 D186 | I176-Y182 HydrophobicContact CD1-CD2 4.47Å; I176-Y182 HydrophobicContact CD1-CE2 3.78Å; I176-Y182 HydrophobicContact CG1-CD2 4.47Å; I176-Y182 HydrophobicContact CG1-CE2 3.73Å; F178-Y182 HydrophobicContact CD2-CD2 4.14Å; F178-Y182 HydrophobicContact CD2-CG 4.05Å; F178-Y182 HydrophobicContact CE2-CG 4.11Å; F178-Y182 WeakPolarHBondContact O-CA 3.33Å; F178-Y182 PolarHBondContact O-N 3.49Å; P180-Y182 PolarHBondContact O-N 2.92Å; Y182-I184 PolarHBondContact O-N 3.1Å; Y182-K185 VanDerWaalsContact CE1-NZ 3.33Å; Y182-K185 PolarHBondContact O-N 2.87Å; Y182-D186 VanDerWaalsContact O-CB 3.3Å; Y182-D186 WeakPolarHBondContact O-CB 3.46Å; Y182-D186 VanDerWaalsContact O-CG 3.22Å; Y182-D186 PolarHBondContact O-N 3.26Å |
| 183 | T | 98.7 | Very high | 98.3 | Very high | 51 Ų | 51 | 96.7 Ų | 96.7 | 31% | 0.313 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 174 | 50 | 0 | 0 | 0 | 0 | 112.9 | F178 H179 P180 A187 | F178-T183 HydrophobicContact CD1-CG2 3.67Å; F178-T183 HydrophobicContact CE1-CG2 3.56Å; F178-T183 PolarHBondContact O-N 3.49Å; H179-T183 HydrophobicContact CB-CG2 4Å; H179-T183 PolarHBondContact ND1-OG1 2.83Å; P180-T183 VanDerWaalsContact C-OG1 3.25Å; P180-T183 WeakPolarHBondContact CA-OG1 3.5Å; P180-T183 PolarHBondContact O-N 3.41Å; P180-T183 PolarHBondContact O-OG1 3.17Å; T183-A187 WeakPolarHBondContact O-CB 3.23Å; T183-A187 PolarHBondContact O-N 3.07Å |
| 184 | I | 98.8 | Very high | 98.4 | Very high | 117 Ų | 117 | 94.7 Ų | 94.7 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.9 | -35.5 | 178.8 | -169.3 | 59.8 | 0 | 0 | 0 | 111.7 | P180 Y181 Y182 A187 L188 | P180-I184 WeakPolarHBondContact O-CG2 3.4Å; P180-I184 PolarHBondContact O-N 2.88Å; Y181-I184 WeakPolarHBondContact O-CG2 3.25Å; Y182-I184 PolarHBondContact O-N 3.1Å; I184-A187 PolarHBondContact O-N 3.42Å; I184-L188 PolarHBondContact O-N 3.2Å |
| 185 | K | 98.7 | Very high | 98.5 | Very high | 118 Ų | 118 | 93.4 Ų | 93.4 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 176.3 | -165.5 | -176.4 | 73.8 | 180 | 0 | 111.6 | Y181 Y182 L188 G189 | Y181-K185 PolarHBondContact O-N 2.98Å; Y182-K185 VanDerWaalsContact CE1-NZ 3.33Å; Y182-K185 PolarHBondContact O-N 2.87Å; K185-L188 PolarHBondContact O-N 3.02Å; K185-G189 PolarHBondContact O-N 3.23Å |
| 186 | D | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 89.9 Ų | 89.9 | 47% | 0.465 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 177.9 | -71 | 2.9 | 0 | 0 | 0 | 111 | F178 Y182 L188 G189 L190 | F178-D186 WeakPolarHBondContact CZ-OD2 3.39Å; Y182-D186 VanDerWaalsContact O-CB 3.3Å; Y182-D186 WeakPolarHBondContact O-CB 3.46Å; Y182-D186 VanDerWaalsContact O-CG 3.22Å; Y182-D186 PolarHBondContact O-N 3.26Å; D186-L188 PolarHBondContact O-N 2.92Å; D186-G189 PolarHBondContact O-N 3Å; D186-L190 WeakPolarHBondContact O-CB 3.49Å; D186-L190 PolarHBondContact O-N 3.18Å |
| 187 | A | 98.7 | Very high | 98.5 | Very high | 52 Ų | 52 | 86.2 Ų | 86.2 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T183 I184 L190 L191 | T183-A187 WeakPolarHBondContact O-CB 3.23Å; T183-A187 PolarHBondContact O-N 3.07Å; I184-A187 PolarHBondContact O-N 3.42Å; A187-L190 PolarHBondContact O-N 3.03Å; A187-L191 PolarHBondContact O-N 3.23Å |
| 188 | L | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 84.4 Ų | 84.4 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 172.9 | 176.7 | 62.5 | 0 | 0 | 0 | 111.5 | I184 K185 D186 L190 L191 L192 | I184-L188 PolarHBondContact O-N 3.2Å; K185-L188 PolarHBondContact O-N 3.02Å; D186-L188 PolarHBondContact O-N 2.92Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 3.34Å; L188-L191 WeakPolarHBondContact O-CB 3.4Å; L188-L191 PolarHBondContact O-N 2.62Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 3.25Å |
| 189 | G | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 81.8 Ų | 81.8 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | K185 D186 L192 F193 | K185-G189 PolarHBondContact O-N 3.23Å; D186-G189 PolarHBondContact O-N 3Å; G189-L192 PolarHBondContact O-N 3.2Å; G189-F193 WeakPolarHBondContact O-CB 3.3Å; G189-F193 PolarHBondContact O-N 2.97Å |
| 190 | L | 98.5 | Very high | 98.6 | Very high | 102 Ų | 102 | 76.4 Ų | 76.4 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.3 | -179.9 | 62.2 | 0 | 0 | 0 | 111.9 | D186 A187 L188 L192 F193 I194 | D186-L190 WeakPolarHBondContact O-CB 3.49Å; D186-L190 PolarHBondContact O-N 3.18Å; A187-L190 PolarHBondContact O-N 3.03Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 3.34Å; L190-L192 PolarHBondContact O-N 2.88Å; L190-F193 HydrophobicContact CD1-CD1 4.42Å; L190-F193 WeakPolarHBondContact O-CB 3.26Å; L190-F193 PolarHBondContact O-N 3.25Å; L190-I194 HydrophobicContact CD1-CD1 4.01Å; L190-I194 HydrophobicContact CD1-CG1 4.18Å; L190-I194 HydrophobicContact CG-CD1 3.89Å; L190-I194 HydrophobicContact CG-CG1 4.44Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.24Å; L190-I194 PolarHBondContact O-N 3.14Å |
| 191 | L | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 73.3 Ų | 73.3 | 58% | 0.581 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 175.8 | 178.8 | 64.4 | 0 | 0 | 0 | 111.4 | A187 L188 I194 L195 | A187-L191 PolarHBondContact O-N 3.23Å; L188-L191 WeakPolarHBondContact O-CB 3.4Å; L188-L191 PolarHBondContact O-N 2.62Å; L191-I194 PolarHBondContact O-N 3.46Å; L191-L195 WeakPolarHBondContact O-CB 3.27Å; L191-L195 PolarHBondContact O-N 3.23Å |
| 192 | L | 98.6 | Very high | 98.6 | Very high | 102 Ų | 102 | 70.9 Ų | 70.9 | 53% | 0.534 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.8 | -65.3 | 175.1 | 0 | 0 | 0 | 112 | L188 G189 L190 L195 S196 | L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 3.25Å; G189-L192 PolarHBondContact O-N 3.2Å; L190-L192 PolarHBondContact O-N 2.88Å; L192-L195 PolarHBondContact O-N 3.27Å; L192-S196 PolarHBondContact O-N 3.12Å; L192-S196 PolarHBondContact O-OG 2.98Å |
| 193 | F | 98.5 | Very high | 98.6 | Very high | 55 Ų | 55 | 74.4 Ų | 74.4 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 173.4 | 174 | -89.3 | 0 | 0 | 0 | 111.3 | M47 G189 L190 L195 S196 L197 | M47-F193 HydrophobicContact CB-CE2 3.68Å; M47-F193 HydrophobicContact CB-CZ 3.9Å; M47-F193 HydrophobicContact CE-CD2 3.98Å; M47-F193 HydrophobicContact CE-CE2 4.02Å; M47-F193 HydrophobicContact CG-CE2 4.48Å; G189-F193 WeakPolarHBondContact O-CB 3.3Å; G189-F193 PolarHBondContact O-N 2.97Å; L190-F193 HydrophobicContact CD1-CD1 4.42Å; L190-F193 WeakPolarHBondContact O-CB 3.26Å; L190-F193 PolarHBondContact O-N 3.25Å; F193-L195 VanDerWaalsContact C-N 3.35Å; F193-L195 PolarHBondContact O-N 3Å; F193-S196 PolarHBondContact O-N 3.39Å; F193-S196 PolarHBondContact O-OG 2.96Å; F193-L197 HydrophobicContact CE1-CD2 4.09Å; F193-L197 WeakPolarHBondContact O-CB 3.48Å; F193-L197 PolarHBondContact O-N 3.38Å |
| 194 | I | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 74 Ų | 74 | 40% | 0.4 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.8 | -68.3 | 168.7 | 0 | 0 | 0 | 110.2 | L190 L191 S196 L197 M198 | L190-I194 HydrophobicContact CD1-CD1 4.01Å; L190-I194 HydrophobicContact CD1-CG1 4.18Å; L190-I194 HydrophobicContact CG-CD1 3.89Å; L190-I194 HydrophobicContact CG-CG1 4.44Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.24Å; L190-I194 PolarHBondContact O-N 3.14Å; L191-I194 PolarHBondContact O-N 3.46Å; I194-S196 PolarHBondContact O-N 3.38Å; I194-L197 PolarHBondContact O-N 2.99Å; I194-M198 HydrophobicContact CG2-CG 3.86Å; I194-M198 VanDerWaalsContact O-CB 3.28Å; I194-M198 WeakPolarHBondContact O-CB 3.33Å; I194-M198 WeakPolarHBondContact O-CG 2.92Å; I194-M198 PolarHBondContact O-N 3.33Å |
| 195 | L | 98.6 | Very high | 98.6 | Very high | 105 Ų | 105 | 70 Ų | 70 | 55% | 0.55 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58 | -47.7 | 178.3 | 179.9 | 63.1 | 0 | 0 | 0 | 111.6 | L191 L192 F193 T199 | L191-L195 WeakPolarHBondContact O-CB 3.27Å; L191-L195 PolarHBondContact O-N 3.23Å; L192-L195 PolarHBondContact O-N 3.27Å; F193-L195 VanDerWaalsContact C-N 3.35Å; F193-L195 PolarHBondContact O-N 3Å; L195-T199 WeakPolarHBondContact O-CB 3.36Å; L195-T199 PolarHBondContact O-N 3.43Å; L195-T199 PolarHBondContact O-OG1 3.26Å |
| 196 | S | 98.5 | Very high | 98.5 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 178.1 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | M47 L192 F193 I194 M198 T199 L200 | M47-S196 WeakPolarHBondContact CE-OG 3.47Å; L192-S196 PolarHBondContact O-N 3.12Å; L192-S196 PolarHBondContact O-OG 2.98Å; F193-S196 PolarHBondContact O-N 3.39Å; F193-S196 PolarHBondContact O-OG 2.96Å; I194-S196 PolarHBondContact O-N 3.38Å; S196-M198 PolarHBondContact O-N 2.89Å; S196-T199 PolarHBondContact O-N 2.97Å; S196-L200 PolarHBondContact O-N 2.97Å |
| 197 | L | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 176.7 | 173.8 | 64 | 0 | 0 | 0 | 112.1 | L1 L40 N43 M47 F193 I194 L200 T201 | L1-L197 HydrophobicContact CD1-CD2 4.48Å; L1-L197 HydrophobicContact CD2-CD2 3.39Å; L40-L197 HydrophobicContact CD2-CD2 3.97Å; L40-L197 HydrophobicContact CD2-CG 4.09Å; N43-L197 HydrophobicContact CB-CD1 3.88Å; M47-L197 HydrophobicContact CG-CB 4.28Å; M47-L197 HydrophobicContact CG-CD1 3.87Å; F193-L197 HydrophobicContact CE1-CD2 4.09Å; F193-L197 WeakPolarHBondContact O-CB 3.48Å; F193-L197 PolarHBondContact O-N 3.38Å; I194-L197 PolarHBondContact O-N 2.99Å; L197-L200 PolarHBondContact O-N 3.34Å; L197-T201 VanDerWaalsContact O-CB 3.24Å; L197-T201 WeakPolarHBondContact O-CB 3.41Å; L197-T201 PolarHBondContact O-N 3.06Å; L197-T201 PolarHBondContact O-OG1 3.36Å |
| 198 | M | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 27% | 0.271 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 179.6 | -68.5 | -56.9 | -59.8 | 0 | 0 | 111.3 | I36 L40 I194 S196 T201 L202 | I36-M198 HydrophobicContact CD1-CE 4.25Å; L40-M198 HydrophobicContact CD2-SD 3.77Å; I194-M198 HydrophobicContact CG2-CG 3.86Å; I194-M198 VanDerWaalsContact O-CB 3.28Å; I194-M198 WeakPolarHBondContact O-CB 3.33Å; I194-M198 WeakPolarHBondContact O-CG 2.92Å; I194-M198 PolarHBondContact O-N 3.33Å; S196-M198 PolarHBondContact O-N 2.89Å; M198-T201 PolarHBondContact O-N 3.31Å; M198-L202 HydrophobicContact CB-CD1 4.48Å; M198-L202 HydrophobicContact CE-CD1 3.71Å; M198-L202 HydrophobicContact CE-CD2 4.24Å; M198-L202 HydrophobicContact CE-CG 3.96Å; M198-L202 VanDerWaalsContact O-CB 3.24Å; M198-L202 WeakPolarHBondContact O-CB 3.37Å; M198-L202 VanDerWaalsContact O-CG 3.24Å; M198-L202 WeakPolarHBondContact O-CG 3.44Å; M198-L202 PolarHBondContact O-N 3.21Å |
| 199 | T | 98.7 | Very high | 98.4 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.2 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | L195 S196 F203 | L195-T199 WeakPolarHBondContact O-CB 3.36Å; L195-T199 PolarHBondContact O-N 3.43Å; L195-T199 PolarHBondContact O-OG1 3.26Å; S196-T199 PolarHBondContact O-N 2.97Å; T199-F203 HydrophobicContact CG2-CD2 4.01Å; T199-F203 WeakPolarHBondContact O-CB 3.45Å; T199-F203 WeakPolarHBondContact O-CD2 3.25Å; T199-F203 PolarHBondContact O-N 3.25Å |
| 200 | L | 98.5 | Very high | 98.4 | Very high | 19 Ų | 19 | 67.1 Ų | 67.1 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 175.5 | 178.7 | 62.2 | 0 | 0 | 0 | 111.3 | N43 S196 L197 L202 S204 P205 L207 L208 | N43-L200 HydrophobicContact CB-CD2 3.78Å; N43-L200 HydrophobicContact CB-CG 4.17Å; N43-L200 WeakPolarHBondContact OD1-CD2 3.5Å; S196-L200 PolarHBondContact O-N 2.97Å; L197-L200 PolarHBondContact O-N 3.34Å; L200-L202 PolarHBondContact O-N 3.03Å; L200-S204 WeakPolarHBondContact CD1-O 3.31Å; L200-S204 CarbonylContact O-C 3.53Å; L200-S204 WeakPolarHBondContact O-CA 3.1Å; L200-S204 PolarHBondContact O-N 3.11Å; L200-S204 VanDerWaalsContact O-O 3.13Å; L200-P205 WeakPolarHBondContact O-CA 3.46Å; L200-L207 HydrophobicContact CD1-CB 4Å; L200-L207 HydrophobicContact CD1-CD2 4.12Å; L200-L208 HydrophobicContact CD1-CG 4.38Å; L200-L208 HydrophobicContact CD2-CD1 3.68Å; L200-L208 HydrophobicContact CD2-CG 4.36Å |
| 201 | T | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.5 | -36.2 | -175.5 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | I36 L40 L197 M198 P205 | I36-T201 HydrophobicContact CG1-CG2 4.32Å; L40-T201 HydrophobicContact CD2-CG2 4.17Å; L40-T201 HydrophobicContact CG-CG2 4.15Å; L197-T201 VanDerWaalsContact O-CB 3.24Å; L197-T201 WeakPolarHBondContact O-CB 3.41Å; L197-T201 PolarHBondContact O-N 3.06Å; L197-T201 PolarHBondContact O-OG1 3.36Å; M198-T201 PolarHBondContact O-N 3.31Å; T201-P205 WeakPolarHBondContact O-CB 3.25Å |
| 202 | L | 98.6 | Very high | 98.3 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -91.5 | -33.7 | -174.2 | -64.7 | 176.6 | 0 | 0 | 0 | 113.3 | W35 I36 M198 L200 | W35-L202 HydrophobicContact CH2-CD2 4.01Å; W35-L202 HydrophobicContact CZ3-CD2 4.31Å; I36-L202 HydrophobicContact CD1-CD2 3.94Å; M198-L202 HydrophobicContact CB-CD1 4.48Å; M198-L202 HydrophobicContact CE-CD1 3.71Å; M198-L202 HydrophobicContact CE-CD2 4.24Å; M198-L202 HydrophobicContact CE-CG 3.96Å; M198-L202 VanDerWaalsContact O-CB 3.24Å; M198-L202 WeakPolarHBondContact O-CB 3.37Å; M198-L202 VanDerWaalsContact O-CG 3.24Å; M198-L202 WeakPolarHBondContact O-CG 3.44Å; M198-L202 PolarHBondContact O-N 3.21Å; L200-L202 PolarHBondContact O-N 3.03Å |
| 203 | F | 98.6 | Very high | 98.2 | Very high | 168 Ų | 168 | 60.6 Ų | 60.6 | 74% | 0.737 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -105.6 | -27.1 | -174.6 | -63.5 | -71.7 | 0 | 0 | 0 | 113.6 | T199 | T199-F203 HydrophobicContact CG2-CD2 4.01Å; T199-F203 WeakPolarHBondContact O-CB 3.45Å; T199-F203 WeakPolarHBondContact O-CD2 3.25Å; T199-F203 PolarHBondContact O-N 3.25Å |
| 204 | S | 98.4 | Very high | 98.2 | Very high | 42 Ų | 42 | 62.8 Ų | 62.8 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | trans | -146.6 | 55.1 | -176.1 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | L200 D206 L207 | L200-S204 WeakPolarHBondContact CD1-O 3.31Å; L200-S204 CarbonylContact O-C 3.53Å; L200-S204 WeakPolarHBondContact O-CA 3.1Å; L200-S204 PolarHBondContact O-N 3.11Å; L200-S204 VanDerWaalsContact O-O 3.13Å; S204-D206 PolarHBondContact O-N 3.35Å; S204-D206 VanDerWaalsContact O-N 3.08Å; S204-L207 VanDerWaalsContact O-CB 3.31Å; S204-L207 WeakPolarHBondContact O-CB 3.33Å; S204-L207 PolarHBondContact O-N 2.87Å; S204-L207 VanDerWaalsContact O-N 3.1Å | ||
| 205 | P | 98.1 | Very high | 98.2 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.6 | -168 | 19.9 | -32.1 | 0 | 0 | 0 | 114.6 | Y39 N43 L200 T201 | Y39-P205 HydrophobicContact CD1-CB 3.56Å; Y39-P205 HydrophobicContact CD2-CB 4.14Å; Y39-P205 HydrophobicContact CE1-CB 3.8Å; Y39-P205 HydrophobicContact CE2-CB 4.37Å; Y39-P205 HydrophobicContact CG-CB 3.74Å; N43-P205 PolarHBondContact ND2-O 2.83Å; N43-P205 PolarHBondContact OD1-O 3.32Å; L200-P205 WeakPolarHBondContact O-CA 3.46Å; T201-P205 WeakPolarHBondContact O-CB 3.25Å |
| 206 | D | 98.3 | Very high | 98.1 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 0.3 | -176.4 | -66.3 | -48.9 | 0 | 0 | 0 | 113.9 | Y39 S204 L208 G209 Y214 | Y39-D206 WeakPolarHBondContact CE1-OD1 3.24Å; S204-D206 PolarHBondContact O-N 3.35Å; S204-D206 VanDerWaalsContact O-N 3.08Å; D206-L208 PolarHBondContact O-N 3.1Å; D206-L208 VanDerWaalsContact O-N 3.11Å; D206-G209 PolarHBondContact O-N 3.05Å; D206-Y214 PolarHBondContact OD1-OH 3.19Å |
| 207 | L | 98.6 | Very high | 98.1 | Very high | 125 Ų | 125 | 60.4 Ų | 60.4 | 65% | 0.654 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -34.1 | -173.1 | 179.4 | 63.6 | 0 | 0 | 0 | 113.6 | L200 S204 | L200-L207 HydrophobicContact CD1-CB 4Å; L200-L207 HydrophobicContact CD1-CD2 4.12Å; S204-L207 VanDerWaalsContact O-CB 3.31Å; S204-L207 WeakPolarHBondContact O-CB 3.33Å; S204-L207 PolarHBondContact O-N 2.87Å; S204-L207 VanDerWaalsContact O-N 3.1Å |
| 208 | L | 98.1 | Very high | 98 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 2 | -178 | -56.7 | -177.7 | 0 | 0 | 0 | 113.3 | L200 D206 | L200-L208 HydrophobicContact CD1-CG 4.38Å; L200-L208 HydrophobicContact CD2-CD1 3.68Å; L200-L208 HydrophobicContact CD2-CG 4.36Å; D206-L208 PolarHBondContact O-N 3.1Å; D206-L208 VanDerWaalsContact O-N 3.11Å |
| 209 | G | 96.5 | Very high | 97.9 | Very high | 50 Ų | 50 | 64.5 Ų | 64.5 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -95.1 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D206 | D206-G209 PolarHBondContact O-N 3.05Š|
| 210 | D | 97.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 69.2 Ų | 69.2 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | trans | -108.4 | 126.6 | 173.6 | -163.1 | -65 | 0 | 0 | 0 | 110.6 | M96 D212 N213 K227 | M96-D210 HydrophobicContact CG-CB 4.17Å; D210-D212 PolarHBondContact O-N 2.99Å; D210-D212 WeakPolarHBondContact OD1-CB 3.33Å; D210-D212 PolarHBondContact OD1-N 3.33Å; D210-N213 WeakPolarHBondContact O-CB 3.26Å; D210-N213 PolarHBondContact O-N 3.32Å; D210-N213 VanDerWaalsContact O-N 3.11Å; D210-K227 WeakPolarHBondContact OD2-CE 3.36Å; D210-K227 IonicContact OD2-NZ 3.57Å | ||
| 211 | P | 97.4 | Very high | 97.7 | Very high | 96 Ų | 96 | 72.7 Ų | 72.7 | 62% | 0.623 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -61.5 | -27.5 | -178.2 | 25.5 | -35.2 | 0 | 0 | 0 | 113.4 | N213 Y214 | P211-N213 PolarHBondContact O-N 3.1Å; P211-N213 VanDerWaalsContact O-N 3.17Å; P211-Y214 WeakPolarHBondContact O-CB 3.31Å; P211-Y214 PolarHBondContact O-N 3.38Å |
| 212 | D | 97.4 | Very high | 97.6 | Very high | 63 Ų | 63 | 76 Ų | 76 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -63.7 | -24.2 | 179 | -76.6 | -12.8 | 0 | 0 | 0 | 111.4 | Q95 M96 D210 Y214 T215 | Q95-D212 HydrophobicContact CB-CB 4.48Å; Q95-D212 WeakPolarHBondContact CB-O 3.36Å; M96-D212 HydrophobicContact CE-CB 3.44Å; M96-D212 VanDerWaalsContact CE-CB 3.44Å; M96-D212 WeakPolarHBondContact CE-OD2 3.41Å; M96-D212 HydrophobicContact CG-CB 3.84Å; D210-D212 PolarHBondContact O-N 2.99Å; D210-D212 WeakPolarHBondContact OD1-CB 3.33Å; D210-D212 PolarHBondContact OD1-N 3.33Å; D212-Y214 PolarHBondContact O-N 2.81Å; D212-T215 WeakPolarHBondContact O-CB 3.28Å; D212-T215 PolarHBondContact O-N 3.41Å |
| 213 | N | 97.8 | Very high | 97.4 | Very high | 19 Ų | 19 | 72.8 Ų | 72.8 | 10% | 0.102 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -74.5 | -4.5 | 176.9 | -139.8 | 32.6 | 0 | 0 | 0 | 114 | G94 M96 S97 D210 P211 T215 | G94-N213 VanDerWaalsContact C-OD1 3.25Å; G94-N213 VanDerWaalsContact CA-OD1 3.22Å; G94-N213 WeakPolarHBondContact CA-OD1 3.44Å; M96-N213 HydrophobicContact CB-CB 4.12Å; M96-N213 PolarHBondContact N-OD1 2.75Å; S97-N213 PolarHBondContact N-OD1 3.36Å; S97-N213 PolarHBondContact OG-ND2 3.11Å; S97-N213 PolarHBondContact OG-OD1 3.23Å; D210-N213 WeakPolarHBondContact O-CB 3.26Å; D210-N213 PolarHBondContact O-N 3.32Å; D210-N213 VanDerWaalsContact O-N 3.11Å; P211-N213 PolarHBondContact O-N 3.1Å; P211-N213 VanDerWaalsContact O-N 3.17Å; N213-T215 VanDerWaalsContact C-N 3.3Å |
| 214 | Y | 97.8 | Very high | 97.1 | Very high | 101 Ų | 101 | 72.7 Ų | 72.7 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -86.5 | 1.3 | 166.5 | -74 | -73 | 0 | 0 | 0 | 113.6 | F21 Y39 D206 P211 D212 | F21-Y214 WeakPolarHBondContact CZ-O 3.46Å; Y39-Y214 PolarHBondContact OH-OH 3.44Å; D206-Y214 PolarHBondContact OD1-OH 3.19Å; P211-Y214 WeakPolarHBondContact O-CB 3.31Å; P211-Y214 PolarHBondContact O-N 3.38Å; D212-Y214 PolarHBondContact O-N 2.81Å |
| 215 | T | 98.1 | Very high | 96.8 | Very high | 80 Ų | 80 | 78 Ų | 78 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -104.1 | 133.1 | 170 | -56.2 | 0 | 0 | 0 | 0 | 109.2 | G94 Q95 D212 N213 | G94-T215 CarbonylContact C-O 3.6Å; G94-T215 WeakPolarHBondContact CA-O 3.47Å; Q95-T215 HydrophobicContact CG-CG2 4.07Å; Q95-T215 PolarHBondContact N-O 3.4Å; D212-T215 WeakPolarHBondContact O-CB 3.28Å; D212-T215 PolarHBondContact O-N 3.41Å; N213-T215 VanDerWaalsContact C-N 3.3Å |
| 216 | L | 97.9 | Very high | 96.5 | Very high | 90 Ų | 90 | 78 Ų | 78 | 47% | 0.471 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -54.4 | 139.1 | 175.6 | 176.4 | 65.7 | 0 | 0 | 0 | 110.6 | F21 N218 | F21-L216 HydrophobicContact CB-CD1 3.46Å; F21-L216 VanDerWaalsContact CB-CD1 3.46Å; F21-L216 HydrophobicContact CD1-CB 4.35Å; F21-L216 HydrophobicContact CD1-CD1 4.24Å; F21-L216 HydrophobicContact CD2-CB 4.44Å; F21-L216 HydrophobicContact CD2-CD1 4.17Å; F21-L216 HydrophobicContact CE1-CB 4.5Å; F21-L216 HydrophobicContact CG-CB 4.33Å; F21-L216 HydrophobicContact CG-CD1 3.71Å; L216-N218 PolarHBondContact O-N 2.9Å |
| 217 | A | 97.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 79 Ų | 79 | 12% | 0.116 | 43% | 0.432 | C | S | . | . | trans | -52.8 | 130 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W93 F98 | W93-A217 HydrophobicContact CG-CB 4.44Å; W93-A217 WeakPolarHBondContact O-CB 3.34Å; W93-A217 PolarHBondContact O-N 2.97Å; W93-A217 VanDerWaalsContact O-N 3.1Å; F98-A217 HydrophobicContact CB-CB 3.51Å; F98-A217 HydrophobicContact CD2-CB 4.23Å; F98-A217 HydrophobicContact CG-CB 3.96Å | ||
| 218 | N | 97.5 | Very high | 96.3 | Very high | 66 Ų | 66 | 73.9 Ų | 73.9 | 35% | 0.353 | 41% | 0.406 | S | S | . | . | trans | -123.4 | 106.9 | 172.8 | -177 | -12.6 | 0 | 0 | 0 | 109.3 | W99 L216 L220 N221 | W99-N218 WeakPolarHBondContact CZ2-O 3.06Å; W99-N218 PolarHBondContact NE1-O 3.12Å; L216-N218 PolarHBondContact O-N 2.9Å; N218-L220 PolarHBondContact O-N 2.78Å; N218-L220 WeakPolarHBondContact OD1-CB 3.47Å; N218-L220 PolarHBondContact OD1-N 3.35Å; N218-N221 HydrophobicContact CB-CB 4.22Å; N218-N221 PolarHBondContact O-N 3.26Å; N218-N221 VanDerWaalsContact O-N 3.09Å | ||
| 219 | P | 96.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 71.7 Ų | 71.7 | 51% | 0.506 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.8 | 179.5 | -24.5 | 34.3 | 0 | 0 | 0 | 114.8 | F98 W99 | F98-P219 HydrophobicContact CE1-CB 4.16Å; F98-P219 HydrophobicContact CE1-CG 4.4Å; F98-P219 HydrophobicContact CE2-CG 4.21Å; F98-P219 HydrophobicContact CZ-CB 3.86Å; F98-P219 HydrophobicContact CZ-CG 3.89Å; W99-P219 WeakPolarHBondContact CH2-O 3.16Å; W99-P219 WeakPolarHBondContact CZ2-O 3.46Å |
| 220 | L | 96.9 | Very high | 96.4 | Very high | 166 Ų | 166 | 72.4 Ų | 72.4 | 87% | 0.869 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -5.8 | -178.6 | -55.7 | 179.7 | 0 | 0 | 0 | 113.4 | N218 | N218-L220 PolarHBondContact O-N 2.78Å; N218-L220 WeakPolarHBondContact OD1-CB 3.47Å; N218-L220 PolarHBondContact OD1-N 3.35Å |
| 221 | N | 96.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 71.8 Ų | 71.8 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | trans | -132.6 | 100.1 | -178.8 | -173.1 | -6.8 | 0 | 0 | 0 | 111.1 | Q95 W99 N218 | Q95-N221 PolarHBondContact NE2-O 2.81Å; W99-N221 PolarHBondContact NE1-O 2.71Å; N218-N221 HydrophobicContact CB-CB 4.22Å; N218-N221 PolarHBondContact O-N 3.26Å; N218-N221 VanDerWaalsContact O-N 3.09Å | ||
| 222 | T | 95.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 68.3 Ų | 68.3 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | trans | -76.1 | 123.9 | 174.6 | -49.7 | 0 | 0 | 0 | 0 | 110.6 | W99 I226 | W99-T222 HydrophobicContact CD2-CG2 4.17Å; W99-T222 HydrophobicContact CE3-CG2 4.18Å; W99-T222 WeakPolarHBondContact CH2-OG1 3.37Å; W99-T222 VanDerWaalsContact CZ2-OG1 3.28Å; W99-T222 WeakPolarHBondContact CZ2-OG1 3.25Å; W99-T222 HydrophobicContact CZ3-CG2 4.41Å; T222-I226 HydrophobicContact CG2-CD1 3.2Å; T222-I226 HydrophobicContact CG2-CG1 4.22Å | ||
| 223 | P | 94.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | trans | -54.1 | 146.7 | 171.2 | -26.6 | 34 | 0 | 0 | 0 | 112.1 | Q95 M96 H225 I226 | Q95-P223 HydrophobicContact CB-CG 3.88Å; M96-P223 HydrophobicContact CE-CB 3.46Å; M96-P223 VanDerWaalsContact CE-CB 3.46Å; M96-P223 HydrophobicContact CE-CG 3.77Å; P223-H225 PolarHBondContact O-N 3.1Å; P223-I226 HydrophobicContact CB-CG1 4.14Å; P223-I226 HydrophobicContact CG-CG1 4.29Å | ||
| 224 | L | 92 | Very high | 96.6 | Very high | 165 Ų | 165 | 67 Ų | 67 | 86% | 0.864 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -35.9 | -177.8 | -68.2 | 174.1 | 0 | 0 | 0 | 112.7 | ||
| 225 | H | 92.1 | Very high | 96.6 | Very high | 154 Ų | 154 | 62.3 Ų | 62.3 | 71% | 0.713 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | 75.1 | -176.6 | -61 | -49.8 | 0 | 0 | 0 | 111.6 | P223 K227 | P223-H225 PolarHBondContact O-N 3.1Å; H225-K227 PolarHBondContact O-N 3.06Å |
| 226 | I | 92.8 | Very high | 96.6 | Very high | 34 Ų | 34 | 61 Ų | 61 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | trans | -67 | 124.4 | 171.4 | -60.6 | 160.7 | 0 | 0 | 0 | 109.8 | W99 T222 P223 Y236 | W99-I226 HydrophobicContact CB-CD1 3.57Å; W99-I226 HydrophobicContact CB-CG1 3.9Å; W99-I226 HydrophobicContact CB-CG2 4.22Å; W99-I226 HydrophobicContact CD2-CD1 4.21Å; W99-I226 HydrophobicContact CE3-CD1 4.35Å; W99-I226 HydrophobicContact CG-CD1 3.9Å; W99-I226 HydrophobicContact CG-CG1 4.43Å; T222-I226 HydrophobicContact CG2-CD1 3.2Å; T222-I226 HydrophobicContact CG2-CG1 4.22Å; P223-I226 HydrophobicContact CB-CG1 4.14Å; P223-I226 HydrophobicContact CG-CG1 4.29Å; I226-Y236 PolarHBondContact O-OH 3Å | ||
| 227 | K | 94.4 | Very high | 96.6 | Very high | 95 Ų | 95 | 58.7 Ų | 58.7 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | trans | -142.3 | 153.4 | 175 | 62.1 | -177.5 | 177.6 | -178.2 | 0 | 109.7 | D210 H225 L233 | D210-K227 WeakPolarHBondContact OD2-CE 3.36Å; D210-K227 IonicContact OD2-NZ 3.57Å; H225-K227 PolarHBondContact O-N 3.06Å; K227-L233 HydrophobicContact CB-CD2 4.19Å | ||
| 228 | P | 96.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | trans | -76.5 | 174.9 | 169.4 | 37 | -37.6 | 0 | 0 | 0 | 110.5 | F232 L233 Y236 | P228-F232 HydrophobicContact CB-CB 3.79Å; P228-F232 HydrophobicContact CB-CD2 4.2Å; P228-F232 HydrophobicContact CB-CG 4.48Å; P228-F232 HydrophobicContact CG-CB 3.79Å; P228-L233 HydrophobicContact CG-CD2 4.22Å; P228-Y236 HydrophobicContact CG-CD2 4.33Å; P228-Y236 HydrophobicContact CG-CG 4.06Å | ||
| 229 | E | 97.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | trans | -61.8 | 157.7 | 173.3 | -52.7 | 93.6 | 95 | 0 | 0 | 111.7 | Y89 Y231 F232 | Y89-E229 WeakPolarHBondContact CB-OE1 3.38Å; Y89-E229 HydrophobicContact CD1-CG 4.07Å; Y89-E229 WeakPolarHBondContact CD1-OE2 3.3Å; Y89-E229 HydrophobicContact CD2-CG 3.68Å; Y89-E229 HydrophobicContact CE1-CG 4.01Å; Y89-E229 WeakPolarHBondContact CE1-OE2 3.34Å; Y89-E229 HydrophobicContact CE2-CG 3.62Å; Y89-E229 HydrophobicContact CG-CG 3.91Å; E229-Y231 HydrophobicContact CB-CD1 4.4Å; E229-Y231 HydrophobicContact CB-CD2 4.35Å; E229-Y231 HydrophobicContact CB-CE1 3.84Å; E229-Y231 HydrophobicContact CB-CE2 3.77Å; E229-Y231 VanDerWaalsContact CB-CZ 3.47Å; E229-Y231 HydrophobicContact CG-CE2 4.43Å; E229-Y231 PolarHBondContact O-N 3.25Å; E229-Y231 PolarHBondContact OE1-OH 3.21Å; E229-F232 PolarHBondContact O-N 3.33Å | ||
| 230 | W | 98.6 | Very high | 96.7 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 24% | 0.242 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -54.2 | -36.4 | -167.5 | 71.7 | -93.1 | 0 | 0 | 0 | 113.9 | S46 F49 I50 F53 F232 L233 | S46-W230 PolarHBondContact OG-NE1 3.17Å; F49-W230 HydrophobicContact CB-CH2 4.2Å; F49-W230 HydrophobicContact CB-CZ2 4.27Å; I50-W230 HydrophobicContact CD1-CH2 4.43Å; I50-W230 HydrophobicContact CD1-CZ2 4.3Å; I50-W230 HydrophobicContact CG1-CH2 3.54Å; I50-W230 HydrophobicContact CG1-CZ2 3.77Å; F53-W230 HydrophobicContact CD2-CH2 4.35Å; F53-W230 HydrophobicContact CD2-CZ3 4.28Å; F53-W230 HydrophobicContact CE2-CH2 4.17Å; F53-W230 AromaticContact CE2-CZ3 3.96Å; F53-W230 HydrophobicContact CE2-CZ3 3.96Å; W230-F232 PolarHBondContact O-N 3.2Å; W230-F232 VanDerWaalsContact O-N 3.13Å; W230-L233 HydrophobicContact CB-CD1 4.26Å; W230-L233 PolarHBondContact O-N 2.96Å; W230-L233 VanDerWaalsContact O-N 3.14Å |
| 231 | Y | 98.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -70.1 | -5.4 | -179.9 | 45.1 | -107.5 | 0 | 0 | 0 | 114 | F49 F53 A85 E229 F234 | F49-Y231 HydrophobicContact CB-CD1 4.11Å; F49-Y231 HydrophobicContact CB-CG 3.99Å; F49-Y231 HydrophobicContact CD1-CD2 4.29Å; F49-Y231 HydrophobicContact CD1-CG 4.11Å; F49-Y231 AromaticContact CD2-CD1 3.54Å; F49-Y231 HydrophobicContact CD2-CD1 3.54Å; F49-Y231 AromaticContact CD2-CD2 3.71Å; F49-Y231 HydrophobicContact CD2-CD2 3.71Å; F49-Y231 AromaticContact CD2-CE1 3.9Å; F49-Y231 HydrophobicContact CD2-CE1 3.9Å; F49-Y231 HydrophobicContact CD2-CE2 4.05Å; F49-Y231 AromaticContact CD2-CG 3.45Å; F49-Y231 HydrophobicContact CD2-CG 3.45Å; F49-Y231 VanDerWaalsContact CD2-CG 3.45Å; F49-Y231 HydrophobicContact CE1-CD2 4.23Å; F49-Y231 HydrophobicContact CE2-CD1 4.2Å; F49-Y231 AromaticContact CE2-CD2 3.64Å; F49-Y231 HydrophobicContact CE2-CD2 3.64Å; F49-Y231 HydrophobicContact CE2-CE1 4.25Å; F49-Y231 AromaticContact CE2-CE2 3.71Å; F49-Y231 HydrophobicContact CE2-CE2 3.71Å; F49-Y231 AromaticContact CE2-CG 3.91Å; F49-Y231 HydrophobicContact CE2-CG 3.91Å; F49-Y231 AromaticContact CG-CD1 3.95Å; F49-Y231 HydrophobicContact CG-CD1 3.95Å; F49-Y231 HydrophobicContact CG-CD2 4.05Å; F49-Y231 AromaticContact CG-CG 3.57Å; F49-Y231 HydrophobicContact CG-CG 3.57Å; F49-Y231 AromaticContact CZ-CD2 3.91Å; F49-Y231 HydrophobicContact CZ-CD2 3.91Å; F49-Y231 HydrophobicContact CZ-CE2 4.2Å; F49-Y231 HydrophobicContact CZ-CG 4.41Å; F53-Y231 WeakPolarHBondContact CZ-O 3.43Å; A85-Y231 HydrophobicContact CB-CE2 4.32Å; E229-Y231 HydrophobicContact CB-CD1 4.4Å; E229-Y231 HydrophobicContact CB-CD2 4.35Å; E229-Y231 HydrophobicContact CB-CE1 3.84Å; E229-Y231 HydrophobicContact CB-CE2 3.77Å; E229-Y231 VanDerWaalsContact CB-CZ 3.47Å; E229-Y231 HydrophobicContact CG-CE2 4.43Å; E229-Y231 PolarHBondContact O-N 3.25Å; E229-Y231 PolarHBondContact OE1-OH 3.21Å; Y231-F234 WeakPolarHBondContact O-CE1 3.34Å |
| 232 | F | 98.6 | Very high | 96.9 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 10% | 0.096 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -110.6 | -6.4 | 172.6 | -66.8 | -48.4 | 0 | 0 | 0 | 113.9 | F49 M82 F86 P228 E229 W230 F234 A235 Y236 | F49-F232 HydrophobicContact CZ-CE1 4.46Å; F49-F232 HydrophobicContact CZ-CZ 4.33Å; M82-F232 HydrophobicContact CB-CE1 3.82Å; M82-F232 HydrophobicContact CB-CZ 4.13Å; M82-F232 HydrophobicContact CE-CD1 3.79Å; M82-F232 HydrophobicContact CE-CE1 3.53Å; M82-F232 HydrophobicContact CG-CE1 3.81Å; M82-F232 HydrophobicContact CG-CZ 4.5Å; F86-F232 HydrophobicContact CB-CE2 4.29Å; F86-F232 HydrophobicContact CB-CZ 4.42Å; P228-F232 HydrophobicContact CB-CB 3.79Å; P228-F232 HydrophobicContact CB-CD2 4.2Å; P228-F232 HydrophobicContact CB-CG 4.48Å; P228-F232 HydrophobicContact CG-CB 3.79Å; E229-F232 PolarHBondContact O-N 3.33Å; W230-F232 PolarHBondContact O-N 3.2Å; W230-F232 VanDerWaalsContact O-N 3.13Å; F232-F234 PolarHBondContact O-N 3.36Å; F232-A235 PolarHBondContact O-N 2.58Å; F232-Y236 WeakPolarHBondContact O-CB 3.3Å; F232-Y236 PolarHBondContact O-N 3.39Å |
| 233 | L | 98.6 | Very high | 97 | Very high | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | -172.6 | -70.1 | 175.1 | 0 | 0 | 0 | 112.7 | K227 P228 W230 A235 Y236 T237 T294 | K227-L233 HydrophobicContact CB-CD2 4.19Å; P228-L233 HydrophobicContact CG-CD2 4.22Å; W230-L233 HydrophobicContact CB-CD1 4.26Å; W230-L233 PolarHBondContact O-N 2.96Å; W230-L233 VanDerWaalsContact O-N 3.14Å; L233-A235 VanDerWaalsContact C-N 3.27Å; L233-A235 PolarHBondContact O-N 3.48Å; L233-Y236 HydrophobicContact CD2-CD1 4.48Å; L233-Y236 WeakPolarHBondContact O-CB 3.35Å; L233-Y236 PolarHBondContact O-N 3.04Å; L233-T237 PolarHBondContact O-N 2.92Å; L233-T237 PolarHBondContact O-OG1 3.32Å; L233-T237 VanDerWaalsContact O-OG1 3.09Å; L233-T294 HydrophobicContact CB-CG2 4.12Å; L233-T294 HydrophobicContact CD1-CG2 4.34Å; L233-T294 WeakPolarHBondContact CD1-O 3.49Å |
| 234 | F | 98.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 10% | 0.101 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.8 | -43.3 | 177.9 | 79.2 | -83.4 | 0 | 0 | 0 | 112.5 | F53 Y231 F232 T237 I238 I256 L290 L293 | F53-F234 HydrophobicContact CE1-CE1 4.42Å; F53-F234 HydrophobicContact CZ-CE1 4.19Å; Y231-F234 WeakPolarHBondContact O-CE1 3.34Å; F232-F234 PolarHBondContact O-N 3.36Å; F234-T237 PolarHBondContact O-N 3.49Å; F234-I238 HydrophobicContact CD2-CD1 4.43Å; F234-I238 WeakPolarHBondContact O-CG1 3.38Å; F234-I238 PolarHBondContact O-N 2.94Å; F234-I256 HydrophobicContact CE2-CD1 3.94Å; F234-I256 HydrophobicContact CZ-CD1 3.59Å; F234-L290 HydrophobicContact CB-CD2 4.48Å; F234-L290 HydrophobicContact CD2-CD2 3.88Å; F234-L290 HydrophobicContact CG-CD2 4.36Å; F234-L293 WeakPolarHBondContact CA-O 3.45Å; F234-L293 HydrophobicContact CB-CB 3.94Å |
| 235 | A | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.3 | -36.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F232 L233 I238 L239 L252 | F232-A235 PolarHBondContact O-N 2.58Å; L233-A235 VanDerWaalsContact C-N 3.27Å; L233-A235 PolarHBondContact O-N 3.48Å; A235-I238 PolarHBondContact O-N 3.48Å; A235-L239 PolarHBondContact O-N 3.47Å; A235-L252 HydrophobicContact CB-CD1 3.51Å; A235-L252 VanDerWaalsContact O-CD1 3.25Å; A235-L252 WeakPolarHBondContact O-CD1 3.28Å |
| 236 | Y | 98.2 | Very high | 97.5 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 172.4 | 170.4 | -100.8 | 0 | 0 | 0 | 112.6 | I226 P228 F232 L233 L239 R240 | I226-Y236 PolarHBondContact O-OH 3Å; P228-Y236 HydrophobicContact CG-CD2 4.33Å; P228-Y236 HydrophobicContact CG-CG 4.06Å; F232-Y236 WeakPolarHBondContact O-CB 3.3Å; F232-Y236 PolarHBondContact O-N 3.39Å; L233-Y236 HydrophobicContact CD2-CD1 4.48Å; L233-Y236 WeakPolarHBondContact O-CB 3.35Å; L233-Y236 PolarHBondContact O-N 3.04Å; Y236-L239 WeakPolarHBondContact O-CB 3.38Å; Y236-L239 PolarHBondContact O-N 3.35Å; Y236-R240 VanDerWaalsContact CE1-CD 3.48Å; Y236-R240 HydrophobicContact CE2-CG 4.32Å; Y236-R240 WeakPolarHBondContact O-CG 3.43Å; Y236-R240 PolarHBondContact O-N 2.91Å; Y236-R240 VanDerWaalsContact O-N 3.12Å; Y236-R240 WeakPolarHBondContact OH-CD 3.31Å; Y236-R240 PolarHBondContact OH-NH1 3.4Å |
| 237 | T | 98.4 | Very high | 97.8 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 174.6 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | L233 F234 L239 R240 S241 L293 | L233-T237 PolarHBondContact O-N 2.92Å; L233-T237 PolarHBondContact O-OG1 3.32Å; L233-T237 VanDerWaalsContact O-OG1 3.09Å; F234-T237 PolarHBondContact O-N 3.49Å; T237-L239 VanDerWaalsContact C-N 3.34Å; T237-L239 PolarHBondContact O-N 3.01Å; T237-R240 PolarHBondContact O-N 3.39Å; T237-S241 PolarHBondContact O-N 2.94Å; T237-S241 PolarHBondContact O-OG 3.01Å; T237-L293 WeakPolarHBondContact CB-O 3.19Å; T237-L293 HydrophobicContact CG2-CD2 3.78Å; T237-L293 PolarHBondContact OG1-O 3.1Å |
| 238 | I | 98.6 | Very high | 98 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -45.2 | 174.8 | -67.5 | 167.5 | 0 | 0 | 0 | 111.7 | F234 A235 R240 S241 A251 L293 | F234-I238 HydrophobicContact CD2-CD1 4.43Å; F234-I238 WeakPolarHBondContact O-CG1 3.38Å; F234-I238 PolarHBondContact O-N 2.94Å; A235-I238 PolarHBondContact O-N 3.48Å; I238-R240 VanDerWaalsContact C-N 3.27Å; I238-R240 PolarHBondContact O-N 2.85Å; I238-S241 PolarHBondContact O-N 3.04Å; I238-A251 HydrophobicContact CG2-CB 3.91Å; I238-L293 HydrophobicContact CD1-CD1 4.07Å; I238-L293 HydrophobicContact CG1-CD1 4.09Å; I238-L293 HydrophobicContact CG1-CD2 4.25Å |
| 239 | L | 98.1 | Very high | 98 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.9 | -45.1 | 175.2 | 168.8 | 66.3 | 0 | 0 | 0 | 111.4 | L107 A235 Y236 T237 G248 V249 L252 | L107-L239 HydrophobicContact CD1-CD2 3.98Å; L107-L239 HydrophobicContact CD2-CD1 4.32Å; L107-L239 HydrophobicContact CD2-CD2 4.13Å; A235-L239 PolarHBondContact O-N 3.47Å; Y236-L239 WeakPolarHBondContact O-CB 3.38Å; Y236-L239 PolarHBondContact O-N 3.35Å; T237-L239 VanDerWaalsContact C-N 3.34Å; T237-L239 PolarHBondContact O-N 3.01Å; L239-G248 VanDerWaalsContact CD1-O 3.31Å; L239-G248 WeakPolarHBondContact CD1-O 3.23Å; L239-V249 HydrophobicContact CD1-CG2 4.33Å; L239-L252 HydrophobicContact CB-CB 4.21Å; L239-L252 HydrophobicContact CB-CD1 4.4Å; L239-L252 HydrophobicContact CD1-CB 4.39Å; L239-L252 HydrophobicContact CD2-CD2 4.48Å |
| 240 | R | 97.4 | Very high | 98 | Very high | 171 Ų | 171 | 54.5 Ų | 54.5 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -77.9 | -20.6 | -176.6 | -72.8 | -175.1 | 60.2 | -173.3 | -5.7 | 114.1 | Y236 T237 I238 V242 | Y236-R240 VanDerWaalsContact CE1-CD 3.48Å; Y236-R240 HydrophobicContact CE2-CG 4.32Å; Y236-R240 WeakPolarHBondContact O-CG 3.43Å; Y236-R240 PolarHBondContact O-N 2.91Å; Y236-R240 VanDerWaalsContact O-N 3.12Å; Y236-R240 WeakPolarHBondContact OH-CD 3.31Å; Y236-R240 PolarHBondContact OH-NH1 3.4Å; T237-R240 PolarHBondContact O-N 3.39Å; I238-R240 VanDerWaalsContact C-N 3.27Å; I238-R240 PolarHBondContact O-N 2.85Å; R240-V242 PolarHBondContact O-N 3.43Å |
| 241 | S | 98 | Very high | 98 | Very high | 84 Ų | 84 | 52.6 Ų | 52.6 | 59% | 0.587 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.7 | -18.1 | 177.4 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | T237 I238 | T237-S241 PolarHBondContact O-N 2.94Å; T237-S241 PolarHBondContact O-OG 3.01Å; I238-S241 PolarHBondContact O-N 3.04Å |
| 242 | V | 98.4 | Very high | 98 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -102.1 | 115.3 | -179.3 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | R240 N244 A251 | R240-V242 PolarHBondContact O-N 3.43Å; V242-N244 HydrophobicContact CG1-CB 4.32Å; V242-N244 PolarHBondContact O-N 3.43Å; V242-A251 HydrophobicContact CG2-CB 3.91Å |
| 243 | P | 97.4 | Very high | 97.9 | Very high | 138 Ų | 138 | 57.2 Ų | 57.2 | 90% | 0.896 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -79 | 44.3 | -177.8 | 34.4 | -37.3 | 0 | 0 | 0 | 112.7 | ||
| 244 | N | 97.8 | Very high | 97.9 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -149.5 | 129.5 | 176.2 | -179.9 | -81.8 | 0 | 0 | 0 | 109 | V242 L246 G247 G248 | V242-N244 HydrophobicContact CG1-CB 4.32Å; V242-N244 PolarHBondContact O-N 3.43Å; N244-L246 PolarHBondContact O-N 3.39Å; N244-L246 PolarHBondContact OD1-N 3.09Å; N244-L246 VanDerWaalsContact OD1-N 3.07Å; N244-G247 PolarHBondContact O-N 2.95Å; N244-G247 PolarHBondContact OD1-N 3.2Å; N244-G248 PolarHBondContact O-N 2.87Å |
| 245 | K | 95.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 61 Ų | 61 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.2 | -51.7 | -176.2 | -172.7 | 178.4 | 179.9 | 174 | 0 | 112.3 | N106 S109 A110 V249 | N106-K245 PolarHBondContact O-NZ 2.91Å; S109-K245 PolarHBondContact OG-NZ 3.34Å; A110-K245 HydrophobicContact CB-CD 4.34Å; A110-K245 HydrophobicContact CB-CG 4.06Å; K245-V249 VanDerWaalsContact O-CG2 3.29Å; K245-V249 WeakPolarHBondContact O-CG2 3.38Å; K245-V249 PolarHBondContact O-N 3.05Å; K245-V249 VanDerWaalsContact O-N 3.09Å |
| 246 | L | 97.3 | Very high | 97.8 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 179.6 | 176 | 60.3 | 0 | 0 | 0 | 111.5 | A110 N244 G248 V249 L250 | A110-L246 HydrophobicContact CB-CB 4.44Å; A110-L246 HydrophobicContact CB-CD1 4.32Å; N244-L246 PolarHBondContact O-N 3.39Å; N244-L246 PolarHBondContact OD1-N 3.09Å; N244-L246 VanDerWaalsContact OD1-N 3.07Å; L246-G248 VanDerWaalsContact C-N 3.33Å; L246-G248 PolarHBondContact O-N 3.27Å; L246-V249 PolarHBondContact O-N 3.48Å; L246-L250 HydrophobicContact CD1-CD1 4.16Å; L246-L250 HydrophobicContact CD1-CG 4.11Å; L246-L250 HydrophobicContact CG-CD1 4.08Å; L246-L250 HydrophobicContact CG-CG 4.44Å; L246-L250 WeakPolarHBondContact O-CG 3.46Å; L246-L250 PolarHBondContact O-N 3.47Å |
| 247 | G | 98.3 | Very high | 97.8 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N244 L250 A251 | N244-G247 PolarHBondContact O-N 2.95Å; N244-G247 PolarHBondContact OD1-N 3.2Å; G247-L250 PolarHBondContact O-N 2.88Å; G247-A251 WeakPolarHBondContact O-CB 3.46Å; G247-A251 PolarHBondContact O-N 2.9Å |
| 248 | G | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L239 N244 L246 L250 A251 L252 | L239-G248 VanDerWaalsContact CD1-O 3.31Å; L239-G248 WeakPolarHBondContact CD1-O 3.23Å; N244-G248 PolarHBondContact O-N 2.87Å; L246-G248 VanDerWaalsContact C-N 3.33Å; L246-G248 PolarHBondContact O-N 3.27Å; G248-L250 VanDerWaalsContact C-N 3.33Å; G248-L250 PolarHBondContact O-N 3.47Å; G248-A251 PolarHBondContact O-N 2.87Å; G248-L252 WeakPolarHBondContact O-CB 3.5Å; G248-L252 PolarHBondContact O-N 3.32Å |
| 249 | V | 97.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 9% | 0.085 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | L107 A110 L239 K245 L246 L252 L253 | L107-V249 HydrophobicContact CB-CG2 3.81Å; L107-V249 HydrophobicContact CD2-CG2 3.89Å; L107-V249 HydrophobicContact CG-CG2 4.31Å; A110-V249 HydrophobicContact CB-CB 4.38Å; A110-V249 HydrophobicContact CB-CG2 4.02Å; L239-V249 HydrophobicContact CD1-CG2 4.33Å; K245-V249 VanDerWaalsContact O-CG2 3.29Å; K245-V249 WeakPolarHBondContact O-CG2 3.38Å; K245-V249 PolarHBondContact O-N 3.05Å; K245-V249 VanDerWaalsContact O-N 3.09Å; L246-V249 PolarHBondContact O-N 3.48Å; V249-L252 PolarHBondContact O-N 3.41Å; V249-L253 HydrophobicContact CG1-CD1 4.28Å; V249-L253 WeakPolarHBondContact O-CG 3.14Å; V249-L253 PolarHBondContact O-N 3.25Å |
| 250 | L | 98.1 | Very high | 97.8 | Very high | 88 Ų | 88 | 64.4 Ų | 64.4 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.7 | -68.5 | 174.7 | 0 | 0 | 0 | 111.6 | L246 G247 G248 L252 L253 L254 | L246-L250 HydrophobicContact CD1-CD1 4.16Å; L246-L250 HydrophobicContact CD1-CG 4.11Å; L246-L250 HydrophobicContact CG-CD1 4.08Å; L246-L250 HydrophobicContact CG-CG 4.44Å; L246-L250 WeakPolarHBondContact O-CG 3.46Å; L246-L250 PolarHBondContact O-N 3.47Å; G247-L250 PolarHBondContact O-N 2.88Å; G248-L250 VanDerWaalsContact C-N 3.33Å; G248-L250 PolarHBondContact O-N 3.47Å; L250-L252 VanDerWaalsContact C-N 3.35Å; L250-L252 PolarHBondContact O-N 2.81Å; L250-L253 PolarHBondContact O-N 3.02Å; L250-L254 VanDerWaalsContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 VanDerWaalsContact O-CG 3.23Å; L250-L254 WeakPolarHBondContact O-CG 3.39Å; L250-L254 PolarHBondContact O-N 2.95Å |
| 251 | A | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | I238 V242 G247 G248 L254 S255 | I238-A251 HydrophobicContact CG2-CB 3.91Å; V242-A251 HydrophobicContact CG2-CB 3.91Å; G247-A251 WeakPolarHBondContact O-CB 3.46Å; G247-A251 PolarHBondContact O-N 2.9Å; G248-A251 PolarHBondContact O-N 2.87Å; A251-L254 PolarHBondContact O-N 3.4Å; A251-S255 WeakPolarHBondContact O-CB 3.34Å; A251-S255 PolarHBondContact O-N 3.07Å |
| 252 | L | 97.7 | Very high | 97.9 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.1 | -53.3 | 173.2 | 176.1 | 70.5 | 0 | 0 | 0 | 111.2 | L107 A235 L239 G248 V249 L250 L254 S255 | L107-L252 HydrophobicContact CD1-CD2 3.74Å; A235-L252 HydrophobicContact CB-CD1 3.51Å; A235-L252 VanDerWaalsContact O-CD1 3.25Å; A235-L252 WeakPolarHBondContact O-CD1 3.28Å; L239-L252 HydrophobicContact CB-CB 4.21Å; L239-L252 HydrophobicContact CB-CD1 4.4Å; L239-L252 HydrophobicContact CD1-CB 4.39Å; L239-L252 HydrophobicContact CD2-CD2 4.48Å; G248-L252 WeakPolarHBondContact O-CB 3.5Å; G248-L252 PolarHBondContact O-N 3.32Å; V249-L252 PolarHBondContact O-N 3.41Å; L250-L252 VanDerWaalsContact C-N 3.35Å; L250-L252 PolarHBondContact O-N 2.81Å; L252-L254 PolarHBondContact O-N 2.83Å; L252-S255 WeakPolarHBondContact O-CB 3.25Å; L252-S255 PolarHBondContact O-N 2.81Å; L252-S255 PolarHBondContact O-OG 2.97Å |
| 253 | L | 96.9 | Very high | 97.8 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | -179.6 | -71.1 | 172.1 | 0 | 0 | 0 | 111.4 | V249 L250 S255 I256 L257 | V249-L253 HydrophobicContact CG1-CD1 4.28Å; V249-L253 WeakPolarHBondContact O-CG 3.14Å; V249-L253 PolarHBondContact O-N 3.25Å; L250-L253 PolarHBondContact O-N 3.02Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 2.77Å; L253-I256 PolarHBondContact O-N 2.91Å; L253-L257 WeakPolarHBondContact O-CG 3.5Å; L253-L257 PolarHBondContact O-N 3.45Å |
| 254 | L | 98 | Very high | 97.8 | Very high | 107 Ų | 107 | 56.5 Ų | 56.5 | 56% | 0.56 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.6 | -28.5 | 179.3 | -70.9 | 172.7 | 0 | 0 | 0 | 112.7 | L250 A251 L252 I256 L257 I258 | L250-L254 VanDerWaalsContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 VanDerWaalsContact O-CG 3.23Å; L250-L254 WeakPolarHBondContact O-CG 3.39Å; L250-L254 PolarHBondContact O-N 2.95Å; A251-L254 PolarHBondContact O-N 3.4Å; L252-L254 PolarHBondContact O-N 2.83Å; L254-I256 PolarHBondContact O-N 3.45Å; L254-I256 VanDerWaalsContact O-N 3.14Å; L254-L257 PolarHBondContact O-N 3.28Å; L254-I258 VanDerWaalsContact O-CB 3.23Å; L254-I258 WeakPolarHBondContact O-CB 3.29Å; L254-I258 WeakPolarHBondContact O-CG2 3.45Å; L254-I258 PolarHBondContact O-N 3.46Å |
| 255 | S | 98.1 | Very high | 97.8 | Very high | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -26.6 | 175.8 | 77.2 | 0 | 0 | 0 | 0 | 113.4 | A251 L252 L253 I258 | A251-S255 WeakPolarHBondContact O-CB 3.34Å; A251-S255 PolarHBondContact O-N 3.07Å; L252-S255 WeakPolarHBondContact O-CB 3.25Å; L252-S255 PolarHBondContact O-N 2.81Å; L252-S255 PolarHBondContact O-OG 2.97Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 2.77Å; S255-I258 WeakPolarHBondContact O-CG2 3.4Å |
| 256 | I | 98.2 | Very high | 97.9 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -97.9 | -46.6 | 175.2 | -48.7 | -58.5 | 0 | 0 | 0 | 110.7 | L78 L79 M82 F234 L253 L254 I258 L259 | L78-I256 HydrophobicContact CD2-CG2 3.8Å; L79-I256 HydrophobicContact CD2-CG2 3.8Å; L79-I256 HydrophobicContact CG-CG2 4.45Å; M82-I256 HydrophobicContact CE-CD1 3.9Å; M82-I256 HydrophobicContact CE-CG1 4.09Å; M82-I256 HydrophobicContact SD-CD1 4.25Å; M82-I256 HydrophobicContact SD-CG1 4.38Å; M82-I256 HydrophobicContact SD-CG2 4.38Å; F234-I256 HydrophobicContact CE2-CD1 3.94Å; F234-I256 HydrophobicContact CZ-CD1 3.59Å; L253-I256 PolarHBondContact O-N 2.91Å; L254-I256 PolarHBondContact O-N 3.45Å; L254-I256 VanDerWaalsContact O-N 3.14Å; I256-I258 PolarHBondContact O-N 2.85Å; I256-L259 WeakPolarHBondContact O-CB 3.45Å; I256-L259 WeakPolarHBondContact O-CG 3.09Å; I256-L259 PolarHBondContact O-N 3.01Å; I256-L259 VanDerWaalsContact O-N 3.13Å |
| 257 | L | 97.9 | Very high | 98 | Very high | 77 Ų | 77 | 59.8 Ų | 59.8 | 40% | 0.403 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.8 | -17.7 | -175.9 | -66.1 | 179.4 | 0 | 0 | 0 | 113.5 | L79 L253 L254 L259 A260 | L79-L257 HydrophobicContact CD1-CD2 4.21Å; L253-L257 WeakPolarHBondContact O-CG 3.5Å; L253-L257 PolarHBondContact O-N 3.45Å; L254-L257 PolarHBondContact O-N 3.28Å; L257-L259 PolarHBondContact O-N 2.93Å; L257-L259 VanDerWaalsContact O-N 3.11Å; L257-A260 WeakPolarHBondContact O-CB 3.47Å; L257-A260 PolarHBondContact O-N 3.41Å |
| 258 | I | 98.4 | Very high | 98 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -56.7 | -25.3 | 171.8 | -166.1 | 64.2 | 0 | 0 | 0 | 112.3 | L254 S255 I256 A260 M261 I262 | L254-I258 VanDerWaalsContact O-CB 3.23Å; L254-I258 WeakPolarHBondContact O-CB 3.29Å; L254-I258 WeakPolarHBondContact O-CG2 3.45Å; L254-I258 PolarHBondContact O-N 3.46Å; S255-I258 WeakPolarHBondContact O-CG2 3.4Å; I256-I258 PolarHBondContact O-N 2.85Å; I258-A260 PolarHBondContact O-N 3.15Å; I258-M261 HydrophobicContact CD1-CB 4.14Å; I258-M261 HydrophobicContact CD1-CG 4.22Å; I258-M261 WeakPolarHBondContact O-CB 3.38Å; I258-M261 PolarHBondContact O-N 3.13Å; I258-I262 PolarHBondContact O-N 2.88Å |
| 259 | L | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 70.8 Ų | 70.8 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -56.6 | -32.8 | 173.9 | -67.6 | 174.8 | 0 | 0 | 0 | 112.5 | I56 L60 W71 I75 L78 I256 L257 M261 I262 | I56-L259 HydrophobicContact CG2-CD1 4.48Å; I56-L259 HydrophobicContact CG2-CD2 4.14Å; L60-L259 HydrophobicContact CD2-CD2 4.46Å; W71-L259 HydrophobicContact CH2-CD2 4.42Å; W71-L259 HydrophobicContact CZ2-CB 4.2Å; W71-L259 HydrophobicContact CZ2-CD2 3.98Å; W71-L259 PolarHBondContact NE1-O 3.03Å; I75-L259 HydrophobicContact CD1-CB 3.79Å; I75-L259 HydrophobicContact CG1-CB 3.95Å; L78-L259 HydrophobicContact CD2-CD1 3.75Å; I256-L259 WeakPolarHBondContact O-CB 3.45Å; I256-L259 WeakPolarHBondContact O-CG 3.09Å; I256-L259 PolarHBondContact O-N 3.01Å; I256-L259 VanDerWaalsContact O-N 3.13Å; L257-L259 PolarHBondContact O-N 2.93Å; L257-L259 VanDerWaalsContact O-N 3.11Å; L259-M261 VanDerWaalsContact C-N 3.25Å; L259-M261 PolarHBondContact O-N 3.09Å; L259-I262 WeakPolarHBondContact O-CB 3.28Å; L259-I262 WeakPolarHBondContact O-CG1 3.45Å; L259-I262 PolarHBondContact O-N 3.47Å |
| 260 | A | 98.1 | Very high | 98 | Very high | 40 Ų | 40 | 74.5 Ų | 74.5 | 33% | 0.331 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -70.9 | -22.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I75 L257 I258 P263 | I75-A260 HydrophobicContact CD1-CB 3.87Å; L257-A260 WeakPolarHBondContact O-CB 3.47Å; L257-A260 PolarHBondContact O-N 3.41Å; I258-A260 PolarHBondContact O-N 3.15Å; A260-P263 WeakPolarHBondContact O-CD 3.32Å |
| 261 | M | 97.9 | Very high | 97.9 | Very high | 88 Ų | 88 | 72.4 Ų | 72.4 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -82.6 | -18.9 | 177.4 | -60.3 | -57.9 | -65.3 | 0 | 0 | 112.5 | I258 L259 I264 L265 | I258-M261 HydrophobicContact CD1-CB 4.14Å; I258-M261 HydrophobicContact CD1-CG 4.22Å; I258-M261 WeakPolarHBondContact O-CB 3.38Å; I258-M261 PolarHBondContact O-N 3.13Å; L259-M261 VanDerWaalsContact C-N 3.25Å; L259-M261 PolarHBondContact O-N 3.09Å; M261-I264 HydrophobicContact CE-CD1 4.24Å; M261-I264 WeakPolarHBondContact O-CB 3.38Å; M261-I264 PolarHBondContact O-N 3.24Å; M261-I264 HydrophobicContact SD-CD1 4.38Å; M261-L265 HydrophobicContact CB-CD1 4.08Å; M261-L265 HydrophobicContact CB-CG 4.45Å; M261-L265 WeakPolarHBondContact O-CG 3.5Å; M261-L265 PolarHBondContact O-N 2.59Å |
| 262 | I | 98 | Very high | 97.9 | Very high | 40 Ų | 40 | 71.4 Ų | 71.4 | 21% | 0.205 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -44.1 | -173.9 | -59.5 | -64 | 0 | 0 | 0 | 113.6 | L60 F65 I258 L259 I264 L265 H266 | L60-I262 HydrophobicContact CD2-CD1 4.47Å; L60-I262 HydrophobicContact CD2-CG1 4.12Å; L60-I262 HydrophobicContact CD2-CG2 3.88Å; F65-I262 HydrophobicContact CB-CG2 4.37Å; F65-I262 HydrophobicContact CD1-CG2 3.51Å; F65-I262 HydrophobicContact CD2-CG2 3.8Å; F65-I262 HydrophobicContact CE1-CG2 3.57Å; F65-I262 HydrophobicContact CE2-CG2 3.89Å; F65-I262 HydrophobicContact CG-CG2 3.63Å; F65-I262 HydrophobicContact CZ-CG2 3.76Å; I258-I262 PolarHBondContact O-N 2.88Å; L259-I262 WeakPolarHBondContact O-CB 3.28Å; L259-I262 WeakPolarHBondContact O-CG1 3.45Å; L259-I262 PolarHBondContact O-N 3.47Å; I262-I264 VanDerWaalsContact C-N 3.26Å; I262-I264 PolarHBondContact O-N 2.95Å; I262-L265 PolarHBondContact O-N 3.07Å; I262-H266 PolarHBondContact O-N 3.45Å |
| 263 | P | 97.5 | Very high | 98 | Very high | 27 Ų | 27 | 71 Ų | 71 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -35.8 | 177 | -23.4 | 34.7 | 0 | 0 | 0 | 113.1 | F65 A260 H266 | F65-P263 HydrophobicContact CB-CG 4.34Å; F65-P263 HydrophobicContact CD2-CB 4.32Å; F65-P263 HydrophobicContact CD2-CG 4.2Å; F65-P263 WeakPolarHBondContact O-CG 3.41Å; A260-P263 WeakPolarHBondContact O-CD 3.32Å; P263-H266 WeakPolarHBondContact O-CB 3.22Å; P263-H266 PolarHBondContact O-N 3.38Å |
| 264 | I | 97.3 | Very high | 98 | Very high | 123 Ų | 123 | 70.3 Ų | 70.3 | 63% | 0.631 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -31.9 | -179 | -54 | 170.3 | 0 | 0 | 0 | 110.9 | M261 I262 H266 | M261-I264 HydrophobicContact CE-CD1 4.24Å; M261-I264 WeakPolarHBondContact O-CB 3.38Å; M261-I264 PolarHBondContact O-N 3.24Å; M261-I264 HydrophobicContact SD-CD1 4.38Å; I262-I264 VanDerWaalsContact C-N 3.26Å; I262-I264 PolarHBondContact O-N 2.95Å; I264-H266 PolarHBondContact O-N 3.14Å |
| 265 | L | 97.8 | Very high | 98 | Very high | 107 Ų | 107 | 70.6 Ų | 70.6 | 56% | 0.56 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.3 | 178.1 | -63.5 | 172.6 | 0 | 0 | 0 | 113.2 | M261 I262 M267 | M261-L265 HydrophobicContact CB-CD1 4.08Å; M261-L265 HydrophobicContact CB-CG 4.45Å; M261-L265 WeakPolarHBondContact O-CG 3.5Å; M261-L265 PolarHBondContact O-N 2.59Å; I262-L265 PolarHBondContact O-N 3.07Å; L265-M267 PolarHBondContact O-N 3.1Å; L265-M267 VanDerWaalsContact O-N 3.16Å |
| 266 | H | 98.2 | Very high | 98.1 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | trans | -77.4 | 101.1 | -178.7 | -171 | 84.8 | 0 | 0 | 0 | 112.3 | F65 L66 I262 P263 I264 S268 | F65-H266 HydrophobicContact CE2-CB 3.96Å; F65-H266 AromaticContact CE2-ND1 3.75Å; F65-H266 HydrophobicContact CZ-CB 4.48Å; F65-H266 AromaticContact CZ-ND1 3.61Å; L66-H266 HydrophobicContact CD2-CB 4.22Å; I262-H266 PolarHBondContact O-N 3.45Å; P263-H266 WeakPolarHBondContact O-CB 3.22Å; P263-H266 PolarHBondContact O-N 3.38Å; I264-H266 PolarHBondContact O-N 3.14Å; H266-S268 PolarHBondContact NE2-O 3.21Å | ||
| 267 | M | 97.8 | Very high | 98.1 | Very high | 175 Ų | 175 | 75.2 Ų | 75.2 | 86% | 0.862 | 38% | 0.382 | S | S | * | . | trans | -100 | -8.3 | -179.6 | -59.1 | -59.1 | -69.6 | 0 | 0 | 114.4 | L265 | L265-M267 PolarHBondContact O-N 3.1Å; L265-M267 VanDerWaalsContact O-N 3.16Å | ||
| 268 | S | 97.9 | Very high | 98.1 | Very high | 37 Ų | 37 | 78.2 Ų | 78.2 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | trans | -74.6 | 150.7 | -176.8 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | H266 Q270 R276 | H266-S268 PolarHBondContact NE2-O 3.21Å; S268-Q270 VanDerWaalsContact C-N 3.25Å; S268-Q270 PolarHBondContact OG-N 3.36Å; S268-Q270 PolarHBondContact OG-O 3.45Å; S268-R276 WeakPolarHBondContact OG-CD 3.26Å; S268-R276 PolarHBondContact OG-NE 2.92Å; S268-R276 PolarHBondContact OG-NH1 2.91Å | ||
| 269 | K | 98 | Very high | 98.1 | Very high | 218 Ų | 218 | 75.5 Ų | 75.5 | 95% | 0.948 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -81 | -7.5 | 168.4 | -61.3 | -174.8 | 179.5 | -177.5 | 0 | 112.8 | ||
| 270 | Q | 98.1 | Very high | 98.1 | Very high | 91 Ų | 91 | 76.7 Ų | 76.7 | 43% | 0.425 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -116.7 | 127 | 179.9 | -65.6 | 170.6 | -39 | 0 | 0 | 109.7 | S268 R276 | S268-Q270 VanDerWaalsContact C-N 3.25Å; S268-Q270 PolarHBondContact OG-N 3.36Å; S268-Q270 PolarHBondContact OG-O 3.45Å; Q270-R276 PolarHBondContact O-NH1 3.42Å; Q270-R276 VanDerWaalsContact O-NH1 3.1Å; Q270-R276 VanDerWaalsContact OE1-CG 3.24Å |
| 271 | Q | 97.8 | Very high | 98.1 | Very high | 44 Ų | 44 | 78.1 Ų | 78.1 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -62.9 | -56.7 | -177.4 | 175.4 | 167.5 | 2.4 | 0 | 0 | 112.3 | G63 L66 N164 | G63-Q271 WeakPolarHBondContact O-CG 3.14Å; G63-Q271 PolarHBondContact O-NE2 3.04Å; L66-Q271 HydrophobicContact CD1-CB 4.15Å; L66-Q271 HydrophobicContact CD1-CG 3.74Å; N164-Q271 PolarHBondContact ND2-NE2 3.22Å |
| 272 | S | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 79.2 Ų | 79.2 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -81.1 | 147.8 | -178.2 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | Y62 P166 M274 R276 | Y62-S272 WeakPolarHBondContact CD1-OG 3.38Å; P166-S272 VanDerWaalsContact O-CB 3.32Å; P166-S272 WeakPolarHBondContact O-CB 3.29Å; P166-S272 PolarHBondContact O-OG 3.43Å; S272-M274 PolarHBondContact O-N 2.84Å; S272-M274 WeakPolarHBondContact OG-CB 3.35Å; S272-M274 PolarHBondContact OG-N 2.98Å; S272-R276 WeakPolarHBondContact O-CD 3.42Å |
| 273 | M | 98.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 79.1 Ų | 79.1 | 15% | 0.153 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -75.3 | -6 | 170.1 | -64 | -173.1 | -170.7 | 0 | 0 | 113.7 | Y61 F275 R276 Q280 Y283 | Y61-M273 HydrophobicContact CD2-CB 4.38Å; Y61-M273 HydrophobicContact CD2-SD 4.32Å; Y61-M273 HydrophobicContact CE1-CB 4.5Å; Y61-M273 HydrophobicContact CE2-CB 4.29Å; Y61-M273 VanDerWaalsContact O-CB 3.27Å; Y61-M273 WeakPolarHBondContact O-CB 3.36Å; Y61-M273 VanDerWaalsContact O-CG 3.27Å; Y61-M273 WeakPolarHBondContact O-CG 3.44Å; Y61-M273 PolarHBondContact O-N 3.07Å; M273-F275 PolarHBondContact O-N 2.53Å; M273-R276 PolarHBondContact O-N 3.34Å; M273-Q280 HydrophobicContact CB-CG 4.21Å; M273-Q280 VanDerWaalsContact O-CG 3.28Å; M273-Q280 WeakPolarHBondContact O-CG 3.49Å; M273-Q280 PolarHBondContact O-NE2 3.35Å; M273-Y283 HydrophobicContact SD-CD2 4.47Å; M273-Y283 HydrophobicContact SD-CG 4.38Å |
| 274 | M | 98.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 85.2 Ų | 85.2 | 39% | 0.389 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -51.1 | -33.2 | -176.6 | -178.6 | 167.5 | 179.7 | 0 | 0 | 114.1 | P166 L167 S272 Q280 | P166-M274 HydrophobicContact CB-SD 4.2Å; P166-M274 WeakPolarHBondContact O-CB 3.21Å; L167-M274 HydrophobicContact CD2-CE 3.81Å; L167-M274 HydrophobicContact CD2-SD 3.68Å; L167-M274 HydrophobicContact CG-SD 4.47Å; S272-M274 PolarHBondContact O-N 2.84Å; S272-M274 WeakPolarHBondContact OG-CB 3.35Å; S272-M274 PolarHBondContact OG-N 2.98Å; M274-Q280 VanDerWaalsContact C-NE2 3.31Å; M274-Q280 PolarHBondContact O-NE2 2.72Å |
| 275 | F | 98.2 | Very high | 98.3 | Very high | 112 Ų | 112 | 84.9 Ų | 84.9 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -110.6 | 20.2 | 179.4 | -54.1 | -63.6 | 0 | 0 | 0 | 113.7 | L167 M273 P277 | L167-F275 HydrophobicContact CB-CE2 4.48Å; L167-F275 HydrophobicContact CD2-CE2 4.02Å; L167-F275 HydrophobicContact CD2-CZ 3.61Å; M273-F275 PolarHBondContact O-N 2.53Å; F275-P277 WeakPolarHBondContact O-CD 3.29Å |
| 276 | R | 98.4 | Very high | 98.4 | Very high | 42 Ų | 42 | 83.8 Ų | 83.8 | 16% | 0.158 | 42% | 0.415 | C | S | . | . | trans | -125.1 | 77.7 | -174.8 | -65.5 | 167 | 49.6 | -171.3 | -5 | 111.2 | S268 Q270 S272 M273 L278 S279 Q280 | S268-R276 WeakPolarHBondContact OG-CD 3.26Å; S268-R276 PolarHBondContact OG-NE 2.92Å; S268-R276 PolarHBondContact OG-NH1 2.91Å; Q270-R276 PolarHBondContact O-NH1 3.42Å; Q270-R276 VanDerWaalsContact O-NH1 3.1Å; Q270-R276 VanDerWaalsContact OE1-CG 3.24Å; S272-R276 WeakPolarHBondContact O-CD 3.42Å; M273-R276 PolarHBondContact O-N 3.34Å; R276-L278 VanDerWaalsContact C-N 3.31Å; R276-L278 PolarHBondContact O-N 2.98Å; R276-S279 PolarHBondContact NE-OG 2.74Å; R276-S279 VanDerWaalsContact NE-OG 3.15Å; R276-S279 PolarHBondContact NH2-OG 3.11Å; R276-S279 WeakPolarHBondContact O-CA 3.34Å; R276-S279 WeakPolarHBondContact O-CB 3.24Å; R276-S279 PolarHBondContact O-N 3.12Å; R276-Q280 PolarHBondContact O-N 3.06Å | ||
| 277 | P | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 83.1 Ų | 83.1 | 61% | 0.61 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -54.1 | -41.6 | -172.3 | -27.7 | 35 | 0 | 0 | 0 | 114.4 | F275 S279 Q280 S281 | F275-P277 WeakPolarHBondContact O-CD 3.29Å; P277-S279 VanDerWaalsContact C-N 3.33Å; P277-S279 PolarHBondContact O-N 2.88Å; P277-Q280 WeakPolarHBondContact O-CB 2.97Å; P277-Q280 PolarHBondContact O-N 3.24Å; P277-S281 PolarHBondContact O-N 3.4Å |
| 278 | L | 98.5 | Very high | 98.4 | Very high | 140 Ų | 140 | 76.8 Ų | 76.8 | 73% | 0.733 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.1 | -35 | 176.6 | -63.6 | 177.3 | 0 | 0 | 0 | 112.7 | R276 S281 L282 | R276-L278 VanDerWaalsContact C-N 3.31Å; R276-L278 PolarHBondContact O-N 2.98Å; L278-S281 PolarHBondContact O-OG 2.96Å; L278-L282 VanDerWaalsContact O-CG 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.06Å; L278-L282 PolarHBondContact O-N 2.89Å |
| 279 | S | 98.4 | Very high | 98.5 | Very high | 26 Ų | 26 | 78.7 Ų | 78.7 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.9 | -33.4 | 175.4 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | R276 P277 L282 Y283 | R276-S279 PolarHBondContact NE-OG 2.74Å; R276-S279 VanDerWaalsContact NE-OG 3.15Å; R276-S279 PolarHBondContact NH2-OG 3.11Å; R276-S279 WeakPolarHBondContact O-CA 3.34Å; R276-S279 WeakPolarHBondContact O-CB 3.24Å; R276-S279 PolarHBondContact O-N 3.12Å; P277-S279 VanDerWaalsContact C-N 3.33Å; P277-S279 PolarHBondContact O-N 2.88Å; S279-L282 PolarHBondContact O-N 3.39Å; S279-Y283 WeakPolarHBondContact O-CB 3.36Å; S279-Y283 PolarHBondContact O-N 3.39Å |
| 280 | Q | 98.7 | Very high | 98.5 | Very high | 50 Ų | 50 | 71.7 Ų | 71.7 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.3 | -63.9 | 178.3 | 19.4 | 0 | 0 | 111.6 | Y61 M273 M274 R276 P277 L282 Y283 W284 | Y61-Q280 HydrophobicContact CE2-CB 4.49Å; Y61-Q280 HydrophobicContact CE2-CG 4.1Å; Y61-Q280 VanDerWaalsContact OH-CD 3.31Å; Y61-Q280 WeakPolarHBondContact OH-CG 3.35Å; M273-Q280 HydrophobicContact CB-CG 4.21Å; M273-Q280 VanDerWaalsContact O-CG 3.28Å; M273-Q280 WeakPolarHBondContact O-CG 3.49Å; M273-Q280 PolarHBondContact O-NE2 3.35Å; M274-Q280 VanDerWaalsContact C-NE2 3.31Å; M274-Q280 PolarHBondContact O-NE2 2.72Å; R276-Q280 PolarHBondContact O-N 3.06Å; P277-Q280 WeakPolarHBondContact O-CB 2.97Å; P277-Q280 PolarHBondContact O-N 3.24Å; Q280-L282 PolarHBondContact O-N 3.19Å; Q280-Y283 PolarHBondContact O-N 3.39Å; Q280-W284 PolarHBondContact O-N 2.82Å |
| 281 | S | 98.6 | Very high | 98.5 | Very high | 69 Ų | 69 | 73.3 Ų | 73.3 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 178 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | P277 L278 W284 L285 | P277-S281 PolarHBondContact O-N 3.4Å; L278-S281 PolarHBondContact O-OG 2.96Å; S281-W284 PolarHBondContact O-N 3.34Å; S281-L285 WeakPolarHBondContact O-CB 3.32Å; S281-L285 PolarHBondContact O-N 2.76Å |
| 282 | L | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 76.1 Ų | 76.1 | 59% | 0.586 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.5 | -36.8 | 175.3 | -69.3 | 174.5 | 0 | 0 | 0 | 112.9 | L278 S279 Q280 L285 L286 | L278-L282 VanDerWaalsContact O-CG 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.06Å; L278-L282 PolarHBondContact O-N 2.89Å; S279-L282 PolarHBondContact O-N 3.39Å; Q280-L282 PolarHBondContact O-N 3.19Å; L282-L285 HydrophobicContact CD2-CD2 4.43Å; L282-L285 PolarHBondContact O-N 3.05Å; L282-L286 PolarHBondContact O-N 2.72Å |
| 283 | Y | 98.8 | Very high | 98.6 | Very high | 38 Ų | 38 | 77.4 Ų | 77.4 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 174 | 170.4 | -89.6 | 0 | 0 | 0 | 111.6 | G57 L60 Y61 M273 S279 Q280 L285 L286 A287 | G57-Y283 WeakPolarHBondContact CA-OH 3.36Å; G57-Y283 PolarHBondContact O-OH 3.08Å; L60-Y283 HydrophobicContact CB-CE2 4.14Å; Y61-Y283 AromaticContact CD2-CD1 3.46Å; Y61-Y283 HydrophobicContact CD2-CD1 3.46Å; Y61-Y283 VanDerWaalsContact CD2-CD1 3.46Å; Y61-Y283 HydrophobicContact CD2-CD2 4.05Å; Y61-Y283 AromaticContact CD2-CE1 3.64Å; Y61-Y283 HydrophobicContact CD2-CE1 3.64Å; Y61-Y283 HydrophobicContact CD2-CE2 4.2Å; Y61-Y283 AromaticContact CD2-CG 3.68Å; Y61-Y283 HydrophobicContact CD2-CG 3.68Å; Y61-Y283 AromaticContact CE2-CD1 3.95Å; Y61-Y283 HydrophobicContact CE2-CD1 3.95Å; Y61-Y283 HydrophobicContact CE2-CE1 4.34Å; Y61-Y283 HydrophobicContact CE2-CG 4.35Å; Y61-Y283 HydrophobicContact CG-CE1 4.45Å; M273-Y283 HydrophobicContact SD-CD2 4.47Å; M273-Y283 HydrophobicContact SD-CG 4.38Å; S279-Y283 WeakPolarHBondContact O-CB 3.36Å; S279-Y283 PolarHBondContact O-N 3.39Å; Q280-Y283 PolarHBondContact O-N 3.39Å; Y283-L285 VanDerWaalsContact C-N 3.32Å; Y283-L286 WeakPolarHBondContact O-CB 3.32Å; Y283-L286 PolarHBondContact O-N 3.05Å; Y283-A287 PolarHBondContact O-N 3.5Å |
| 284 | W | 98.7 | Very high | 98.6 | Very high | 155 Ų | 155 | 77.9 Ų | 77.9 | 59% | 0.587 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.2 | -31.1 | 178.4 | -70.6 | 118.2 | 0 | 0 | 0 | 112.5 | Q280 S281 A287 A288 | Q280-W284 PolarHBondContact O-N 2.82Å; S281-W284 PolarHBondContact O-N 3.34Å; W284-A287 HydrophobicContact CE3-CB 4.14Å; W284-A287 PolarHBondContact O-N 3.25Å; W284-A288 WeakPolarHBondContact O-CB 3.41Å; W284-A288 PolarHBondContact O-N 3.48Å |
| 285 | L | 98.8 | Very high | 98.5 | Very high | 115 Ų | 115 | 86.7 Ų | 86.7 | 60% | 0.602 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62 | -45 | 169.4 | -178.2 | 63.4 | 0 | 0 | 0 | 111.2 | S281 L282 Y283 A287 A288 D289 | S281-L285 WeakPolarHBondContact O-CB 3.32Å; S281-L285 PolarHBondContact O-N 2.76Å; L282-L285 HydrophobicContact CD2-CD2 4.43Å; L282-L285 PolarHBondContact O-N 3.05Å; Y283-L285 VanDerWaalsContact C-N 3.32Å; L285-A287 VanDerWaalsContact C-N 3.35Å; L285-A287 PolarHBondContact O-N 2.93Å; L285-A288 PolarHBondContact O-N 3.27Å; L285-D289 WeakPolarHBondContact O-CB 3.26Å; L285-D289 PolarHBondContact O-N 2.84Å |
| 286 | L | 98.7 | Very high | 98.5 | Very high | 84 Ų | 84 | 85.4 Ų | 85.4 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 174.1 | 174.4 | 65.5 | 0 | 0 | 0 | 111.8 | L282 Y283 A288 D289 L290 | L282-L286 PolarHBondContact O-N 2.72Å; Y283-L286 WeakPolarHBondContact O-CB 3.32Å; Y283-L286 PolarHBondContact O-N 3.05Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 2.77Å; L286-D289 PolarHBondContact O-N 3.49Å; L286-L290 HydrophobicContact CG-CD1 4.48Å; L286-L290 WeakPolarHBondContact O-CG 3.32Å; L286-L290 PolarHBondContact O-N 3.46Å |
| 287 | A | 98.6 | Very high | 98.5 | Very high | 30 Ų | 30 | 87.7 Ų | 87.7 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y283 W284 L285 L290 L291 | Y283-A287 PolarHBondContact O-N 3.5Å; W284-A287 HydrophobicContact CE3-CB 4.14Å; W284-A287 PolarHBondContact O-N 3.25Å; L285-A287 VanDerWaalsContact C-N 3.35Å; L285-A287 PolarHBondContact O-N 2.93Å; A287-L290 PolarHBondContact O-N 2.7Å; A287-L291 WeakPolarHBondContact O-CG 3.43Å; A287-L291 PolarHBondContact O-N 3.27Å |
| 288 | A | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 87.3 Ų | 87.3 | 36% | 0.355 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W284 L285 L286 L291 I292 | W284-A288 WeakPolarHBondContact O-CB 3.41Å; W284-A288 PolarHBondContact O-N 3.48Å; L285-A288 PolarHBondContact O-N 3.27Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 2.77Å; A288-L291 WeakPolarHBondContact O-CB 3.4Å; A288-L291 PolarHBondContact O-N 2.91Å; A288-I292 WeakPolarHBondContact O-CG1 3.35Å; A288-I292 PolarHBondContact O-N 3.42Å |
| 289 | D | 98.8 | Very high | 98.5 | Very high | 77 Ų | 77 | 84.2 Ų | 84.2 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.9 | -173.3 | 62.7 | 0 | 0 | 0 | 111.8 | L285 L286 L291 I292 L293 | L285-D289 WeakPolarHBondContact O-CB 3.26Å; L285-D289 PolarHBondContact O-N 2.84Å; L286-D289 PolarHBondContact O-N 3.49Å; D289-L291 VanDerWaalsContact C-N 3.29Å; D289-L291 PolarHBondContact O-N 3.05Å; D289-I292 CarbonylContact O-C 3.55Å; D289-I292 PolarHBondContact O-N 3.27Å; D289-I292 VanDerWaalsContact O-N 3.11Å; D289-L293 WeakPolarHBondContact O-CG 3.44Å; D289-L293 PolarHBondContact O-N 3.48Å |
| 290 | L | 98.7 | Very high | 98.5 | Very high | 70 Ų | 70 | 87.9 Ų | 87.9 | 37% | 0.366 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.1 | -35 | 173.9 | -72 | 171.3 | 0 | 0 | 0 | 112.9 | F234 L286 A287 L293 T294 | F234-L290 HydrophobicContact CB-CD2 4.48Å; F234-L290 HydrophobicContact CD2-CD2 3.88Å; F234-L290 HydrophobicContact CG-CD2 4.36Å; L286-L290 HydrophobicContact CG-CD1 4.48Å; L286-L290 WeakPolarHBondContact O-CG 3.32Å; L286-L290 PolarHBondContact O-N 3.46Å; A287-L290 PolarHBondContact O-N 2.7Å; L290-L293 HydrophobicContact CD2-CD1 4.42Å; L290-T294 WeakPolarHBondContact O-CB 3.39Å; L290-T294 PolarHBondContact O-N 3.41Å; L290-T294 VanDerWaalsContact O-N 3.09Å; L290-T294 PolarHBondContact O-OG1 3.39Å |
| 291 | L | 98.4 | Very high | 98.5 | Very high | 125 Ų | 125 | 90.4 Ų | 90.4 | 65% | 0.654 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.8 | -39.7 | 173 | -69.1 | 172.5 | 0 | 0 | 0 | 111.6 | A287 A288 D289 T294 W295 | A287-L291 WeakPolarHBondContact O-CG 3.43Å; A287-L291 PolarHBondContact O-N 3.27Å; A288-L291 WeakPolarHBondContact O-CB 3.4Å; A288-L291 PolarHBondContact O-N 2.91Å; D289-L291 VanDerWaalsContact C-N 3.29Å; D289-L291 PolarHBondContact O-N 3.05Å; L291-T294 WeakPolarHBondContact O-CB 3.31Å; L291-T294 PolarHBondContact O-N 3.01Å; L291-W295 PolarHBondContact O-N 3.05Å; L291-W295 VanDerWaalsContact O-N 3.1Å |
| 292 | I | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 91.9 Ų | 91.9 | 53% | 0.533 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 175 | -68 | 166.8 | 0 | 0 | 0 | 110.9 | A288 D289 T294 W295 | A288-I292 WeakPolarHBondContact O-CG1 3.35Å; A288-I292 PolarHBondContact O-N 3.42Å; D289-I292 CarbonylContact O-C 3.55Å; D289-I292 PolarHBondContact O-N 3.27Å; D289-I292 VanDerWaalsContact O-N 3.11Å; I292-T294 PolarHBondContact O-N 3.32Å; I292-W295 PolarHBondContact O-N 2.85Å |
| 293 | L | 98.5 | Very high | 98.5 | Very high | 29 Ų | 29 | 90.4 Ų | 90.4 | 15% | 0.152 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.2 | -26.9 | 175.7 | -71.7 | 170.5 | 0 | 0 | 0 | 112.5 | F234 T237 I238 D289 L290 | F234-L293 WeakPolarHBondContact CA-O 3.45Å; F234-L293 HydrophobicContact CB-CB 3.94Å; T237-L293 WeakPolarHBondContact CB-O 3.19Å; T237-L293 HydrophobicContact CG2-CD2 3.78Å; T237-L293 PolarHBondContact OG1-O 3.1Å; I238-L293 HydrophobicContact CD1-CD1 4.07Å; I238-L293 HydrophobicContact CG1-CD1 4.09Å; I238-L293 HydrophobicContact CG1-CD2 4.25Å; D289-L293 WeakPolarHBondContact O-CG 3.44Å; D289-L293 PolarHBondContact O-N 3.48Å; L290-L293 HydrophobicContact CD2-CD1 4.42Å |
| 294 | T | 98.5 | Very high | 98.5 | Very high | 41 Ų | 41 | 94.8 Ų | 94.8 | 25% | 0.252 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.7 | -30.3 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | L233 L290 L291 I292 | L233-T294 HydrophobicContact CB-CG2 4.12Å; L233-T294 HydrophobicContact CD1-CG2 4.34Å; L233-T294 WeakPolarHBondContact CD1-O 3.49Å; L290-T294 WeakPolarHBondContact O-CB 3.39Å; L290-T294 PolarHBondContact O-N 3.41Å; L290-T294 VanDerWaalsContact O-N 3.09Å; L290-T294 PolarHBondContact O-OG1 3.39Å; L291-T294 WeakPolarHBondContact O-CB 3.31Å; L291-T294 PolarHBondContact O-N 3.01Å; I292-T294 PolarHBondContact O-N 3.32Å |
| 295 | W | 97.1 | Very high | 98.5 | Very high | 264 Ų | 264 | 89.3 Ų | 89.3 | 100% | 1 | 46% | 0.456 | S | S | * | . | trans | -74 | 0 | -178.8 | 171.1 | 62 | 0 | 0 | 0 | 112.3 | L291 I292 | L291-W295 PolarHBondContact O-N 3.05Å; L291-W295 VanDerWaalsContact O-N 3.1Å; I292-W295 PolarHBondContact O-N 2.85Å |
Retrieved 295 of 295 residues in 635.1 ms
(Link to these results)