| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 64.5 | Low | 92 | Very high | 98 Ų | 98 | 25.4 Ų | 25.4 | 48% | 0.483 | 13% | 0.13 | S | C | . | . | 0 | 134.1 | 0 | -173.4 | 176 | -69.9 | 0 | 0 | 108.1 | Y5 A6 G318 F321 A322 | M1-Y5 HydrophobicContact CE-CE1 4.26Å; M1-Y5 HydrophobicContact CG-CD1 3.93Å; M1-Y5 HydrophobicContact SD-CD1 4.37Å; M1-A6 HydrophobicContact SD-CB 4.33Å; M1-G318 WeakPolarHBondContact CE-O 3.4Å; M1-G318 VanDerWaalsContact SD-CA 3.56Å; M1-F321 HydrophobicContact CE-CD1 3.84Å; M1-A322 HydrophobicContact CB-CB 4.47Å; M1-A322 VanDerWaalsContact CE-CA 3.47Å; M1-A322 HydrophobicContact CE-CB 3.24Å; M1-A322 HydrophobicContact SD-CB 4.03Å | |||
| 2 | T | 88.9 | Confident | 92 | Very high | 49 Ų | 49 | 26 Ų | 26 | 30% | 0.301 | 13% | 0.132 | S | C | . | . | trans | -101.2 | 156.9 | 179.8 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | V4 Y5 A6 V110 | T2-V4 VanDerWaalsContact C-N 3.26Å; T2-V4 PolarHBondContact O-N 2.78Å; T2-V4 WeakPolarHBondContact OG1-CG1 3.46Å; T2-Y5 PolarHBondContact O-N 3.3Å; T2-Y5 WeakPolarHBondContact OG1-CB 3.27Å; T2-Y5 PolarHBondContact OG1-N 3.28Å; T2-A6 PolarHBondContact O-N 3.05Å; T2-A6 VanDerWaalsContact O-N 3.09Å; T2-V110 WeakPolarHBondContact CB-O 3.22Å; T2-V110 HydrophobicContact CG2-CB 3.84Å; T2-V110 HydrophobicContact CG2-CG1 4.17Å | ||
| 3 | F | 95.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -34.2 | 177.4 | -62.7 | -35.3 | 0 | 0 | 0 | 111.8 | Y5 A6 S7 V110 D111 S112 F113 T264 F271 K273 F276 L277 A315 | F3-Y5 PolarHBondContact O-N 3.04Å; F3-A6 PolarHBondContact O-N 3.06Å; F3-S7 WeakPolarHBondContact O-CB 3.09Å; F3-S7 PolarHBondContact O-N 3.5Å; F3-S7 PolarHBondContact O-OG 3.09Å; F3-V110 PolarHBondContact N-O 2.85Å; F3-D111 HydrophobicContact CD2-CB 4.27Å; F3-S112 CarbonylContact C-O 3.41Å; F3-S112 VanDerWaalsContact CB-O 3.32Å; F3-S112 WeakPolarHBondContact CB-O 3.12Å; F3-F113 HydrophobicContact CB-CD1 3.98Å; F3-F113 HydrophobicContact CB-CD2 4.47Å; F3-F113 HydrophobicContact CB-CE1 3.66Å; F3-F113 HydrophobicContact CB-CE2 4.19Å; F3-F113 HydrophobicContact CB-CG 4.37Å; F3-F113 HydrophobicContact CB-CZ 3.77Å; F3-F113 HydrophobicContact CD1-CE1 4.05Å; F3-F113 AromaticContact CD1-CZ 3.89Å; F3-F113 HydrophobicContact CD1-CZ 3.89Å; F3-F113 HydrophobicContact CD2-CE2 4.15Å; F3-F113 AromaticContact CD2-CZ 3.93Å; F3-F113 HydrophobicContact CD2-CZ 3.93Å; F3-F113 HydrophobicContact CE1-CZ 4.5Å; F3-F113 AromaticContact CG-CE1 3.89Å; F3-F113 HydrophobicContact CG-CE1 3.89Å; F3-F113 HydrophobicContact CG-CE2 4.17Å; F3-F113 AromaticContact CG-CZ 3.6Å; F3-F113 HydrophobicContact CG-CZ 3.6Å; F3-T264 HydrophobicContact CD2-CG2 4.24Å; F3-T264 HydrophobicContact CE2-CG2 4.38Å; F3-F271 HydrophobicContact CE1-CZ 4.42Å; F3-F271 HydrophobicContact CE2-CE1 4.39Å; F3-F271 HydrophobicContact CE2-CZ 4.5Å; F3-F271 HydrophobicContact CZ-CE1 4.5Å; F3-F271 HydrophobicContact CZ-CZ 4.17Å; F3-K273 HydrophobicContact CE2-CB 3.68Å; F3-K273 HydrophobicContact CZ-CB 4.15Å; F3-F276 AromaticContact CE1-CD1 3.93Å; F3-F276 HydrophobicContact CE1-CD1 3.93Å; F3-F276 AromaticContact CE1-CE1 3.9Å; F3-F276 HydrophobicContact CE1-CE1 3.9Å; F3-F276 AromaticContact CZ-CD1 3.95Å; F3-F276 HydrophobicContact CZ-CD1 3.95Å; F3-F276 HydrophobicContact CZ-CE1 4.39Å; F3-L277 HydrophobicContact CE1-CD2 4.46Å; F3-L277 HydrophobicContact CZ-CD1 4.12Å; F3-L277 HydrophobicContact CZ-CD2 4.26Å; F3-L277 HydrophobicContact CZ-CG 4.14Å; F3-A315 HydrophobicContact CD1-CB 4.29Å; F3-A315 HydrophobicContact CE1-CB 4.02Å |
| 4 | V | 96.4 | Very high | 91.7 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 7% | 0.073 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 178 | 67 | 0 | 0 | 0 | 0 | 111.8 | T2 S7 W8 L34 T108 V110 S112 L114 | T2-V4 VanDerWaalsContact C-N 3.26Å; T2-V4 PolarHBondContact O-N 2.78Å; T2-V4 WeakPolarHBondContact OG1-CG1 3.46Å; V4-S7 WeakPolarHBondContact CA-OG 3.44Å; V4-S7 PolarHBondContact O-OG 3.02Å; V4-S7 VanDerWaalsContact O-OG 3.04Å; V4-W8 WeakPolarHBondContact O-CB 3.28Å; V4-W8 PolarHBondContact O-N 3.33Å; V4-L34 HydrophobicContact CG2-CD1 4.26Å; V4-T108 HydrophobicContact CG2-CG2 4.1Å; V4-V110 PolarHBondContact N-O 3.02Å; V4-S112 WeakPolarHBondContact CA-O 3.49Å; V4-S112 PolarHBondContact N-O 3.23Å; V4-L114 HydrophobicContact CG2-CG 4.34Å |
| 5 | Y | 95.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -44.9 | 174.7 | 170.4 | -86.8 | 0 | 0 | 0 | 111.1 | M1 T2 F3 S7 W8 K9 L34 P47 D49 F321 | M1-Y5 HydrophobicContact CE-CE1 4.26Å; M1-Y5 HydrophobicContact CG-CD1 3.93Å; M1-Y5 HydrophobicContact SD-CD1 4.37Å; T2-Y5 PolarHBondContact O-N 3.3Å; T2-Y5 WeakPolarHBondContact OG1-CB 3.27Å; T2-Y5 PolarHBondContact OG1-N 3.28Å; F3-Y5 PolarHBondContact O-N 3.04Å; Y5-S7 VanDerWaalsContact C-N 3.35Å; Y5-S7 PolarHBondContact O-N 3.25Å; Y5-W8 HydrophobicContact CD2-CE3 4.34Å; Y5-W8 HydrophobicContact CE2-CE3 4.35Å; Y5-W8 HydrophobicContact CE2-CZ3 4.26Å; Y5-W8 PolarHBondContact O-N 3.25Å; Y5-K9 HydrophobicContact CE1-CB 4.32Å; Y5-K9 VanDerWaalsContact O-CB 3.28Å; Y5-K9 WeakPolarHBondContact O-CB 3.26Å; Y5-K9 PolarHBondContact O-N 3.22Å; Y5-L34 HydrophobicContact CD2-CD2 3.95Å; Y5-L34 HydrophobicContact CG-CD2 4.49Å; Y5-P47 HydrophobicContact CD1-CG 3.72Å; Y5-P47 HydrophobicContact CD2-CB 4.38Å; Y5-P47 HydrophobicContact CD2-CG 3.81Å; Y5-P47 HydrophobicContact CE1-CB 3.89Å; Y5-P47 HydrophobicContact CE1-CG 3.49Å; Y5-P47 VanDerWaalsContact CE1-CG 3.49Å; Y5-P47 HydrophobicContact CE2-CB 3.64Å; Y5-P47 HydrophobicContact CE2-CG 3.57Å; Y5-P47 HydrophobicContact CG-CG 3.88Å; Y5-P47 VanDerWaalsContact CZ-CG 3.4Å; Y5-P47 WeakPolarHBondContact OH-CB 3.34Å; Y5-D49 PolarHBondContact OH-OD1 2.8Å; Y5-D49 PolarHBondContact OH-OD2 2.95Å; Y5-F321 HydrophobicContact CE1-CE1 4.47Å |
| 6 | A | 95.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 T2 F3 L10 V314 | M1-A6 HydrophobicContact SD-CB 4.33Å; T2-A6 PolarHBondContact O-N 3.05Å; T2-A6 VanDerWaalsContact O-N 3.09Å; F3-A6 PolarHBondContact O-N 3.06Å; A6-L10 WeakPolarHBondContact O-CB 3.34Å; A6-L10 PolarHBondContact O-N 2.92Å; A6-V314 HydrophobicContact CB-CG1 3.8Å |
| 7 | S | 97.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.8 | -47.8 | 175.5 | 47 | 0 | 0 | 0 | 0 | 112.1 | F3 V4 Y5 K9 L10 I11 F113 L114 V314 | F3-S7 WeakPolarHBondContact O-CB 3.09Å; F3-S7 PolarHBondContact O-N 3.5Å; F3-S7 PolarHBondContact O-OG 3.09Å; V4-S7 WeakPolarHBondContact CA-OG 3.44Å; V4-S7 PolarHBondContact O-OG 3.02Å; V4-S7 VanDerWaalsContact O-OG 3.04Å; Y5-S7 VanDerWaalsContact C-N 3.35Å; Y5-S7 PolarHBondContact O-N 3.25Å; S7-K9 VanDerWaalsContact C-N 3.28Å; S7-K9 PolarHBondContact O-N 3.27Å; S7-L10 PolarHBondContact O-N 3.35Å; S7-I11 WeakPolarHBondContact O-CG1 3.44Å; S7-I11 WeakPolarHBondContact O-CG2 3.44Å; S7-I11 PolarHBondContact O-N 2.85Å; S7-F113 WeakPolarHBondContact OG-CA 3.47Å; S7-L114 WeakPolarHBondContact CB-O 3.37Å; S7-L114 PolarHBondContact OG-N 2.88Å; S7-V314 VanDerWaalsContact N-CG1 3.32Å |
| 8 | W | 96.6 | Very high | 90 | Very high | 12 Ų | 12 | 33 Ų | 33 | 5% | 0.045 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.6 | -47.4 | 175.2 | 173.6 | 81.8 | 0 | 0 | 0 | 111.3 | V4 Y5 L10 I11 Q12 V32 L34 C69 L114 | V4-W8 WeakPolarHBondContact O-CB 3.28Å; V4-W8 PolarHBondContact O-N 3.33Å; Y5-W8 HydrophobicContact CD2-CE3 4.34Å; Y5-W8 HydrophobicContact CE2-CE3 4.35Å; Y5-W8 HydrophobicContact CE2-CZ3 4.26Å; Y5-W8 PolarHBondContact O-N 3.25Å; W8-L10 PolarHBondContact O-N 3.37Å; W8-I11 WeakPolarHBondContact O-CG1 3.41Å; W8-I11 PolarHBondContact O-N 3.2Å; W8-Q12 HydrophobicContact CD2-CG 4.24Å; W8-Q12 HydrophobicContact CZ2-CG 3.99Å; W8-Q12 VanDerWaalsContact O-CG 3.23Å; W8-Q12 WeakPolarHBondContact O-CG 3.44Å; W8-Q12 PolarHBondContact O-N 3.42Å; W8-Q12 VanDerWaalsContact O-N 3.07Å; W8-V32 PolarHBondContact NE1-O 3.09Å; W8-L34 HydrophobicContact CB-CD2 4.23Å; W8-L34 HydrophobicContact CD2-CB 3.78Å; W8-L34 HydrophobicContact CD2-CD2 4.16Å; W8-L34 HydrophobicContact CE3-CB 4.36Å; W8-L34 HydrophobicContact CE3-CD2 4.17Å; W8-L34 HydrophobicContact CG-CB 3.89Å; W8-L34 HydrophobicContact CG-CD2 4.18Å; W8-L34 HydrophobicContact CZ2-CB 4.44Å; W8-C69 HydrophobicContact CE3-CB 4.46Å; W8-C69 HydrophobicContact CH2-CB 3.83Å; W8-C69 VanDerWaalsContact CH2-N 3.26Å; W8-C69 HydrophobicContact CZ2-CB 4.48Å; W8-C69 HydrophobicContact CZ3-CB 3.81Å; W8-L114 HydrophobicContact CB-CD1 4.19Å |
| 9 | K | 94.3 | Very high | 89.2 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 179.8 | -176.6 | 54.9 | 174.4 | 148.7 | 0 | 111.5 | Y5 S7 Q12 D13 | Y5-K9 HydrophobicContact CE1-CB 4.32Å; Y5-K9 VanDerWaalsContact O-CB 3.28Å; Y5-K9 WeakPolarHBondContact O-CB 3.26Å; Y5-K9 PolarHBondContact O-N 3.22Å; S7-K9 VanDerWaalsContact C-N 3.28Å; S7-K9 PolarHBondContact O-N 3.27Å; K9-Q12 PolarHBondContact O-N 3.17Å; K9-D13 WeakPolarHBondContact CE-OD2 3.32Å; K9-D13 VanDerWaalsContact NZ-CG 3.31Å; K9-D13 IonicContact NZ-OD1 3.7Å; K9-D13 PolarHBondContact NZ-OD1 3.38Å; K9-D13 IonicContact NZ-OD2 3.96Å; K9-D13 PolarHBondContact NZ-OD2 3.1Å; K9-D13 WeakPolarHBondContact O-CB 3.34Å; K9-D13 PolarHBondContact O-N 3.25Å |
| 10 | L | 93.8 | Very high | 88.3 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.141 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 178.1 | -174.5 | 72.2 | 0 | 0 | 0 | 111.6 | A6 S7 W8 Q12 D13 Q14 Y310 V314 | A6-L10 WeakPolarHBondContact O-CB 3.34Å; A6-L10 PolarHBondContact O-N 2.92Å; S7-L10 PolarHBondContact O-N 3.35Å; W8-L10 PolarHBondContact O-N 3.37Å; L10-Q12 VanDerWaalsContact C-N 3.26Å; L10-Q12 PolarHBondContact O-N 2.87Å; L10-D13 PolarHBondContact O-N 3.31Å; L10-Q14 HydrophobicContact CD1-CG 4.32Å; L10-Q14 WeakPolarHBondContact O-CB 3.37Å; L10-Q14 PolarHBondContact O-N 3.31Å; L10-Y310 HydrophobicContact CD2-CE2 4.12Å; L10-V314 HydrophobicContact CD2-CG2 3.53Å |
| 11 | I | 94 | Very high | 87.3 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -32.2 | -177.5 | 67.1 | 173.3 | 0 | 0 | 0 | 111.9 | S7 W8 Q14 A15 L114 P116 I118 F119 Y310 | S7-I11 WeakPolarHBondContact O-CG1 3.44Å; S7-I11 WeakPolarHBondContact O-CG2 3.44Å; S7-I11 PolarHBondContact O-N 2.85Å; W8-I11 WeakPolarHBondContact O-CG1 3.41Å; W8-I11 PolarHBondContact O-N 3.2Å; I11-Q14 CarbonylContact O-C 3.53Å; I11-A15 WeakPolarHBondContact O-CA 3.43Å; I11-A15 PolarHBondContact O-N 3.15Å; I11-L114 HydrophobicContact CD1-CB 4.01Å; I11-P116 HydrophobicContact CG2-CG 4.01Å; I11-I118 HydrophobicContact CD1-CG2 3.78Å; I11-F119 HydrophobicContact CB-CE2 3.93Å; I11-F119 HydrophobicContact CB-CZ 4.12Å; I11-F119 HydrophobicContact CD1-CE2 4.48Å; I11-F119 HydrophobicContact CD1-CZ 4.2Å; I11-F119 HydrophobicContact CG1-CE2 4.31Å; I11-F119 HydrophobicContact CG1-CZ 4.02Å; I11-F119 VanDerWaalsContact O-CE2 3.27Å; I11-F119 WeakPolarHBondContact O-CE2 3.18Å; I11-F119 WeakPolarHBondContact O-CZ 3.28Å; I11-Y310 WeakPolarHBondContact CG2-OH 3.08Å |
| 12 | Q | 92.4 | Very high | 87.1 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.3 | -44.5 | 175.7 | -67.3 | -59.5 | -10.5 | 0 | 0 | 112 | W8 K9 L10 Q14 A15 V32 P67 | W8-Q12 HydrophobicContact CD2-CG 4.24Å; W8-Q12 HydrophobicContact CZ2-CG 3.99Å; W8-Q12 VanDerWaalsContact O-CG 3.23Å; W8-Q12 WeakPolarHBondContact O-CG 3.44Å; W8-Q12 PolarHBondContact O-N 3.42Å; W8-Q12 VanDerWaalsContact O-N 3.07Å; K9-Q12 PolarHBondContact O-N 3.17Å; L10-Q12 VanDerWaalsContact C-N 3.26Å; L10-Q12 PolarHBondContact O-N 2.87Å; Q12-Q14 PolarHBondContact O-N 2.85Å; Q12-A15 WeakPolarHBondContact O-CB 3.35Å; Q12-A15 PolarHBondContact O-N 3.46Å; Q12-V32 PolarHBondContact NE2-O 3.14Å; Q12-P67 HydrophobicContact CG-CB 4.45Å |
| 13 | D | 89.9 | Confident | 85.8 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.5 | -28.3 | 178.5 | -69.2 | -15.3 | 0 | 0 | 0 | 111.6 | K9 L10 | K9-D13 WeakPolarHBondContact CE-OD2 3.32Å; K9-D13 VanDerWaalsContact NZ-CG 3.31Å; K9-D13 IonicContact NZ-OD1 3.7Å; K9-D13 PolarHBondContact NZ-OD1 3.38Å; K9-D13 IonicContact NZ-OD2 3.96Å; K9-D13 PolarHBondContact NZ-OD2 3.1Å; K9-D13 WeakPolarHBondContact O-CB 3.34Å; K9-D13 PolarHBondContact O-N 3.25Å; L10-D13 PolarHBondContact O-N 3.31Å |
| 14 | Q | 89.3 | Confident | 84.4 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 15.9 | 176.3 | -65.5 | -175.8 | -41.6 | 0 | 0 | 113.8 | L10 I11 Q12 F16 E17 K300 | L10-Q14 HydrophobicContact CD1-CG 4.32Å; L10-Q14 WeakPolarHBondContact O-CB 3.37Å; L10-Q14 PolarHBondContact O-N 3.31Å; I11-Q14 CarbonylContact O-C 3.53Å; Q12-Q14 PolarHBondContact O-N 2.85Å; Q14-F16 HydrophobicContact CB-CE1 4.37Å; Q14-F16 HydrophobicContact CG-CE1 4.39Å; Q14-F16 PolarHBondContact O-N 2.68Å; Q14-E17 HydrophobicContact CB-CG 4.17Å; Q14-E17 PolarHBondContact NE2-OE1 3.49Å; Q14-E17 VanDerWaalsContact NE2-OE1 3.14Å; Q14-E17 VanDerWaalsContact O-CB 3.29Å; Q14-E17 WeakPolarHBondContact O-CB 3.36Å; Q14-E17 WeakPolarHBondContact O-CG 3.21Å; Q14-E17 PolarHBondContact O-N 3Å; Q14-K300 PolarHBondContact NE2-O 2.97Å |
| 15 | A | 87.2 | Confident | 82.7 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I11 Q12 E17 Q18 F119 | I11-A15 WeakPolarHBondContact O-CA 3.43Å; I11-A15 PolarHBondContact O-N 3.15Å; Q12-A15 WeakPolarHBondContact O-CB 3.35Å; Q12-A15 PolarHBondContact O-N 3.46Å; A15-E17 PolarHBondContact O-N 3.27Å; A15-Q18 WeakPolarHBondContact O-CB 3.39Å; A15-Q18 PolarHBondContact O-N 3.06Å; A15-Q18 VanDerWaalsContact O-N 3.1Å; A15-F119 HydrophobicContact CB-CE2 4.23Å; A15-F119 HydrophobicContact CB-CZ 4.16Å |
| 16 | F | 83.5 | Confident | 81.2 | Confident | 125 Ų | 125 | 63.7 Ų | 63.7 | 55% | 0.548 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.4 | -29.5 | 173.4 | 74.6 | -92 | 0 | 0 | 0 | 113 | Q14 Q18 Y19 | Q14-F16 HydrophobicContact CB-CE1 4.37Å; Q14-F16 HydrophobicContact CG-CE1 4.39Å; Q14-F16 PolarHBondContact O-N 2.68Å; F16-Q18 PolarHBondContact O-N 3.19Å; F16-Y19 PolarHBondContact O-N 3.34Å; F16-Y19 VanDerWaalsContact O-N 3.08Å |
| 17 | E | 85 | Confident | 79.9 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.056 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.7 | -25 | 178 | -65.1 | -175.8 | -169.8 | 0 | 0 | 112 | Q14 A15 Y19 L20 A302 | Q14-E17 HydrophobicContact CB-CG 4.17Å; Q14-E17 PolarHBondContact NE2-OE1 3.49Å; Q14-E17 VanDerWaalsContact NE2-OE1 3.14Å; Q14-E17 VanDerWaalsContact O-CB 3.29Å; Q14-E17 WeakPolarHBondContact O-CB 3.36Å; Q14-E17 WeakPolarHBondContact O-CG 3.21Å; Q14-E17 PolarHBondContact O-N 3Å; A15-E17 PolarHBondContact O-N 3.27Å; E17-Y19 VanDerWaalsContact C-N 3.31Å; E17-Y19 PolarHBondContact O-N 2.61Å; E17-L20 WeakPolarHBondContact O-CB 3.42Å; E17-L20 PolarHBondContact O-N 3.01Å; E17-A302 PolarHBondContact OE2-N 3.29Å; E17-A302 VanDerWaalsContact OE2-N 3.07Å |
| 18 | Q | 80.3 | Confident | 79 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71 | -29 | 178.1 | -56.3 | -42.5 | -74.2 | 0 | 0 | 112.1 | A15 F16 L20 Q21 L23 L29 F119 H120 | A15-Q18 WeakPolarHBondContact O-CB 3.39Å; A15-Q18 PolarHBondContact O-N 3.06Å; A15-Q18 VanDerWaalsContact O-N 3.1Å; F16-Q18 PolarHBondContact O-N 3.19Å; Q18-L20 VanDerWaalsContact C-N 3.27Å; Q18-L20 PolarHBondContact O-N 2.98Å; Q18-Q21 WeakPolarHBondContact O-CB 3.33Å; Q18-Q21 PolarHBondContact O-N 3.4Å; Q18-L23 WeakPolarHBondContact O-CD1 3.3Å; Q18-L29 HydrophobicContact CB-CD1 4.09Å; Q18-L29 HydrophobicContact CB-CD2 4.24Å; Q18-F119 HydrophobicContact CG-CB 4.24Å; Q18-F119 HydrophobicContact CG-CD2 3.51Å; Q18-F119 HydrophobicContact CG-CE2 4.22Å; Q18-F119 HydrophobicContact CG-CG 4.22Å; Q18-H120 PolarHBondContact OE1-CD2 2.81Å; Q18-H120 PolarHBondContact OE1-NE2 3.05Å |
| 19 | Y | 74.9 | Confident | 78.6 | Confident | 164 Ų | 164 | 77.7 Ų | 77.7 | 64% | 0.643 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -77.9 | -13.9 | 176.7 | -60.3 | -86.9 | 0 | 0 | 0 | 113.1 | F16 E17 L29 | F16-Y19 PolarHBondContact O-N 3.34Å; F16-Y19 VanDerWaalsContact O-N 3.08Å; E17-Y19 VanDerWaalsContact C-N 3.31Å; E17-Y19 PolarHBondContact O-N 2.61Å; Y19-L29 HydrophobicContact CD2-CD1 4.48Å; Y19-L29 HydrophobicContact CE1-CD1 4.17Å; Y19-L29 HydrophobicContact CE2-CD1 3.77Å |
| 20 | L | 71.4 | Confident | 78.4 | Confident | 134 Ų | 134 | 78.4 Ų | 78.4 | 70% | 0.702 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17 | 172.1 | -60.9 | 176.4 | 0 | 0 | 0 | 111.8 | E17 Q18 | E17-L20 WeakPolarHBondContact O-CB 3.42Å; E17-L20 PolarHBondContact O-N 3.01Å; Q18-L20 VanDerWaalsContact C-N 3.27Å; Q18-L20 PolarHBondContact O-N 2.98Å |
| 21 | Q | 66.4 | Low | 78.3 | Confident | 66 Ų | 66 | 82.8 Ų | 82.8 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -77.8 | 139.4 | 171.2 | -56.4 | -175.2 | 23.9 | 0 | 0 | 108.7 | Q18 L23 | Q18-Q21 WeakPolarHBondContact O-CB 3.33Å; Q18-Q21 PolarHBondContact O-N 3.4Å; Q21-L23 VanDerWaalsContact C-N 3.29Å; Q21-L23 PolarHBondContact O-N 3.17Å |
| 22 | V | 60.6 | Low | 78.4 | Confident | 154 Ų | 154 | 83.5 Ų | 83.5 | 93% | 0.933 | 44% | 0.441 | S | S | * | . | trans | -67.6 | 91.3 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 23 | L | 63.1 | Low | 78.5 | Confident | 52 Ų | 52 | 83.1 Ų | 83.1 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | trans | -88.8 | 143.3 | -179.7 | -69.2 | 170.9 | 0 | 0 | 0 | 110.8 | Q18 Q21 A25 A27 L29 H120 | Q18-L23 WeakPolarHBondContact O-CD1 3.3Å; Q21-L23 VanDerWaalsContact C-N 3.29Å; Q21-L23 PolarHBondContact O-N 3.17Å; L23-A25 PolarHBondContact O-N 2.81Å; L23-A27 HydrophobicContact CB-CB 4.19Å; L23-A27 HydrophobicContact CD2-CB 4.4Å; L23-L29 HydrophobicContact CD1-CD2 4.18Å; L23-H120 WeakPolarHBondContact CD2-CE1 3.1Å | ||
| 24 | P | 64.7 | Low | 78.8 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | trans | -53.4 | 139.8 | 165.3 | -19.8 | 29.3 | 0 | 0 | 0 | 109.7 | N26 A27 | P24-N26 PolarHBondContact O-N 2.56Å; P24-A27 HydrophobicContact CB-CB 4.47Å; P24-A27 WeakPolarHBondContact O-CB 3.41Å; P24-A27 PolarHBondContact O-N 3.05Å | ||
| 25 | A | 60 | Low | 79.1 | Confident | 108 Ų | 108 | 80.1 Ų | 80.1 | 89% | 0.893 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -19.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L23 | L23-A25 PolarHBondContact O-N 2.81Š|
| 26 | N | 65.1 | Low | 79.6 | Confident | 152 Ų | 152 | 80.6 Ų | 80.6 | 81% | 0.813 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 3.7 | -179.5 | -62.2 | -15.7 | 0 | 0 | 0 | 113.9 | P24 R28 | P24-N26 PolarHBondContact O-N 2.56Å; N26-R28 PolarHBondContact O-N 3.08Å |
| 27 | A | 68 | Low | 80.1 | Confident | 45 Ų | 45 | 76.8 Ų | 76.8 | 37% | 0.372 | 41% | 0.409 | S | S | . | . | trans | -68.2 | 115.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L23 P24 | L23-A27 HydrophobicContact CB-CB 4.19Å; L23-A27 HydrophobicContact CD2-CB 4.4Å; P24-A27 HydrophobicContact CB-CB 4.47Å; P24-A27 WeakPolarHBondContact O-CB 3.41Å; P24-A27 PolarHBondContact O-N 3.05Å | ||
| 28 | R | 78.4 | Confident | 80.5 | Confident | 234 Ų | 234 | 76.8 Ų | 76.8 | 88% | 0.883 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -92 | 131.6 | 169.6 | -68.9 | -174.7 | 179.9 | 178.8 | 0.1 | 108.6 | N26 | N26-R28 PolarHBondContact O-N 3.08Š|
| 29 | L | 87.8 | Confident | 81.1 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 18% | 0.183 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 140.9 | 171.1 | -56.6 | -176.4 | 0 | 0 | 0 | 109.3 | Q18 Y19 L23 L31 F119 H120 | Q18-L29 HydrophobicContact CB-CD1 4.09Å; Q18-L29 HydrophobicContact CB-CD2 4.24Å; Y19-L29 HydrophobicContact CD2-CD1 4.48Å; Y19-L29 HydrophobicContact CE1-CD1 4.17Å; Y19-L29 HydrophobicContact CE2-CD1 3.77Å; L23-L29 HydrophobicContact CD1-CD2 4.18Å; L29-L31 PolarHBondContact O-N 3.47Å; L29-F119 WeakPolarHBondContact CA-O 3.42Å; L29-F119 HydrophobicContact CB-CB 4.48Å; L29-F119 HydrophobicContact CD2-CB 4.31Å; L29-H120 WeakPolarHBondContact CD2-CE1 3.17Å |
| 30 | N | 91.6 | Very high | 81.9 | Confident | 63 Ų | 63 | 77.4 Ų | 77.4 | 34% | 0.337 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 134.5 | 170.4 | -64.1 | -37.7 | 0 | 0 | 0 | 109.8 | V32 I118 F119 F121 | N30-V32 HydrophobicContact CB-CG2 4.27Å; N30-I118 PolarHBondContact ND2-O 3.46Å; N30-F119 PolarHBondContact N-O 2.88Å; N30-F119 PolarHBondContact ND2-O 3.2Å; N30-F119 WeakPolarHBondContact O-CD1 3.34Å; N30-F121 PolarHBondContact ND2-O 2.97Å |
| 31 | L | 91.8 | Very high | 82.8 | Confident | 118 Ų | 118 | 74.3 Ų | 74.3 | 62% | 0.618 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 126 | 167.3 | -64.1 | 175.8 | 0 | 0 | 0 | 108.2 | L29 P67 | L29-L31 PolarHBondContact O-N 3.47Å; L31-P67 HydrophobicContact CD2-CG 3.97Å |
| 32 | V | 94.8 | Very high | 84 | Confident | 18 Ų | 18 | 73 Ų | 73 | 11% | 0.109 | 42% | 0.419 | C | S | . | . | trans | -122.6 | 99.6 | -171.3 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | W8 Q12 N30 I118 F119 | W8-V32 PolarHBondContact NE1-O 3.09Å; Q12-V32 PolarHBondContact NE2-O 3.14Å; N30-V32 HydrophobicContact CB-CG2 4.27Å; V32-I118 HydrophobicContact CG1-CD1 4.07Å; V32-I118 HydrophobicContact CG2-CD1 4.4Å; V32-I118 HydrophobicContact CG2-CG1 4.21Å; V32-I118 HydrophobicContact CG2-CG2 4.05Å; V32-F119 HydrophobicContact CG2-CD1 4.14Å; V32-F119 HydrophobicContact CG2-CE1 4.17Å | ||
| 33 | D | 95 | Very high | 85.5 | Confident | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.128 | 38% | 0.377 | C | S | . | . | trans | -83.4 | 154.6 | 170.9 | -59.5 | -59.7 | 0 | 0 | 0 | 112.2 | L35 R65 P67 A68 Y102 | D33-L35 HydrophobicContact CB-CD2 4.46Å; D33-R65 IonicContact OD1-CZ 2.96Å; D33-R65 IonicContact OD1-NE 3.58Å; D33-R65 IonicContact OD1-NH1 3.08Å; D33-R65 PolarHBondContact OD1-NH1 3.5Å; D33-R65 VanDerWaalsContact OD1-NH1 3.08Å; D33-R65 IonicContact OD1-NH2 3.05Å; D33-R65 PolarHBondContact OD1-NH2 2.85Å; D33-R65 IonicContact OD2-CZ 3.11Å; D33-R65 IonicContact OD2-NE 3.42Å; D33-R65 PolarHBondContact OD2-NE 2.83Å; D33-R65 IonicContact OD2-NH1 3.97Å; D33-R65 IonicContact OD2-NH2 2.56Å; D33-R65 PolarHBondContact OD2-NH2 3.39Å; D33-P67 WeakPolarHBondContact OD1-CA 3.44Å; D33-A68 WeakPolarHBondContact CA-O 3.19Å; D33-A68 WeakPolarHBondContact CB-O 3.47Å; D33-A68 PolarHBondContact OD1-N 2.9Å; D33-Y102 HydrophobicContact CB-CE1 4.05Å; D33-Y102 WeakPolarHBondContact CB-OH 3.35Å; D33-Y102 WeakPolarHBondContact OD2-CE1 3.42Å; D33-Y102 PolarHBondContact OD2-OH 3.48Å | ||
| 34 | L | 96.4 | Very high | 86.7 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 111.1 | 169.6 | -177.6 | 61.8 | 0 | 0 | 0 | 109.5 | V4 Y5 W8 V36 A68 C69 Y70 | V4-L34 HydrophobicContact CG2-CD1 4.26Å; Y5-L34 HydrophobicContact CD2-CD2 3.95Å; Y5-L34 HydrophobicContact CG-CD2 4.49Å; W8-L34 HydrophobicContact CB-CD2 4.23Å; W8-L34 HydrophobicContact CD2-CB 3.78Å; W8-L34 HydrophobicContact CD2-CD2 4.16Å; W8-L34 HydrophobicContact CE3-CB 4.36Å; W8-L34 HydrophobicContact CE3-CD2 4.17Å; W8-L34 HydrophobicContact CG-CB 3.89Å; W8-L34 HydrophobicContact CG-CD2 4.18Å; W8-L34 HydrophobicContact CZ2-CB 4.44Å; L34-V36 HydrophobicContact CD2-CG2 4.26Å; L34-V36 HydrophobicContact CG-CG2 3.92Å; L34-A68 PolarHBondContact N-O 3.39Å; L34-C69 HydrophobicContact CB-CB 4.27Å; L34-C69 CarbonylContact O-C 3.51Å; L34-C69 WeakPolarHBondContact O-CA 3.41Å; L34-Y70 PolarHBondContact O-N 2.81Å |
| 35 | L | 96 | Very high | 87.8 | Confident | 39 Ų | 39 | 72 Ų | 72 | 20% | 0.204 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.6 | 177.9 | -56.1 | -179.3 | 0 | 0 | 0 | 110 | D33 F37 M54 Y70 I98 Y102 L105 | D33-L35 HydrophobicContact CB-CD2 4.46Å; L35-F37 HydrophobicContact CB-CE2 4.18Å; L35-M54 HydrophobicContact CB-CE 4.26Å; L35-M54 HydrophobicContact CD2-CE 4.1Å; L35-M54 HydrophobicContact CD2-CG 4.46Å; L35-M54 HydrophobicContact CD2-SD 4.04Å; L35-Y70 HydrophobicContact CD2-CD2 4.15Å; L35-I98 HydrophobicContact CD1-CD1 3.72Å; L35-I98 HydrophobicContact CD2-CD1 4.43Å; L35-Y102 HydrophobicContact CD1-CD2 4.39Å; L35-Y102 HydrophobicContact CD1-CE2 3.88Å; L35-Y102 HydrophobicContact CD2-CE2 4.44Å; L35-L105 HydrophobicContact CD1-CD2 4.31Å |
| 36 | V | 95.9 | Very high | 89.2 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 19% | 0.194 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 107.2 | -176.2 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | L34 C38 L46 Y70 Y71 Q72 | L34-V36 HydrophobicContact CD2-CG2 4.26Å; L34-V36 HydrophobicContact CG-CG2 3.92Å; V36-C38 HydrophobicContact CG1-CB 4.27Å; V36-C38 PolarHBondContact O-N 2.89Å; V36-L46 HydrophobicContact CB-CD1 4.3Å; V36-L46 HydrophobicContact CG1-CD1 3.85Å; V36-L46 HydrophobicContact CG1-CD2 3.9Å; V36-Y70 PolarHBondContact N-O 2.72Å; V36-Y71 CarbonylContact O-C 3.56Å; V36-Y71 WeakPolarHBondContact O-CA 3.23Å; V36-Y71 WeakPolarHBondContact O-CB 3.48Å; V36-Q72 PolarHBondContact O-N 2.84Å |
| 37 | F | 95.1 | Very high | 90.4 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 20% | 0.197 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 96.2 | 173.2 | -75.2 | -83.8 | 0 | 0 | 0 | 108.9 | L35 M54 Q72 T74 F89 E92 V94 F95 I98 | L35-F37 HydrophobicContact CB-CE2 4.18Å; F37-M54 HydrophobicContact CE2-CE 4.38Å; F37-M54 HydrophobicContact CE2-SD 4.41Å; F37-M54 HydrophobicContact CZ-CE 4.29Å; F37-M54 HydrophobicContact CZ-SD 3.95Å; F37-Q72 WeakPolarHBondContact CA-O 3.49Å; F37-Q72 HydrophobicContact CD1-CB 3.97Å; F37-Q72 HydrophobicContact CD1-CG 4.21Å; F37-Q72 HydrophobicContact CE1-CB 3.99Å; F37-Q72 HydrophobicContact CE1-CG 4.15Å; F37-T74 HydrophobicContact CB-CG2 3.5Å; F37-T74 VanDerWaalsContact CB-CG2 3.5Å; F37-T74 HydrophobicContact CD1-CG2 3.78Å; F37-T74 HydrophobicContact CG-CG2 4.12Å; F37-F89 HydrophobicContact CB-CB 3.6Å; F37-F89 HydrophobicContact CD1-CB 3.61Å; F37-F89 HydrophobicContact CD2-CB 3.48Å; F37-F89 VanDerWaalsContact CD2-CB 3.48Å; F37-F89 HydrophobicContact CD2-CG 4.4Å; F37-F89 HydrophobicContact CE1-CB 4.11Å; F37-F89 HydrophobicContact CE2-CB 4Å; F37-F89 HydrophobicContact CG-CB 3.26Å; F37-F89 HydrophobicContact CZ-CB 4.29Å; F37-E92 HydrophobicContact CD1-CB 4.49Å; F37-E92 HydrophobicContact CD1-CG 4.32Å; F37-E92 HydrophobicContact CE1-CB 4.15Å; F37-E92 HydrophobicContact CE1-CG 4.46Å; F37-V94 HydrophobicContact CE1-CG1 4.36Å; F37-F95 HydrophobicContact CE1-CB 3.97Å; F37-F95 AromaticContact CE2-CD2 3.91Å; F37-F95 HydrophobicContact CE2-CD2 3.91Å; F37-F95 HydrophobicContact CZ-CB 3.78Å; F37-F95 AromaticContact CZ-CD2 3.68Å; F37-F95 HydrophobicContact CZ-CD2 3.68Å; F37-F95 HydrophobicContact CZ-CG 4.14Å; F37-I98 HydrophobicContact CZ-CD1 4.5Å |
| 38 | C | 93.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 152 | -168.1 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | V36 C43 L46 Q72 P73 T74 | V36-C38 HydrophobicContact CG1-CB 4.27Å; V36-C38 PolarHBondContact O-N 2.89Å; C38-C43 HydrophobicContact CB-CB 4.12Å; C38-C43 WeakPolarHBondContact CB-SG 3.37Å; C38-C43 VanDerWaalsContact SG-CA 3.52Å; C38-C43 WeakPolarHBondContact SG-CB 3.04Å; C38-C43 CovalentContact SG-SG 2.03Å; C38-C43 PolarHBondContact SG-SG 2.99Å; C38-L46 HydrophobicContact CB-CD1 4.3Å; C38-Q72 PolarHBondContact N-O 3.15Å; C38-P73 CarbonylContact O-C 3.53Å; C38-P73 WeakPolarHBondContact O-CA 3.23Å; C38-T74 PolarHBondContact O-N 2.85Å; C38-T74 PolarHBondContact O-OG1 2.88Å |
| 39 | E | 92.4 | Very high | 91.8 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | trans | -63.9 | 140 | 163.2 | -174 | -174.3 | 175.5 | 0 | 0 | 109 | A41 A42 C43 | E39-A41 PolarHBondContact O-N 3.5Å; E39-A42 HydrophobicContact CB-CB 4.27Å; E39-A42 WeakPolarHBondContact O-CA 3.39Å; E39-A42 WeakPolarHBondContact O-CB 3.41Å; E39-A42 PolarHBondContact O-N 2.84Å; E39-C43 PolarHBondContact O-N 2.8Å; E39-C43 PolarHBondContact O-SG 3.2Å | ||
| 40 | P | 91.2 | Very high | 92 | Very high | 77 Ų | 77 | 55.5 Ų | 55.5 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -38.1 | -177.1 | -30.7 | 36.1 | 0 | 0 | 0 | 114.6 | A42 P44 P73 | P40-A42 VanDerWaalsContact C-N 3.32Å; P40-A42 PolarHBondContact O-N 2.83Å; P40-P44 VanDerWaalsContact O-CD 3.26Å; P40-P44 WeakPolarHBondContact O-CD 3.4Å; P40-P73 HydrophobicContact CG-CB 4.43Å |
| 41 | A | 91.3 | Very high | 92 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -20.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E39 | E39-A41 PolarHBondContact O-N 3.5Š|
| 42 | A | 90.6 | Very high | 91.9 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -28.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E39 P40 K45 | E39-A42 HydrophobicContact CB-CB 4.27Å; E39-A42 WeakPolarHBondContact O-CA 3.39Å; E39-A42 WeakPolarHBondContact O-CB 3.41Å; E39-A42 PolarHBondContact O-N 2.84Å; P40-A42 VanDerWaalsContact C-N 3.32Å; P40-A42 PolarHBondContact O-N 2.83Å; A42-K45 VanDerWaalsContact O-CB 3.32Å; A42-K45 WeakPolarHBondContact O-CB 3.48Å; A42-K45 PolarHBondContact O-N 2.97Å |
| 43 | C | 91.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -54.4 | -42.3 | -177.4 | -57.1 | 0 | 0 | 0 | 0 | 114.2 | C38 E39 K45 L46 Y71 | C38-C43 HydrophobicContact CB-CB 4.12Å; C38-C43 WeakPolarHBondContact CB-SG 3.37Å; C38-C43 VanDerWaalsContact SG-CA 3.52Å; C38-C43 WeakPolarHBondContact SG-CB 3.04Å; C38-C43 CovalentContact SG-SG 2.03Å; C38-C43 PolarHBondContact SG-SG 2.99Å; E39-C43 PolarHBondContact O-N 2.8Å; E39-C43 PolarHBondContact O-SG 3.2Å; C43-K45 PolarHBondContact O-N 3.49Å; C43-K45 VanDerWaalsContact O-N 3.11Å; C43-L46 WeakPolarHBondContact O-CB 3.09Å; C43-L46 WeakPolarHBondContact O-CG 3.45Å; C43-L46 PolarHBondContact O-N 2.88Å; C43-L46 VanDerWaalsContact O-N 3.1Å; C43-Y71 HydrophobicContact CB-CD2 4.11Å; C43-Y71 HydrophobicContact CB-CE2 4.05Å |
| 44 | P | 89.4 | Confident | 90.8 | Very high | 106 Ų | 106 | 56 Ų | 56 | 69% | 0.688 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -65.4 | -13.3 | 177.2 | -22.4 | 34.7 | 0 | 0 | 0 | 114.5 | P40 | P40-P44 VanDerWaalsContact O-CD 3.26Å; P40-P44 WeakPolarHBondContact O-CD 3.4Å |
| 45 | K | 88 | Confident | 90.1 | Very high | 168 Ų | 168 | 57.6 Ų | 57.6 | 73% | 0.73 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -90.8 | -2.6 | 178.2 | -52.9 | 178.3 | -176.1 | 174.4 | 0 | 112.5 | A42 C43 | A42-K45 VanDerWaalsContact O-CB 3.32Å; A42-K45 WeakPolarHBondContact O-CB 3.48Å; A42-K45 PolarHBondContact O-N 2.97Å; C43-K45 PolarHBondContact O-N 3.49Å; C43-K45 VanDerWaalsContact O-N 3.11Å |
| 46 | L | 89.7 | Confident | 89.4 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -70 | 153.3 | 175.8 | -67 | 174.9 | 0 | 0 | 0 | 110.8 | V36 C38 C43 C50 Y71 | V36-L46 HydrophobicContact CB-CD1 4.3Å; V36-L46 HydrophobicContact CG1-CD1 3.85Å; V36-L46 HydrophobicContact CG1-CD2 3.9Å; C38-L46 HydrophobicContact CB-CD1 4.3Å; C43-L46 WeakPolarHBondContact O-CB 3.09Å; C43-L46 WeakPolarHBondContact O-CG 3.45Å; C43-L46 PolarHBondContact O-N 2.88Å; C43-L46 VanDerWaalsContact O-N 3.1Å; L46-C50 HydrophobicContact CB-CB 4.47Å; L46-Y71 VanDerWaalsContact CD1-CB 3.42Å; L46-Y71 HydrophobicContact CD1-CD1 4.14Å; L46-Y71 HydrophobicContact CD1-CD2 4.1Å; L46-Y71 HydrophobicContact CD1-CG 3.64Å |
| 47 | P | 89 | Confident | 88.4 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | trans | -55.5 | 140.9 | 174 | -28.2 | 39.5 | 0 | 0 | 0 | 112.3 | Y5 D49 C50 | Y5-P47 HydrophobicContact CD1-CG 3.72Å; Y5-P47 HydrophobicContact CD2-CB 4.38Å; Y5-P47 HydrophobicContact CD2-CG 3.81Å; Y5-P47 HydrophobicContact CE1-CB 3.89Å; Y5-P47 HydrophobicContact CE1-CG 3.49Å; Y5-P47 VanDerWaalsContact CE1-CG 3.49Å; Y5-P47 HydrophobicContact CE2-CB 3.64Å; Y5-P47 HydrophobicContact CE2-CG 3.57Å; Y5-P47 HydrophobicContact CG-CG 3.88Å; Y5-P47 VanDerWaalsContact CZ-CG 3.4Å; Y5-P47 WeakPolarHBondContact OH-CB 3.34Å; P47-D49 VanDerWaalsContact CB-OD1 3.23Å; P47-D49 WeakPolarHBondContact CB-OD1 3.26Å; P47-D49 PolarHBondContact O-N 3.32Å; P47-C50 WeakPolarHBondContact O-CB 3.25Å; P47-C50 PolarHBondContact O-N 3.36Å | ||
| 48 | N | 86.9 | Confident | 87.7 | Confident | 114 Ų | 114 | 59.5 Ų | 59.5 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18 | -173.4 | -67.1 | -4.1 | 0 | 0 | 0 | 114.7 | ||
| 49 | D | 89.2 | Confident | 86.9 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6 | 175.9 | 61.3 | -23.1 | 0 | 0 | 0 | 113.1 | Y5 P47 L51 | Y5-D49 PolarHBondContact OH-OD1 2.8Å; Y5-D49 PolarHBondContact OH-OD2 2.95Å; P47-D49 VanDerWaalsContact CB-OD1 3.23Å; P47-D49 WeakPolarHBondContact CB-OD1 3.26Å; P47-D49 PolarHBondContact O-N 3.32Å; D49-L51 PolarHBondContact O-N 2.75Å |
| 50 | C | 91.7 | Very high | 85.9 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 5% | 0.054 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -73.7 | 124 | 164.8 | -70.1 | 0 | 0 | 0 | 0 | 109.9 | L46 P47 C69 Y71 | L46-C50 HydrophobicContact CB-CB 4.47Å; P47-C50 WeakPolarHBondContact O-CB 3.25Å; P47-C50 PolarHBondContact O-N 3.36Å; C50-C69 CarbonylContact C-O 3.53Å; C50-C69 WeakPolarHBondContact CA-O 3.36Å; C50-C69 HydrophobicContact CB-CB 3.89Å; C50-C69 WeakPolarHBondContact CB-SG 3.14Å; C50-C69 WeakPolarHBondContact SG-CB 3.3Å; C50-C69 CovalentContact SG-SG 2.04Å; C50-C69 PolarHBondContact SG-SG 3.05Å; C50-Y71 HydrophobicContact CB-CD1 4.04Å; C50-Y71 WeakPolarHBondContact O-CD1 3.34Å; C50-Y71 VanDerWaalsContact O-CE1 3.31Å; C50-Y71 WeakPolarHBondContact O-CE1 3.21Å |
| 51 | L | 91.8 | Very high | 85 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -92.1 | 129.9 | -169.5 | -55.3 | -178.8 | 0 | 0 | 0 | 111.4 | D49 K57 A68 C69 Y70 Y71 | D49-L51 PolarHBondContact O-N 2.75Å; L51-K57 HydrophobicContact CB-CD 3.8Å; L51-K57 HydrophobicContact CD1-CD 3.96Å; L51-K57 HydrophobicContact CG-CD 4.43Å; L51-A68 HydrophobicContact CD1-CB 4.36Å; L51-C69 PolarHBondContact N-O 2.77Å; L51-Y70 HydrophobicContact CB-CD1 3.9Å; L51-Y70 HydrophobicContact CB-CE1 4.17Å; L51-Y70 HydrophobicContact CD1-CD1 4.49Å; L51-Y70 HydrophobicContact CD1-CE1 3.95Å; L51-Y70 CarbonylContact O-C 3.52Å; L51-Y70 VanDerWaalsContact O-CA 3.28Å; L51-Y70 WeakPolarHBondContact O-CA 3.31Å; L51-Y71 PolarHBondContact O-N 2.89Å |
| 52 | S | 89.5 | Confident | 83.8 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -75.6 | 175.1 | 169.2 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | K57 Y71 | S52-K57 WeakPolarHBondContact O-CD 3.2Å; S52-K57 VanDerWaalsContact O-CE 3.32Å; S52-K57 WeakPolarHBondContact O-CE 3.49Å; S52-Y71 WeakPolarHBondContact CB-OH 3.47Å |
| 53 | K | 82.4 | Confident | 82.3 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | trans | 55 | 55.5 | -179.3 | -58.9 | -175.4 | 177.4 | -173.4 | 0 | 111.6 | E55 D56 K57 | K53-E55 VanDerWaalsContact C-N 3.33Å; K53-E55 PolarHBondContact O-N 3.26Å; K53-D56 HydrophobicContact CB-CB 4.39Å; K53-D56 PolarHBondContact O-N 2.89Å; K53-K57 PolarHBondContact O-N 2.87Å | ||
| 54 | M | 85.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -46.5 | -52 | -175 | -177.3 | -178.9 | -70.1 | 0 | 0 | 112.5 | L35 F37 L58 Y70 Q72 V94 I98 | L35-M54 HydrophobicContact CB-CE 4.26Å; L35-M54 HydrophobicContact CD2-CE 4.1Å; L35-M54 HydrophobicContact CD2-CG 4.46Å; L35-M54 HydrophobicContact CD2-SD 4.04Å; F37-M54 HydrophobicContact CE2-CE 4.38Å; F37-M54 HydrophobicContact CE2-SD 4.41Å; F37-M54 HydrophobicContact CZ-CE 4.29Å; F37-M54 HydrophobicContact CZ-SD 3.95Å; M54-L58 HydrophobicContact CG-CD1 3.63Å; M54-L58 HydrophobicContact CG-CG 4.41Å; M54-L58 WeakPolarHBondContact O-CB 3.28Å; M54-L58 WeakPolarHBondContact O-CD1 3.09Å; M54-L58 WeakPolarHBondContact O-CG 3.41Å; M54-L58 PolarHBondContact O-N 3.12Å; M54-Y70 HydrophobicContact CG-CG 4.25Å; M54-Q72 HydrophobicContact CE-CB 4.04Å; M54-V94 HydrophobicContact CB-CG2 4.19Å; M54-V94 HydrophobicContact CG-CG2 4.39Å; M54-V94 HydrophobicContact SD-CG2 4.39Å; M54-I98 HydrophobicContact CG-CD1 4.34Å; M54-I98 HydrophobicContact SD-CD1 3.57Å; M54-I98 VanDerWaalsContact SD-CD1 3.57Å |
| 55 | E | 81.5 | Confident | 80.2 | Confident | 52 Ų | 52 | 73.3 Ų | 73.3 | 24% | 0.243 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.4 | -57.7 | -179.8 | -168.3 | 179.7 | 163.4 | 0 | 0 | 113.2 | K53 K57 L58 V59 V94 R97 | K53-E55 VanDerWaalsContact C-N 3.33Å; K53-E55 PolarHBondContact O-N 3.26Å; E55-K57 VanDerWaalsContact C-N 3.25Å; E55-K57 PolarHBondContact O-N 3.04Å; E55-L58 PolarHBondContact O-N 3.17Å; E55-V59 WeakPolarHBondContact O-CG2 3.26Å; E55-V59 PolarHBondContact O-N 3.03Å; E55-V94 HydrophobicContact CB-CG2 3.75Å; E55-R97 VanDerWaalsContact CD-NH1 3.32Å; E55-R97 WeakPolarHBondContact OE1-CD 3.47Å; E55-R97 IonicContact OE1-CZ 3.75Å; E55-R97 IonicContact OE1-NE 3.84Å; E55-R97 IonicContact OE1-NH1 3.02Å; E55-R97 PolarHBondContact OE1-NH1 3.35Å; E55-R97 WeakPolarHBondContact OE2-CD 3.43Å; E55-R97 IonicContact OE2-CZ 3.71Å; E55-R97 IonicContact OE2-NE 3.86Å; E55-R97 IonicContact OE2-NH1 2.78Å; E55-R97 PolarHBondContact OE2-NH1 3.3Å |
| 56 | D | 79.8 | Confident | 80 | Confident | 92 Ų | 92 | 73.6 Ų | 73.6 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -54.9 | -46.4 | -174.3 | -61 | -18.2 | 0 | 0 | 0 | 110.3 | K53 T60 | K53-D56 HydrophobicContact CB-CB 4.39Å; K53-D56 PolarHBondContact O-N 2.89Å; D56-T60 WeakPolarHBondContact O-CB 3.44Å; D56-T60 VanDerWaalsContact O-CG2 3.22Å; D56-T60 WeakPolarHBondContact O-CG2 3.46Å; D56-T60 PolarHBondContact O-N 2.79Å; D56-T60 PolarHBondContact O-OG1 3.3Å |
| 57 | K | 76.1 | Confident | 80.1 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 26% | 0.261 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | -177.2 | -65.9 | -165.5 | 178.6 | -161.6 | 0 | 112.7 | L51 S52 K53 E55 V59 T60 E61 Y70 | L51-K57 HydrophobicContact CB-CD 3.8Å; L51-K57 HydrophobicContact CD1-CD 3.96Å; L51-K57 HydrophobicContact CG-CD 4.43Å; S52-K57 WeakPolarHBondContact O-CD 3.2Å; S52-K57 VanDerWaalsContact O-CE 3.32Å; S52-K57 WeakPolarHBondContact O-CE 3.49Å; K53-K57 PolarHBondContact O-N 2.87Å; E55-K57 VanDerWaalsContact C-N 3.25Å; E55-K57 PolarHBondContact O-N 3.04Å; K57-V59 VanDerWaalsContact C-N 3.29Å; K57-V59 PolarHBondContact O-N 3.49Å; K57-T60 WeakPolarHBondContact CA-OG1 3.27Å; K57-T60 PolarHBondContact O-N 3.13Å; K57-T60 PolarHBondContact O-OG1 2.83Å; K57-T60 VanDerWaalsContact O-OG1 3.09Å; K57-E61 WeakPolarHBondContact O-CB 3.35Å; K57-E61 VanDerWaalsContact O-CG 3.26Å; K57-E61 WeakPolarHBondContact O-CG 3.49Å; K57-E61 PolarHBondContact O-N 3.17Å; K57-Y70 HydrophobicContact CB-CD1 4.33Å; K57-Y70 HydrophobicContact CB-CE1 3.68Å; K57-Y70 HydrophobicContact CD-CE1 4.27Å |
| 58 | L | 80 | Confident | 80.2 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 179 | -72.2 | 172.9 | 0 | 0 | 0 | 111.6 | M54 E55 Y70 I98 L101 Y102 | M54-L58 HydrophobicContact CG-CD1 3.63Å; M54-L58 HydrophobicContact CG-CG 4.41Å; M54-L58 WeakPolarHBondContact O-CB 3.28Å; M54-L58 WeakPolarHBondContact O-CD1 3.09Å; M54-L58 WeakPolarHBondContact O-CG 3.41Å; M54-L58 PolarHBondContact O-N 3.12Å; E55-L58 PolarHBondContact O-N 3.17Å; L58-Y70 HydrophobicContact CD2-CD2 3.92Å; L58-Y70 HydrophobicContact CD2-CE1 4.24Å; L58-Y70 HydrophobicContact CD2-CE2 3.48Å; L58-Y70 VanDerWaalsContact CD2-CE2 3.48Å; L58-Y70 HydrophobicContact CD2-CG 4.46Å; L58-Y70 HydrophobicContact CG-CE1 4.36Å; L58-Y70 HydrophobicContact CG-CE2 4.35Å; L58-I98 HydrophobicContact CD1-CB 3.95Å; L58-I98 HydrophobicContact CD1-CD1 4.26Å; L58-I98 HydrophobicContact CD1-CG2 3.53Å; L58-L101 HydrophobicContact CB-CD1 3.76Å; L58-L101 HydrophobicContact CD1-CD1 4.39Å; L58-Y102 HydrophobicContact CD1-CE2 4.3Å; L58-Y102 WeakPolarHBondContact CD2-OH 3.45Å |
| 59 | V | 76.6 | Confident | 80.6 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -70.6 | -39.7 | -179.5 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | E55 K57 L101 | E55-V59 WeakPolarHBondContact O-CG2 3.26Å; E55-V59 PolarHBondContact O-N 3.03Å; K57-V59 VanDerWaalsContact C-N 3.29Å; K57-V59 PolarHBondContact O-N 3.49Å; V59-L101 HydrophobicContact CG2-CD1 4.39Å |
| 60 | T | 71.7 | Confident | 80.9 | Confident | 110 Ų | 110 | 65.6 Ų | 65.6 | 68% | 0.675 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -74.7 | -24.5 | -177.5 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | D56 K57 | D56-T60 WeakPolarHBondContact O-CB 3.44Å; D56-T60 VanDerWaalsContact O-CG2 3.22Å; D56-T60 WeakPolarHBondContact O-CG2 3.46Å; D56-T60 PolarHBondContact O-N 2.79Å; D56-T60 PolarHBondContact O-OG1 3.3Å; K57-T60 WeakPolarHBondContact CA-OG1 3.27Å; K57-T60 PolarHBondContact O-N 3.13Å; K57-T60 PolarHBondContact O-OG1 2.83Å; K57-T60 VanDerWaalsContact O-OG1 3.09Å |
| 61 | E | 71.5 | Confident | 81 | Confident | 78 Ų | 78 | 68 Ų | 68 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -95.1 | -15.6 | -170.2 | -68.8 | 172 | 176 | 0 | 0 | 113.5 | K57 R65 Y70 | K57-E61 WeakPolarHBondContact O-CB 3.35Å; K57-E61 VanDerWaalsContact O-CG 3.26Å; K57-E61 WeakPolarHBondContact O-CG 3.49Å; K57-E61 PolarHBondContact O-N 3.17Å; E61-R65 HydrophobicContact CB-CB 4.05Å; E61-R65 HydrophobicContact CB-CG 4.18Å; E61-R65 VanDerWaalsContact O-CB 3.27Å; E61-R65 WeakPolarHBondContact O-CB 3.26Å; E61-R65 PolarHBondContact O-N 3.35Å; E61-Y70 PolarHBondContact OE2-OH 3.31Å |
| 62 | M | 66.8 | Low | 81.1 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 49% | 0.493 | 35% | 0.352 | S | S | . | . | trans | -73.1 | 138.3 | 176.6 | -73.4 | -174.9 | 73.6 | 0 | 0 | 111.6 | L101 | M62-L101 HydrophobicContact SD-CB 4.4Å; M62-L101 HydrophobicContact SD-CD2 4.01Å | ||
| 63 | P | 59.3 | Low | 81.4 | Confident | 124 Ų | 124 | 68 Ų | 68 | 81% | 0.805 | 35% | 0.353 | S | S | * | . | S | Bend | cis | -102 | -9.5 | 15 | 35.9 | -33.3 | 0 | 0 | 0 | 116.4 | R65 | P63-R65 PolarHBondContact O-N 2.79Å; P63-R65 VanDerWaalsContact O-N 3.09Å |
| 64 | L | 62 | Low | 81.9 | Confident | 170 Ų | 170 | 61.8 Ų | 61.8 | 89% | 0.89 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -83.7 | 25.1 | -174.8 | -76.8 | 158.7 | 0 | 0 | 0 | 113.9 | ||
| 65 | R | 74.8 | Confident | 82.4 | Confident | 29 Ų | 29 | 68.5 Ų | 68.5 | 11% | 0.109 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 128.2 | -165.7 | 161.1 | -82.2 | -145.3 | -46.4 | -12.5 | 111.3 | D33 E61 P63 Y70 Y102 | D33-R65 IonicContact OD1-CZ 2.96Å; D33-R65 IonicContact OD1-NE 3.58Å; D33-R65 IonicContact OD1-NH1 3.08Å; D33-R65 PolarHBondContact OD1-NH1 3.5Å; D33-R65 VanDerWaalsContact OD1-NH1 3.08Å; D33-R65 IonicContact OD1-NH2 3.05Å; D33-R65 PolarHBondContact OD1-NH2 2.85Å; D33-R65 IonicContact OD2-CZ 3.11Å; D33-R65 IonicContact OD2-NE 3.42Å; D33-R65 PolarHBondContact OD2-NE 2.83Å; D33-R65 IonicContact OD2-NH1 3.97Å; D33-R65 IonicContact OD2-NH2 2.56Å; D33-R65 PolarHBondContact OD2-NH2 3.39Å; E61-R65 HydrophobicContact CB-CB 4.05Å; E61-R65 HydrophobicContact CB-CG 4.18Å; E61-R65 VanDerWaalsContact O-CB 3.27Å; E61-R65 WeakPolarHBondContact O-CB 3.26Å; E61-R65 PolarHBondContact O-N 3.35Å; P63-R65 PolarHBondContact O-N 2.79Å; P63-R65 VanDerWaalsContact O-N 3.09Å; R65-Y70 VanDerWaalsContact NH1-CE2 3.27Å; R65-Y70 PolarHBondContact NH1-OH 2.83Å; R65-Y102 PolarHBondContact NH2-OH 2.04Å; R65-Y102 VanDerWaalsContact NH2-OH 3.17Å |
| 66 | K | 84.4 | Confident | 83 | Confident | 174 Ų | 174 | 69.9 Ų | 69.9 | 76% | 0.757 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 150.1 | 167.9 | -68.3 | -175.8 | 179.6 | -178 | 0 | 109.8 | A68 | K66-A68 PolarHBondContact O-N 2.9Š|
| 67 | P | 91.2 | Very high | 83.8 | Confident | 35 Ų | 35 | 67 Ų | 67 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 137.2 | 171.4 | -25.2 | 35.3 | 0 | 0 | 0 | 111.2 | Q12 L31 D33 | Q12-P67 HydrophobicContact CG-CB 4.45Å; L31-P67 HydrophobicContact CD2-CG 3.97Å; D33-P67 WeakPolarHBondContact OD1-CA 3.44Å |
| 68 | A | 92.4 | Very high | 84.7 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 13% | 0.132 | 37% | 0.373 | C | S | . | . | trans | -143.3 | 161.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D33 L34 L51 K66 Y70 | D33-A68 WeakPolarHBondContact CA-O 3.19Å; D33-A68 WeakPolarHBondContact CB-O 3.47Å; D33-A68 PolarHBondContact OD1-N 2.9Å; L34-A68 PolarHBondContact N-O 3.39Å; L51-A68 HydrophobicContact CD1-CB 4.36Å; K66-A68 PolarHBondContact O-N 2.9Å; A68-Y70 HydrophobicContact CB-CD2 4.38Å; A68-Y70 HydrophobicContact CB-CE2 3.6Å | ||
| 69 | C | 94.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.007 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 127.6 | 168.6 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | W8 L34 C50 L51 | W8-C69 HydrophobicContact CE3-CB 4.46Å; W8-C69 HydrophobicContact CH2-CB 3.83Å; W8-C69 VanDerWaalsContact CH2-N 3.26Å; W8-C69 HydrophobicContact CZ2-CB 4.48Å; W8-C69 HydrophobicContact CZ3-CB 3.81Å; L34-C69 HydrophobicContact CB-CB 4.27Å; L34-C69 CarbonylContact O-C 3.51Å; L34-C69 WeakPolarHBondContact O-CA 3.41Å; C50-C69 CarbonylContact C-O 3.53Å; C50-C69 WeakPolarHBondContact CA-O 3.36Å; C50-C69 HydrophobicContact CB-CB 3.89Å; C50-C69 WeakPolarHBondContact CB-SG 3.14Å; C50-C69 WeakPolarHBondContact SG-CB 3.3Å; C50-C69 CovalentContact SG-SG 2.04Å; C50-C69 PolarHBondContact SG-SG 3.05Å; L51-C69 PolarHBondContact N-O 2.77Å |
| 70 | Y | 94.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 147.9 | 172.9 | -60.1 | -87.7 | 0 | 0 | 0 | 109.9 | L34 L35 V36 L51 M54 K57 L58 E61 R65 A68 | L34-Y70 PolarHBondContact O-N 2.81Å; L35-Y70 HydrophobicContact CD2-CD2 4.15Å; V36-Y70 PolarHBondContact N-O 2.72Å; L51-Y70 HydrophobicContact CB-CD1 3.9Å; L51-Y70 HydrophobicContact CB-CE1 4.17Å; L51-Y70 HydrophobicContact CD1-CD1 4.49Å; L51-Y70 HydrophobicContact CD1-CE1 3.95Å; L51-Y70 CarbonylContact O-C 3.52Å; L51-Y70 VanDerWaalsContact O-CA 3.28Å; L51-Y70 WeakPolarHBondContact O-CA 3.31Å; M54-Y70 HydrophobicContact CG-CG 4.25Å; K57-Y70 HydrophobicContact CB-CD1 4.33Å; K57-Y70 HydrophobicContact CB-CE1 3.68Å; K57-Y70 HydrophobicContact CD-CE1 4.27Å; L58-Y70 HydrophobicContact CD2-CD2 3.92Å; L58-Y70 HydrophobicContact CD2-CE1 4.24Å; L58-Y70 HydrophobicContact CD2-CE2 3.48Å; L58-Y70 VanDerWaalsContact CD2-CE2 3.48Å; L58-Y70 HydrophobicContact CD2-CG 4.46Å; L58-Y70 HydrophobicContact CG-CE1 4.36Å; L58-Y70 HydrophobicContact CG-CE2 4.35Å; E61-Y70 PolarHBondContact OE2-OH 3.31Å; R65-Y70 VanDerWaalsContact NH1-CE2 3.27Å; R65-Y70 PolarHBondContact NH1-OH 2.83Å; A68-Y70 HydrophobicContact CB-CD2 4.38Å; A68-Y70 HydrophobicContact CB-CE2 3.6Å |
| 71 | Y | 94.9 | Very high | 87.6 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.5 | 173.6 | 78.5 | -92 | 0 | 0 | 0 | 113.6 | V36 C43 L46 C50 L51 S52 | V36-Y71 CarbonylContact O-C 3.56Å; V36-Y71 WeakPolarHBondContact O-CA 3.23Å; V36-Y71 WeakPolarHBondContact O-CB 3.48Å; C43-Y71 HydrophobicContact CB-CD2 4.11Å; C43-Y71 HydrophobicContact CB-CE2 4.05Å; L46-Y71 VanDerWaalsContact CD1-CB 3.42Å; L46-Y71 HydrophobicContact CD1-CD1 4.14Å; L46-Y71 HydrophobicContact CD1-CD2 4.1Å; L46-Y71 HydrophobicContact CD1-CG 3.64Å; C50-Y71 HydrophobicContact CB-CD1 4.04Å; C50-Y71 WeakPolarHBondContact O-CD1 3.34Å; C50-Y71 VanDerWaalsContact O-CE1 3.31Å; C50-Y71 WeakPolarHBondContact O-CE1 3.21Å; L51-Y71 PolarHBondContact O-N 2.89Å; S52-Y71 WeakPolarHBondContact CB-OH 3.47Å |
| 72 | Q | 94.3 | Very high | 88.6 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 124 | 177 | 175.7 | 64 | 40.2 | 0 | 0 | 109.5 | V36 F37 C38 M54 T74 E92 V94 | V36-Q72 PolarHBondContact O-N 2.84Å; F37-Q72 WeakPolarHBondContact CA-O 3.49Å; F37-Q72 HydrophobicContact CD1-CB 3.97Å; F37-Q72 HydrophobicContact CD1-CG 4.21Å; F37-Q72 HydrophobicContact CE1-CB 3.99Å; F37-Q72 HydrophobicContact CE1-CG 4.15Å; C38-Q72 PolarHBondContact N-O 3.15Å; M54-Q72 HydrophobicContact CE-CB 4.04Å; Q72-T74 PolarHBondContact O-N 3.26Å; Q72-E92 HydrophobicContact CG-CG 4.28Å; Q72-V94 HydrophobicContact CB-CG1 4.26Å; Q72-V94 HydrophobicContact CG-CG1 3.49Å; Q72-V94 VanDerWaalsContact CG-CG1 3.49Å |
| 73 | P | 94.4 | Very high | 90 | Very high | 53 Ų | 53 | 68.5 Ų | 68.5 | 34% | 0.344 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 134.3 | 166.4 | -20.4 | 31.6 | 0 | 0 | 0 | 111.3 | C38 P40 | C38-P73 CarbonylContact O-C 3.53Å; C38-P73 WeakPolarHBondContact O-CA 3.23Å; P40-P73 HydrophobicContact CG-CB 4.43Å |
| 74 | T | 94 | Very high | 91.7 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | trans | -106.5 | 150.1 | -176.6 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | F37 C38 Q72 A88 E92 | F37-T74 HydrophobicContact CB-CG2 3.5Å; F37-T74 VanDerWaalsContact CB-CG2 3.5Å; F37-T74 HydrophobicContact CD1-CG2 3.78Å; F37-T74 HydrophobicContact CG-CG2 4.12Å; C38-T74 PolarHBondContact O-N 2.85Å; C38-T74 PolarHBondContact O-OG1 2.88Å; Q72-T74 PolarHBondContact O-N 3.26Å; T74-A88 HydrophobicContact CG2-CB 4.45Å; T74-E92 HydrophobicContact CG2-CG 3.94Å | ||
| 75 | R | 95.1 | Very high | 93.3 | Very high | 141 Ų | 141 | 55.8 Ų | 55.8 | 53% | 0.532 | 29% | 0.285 | S | S | . | . | trans | -85.3 | 109.6 | 163.7 | -66.5 | 177.8 | -66.4 | -175.8 | 9.5 | 109.3 | N91 E92 | R75-N91 PolarHBondContact NH2-O 3.49Å; R75-N91 PolarHBondContact O-ND2 2.99Å; R75-E92 WeakPolarHBondContact CB-OE1 3.29Å; R75-E92 WeakPolarHBondContact CG-OE1 3.41Å; R75-E92 PolarHBondContact N-OE1 3.11Å; R75-E92 IonicContact NE-OE1 3.61Å; R75-E92 PolarHBondContact NE-OE1 3.1Å | ||
| 76 | Q | 94.8 | Very high | 94.3 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | trans | -60.9 | 148.5 | 175 | -58.8 | -93.8 | -63.1 | 0 | 0 | 110.1 | N85 | Q76-N85 VanDerWaalsContact CA-OD1 3.23Å; Q76-N85 WeakPolarHBondContact CA-OD1 3.43Å; Q76-N85 WeakPolarHBondContact CB-OD1 3.24Å; Q76-N85 VanDerWaalsContact CD-CG 3.43Å; Q76-N85 PolarHBondContact OE1-ND2 3.37Å | ||
| 77 | F | 95.9 | Very high | 94.9 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | trans | -66.6 | 133.5 | 166.2 | -65.6 | -83.1 | 0 | 0 | 0 | 109.1 | H79 V84 N85 A88 V90 N91 A181 M185 | F77-H79 VanDerWaalsContact C-N 3.27Å; F77-H79 HydrophobicContact CB-CB 4.46Å; F77-H79 PolarHBondContact O-N 2.63Å; F77-V84 HydrophobicContact CB-CG1 3.76Å; F77-V84 HydrophobicContact CD2-CG1 3.94Å; F77-V84 HydrophobicContact CD2-CG2 4.12Å; F77-V84 HydrophobicContact CE2-CG2 4.42Å; F77-V84 HydrophobicContact CG-CG1 4.11Å; F77-V84 HydrophobicContact CG-CG2 4.48Å; F77-N85 PolarHBondContact N-OD1 3.24Å; F77-A88 HydrophobicContact CD2-CB 4.49Å; F77-A88 HydrophobicContact CE2-CB 4.42Å; F77-V90 HydrophobicContact CZ-CG2 3.87Å; F77-N91 WeakPolarHBondContact CE1-ND2 3.3Å; F77-N91 WeakPolarHBondContact CE1-OD1 3.37Å; F77-N91 WeakPolarHBondContact CZ-ND2 3.41Å; F77-A181 HydrophobicContact CE1-CB 4.26Å; F77-A181 HydrophobicContact CE2-CB 4.03Å; F77-A181 HydrophobicContact CZ-CB 3.61Å; F77-M185 HydrophobicContact CB-SD 4.31Å; F77-M185 HydrophobicContact CD1-CE 4.03Å; F77-M185 HydrophobicContact CD1-SD 4.2Å; F77-M185 HydrophobicContact CE1-CE 4.34Å; F77-M185 HydrophobicContact CG-SD 4.44Å | ||
| 78 | N | 95.3 | Very high | 95.2 | Very high | 176 Ų | 176 | 46.9 Ų | 46.9 | 94% | 0.941 | 25% | 0.25 | S | S | * | . | trans | -78.4 | 80.7 | 172.2 | -174.3 | 24.2 | 0 | 0 | 0 | 109.4 | ||||
| 79 | H | 96.9 | Very high | 95.3 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 19% | 0.185 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -145.3 | 147.7 | -175.2 | -161.5 | -93.3 | 0 | 0 | 0 | 111.1 | F77 Y81 V84 M185 F188 D189 | F77-H79 VanDerWaalsContact C-N 3.27Å; F77-H79 HydrophobicContact CB-CB 4.46Å; F77-H79 PolarHBondContact O-N 2.63Å; H79-Y81 WeakPolarHBondContact ND1-CB 3.48Å; H79-Y81 PolarHBondContact ND1-N 3.33Å; H79-Y81 VanDerWaalsContact ND1-N 3.15Å; H79-Y81 PolarHBondContact O-N 3.04Å; H79-Y81 VanDerWaalsContact O-N 3.15Å; H79-V84 HydrophobicContact CB-CG1 4.26Å; H79-M185 HydrophobicContact CB-CG 4.27Å; H79-M185 HydrophobicContact CB-SD 3.96Å; H79-M185 VanDerWaalsContact CD2-CG 3.44Å; H79-M185 WeakPolarHBondContact CD2-CG 3.37Å; H79-M185 VanDerWaalsContact CD2-SD 3.58Å; H79-M185 VanDerWaalsContact NE2-CB 3.34Å; H79-M185 WeakPolarHBondContact NE2-CB 3.48Å; H79-F188 AromaticContact CE1-CD1 3.75Å; H79-D189 IonicContact CE1-OD1 2.72Å; H79-D189 PolarHBondContact CE1-OD1 3.04Å; H79-D189 VanDerWaalsContact CE1-OD1 3.22Å; H79-D189 IonicContact CE1-OD2 3.65Å; H79-D189 IonicContact NE2-OD1 2.84Å; H79-D189 PolarHBondContact NE2-OD1 3.36Å; H79-D189 IonicContact NE2-OD2 4Å; H79-D189 PolarHBondContact NE2-OD2 3.07Å; H79-D189 VanDerWaalsContact NE2-OD2 3.17Å |
| 80 | S | 95.8 | Very high | 95.5 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 62% | 0.622 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -69.4 | -8.5 | 179.1 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | P82 | S80-P82 VanDerWaalsContact O-CD 3.31Å; S80-P82 WeakPolarHBondContact O-CD 3.4Å |
| 81 | Y | 96.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | trans | -100.6 | 101.2 | 178.3 | -178.8 | -134.1 | 0 | 0 | 0 | 110 | H79 N83 V84 T184 F188 P218 S220 S221 | H79-Y81 WeakPolarHBondContact ND1-CB 3.48Å; H79-Y81 PolarHBondContact ND1-N 3.33Å; H79-Y81 VanDerWaalsContact ND1-N 3.15Å; H79-Y81 PolarHBondContact O-N 3.04Å; H79-Y81 VanDerWaalsContact O-N 3.15Å; Y81-N83 VanDerWaalsContact C-N 3.29Å; Y81-N83 HydrophobicContact CD2-CB 4.4Å; Y81-N83 HydrophobicContact CE1-CB 3.94Å; Y81-N83 HydrophobicContact CE2-CB 3.74Å; Y81-N83 PolarHBondContact O-N 2.79Å; Y81-V84 HydrophobicContact CD1-CB 4.02Å; Y81-V84 WeakPolarHBondContact O-CG1 3.27Å; Y81-V84 PolarHBondContact O-N 3.01Å; Y81-T184 HydrophobicContact CD1-CG2 3.52Å; Y81-T184 HydrophobicContact CE1-CG2 3.32Å; Y81-F188 HydrophobicContact CD1-CB 4.49Å; Y81-F188 HydrophobicContact CD1-CD2 4.09Å; Y81-F188 HydrophobicContact CD1-CG 4.35Å; Y81-F188 AromaticContact CD2-CD2 3.43Å; Y81-F188 HydrophobicContact CD2-CD2 3.43Å; Y81-F188 VanDerWaalsContact CD2-CD2 3.43Å; Y81-F188 AromaticContact CD2-CE2 3.16Å; Y81-F188 HydrophobicContact CD2-CE2 3.16Å; Y81-F188 HydrophobicContact CD2-CG 4.26Å; Y81-F188 AromaticContact CD2-CZ 3.77Å; Y81-F188 HydrophobicContact CD2-CZ 3.77Å; Y81-F188 AromaticContact CE2-CD2 3.97Å; Y81-F188 HydrophobicContact CE2-CD2 3.97Å; Y81-F188 AromaticContact CE2-CE2 3.84Å; Y81-F188 HydrophobicContact CE2-CE2 3.84Å; Y81-F188 HydrophobicContact CG-CB 4.45Å; Y81-F188 HydrophobicContact CG-CD1 4.34Å; Y81-F188 AromaticContact CG-CD2 3.47Å; Y81-F188 HydrophobicContact CG-CD2 3.47Å; Y81-F188 VanDerWaalsContact CG-CD2 3.47Å; Y81-F188 HydrophobicContact CG-CE1 4.39Å; Y81-F188 AromaticContact CG-CE2 3.6Å; Y81-F188 HydrophobicContact CG-CE2 3.6Å; Y81-F188 AromaticContact CG-CG 3.85Å; Y81-F188 HydrophobicContact CG-CG 3.85Å; Y81-F188 HydrophobicContact CG-CZ 4.03Å; Y81-P218 PolarHBondContact OH-O 3.36Å; Y81-S220 PolarHBondContact OH-N 3.15Å; Y81-S221 PolarHBondContact OH-N 3.05Å; Y81-S221 PolarHBondContact OH-OG 2.97Å | ||
| 82 | P | 93.9 | Very high | 95.5 | Very high | 85 Ų | 85 | 48 Ų | 48 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -63.8 | -32.7 | -172.9 | 23.5 | -33.7 | 0 | 0 | 0 | 113.2 | S80 V84 N85 | S80-P82 VanDerWaalsContact O-CD 3.31Å; S80-P82 WeakPolarHBondContact O-CD 3.4Å; P82-V84 PolarHBondContact O-N 3.1Å; P82-V84 VanDerWaalsContact O-N 3.15Å; P82-N85 VanDerWaalsContact O-CB 3.3Å; P82-N85 WeakPolarHBondContact O-CB 2.99Å; P82-N85 PolarHBondContact O-N 3.31Å; P82-N85 PolarHBondContact O-ND2 3.38Å; P82-N85 VanDerWaalsContact O-ND2 3.15Å |
| 83 | N | 94.2 | Very high | 95.5 | Very high | 80 Ų | 80 | 53 Ų | 53 | 43% | 0.428 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -69.8 | -13 | -175.2 | -58.8 | -16.8 | 0 | 0 | 0 | 113.4 | Y81 N85 S86 P218 | Y81-N83 VanDerWaalsContact C-N 3.29Å; Y81-N83 HydrophobicContact CD2-CB 4.4Å; Y81-N83 HydrophobicContact CE1-CB 3.94Å; Y81-N83 HydrophobicContact CE2-CB 3.74Å; Y81-N83 PolarHBondContact O-N 2.79Å; N83-N85 PolarHBondContact O-N 3.44Å; N83-S86 WeakPolarHBondContact O-CB 3.4Å; N83-S86 PolarHBondContact O-N 3.09Å; N83-S86 VanDerWaalsContact O-N 3.16Å; N83-S86 PolarHBondContact O-OG 3.22Å; N83-P218 PolarHBondContact ND2-O 2.76Å |
| 84 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -61.1 | -24.8 | 169.8 | 77.4 | 0 | 0 | 0 | 0 | 111.6 | F77 H79 Y81 P82 S86 Y87 A181 T184 M185 | F77-V84 HydrophobicContact CB-CG1 3.76Å; F77-V84 HydrophobicContact CD2-CG1 3.94Å; F77-V84 HydrophobicContact CD2-CG2 4.12Å; F77-V84 HydrophobicContact CE2-CG2 4.42Å; F77-V84 HydrophobicContact CG-CG1 4.11Å; F77-V84 HydrophobicContact CG-CG2 4.48Å; H79-V84 HydrophobicContact CB-CG1 4.26Å; Y81-V84 HydrophobicContact CD1-CB 4.02Å; Y81-V84 WeakPolarHBondContact O-CG1 3.27Å; Y81-V84 PolarHBondContact O-N 3.01Å; P82-V84 PolarHBondContact O-N 3.1Å; P82-V84 VanDerWaalsContact O-N 3.15Å; V84-S86 PolarHBondContact O-N 3.24Å; V84-S86 VanDerWaalsContact O-N 3.13Å; V84-Y87 PolarHBondContact O-N 2.89Å; V84-A181 HydrophobicContact CG2-CB 4.32Å; V84-T184 HydrophobicContact CB-CG2 4.17Å; V84-T184 HydrophobicContact CG2-CG2 4Å; V84-M185 HydrophobicContact CB-CG 4.5Å; V84-M185 HydrophobicContact CG2-CG 3.86Å; V84-M185 HydrophobicContact CG2-SD 4.47Å |
| 85 | N | 95.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 15% | 0.15 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -69 | -8.4 | 178.4 | -67.8 | -54.1 | 0 | 0 | 0 | 113.9 | Q76 F77 P82 N83 Y87 A88 | Q76-N85 VanDerWaalsContact CA-OD1 3.23Å; Q76-N85 WeakPolarHBondContact CA-OD1 3.43Å; Q76-N85 WeakPolarHBondContact CB-OD1 3.24Å; Q76-N85 VanDerWaalsContact CD-CG 3.43Å; Q76-N85 PolarHBondContact OE1-ND2 3.37Å; F77-N85 PolarHBondContact N-OD1 3.24Å; P82-N85 VanDerWaalsContact O-CB 3.3Å; P82-N85 WeakPolarHBondContact O-CB 2.99Å; P82-N85 PolarHBondContact O-N 3.31Å; P82-N85 PolarHBondContact O-ND2 3.38Å; P82-N85 VanDerWaalsContact O-ND2 3.15Å; N83-N85 PolarHBondContact O-N 3.44Å; N85-Y87 PolarHBondContact O-N 3.14Å; N85-Y87 VanDerWaalsContact O-N 3.14Å; N85-A88 HydrophobicContact CB-CB 4.31Å; N85-A88 VanDerWaalsContact O-CB 3.23Å; N85-A88 WeakPolarHBondContact O-CB 3.38Å; N85-A88 PolarHBondContact O-N 3.19Å |
| 86 | S | 94.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -59.4 | -17.1 | 163 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | N83 V84 F89 R107 | N83-S86 WeakPolarHBondContact O-CB 3.4Å; N83-S86 PolarHBondContact O-N 3.09Å; N83-S86 VanDerWaalsContact O-N 3.16Å; N83-S86 PolarHBondContact O-OG 3.22Å; V84-S86 PolarHBondContact O-N 3.24Å; V84-S86 VanDerWaalsContact O-N 3.13Å; S86-F89 VanDerWaalsContact O-CE1 3.29Å; S86-F89 WeakPolarHBondContact O-CE1 3.22Å; S86-R107 PolarHBondContact OG-NH2 3.3Å |
| 87 | Y | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -104.9 | 4.9 | 173.1 | -58 | -76 | 0 | 0 | 0 | 113.6 | V84 N85 F89 V90 R107 A177 T180 A181 Q225 | V84-Y87 PolarHBondContact O-N 2.89Å; N85-Y87 PolarHBondContact O-N 3.14Å; N85-Y87 VanDerWaalsContact O-N 3.14Å; Y87-F89 HydrophobicContact CD1-CE1 4.36Å; Y87-F89 HydrophobicContact CD1-CZ 4.38Å; Y87-F89 PolarHBondContact O-N 3.3Å; Y87-V90 VanDerWaalsContact O-CG2 3.26Å; Y87-V90 WeakPolarHBondContact O-CG2 3.36Å; Y87-V90 PolarHBondContact O-N 2.93Å; Y87-R107 VanDerWaalsContact CZ-CZ 3.45Å; Y87-R107 PolarHBondContact OH-NH1 3.46Å; Y87-R107 PolarHBondContact OH-NH2 3.48Å; Y87-A177 HydrophobicContact CD1-CB 3.97Å; Y87-T180 HydrophobicContact CE1-CG2 4Å; Y87-T180 HydrophobicContact CE2-CG2 3.76Å; Y87-T180 VanDerWaalsContact OH-CG2 3.23Å; Y87-T180 WeakPolarHBondContact OH-CG2 3.32Å; Y87-A181 HydrophobicContact CD2-CB 4.3Å; Y87-A181 HydrophobicContact CG-CB 4.15Å; Y87-Q225 PolarHBondContact OH-OE1 3.08Å |
| 88 | A | 96.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -59.8 | -19.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T74 F77 N85 V90 N91 | T74-A88 HydrophobicContact CG2-CB 4.45Å; F77-A88 HydrophobicContact CD2-CB 4.49Å; F77-A88 HydrophobicContact CE2-CB 4.42Å; N85-A88 HydrophobicContact CB-CB 4.31Å; N85-A88 VanDerWaalsContact O-CB 3.23Å; N85-A88 WeakPolarHBondContact O-CB 3.38Å; N85-A88 PolarHBondContact O-N 3.19Å; A88-V90 PolarHBondContact O-N 3.36Å; A88-N91 WeakPolarHBondContact O-CB 3.27Å; A88-N91 PolarHBondContact O-N 2.94Å |
| 89 | F | 96.2 | Very high | 95.3 | Very high | 23 Ų | 23 | 46.8 Ų | 46.8 | 10% | 0.101 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -54.5 | -30.9 | 172.9 | 62.8 | -98.5 | 0 | 0 | 0 | 113.4 | F37 S86 Y87 N91 E92 F95 R107 A177 | F37-F89 HydrophobicContact CB-CB 3.6Å; F37-F89 HydrophobicContact CD1-CB 3.61Å; F37-F89 HydrophobicContact CD2-CB 3.48Å; F37-F89 VanDerWaalsContact CD2-CB 3.48Å; F37-F89 HydrophobicContact CD2-CG 4.4Å; F37-F89 HydrophobicContact CE1-CB 4.11Å; F37-F89 HydrophobicContact CE2-CB 4Å; F37-F89 HydrophobicContact CG-CB 3.26Å; F37-F89 HydrophobicContact CZ-CB 4.29Å; S86-F89 VanDerWaalsContact O-CE1 3.29Å; S86-F89 WeakPolarHBondContact O-CE1 3.22Å; Y87-F89 HydrophobicContact CD1-CE1 4.36Å; Y87-F89 HydrophobicContact CD1-CZ 4.38Å; Y87-F89 PolarHBondContact O-N 3.3Å; F89-N91 PolarHBondContact O-N 2.83Å; F89-E92 PolarHBondContact O-N 2.92Å; F89-E92 VanDerWaalsContact O-N 3.12Å; F89-F95 AromaticContact CD2-CD1 3.93Å; F89-F95 HydrophobicContact CD2-CD1 3.93Å; F89-F95 HydrophobicContact CD2-CD2 4.07Å; F89-F95 AromaticContact CD2-CE1 3.63Å; F89-F95 HydrophobicContact CD2-CE1 3.63Å; F89-F95 AromaticContact CD2-CE2 3.8Å; F89-F95 HydrophobicContact CD2-CE2 3.8Å; F89-F95 HydrophobicContact CD2-CG 4.13Å; F89-F95 AromaticContact CD2-CZ 3.56Å; F89-F95 HydrophobicContact CD2-CZ 3.56Å; F89-F95 AromaticContact CE2-CE1 3.79Å; F89-F95 HydrophobicContact CE2-CE1 3.79Å; F89-F95 HydrophobicContact CE2-CE2 4.15Å; F89-F95 AromaticContact CE2-CZ 3.57Å; F89-F95 HydrophobicContact CE2-CZ 3.57Å; F89-F95 VanDerWaalsContact O-CB 3.25Å; F89-F95 WeakPolarHBondContact O-CB 3.49Å; F89-R107 HydrophobicContact CE1-CG 4.49Å; F89-A177 HydrophobicContact CE2-CB 3.76Å; F89-A177 HydrophobicContact CZ-CB 3.56Å |
| 90 | V | 96.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -69.8 | -17.3 | 179.4 | -51.9 | 0 | 0 | 0 | 0 | 113.4 | F77 Y87 A88 E92 F95 A177 | F77-V90 HydrophobicContact CZ-CG2 3.87Å; Y87-V90 VanDerWaalsContact O-CG2 3.26Å; Y87-V90 WeakPolarHBondContact O-CG2 3.36Å; Y87-V90 PolarHBondContact O-N 2.93Å; A88-V90 PolarHBondContact O-N 3.36Å; V90-E92 VanDerWaalsContact C-N 3.26Å; V90-F95 HydrophobicContact CG1-CE1 4.23Å; V90-A177 HydrophobicContact CG1-CB 3.69Å |
| 91 | N | 95.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -77.2 | -14.5 | 175.1 | -67.1 | -26.1 | 0 | 0 | 0 | 112.3 | R75 F77 A88 F89 | R75-N91 PolarHBondContact NH2-O 3.49Å; R75-N91 PolarHBondContact O-ND2 2.99Å; F77-N91 WeakPolarHBondContact CE1-ND2 3.3Å; F77-N91 WeakPolarHBondContact CE1-OD1 3.37Å; F77-N91 WeakPolarHBondContact CZ-ND2 3.41Å; A88-N91 WeakPolarHBondContact O-CB 3.27Å; A88-N91 PolarHBondContact O-N 2.94Å; F89-N91 PolarHBondContact O-N 2.83Å |
| 92 | E | 95.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 50 Ų | 50 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | trans | -88.9 | 127.5 | -174.5 | -65 | -48.6 | 126.3 | 0 | 0 | 112.2 | F37 Q72 T74 R75 F89 V90 V94 F95 | F37-E92 HydrophobicContact CD1-CB 4.49Å; F37-E92 HydrophobicContact CD1-CG 4.32Å; F37-E92 HydrophobicContact CE1-CB 4.15Å; F37-E92 HydrophobicContact CE1-CG 4.46Å; Q72-E92 HydrophobicContact CG-CG 4.28Å; T74-E92 HydrophobicContact CG2-CG 3.94Å; R75-E92 WeakPolarHBondContact CB-OE1 3.29Å; R75-E92 WeakPolarHBondContact CG-OE1 3.41Å; R75-E92 PolarHBondContact N-OE1 3.11Å; R75-E92 IonicContact NE-OE1 3.61Å; R75-E92 PolarHBondContact NE-OE1 3.1Å; F89-E92 PolarHBondContact O-N 2.92Å; F89-E92 VanDerWaalsContact O-N 3.12Å; V90-E92 VanDerWaalsContact C-N 3.26Å; E92-V94 HydrophobicContact CB-CG1 3.96Å; E92-V94 PolarHBondContact O-N 3.25Å; E92-F95 HydrophobicContact CB-CB 4.43Å; E92-F95 WeakPolarHBondContact O-CB 3.44Å; E92-F95 PolarHBondContact O-N 2.03Å; E92-F95 VanDerWaalsContact O-N 3.1Å | ||
| 93 | K | 94.2 | Very high | 94.9 | Very high | 148 Ų | 148 | 52.6 Ų | 52.6 | 64% | 0.643 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.7 | -38.1 | 177.6 | -69.4 | -176.4 | 179.7 | 179.5 | 0 | 111.1 | F95 R96 R97 | K93-F95 VanDerWaalsContact C-N 3.27Å; K93-F95 PolarHBondContact O-N 2.97Å; K93-R96 PolarHBondContact O-N 2.99Å; K93-R97 WeakPolarHBondContact O-CG 3.37Å; K93-R97 PolarHBondContact O-N 2.92Å |
| 94 | V | 94.3 | Very high | 95 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 177.3 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | F37 M54 E55 Q72 E92 R96 R97 I98 | F37-V94 HydrophobicContact CE1-CG1 4.36Å; M54-V94 HydrophobicContact CB-CG2 4.19Å; M54-V94 HydrophobicContact CG-CG2 4.39Å; M54-V94 HydrophobicContact SD-CG2 4.39Å; E55-V94 HydrophobicContact CB-CG2 3.75Å; Q72-V94 HydrophobicContact CB-CG1 4.26Å; Q72-V94 HydrophobicContact CG-CG1 3.49Å; Q72-V94 VanDerWaalsContact CG-CG1 3.49Å; E92-V94 HydrophobicContact CB-CG1 3.96Å; E92-V94 PolarHBondContact O-N 3.25Å; V94-R96 VanDerWaalsContact C-N 3.31Å; V94-R96 PolarHBondContact O-N 3.49Å; V94-R97 PolarHBondContact O-N 3.06Å; V94-I98 HydrophobicContact CG2-CG2 3.88Å; V94-I98 WeakPolarHBondContact O-CG1 3.28Å; V94-I98 WeakPolarHBondContact O-CG2 3.48Å; V94-I98 PolarHBondContact O-N 2.98Å |
| 95 | F | 95.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.2 | -48.8 | 178.1 | 178.5 | -117 | 0 | 0 | 0 | 110.7 | F37 F89 V90 E92 K93 R97 I98 L99 L105 A174 | F37-F95 HydrophobicContact CE1-CB 3.97Å; F37-F95 AromaticContact CE2-CD2 3.91Å; F37-F95 HydrophobicContact CE2-CD2 3.91Å; F37-F95 HydrophobicContact CZ-CB 3.78Å; F37-F95 AromaticContact CZ-CD2 3.68Å; F37-F95 HydrophobicContact CZ-CD2 3.68Å; F37-F95 HydrophobicContact CZ-CG 4.14Å; F89-F95 AromaticContact CD2-CD1 3.93Å; F89-F95 HydrophobicContact CD2-CD1 3.93Å; F89-F95 HydrophobicContact CD2-CD2 4.07Å; F89-F95 AromaticContact CD2-CE1 3.63Å; F89-F95 HydrophobicContact CD2-CE1 3.63Å; F89-F95 AromaticContact CD2-CE2 3.8Å; F89-F95 HydrophobicContact CD2-CE2 3.8Å; F89-F95 HydrophobicContact CD2-CG 4.13Å; F89-F95 AromaticContact CD2-CZ 3.56Å; F89-F95 HydrophobicContact CD2-CZ 3.56Å; F89-F95 AromaticContact CE2-CE1 3.79Å; F89-F95 HydrophobicContact CE2-CE1 3.79Å; F89-F95 HydrophobicContact CE2-CE2 4.15Å; F89-F95 AromaticContact CE2-CZ 3.57Å; F89-F95 HydrophobicContact CE2-CZ 3.57Å; F89-F95 VanDerWaalsContact O-CB 3.25Å; F89-F95 WeakPolarHBondContact O-CB 3.49Å; V90-F95 HydrophobicContact CG1-CE1 4.23Å; E92-F95 HydrophobicContact CB-CB 4.43Å; E92-F95 WeakPolarHBondContact O-CB 3.44Å; E92-F95 PolarHBondContact O-N 2.03Å; E92-F95 VanDerWaalsContact O-N 3.1Å; K93-F95 VanDerWaalsContact C-N 3.27Å; K93-F95 PolarHBondContact O-N 2.97Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 2.89Å; F95-I98 WeakPolarHBondContact O-CG1 3.39Å; F95-I98 PolarHBondContact O-N 3.32Å; F95-L99 HydrophobicContact CD2-CD2 4.44Å; F95-L99 HydrophobicContact CE1-CD2 4.12Å; F95-L99 HydrophobicContact CE2-CD2 3.87Å; F95-L99 HydrophobicContact CZ-CD2 3.7Å; F95-L99 WeakPolarHBondContact O-CG 3.08Å; F95-L99 PolarHBondContact O-N 3.5Å; F95-L105 HydrophobicContact CE2-CD1 3.88Å; F95-L105 HydrophobicContact CZ-CD1 3.94Å; F95-A174 HydrophobicContact CE1-CB 3.69Å; F95-A174 HydrophobicContact CZ-CB 3.99Å |
| 96 | R | 93.8 | Very high | 95.2 | Very high | 172 Ų | 172 | 55.9 Ų | 55.9 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.6 | -34.2 | 177.5 | -64 | -170.9 | -177.1 | -179.5 | -0.2 | 113.7 | K93 V94 | K93-R96 PolarHBondContact O-N 2.99Å; V94-R96 VanDerWaalsContact C-N 3.31Å; V94-R96 PolarHBondContact O-N 3.49Å |
| 97 | R | 93.7 | Very high | 95.4 | Very high | 149 Ų | 149 | 54.6 Ų | 54.6 | 56% | 0.562 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -75.3 | -29.9 | -177.7 | -68.3 | 179.6 | 179 | -175.9 | -9.2 | 112.9 | E55 K93 V94 F95 P100 | E55-R97 VanDerWaalsContact CD-NH1 3.32Å; E55-R97 WeakPolarHBondContact OE1-CD 3.47Å; E55-R97 IonicContact OE1-CZ 3.75Å; E55-R97 IonicContact OE1-NE 3.84Å; E55-R97 IonicContact OE1-NH1 3.02Å; E55-R97 PolarHBondContact OE1-NH1 3.35Å; E55-R97 WeakPolarHBondContact OE2-CD 3.43Å; E55-R97 IonicContact OE2-CZ 3.71Å; E55-R97 IonicContact OE2-NE 3.86Å; E55-R97 IonicContact OE2-NH1 2.78Å; E55-R97 PolarHBondContact OE2-NH1 3.3Å; K93-R97 WeakPolarHBondContact O-CG 3.37Å; K93-R97 PolarHBondContact O-N 2.92Å; V94-R97 PolarHBondContact O-N 3.06Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 2.89Å; R97-P100 WeakPolarHBondContact O-CD 3.06Å |
| 98 | I | 93.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -87.7 | -15.2 | 179.9 | 68.1 | 163.9 | 0 | 0 | 0 | 112.7 | L35 F37 M54 L58 V94 F95 P100 L101 Y102 | L35-I98 HydrophobicContact CD1-CD1 3.72Å; L35-I98 HydrophobicContact CD2-CD1 4.43Å; F37-I98 HydrophobicContact CZ-CD1 4.5Å; M54-I98 HydrophobicContact CG-CD1 4.34Å; M54-I98 HydrophobicContact SD-CD1 3.57Å; M54-I98 VanDerWaalsContact SD-CD1 3.57Å; L58-I98 HydrophobicContact CD1-CB 3.95Å; L58-I98 HydrophobicContact CD1-CD1 4.26Å; L58-I98 HydrophobicContact CD1-CG2 3.53Å; V94-I98 HydrophobicContact CG2-CG2 3.88Å; V94-I98 WeakPolarHBondContact O-CG1 3.28Å; V94-I98 WeakPolarHBondContact O-CG2 3.48Å; V94-I98 PolarHBondContact O-N 2.98Å; F95-I98 WeakPolarHBondContact O-CG1 3.39Å; F95-I98 PolarHBondContact O-N 3.32Å; I98-P100 VanDerWaalsContact C-N 3.31Å; I98-L101 HydrophobicContact CB-CD1 4.39Å; I98-L101 VanDerWaalsContact O-CB 3.28Å; I98-L101 WeakPolarHBondContact O-CB 3.43Å; I98-L101 PolarHBondContact O-N 3.41Å; I98-Y102 HydrophobicContact CB-CE2 4.5Å; I98-Y102 HydrophobicContact CD1-CE2 4.22Å; I98-Y102 WeakPolarHBondContact O-CD2 3.23Å |
| 99 | L | 94 | Very high | 95.2 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -49.2 | -44.3 | 179.7 | -70.2 | 176.9 | 0 | 0 | 0 | 113.8 | F95 L101 Y102 L105 A174 | F95-L99 HydrophobicContact CD2-CD2 4.44Å; F95-L99 HydrophobicContact CE1-CD2 4.12Å; F95-L99 HydrophobicContact CE2-CD2 3.87Å; F95-L99 HydrophobicContact CZ-CD2 3.7Å; F95-L99 WeakPolarHBondContact O-CG 3.08Å; F95-L99 PolarHBondContact O-N 3.5Å; L99-L101 PolarHBondContact O-N 3.43Å; L99-L101 VanDerWaalsContact O-N 3.15Å; L99-Y102 PolarHBondContact O-N 2.96Å; L99-Y102 VanDerWaalsContact O-O 3.1Å; L99-L105 HydrophobicContact CD2-CD1 3.75Å; L99-A174 HydrophobicContact CD1-CB 3.51Å; L99-A174 HydrophobicContact CD2-CB 3.88Å; L99-A174 HydrophobicContact CG-CB 4.35Å |
| 100 | P | 93.1 | Very high | 95 | Very high | 108 Ų | 108 | 62 Ų | 62 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -68 | -11.4 | -179.6 | -19.7 | 34.6 | 0 | 0 | 0 | 114.4 | R97 I98 Y102 | R97-P100 WeakPolarHBondContact O-CD 3.06Å; I98-P100 VanDerWaalsContact C-N 3.31Å; P100-Y102 VanDerWaalsContact C-N 3.32Å |
| 101 | L | 92 | Very high | 94.9 | Very high | 60 Ų | 60 | 63.2 Ų | 63.2 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -85.6 | -9.2 | 178.8 | -51.2 | -178.6 | 0 | 0 | 0 | 112.5 | L58 V59 M62 I98 L99 | L58-L101 HydrophobicContact CB-CD1 3.76Å; L58-L101 HydrophobicContact CD1-CD1 4.39Å; V59-L101 HydrophobicContact CG2-CD1 4.39Å; M62-L101 HydrophobicContact SD-CB 4.4Å; M62-L101 HydrophobicContact SD-CD2 4.01Å; I98-L101 HydrophobicContact CB-CD1 4.39Å; I98-L101 VanDerWaalsContact O-CB 3.28Å; I98-L101 WeakPolarHBondContact O-CB 3.43Å; I98-L101 PolarHBondContact O-N 3.41Å; L99-L101 PolarHBondContact O-N 3.43Å; L99-L101 VanDerWaalsContact O-N 3.15Å |
| 102 | Y | 94.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | trans | -122.7 | 129.6 | -177.7 | -68.9 | -79.4 | 0 | 0 | 0 | 110.3 | D33 L35 L58 R65 I98 L99 P100 L105 S170 | D33-Y102 HydrophobicContact CB-CE1 4.05Å; D33-Y102 WeakPolarHBondContact CB-OH 3.35Å; D33-Y102 WeakPolarHBondContact OD2-CE1 3.42Å; D33-Y102 PolarHBondContact OD2-OH 3.48Å; L35-Y102 HydrophobicContact CD1-CD2 4.39Å; L35-Y102 HydrophobicContact CD1-CE2 3.88Å; L35-Y102 HydrophobicContact CD2-CE2 4.44Å; L58-Y102 HydrophobicContact CD1-CE2 4.3Å; L58-Y102 WeakPolarHBondContact CD2-OH 3.45Å; R65-Y102 PolarHBondContact NH2-OH 2.04Å; R65-Y102 VanDerWaalsContact NH2-OH 3.17Å; I98-Y102 HydrophobicContact CB-CE2 4.5Å; I98-Y102 HydrophobicContact CD1-CE2 4.22Å; I98-Y102 WeakPolarHBondContact O-CD2 3.23Å; L99-Y102 PolarHBondContact O-N 2.96Å; L99-Y102 VanDerWaalsContact O-O 3.1Å; P100-Y102 VanDerWaalsContact C-N 3.32Å; Y102-L105 HydrophobicContact CG-CD2 4.25Å; Y102-S170 VanDerWaalsContact C-OG 3.26Å; Y102-S170 WeakPolarHBondContact CB-OG 3.35Å; Y102-S170 VanDerWaalsContact O-CB 3.3Å; Y102-S170 WeakPolarHBondContact O-CB 3.34Å; Y102-S170 PolarHBondContact O-OG 3.17Å | ||
| 103 | D | 95 | Very high | 95 | Very high | 139 Ų | 139 | 60 Ų | 60 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -69.8 | -43.6 | 170.8 | -59.9 | -57.3 | 0 | 0 | 0 | 110.7 | E169 S170 | D103-E169 WeakPolarHBondContact O-CA 3.3Å; D103-S170 PolarHBondContact O-N 3.23Å; D103-S170 VanDerWaalsContact O-N 3.14Å; D103-S170 PolarHBondContact O-OG 3.31Å |
| 104 | Y | 97.5 | Very high | 95.2 | Very high | 113 Ų | 113 | 53.3 Ų | 53.3 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.2 | -175.5 | -57.1 | -76 | 0 | 0 | 0 | 112.1 | M123 G168 E169 S170 | Y104-M123 HydrophobicContact CD1-CB 4.48Å; Y104-M123 HydrophobicContact CD1-CG 3.66Å; Y104-M123 HydrophobicContact CE1-CB 3.8Å; Y104-M123 HydrophobicContact CE1-CG 3.47Å; Y104-M123 VanDerWaalsContact CE1-CG 3.47Å; Y104-M123 HydrophobicContact CE2-CG 4.47Å; Y104-M123 HydrophobicContact CG-CG 4.25Å; Y104-G168 CarbonylContact C-O 3.54Å; Y104-G168 VanDerWaalsContact CA-O 3.23Å; Y104-G168 WeakPolarHBondContact CA-O 3.17Å; Y104-E169 HydrophobicContact CD1-CG 4.44Å; Y104-E169 HydrophobicContact CE1-CG 4.06Å; Y104-S170 PolarHBondContact N-OG 2.93Å |
| 105 | L | 98.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135 | 171.3 | -66.1 | 175.9 | 0 | 0 | 0 | 110.3 | L35 F95 L99 Y102 L167 G168 I173 | L35-L105 HydrophobicContact CD1-CD2 4.31Å; F95-L105 HydrophobicContact CE2-CD1 3.88Å; F95-L105 HydrophobicContact CZ-CD1 3.94Å; L99-L105 HydrophobicContact CD2-CD1 3.75Å; Y102-L105 HydrophobicContact CG-CD2 4.25Å; L105-L167 WeakPolarHBondContact O-CA 3.47Å; L105-G168 PolarHBondContact N-O 2.94Å; L105-G168 PolarHBondContact O-N 3.42Å; L105-G168 VanDerWaalsContact O-N 3.15Å; L105-I173 HydrophobicContact CB-CB 4.16Å; L105-I173 HydrophobicContact CB-CG1 4.19Å; L105-I173 HydrophobicContact CB-CG2 3.98Å; L105-I173 HydrophobicContact CD1-CB 4.31Å; L105-I173 HydrophobicContact CD1-CG2 4.11Å |
| 106 | L | 98.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 23% | 0.225 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 110 | 164.4 | 177.4 | 58.9 | 0 | 0 | 0 | 108.8 | T108 L114 I118 T165 W166 L167 L246 | L106-T108 HydrophobicContact CG-CG2 4.47Å; L106-L114 HydrophobicContact CD2-CD2 3.53Å; L106-I118 HydrophobicContact CD2-CD1 4.07Å; L106-T165 HydrophobicContact CD1-CG2 3.68Å; L106-W166 CarbonylContact C-O 3.57Å; L106-W166 VanDerWaalsContact CA-O 3.3Å; L106-W166 WeakPolarHBondContact CA-O 3.48Å; L106-W166 WeakPolarHBondContact CD1-O 3.32Å; L106-L167 HydrophobicContact CB-CD1 4.09Å; L106-L167 HydrophobicContact CD1-CB 4.09Å; L106-L246 HydrophobicContact CD1-CD2 4.29Å |
| 107 | R | 97.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 45 Ų | 45 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.3 | 166.6 | -175.8 | -137.8 | 170.3 | -163.4 | 3.7 | 108.1 | S86 Y87 F89 S164 T165 W166 | S86-R107 PolarHBondContact OG-NH2 3.3Å; Y87-R107 VanDerWaalsContact CZ-CZ 3.45Å; Y87-R107 PolarHBondContact OH-NH1 3.46Å; Y87-R107 PolarHBondContact OH-NH2 3.48Å; F89-R107 HydrophobicContact CE1-CG 4.49Å; R107-S164 PolarHBondContact NH1-O 2.65Å; R107-T165 VanDerWaalsContact O-CA 3.31Å; R107-T165 WeakPolarHBondContact O-CA 3.47Å; R107-T165 WeakPolarHBondContact O-CG2 3.43Å; R107-W166 HydrophobicContact CB-CB 4.41Å; R107-W166 PolarHBondContact N-O 2.93Å; R107-W166 PolarHBondContact O-N 3.07Å |
| 108 | T | 96.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 26% | 0.258 | 21% | 0.207 | S | C | . | . | trans | -145.8 | 164.5 | -172.9 | 173 | 0 | 0 | 0 | 0 | 111.2 | V4 L106 H261 | V4-T108 HydrophobicContact CG2-CG2 4.1Å; L106-T108 HydrophobicContact CG-CG2 4.47Å; T108-H261 WeakPolarHBondContact CB-NE2 3.33Å; T108-H261 PolarHBondContact OG1-CD2 2.92Å; T108-H261 VanDerWaalsContact OG1-CD2 3.24Å; T108-H261 PolarHBondContact OG1-NE2 3.34Å | ||
| 109 | D | 93.3 | Very high | 95.3 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | trans | -89.1 | 155.4 | 175.5 | -64 | -48.4 | 0 | 0 | 0 | 112 | D111 S112 S164 H263 | D109-D111 WeakPolarHBondContact CB-OD1 3.33Å; D109-D111 PolarHBondContact O-N 3.28Å; D109-S112 WeakPolarHBondContact O-CB 3.23Å; D109-S112 PolarHBondContact O-N 3.02Å; D109-S164 PolarHBondContact OD2-OG 3.01Å; D109-H263 IonicContact OD2-CE1 2.77Å; D109-H263 PolarHBondContact OD2-CE1 2.84Å; D109-H263 VanDerWaalsContact OD2-CE1 3.24Å; D109-H263 IonicContact OD2-ND1 2.63Å; D109-H263 IonicContact OD2-NE2 3.83Å | ||
| 110 | V | 92.8 | Very high | 95.2 | Very high | 97 Ų | 97 | 40.7 Ų | 40.7 | 59% | 0.588 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -20.6 | -176.2 | -67.3 | 0 | 0 | 0 | 0 | 113.9 | T2 F3 V4 S112 | T2-V110 WeakPolarHBondContact CB-O 3.22Å; T2-V110 HydrophobicContact CG2-CB 3.84Å; T2-V110 HydrophobicContact CG2-CG1 4.17Å; F3-V110 PolarHBondContact N-O 2.85Å; V4-V110 PolarHBondContact N-O 3.02Å; V110-S112 VanDerWaalsContact C-N 3.31Å |
| 111 | D | 93.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 26.7 | 178.4 | 61.6 | -13 | 0 | 0 | 0 | 112.2 | F3 D109 H263 T264 K273 | F3-D111 HydrophobicContact CD2-CB 4.27Å; D109-D111 WeakPolarHBondContact CB-OD1 3.33Å; D109-D111 PolarHBondContact O-N 3.28Å; D111-H263 IonicContact OD1-CD2 3.49Å; D111-H263 IonicContact OD1-NE2 2.97Å; D111-T264 WeakPolarHBondContact CB-OG1 3.41Å; D111-T264 WeakPolarHBondContact O-CB 3.46Å; D111-T264 WeakPolarHBondContact O-CG2 3.06Å; D111-T264 PolarHBondContact O-N 3.33Å; D111-T264 PolarHBondContact O-OG1 3.33Å; D111-K273 HydrophobicContact CB-CD 4.22Å; D111-K273 IonicContact OD2-NZ 3.82Å; D111-K273 PolarHBondContact OD2-NZ 3.11Å |
| 112 | S | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 163.1 | 172.6 | -63.6 | 0 | 0 | 0 | 0 | 112 | F3 V4 D109 V110 H261 I262 | F3-S112 CarbonylContact C-O 3.41Å; F3-S112 VanDerWaalsContact CB-O 3.32Å; F3-S112 WeakPolarHBondContact CB-O 3.12Å; V4-S112 WeakPolarHBondContact CA-O 3.49Å; V4-S112 PolarHBondContact N-O 3.23Å; D109-S112 WeakPolarHBondContact O-CB 3.23Å; D109-S112 PolarHBondContact O-N 3.02Å; V110-S112 VanDerWaalsContact C-N 3.31Å; S112-H261 VanDerWaalsContact CB-NE2 3.25Å; S112-H261 WeakPolarHBondContact CB-NE2 3.32Å; S112-H261 PolarHBondContact OG-CE1 3.21Å; S112-H261 VanDerWaalsContact OG-CE1 3.29Å; S112-H261 PolarHBondContact OG-NE2 2.94Å; S112-I262 CarbonylContact C-O 3.51Å; S112-I262 WeakPolarHBondContact CA-O 3.25Å; S112-I262 VanDerWaalsContact CB-O 3.27Å; S112-I262 WeakPolarHBondContact CB-O 3.41Å |
| 113 | F | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.7 | 172.9 | -57.7 | -93.5 | 0 | 0 | 0 | 109.8 | F3 S7 H261 I262 T264 F271 Y310 C311 V314 A315 | F3-F113 HydrophobicContact CB-CD1 3.98Å; F3-F113 HydrophobicContact CB-CD2 4.47Å; F3-F113 HydrophobicContact CB-CE1 3.66Å; F3-F113 HydrophobicContact CB-CE2 4.19Å; F3-F113 HydrophobicContact CB-CG 4.37Å; F3-F113 HydrophobicContact CB-CZ 3.77Å; F3-F113 HydrophobicContact CD1-CE1 4.05Å; F3-F113 AromaticContact CD1-CZ 3.89Å; F3-F113 HydrophobicContact CD1-CZ 3.89Å; F3-F113 HydrophobicContact CD2-CE2 4.15Å; F3-F113 AromaticContact CD2-CZ 3.93Å; F3-F113 HydrophobicContact CD2-CZ 3.93Å; F3-F113 HydrophobicContact CE1-CZ 4.5Å; F3-F113 AromaticContact CG-CE1 3.89Å; F3-F113 HydrophobicContact CG-CE1 3.89Å; F3-F113 HydrophobicContact CG-CE2 4.17Å; F3-F113 AromaticContact CG-CZ 3.6Å; F3-F113 HydrophobicContact CG-CZ 3.6Å; S7-F113 WeakPolarHBondContact OG-CA 3.47Å; F113-H261 WeakPolarHBondContact O-CA 3.29Å; F113-I262 HydrophobicContact CB-CB 4.27Å; F113-I262 PolarHBondContact N-O 3.06Å; F113-I262 PolarHBondContact O-N 3.48Å; F113-T264 HydrophobicContact CD2-CG2 4.05Å; F113-T264 HydrophobicContact CE2-CG2 3.42Å; F113-T264 VanDerWaalsContact CE2-CG2 3.42Å; F113-T264 HydrophobicContact CZ-CG2 4.41Å; F113-F271 HydrophobicContact CE2-CD1 4.07Å; F113-F271 AromaticContact CE2-CE1 3.56Å; F113-F271 HydrophobicContact CE2-CE1 3.56Å; F113-F271 HydrophobicContact CE2-CZ 4.18Å; F113-F271 HydrophobicContact CZ-CD1 4.33Å; F113-F271 AromaticContact CZ-CE1 3.54Å; F113-F271 HydrophobicContact CZ-CE1 3.54Å; F113-F271 AromaticContact CZ-CZ 3.65Å; F113-F271 HydrophobicContact CZ-CZ 3.65Å; F113-Y310 HydrophobicContact CB-CE1 4.37Å; F113-C311 HydrophobicContact CD2-CB 4.08Å; F113-C311 HydrophobicContact CE1-CB 4.47Å; F113-C311 HydrophobicContact CE2-CB 3.71Å; F113-C311 HydrophobicContact CZ-CB 3.94Å; F113-V314 HydrophobicContact CD1-CB 3.86Å; F113-V314 HydrophobicContact CD1-CG1 3.63Å; F113-V314 HydrophobicContact CD1-CG2 4.44Å; F113-V314 HydrophobicContact CE1-CB 3.84Å; F113-V314 HydrophobicContact CE1-CG1 3.74Å; F113-A315 HydrophobicContact CE1-CB 4.35Å; F113-A315 HydrophobicContact CZ-CB 4.29Å |
| 114 | L | 97.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 146.9 | 164.5 | -59.4 | -178.2 | 0 | 0 | 0 | 109.6 | V4 S7 W8 I11 L106 I118 Y310 | V4-L114 HydrophobicContact CG2-CG 4.34Å; S7-L114 WeakPolarHBondContact CB-O 3.37Å; S7-L114 PolarHBondContact OG-N 2.88Å; W8-L114 HydrophobicContact CB-CD1 4.19Å; I11-L114 HydrophobicContact CD1-CB 4.01Å; L106-L114 HydrophobicContact CD2-CD2 3.53Å; L114-I118 HydrophobicContact CD2-CD1 4.43Å; L114-Y310 WeakPolarHBondContact O-CE1 3.43Å; L114-Y310 PolarHBondContact O-OH 3Å |
| 115 | S | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -104.9 | 167.4 | 172.1 | 78.6 | 0 | 0 | 0 | 0 | 111.6 | A117 I118 H259 I260 | S115-A117 PolarHBondContact O-N 3.33Å; S115-A117 VanDerWaalsContact OG-CB 3.3Å; S115-A117 WeakPolarHBondContact OG-CB 3.32Å; S115-A117 PolarHBondContact OG-N 3.34Å; S115-A117 VanDerWaalsContact OG-N 3.07Å; S115-I118 WeakPolarHBondContact O-CG2 3.49Å; S115-I118 PolarHBondContact O-N 2.93Å; S115-H259 WeakPolarHBondContact CB-O 3.23Å; S115-H259 PolarHBondContact OG-O 3.25Å; S115-I260 PolarHBondContact N-O 3.06Å; S115-I260 WeakPolarHBondContact OG-CA 3.5Å; S115-I260 PolarHBondContact OG-O 3.24Å | ||
| 116 | P | 95 | Very high | 94.7 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -63.7 | -19.8 | 170 | -17 | 28.4 | 0 | 0 | 0 | 114.2 | I11 I118 F119 L257 A302 | I11-P116 HydrophobicContact CG2-CG 4.01Å; P116-I118 PolarHBondContact O-N 2.9Å; P116-F119 HydrophobicContact CB-CD2 4.43Å; P116-F119 WeakPolarHBondContact O-CB 3.42Å; P116-F119 VanDerWaalsContact O-CD2 3.3Å; P116-F119 WeakPolarHBondContact O-CD2 3.34Å; P116-F119 PolarHBondContact O-N 3.49Å; P116-L257 HydrophobicContact CB-CD2 3.96Å; P116-L257 HydrophobicContact CG-CD2 4.17Å; P116-A302 HydrophobicContact CG-CB 3.59Å |
| 117 | A | 94 | Very high | 94.7 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 12% | 0.116 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -59.3 | -24 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S115 F119 H120 F121 L257 H259 I260 | S115-A117 PolarHBondContact O-N 3.33Å; S115-A117 VanDerWaalsContact OG-CB 3.3Å; S115-A117 WeakPolarHBondContact OG-CB 3.32Å; S115-A117 PolarHBondContact OG-N 3.34Å; S115-A117 VanDerWaalsContact OG-N 3.07Å; A117-F119 PolarHBondContact O-N 3Å; A117-F119 VanDerWaalsContact O-N 3.15Å; A117-H120 PolarHBondContact O-N 2.95Å; A117-H120 VanDerWaalsContact O-N 3.09Å; A117-F121 PolarHBondContact O-N 2.89Å; A117-F121 VanDerWaalsContact O-N 3.14Å; A117-L257 VanDerWaalsContact CB-O 3.3Å; A117-L257 WeakPolarHBondContact CB-O 3.35Å; A117-H259 VanDerWaalsContact CB-O 3.23Å; A117-H259 WeakPolarHBondContact CB-O 2.91Å; A117-I260 HydrophobicContact CB-CG1 4.45Å |
| 118 | I | 95.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -57.3 | -27.9 | 176.3 | -160.4 | 164.5 | 0 | 0 | 0 | 113 | I11 N30 V32 L106 L114 S115 P116 H120 I260 | I11-I118 HydrophobicContact CD1-CG2 3.78Å; N30-I118 PolarHBondContact ND2-O 3.46Å; V32-I118 HydrophobicContact CG1-CD1 4.07Å; V32-I118 HydrophobicContact CG2-CD1 4.4Å; V32-I118 HydrophobicContact CG2-CG1 4.21Å; V32-I118 HydrophobicContact CG2-CG2 4.05Å; L106-I118 HydrophobicContact CD2-CD1 4.07Å; L114-I118 HydrophobicContact CD2-CD1 4.43Å; S115-I118 WeakPolarHBondContact O-CG2 3.49Å; S115-I118 PolarHBondContact O-N 2.93Å; P116-I118 PolarHBondContact O-N 2.9Å; I118-H120 VanDerWaalsContact C-N 3.25Å; I118-H120 PolarHBondContact O-N 3.42Å; I118-I260 HydrophobicContact CB-CG2 3.89Å; I118-I260 HydrophobicContact CD1-CG2 4.06Å; I118-I260 HydrophobicContact CG1-CG2 3.86Å |
| 119 | F | 93 | Very high | 94.7 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -68.7 | -25 | 179.7 | -66.3 | -50.4 | 0 | 0 | 0 | 113.3 | I11 A15 Q18 L29 N30 V32 P116 A117 | I11-F119 HydrophobicContact CB-CE2 3.93Å; I11-F119 HydrophobicContact CB-CZ 4.12Å; I11-F119 HydrophobicContact CD1-CE2 4.48Å; I11-F119 HydrophobicContact CD1-CZ 4.2Å; I11-F119 HydrophobicContact CG1-CE2 4.31Å; I11-F119 HydrophobicContact CG1-CZ 4.02Å; I11-F119 VanDerWaalsContact O-CE2 3.27Å; I11-F119 WeakPolarHBondContact O-CE2 3.18Å; I11-F119 WeakPolarHBondContact O-CZ 3.28Å; A15-F119 HydrophobicContact CB-CE2 4.23Å; A15-F119 HydrophobicContact CB-CZ 4.16Å; Q18-F119 HydrophobicContact CG-CB 4.24Å; Q18-F119 HydrophobicContact CG-CD2 3.51Å; Q18-F119 HydrophobicContact CG-CE2 4.22Å; Q18-F119 HydrophobicContact CG-CG 4.22Å; L29-F119 WeakPolarHBondContact CA-O 3.42Å; L29-F119 HydrophobicContact CB-CB 4.48Å; L29-F119 HydrophobicContact CD2-CB 4.31Å; N30-F119 PolarHBondContact N-O 2.88Å; N30-F119 PolarHBondContact ND2-O 3.2Å; N30-F119 WeakPolarHBondContact O-CD1 3.34Å; V32-F119 HydrophobicContact CG2-CD1 4.14Å; V32-F119 HydrophobicContact CG2-CE1 4.17Å; P116-F119 HydrophobicContact CB-CD2 4.43Å; P116-F119 WeakPolarHBondContact O-CB 3.42Å; P116-F119 VanDerWaalsContact O-CD2 3.3Å; P116-F119 WeakPolarHBondContact O-CD2 3.34Å; P116-F119 PolarHBondContact O-N 3.49Å; A117-F119 PolarHBondContact O-N 3Å; A117-F119 VanDerWaalsContact O-N 3.15Å |
| 120 | H | 90.4 | Very high | 94.9 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 27% | 0.269 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -11 | -177.5 | -64.4 | -65.7 | 0 | 0 | 0 | 113.4 | Q18 L23 L29 A117 I118 Q122 | Q18-H120 PolarHBondContact OE1-CD2 2.81Å; Q18-H120 PolarHBondContact OE1-NE2 3.05Å; L23-H120 WeakPolarHBondContact CD2-CE1 3.1Å; L29-H120 WeakPolarHBondContact CD2-CE1 3.17Å; A117-H120 PolarHBondContact O-N 2.95Å; A117-H120 VanDerWaalsContact O-N 3.09Å; I118-H120 VanDerWaalsContact C-N 3.25Å; I118-H120 PolarHBondContact O-N 3.42Å; H120-Q122 PolarHBondContact O-N 3.37Å |
| 121 | F | 92.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 16% | 0.158 | 20% | 0.203 | C | C | . | . | trans | -62.5 | 136.6 | -175 | 178.6 | -108 | 0 | 0 | 0 | 112 | N30 A117 M123 I130 L167 L245 I260 | N30-F121 PolarHBondContact ND2-O 2.97Å; A117-F121 PolarHBondContact O-N 2.89Å; A117-F121 VanDerWaalsContact O-N 3.14Å; F121-M123 HydrophobicContact CE1-CG 3.93Å; F121-M123 HydrophobicContact CE1-SD 3.63Å; F121-M123 HydrophobicContact CZ-SD 3.98Å; F121-I130 HydrophobicContact CE1-CD1 4.35Å; F121-I130 HydrophobicContact CZ-CD1 3.75Å; F121-L167 HydrophobicContact CD1-CD2 3.61Å; F121-L167 HydrophobicContact CE1-CD2 3.28Å; F121-L167 HydrophobicContact CE1-CG 4.19Å; F121-L167 HydrophobicContact CZ-CD2 4.16Å; F121-L245 HydrophobicContact CE2-CD1 3.86Å; F121-I260 HydrophobicContact CB-CD1 3.82Å; F121-I260 HydrophobicContact CB-CG1 4.3Å; F121-I260 HydrophobicContact CD1-CD1 3.86Å; F121-I260 HydrophobicContact CD2-CD1 3.18Å; F121-I260 HydrophobicContact CD2-CG1 4.27Å; F121-I260 HydrophobicContact CE1-CD1 4.21Å; F121-I260 HydrophobicContact CE2-CD1 3.58Å; F121-I260 HydrophobicContact CG-CD1 3.3Å; F121-I260 HydrophobicContact CG-CG1 4.29Å; F121-I260 HydrophobicContact CZ-CD1 4.07Å | ||
| 122 | Q | 93.5 | Very high | 95.3 | Very high | 165 Ų | 165 | 40 Ų | 40 | 77% | 0.771 | 19% | 0.194 | S | C | * | . | trans | -121.6 | 129.1 | 172.7 | -65.1 | -175.6 | -7.3 | 0 | 0 | 108.8 | H120 | H120-Q122 PolarHBondContact O-N 3.37Š| ||
| 123 | M | 95 | Very high | 95.3 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | trans | -59.9 | 137.4 | 173.1 | -82.4 | -65.8 | -65.8 | 0 | 0 | 110.5 | Y104 F121 K125 M127 I130 L167 | Y104-M123 HydrophobicContact CD1-CB 4.48Å; Y104-M123 HydrophobicContact CD1-CG 3.66Å; Y104-M123 HydrophobicContact CE1-CB 3.8Å; Y104-M123 HydrophobicContact CE1-CG 3.47Å; Y104-M123 VanDerWaalsContact CE1-CG 3.47Å; Y104-M123 HydrophobicContact CE2-CG 4.47Å; Y104-M123 HydrophobicContact CG-CG 4.25Å; F121-M123 HydrophobicContact CE1-CG 3.93Å; F121-M123 HydrophobicContact CE1-SD 3.63Å; F121-M123 HydrophobicContact CZ-SD 3.98Å; M123-K125 PolarHBondContact O-N 3.07Å; M123-M127 WeakPolarHBondContact CE-O 3.2Å; M123-I130 HydrophobicContact CE-CG1 4.21Å; M123-I130 HydrophobicContact CE-CG2 4.17Å; M123-I130 HydrophobicContact SD-CD1 4.07Å; M123-I130 HydrophobicContact SD-CG1 3.97Å; M123-L167 HydrophobicContact SD-CD2 4.34Å; M123-L167 HydrophobicContact SD-CG 3.89Å | ||
| 124 | P | 95 | Very high | 95 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | trans | -57.7 | 129.6 | 172.2 | -21.1 | 30.8 | 0 | 0 | 0 | 110.6 | N126 M127 M242 | P124-N126 PolarHBondContact O-N 3.32Å; P124-M127 HydrophobicContact CB-CB 4.17Å; P124-M127 HydrophobicContact CB-CG 4.03Å; P124-M127 HydrophobicContact CB-SD 3.9Å; P124-M127 HydrophobicContact CG-SD 3.87Å; P124-M127 PolarHBondContact O-N 2.91Å; P124-M242 HydrophobicContact CG-CE 3.64Å; P124-M242 HydrophobicContact CG-SD 4.35Å | ||
| 125 | K | 91.4 | Very high | 94.7 | Very high | 212 Ų | 212 | 47.4 Ų | 47.4 | 92% | 0.922 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.4 | -171.2 | -66.5 | -176 | 179.2 | 179.9 | 0 | 115.4 | M123 | M123-K125 PolarHBondContact O-N 3.07Š|
| 126 | N | 92.8 | Very high | 94.6 | Very high | 147 Ų | 147 | 47.4 Ų | 47.4 | 79% | 0.786 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 15.2 | -176.5 | -60.2 | -23.1 | 0 | 0 | 0 | 112.7 | P124 Y240 | P124-N126 PolarHBondContact O-N 3.32Å; N126-Y240 PolarHBondContact O-OH 3.43Å |
| 127 | M | 97 | Very high | 94.6 | Very high | 33 Ų | 33 | 49 Ų | 49 | 16% | 0.163 | 25% | 0.248 | C | C | . | . | trans | -127.9 | 121.6 | -178.8 | -62.6 | -177 | 174.6 | 0 | 0 | 110.2 | M123 P124 I129 I130 D239 Y240 M242 | M123-M127 WeakPolarHBondContact CE-O 3.2Å; P124-M127 HydrophobicContact CB-CB 4.17Å; P124-M127 HydrophobicContact CB-CG 4.03Å; P124-M127 HydrophobicContact CB-SD 3.9Å; P124-M127 HydrophobicContact CG-SD 3.87Å; P124-M127 PolarHBondContact O-N 2.91Å; M127-I129 VanDerWaalsContact C-N 3.34Å; M127-I130 HydrophobicContact CB-CG2 4.27Å; M127-I130 HydrophobicContact SD-CG2 3.7Å; M127-D239 HydrophobicContact CE-CB 3.88Å; M127-Y240 HydrophobicContact CB-CE1 4.18Å; M127-Y240 HydrophobicContact CE-CD2 3.99Å; M127-Y240 HydrophobicContact CE-CE2 3.98Å; M127-Y240 HydrophobicContact CG-CE1 4.18Å; M127-Y240 HydrophobicContact CG-CE2 3.93Å; M127-Y240 HydrophobicContact SD-CD2 4.35Å; M127-Y240 HydrophobicContact SD-CE2 4.31Å; M127-M242 HydrophobicContact CE-CE 4.18Å; M127-M242 HydrophobicContact SD-CE 3.7Å | ||
| 128 | K | 96.6 | Very high | 94.8 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 37% | 0.37 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -81.1 | -19.6 | 176 | -60.9 | 176 | -172.3 | 125.8 | 0 | 112.9 | G168 E169 T172 E235 | K128-G168 CarbonylContact O-C 3.45Å; K128-G168 WeakPolarHBondContact O-CA 3.34Å; K128-E169 PolarHBondContact O-N 3.37Å; K128-T172 HydrophobicContact CB-CG2 4.14Å; K128-E235 IonicContact NZ-OE1 2.67Å; K128-E235 PolarHBondContact NZ-OE1 3.26Å; K128-E235 IonicContact NZ-OE2 3.63Å |
| 129 | I | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 145.2 | -178 | -171.4 | 169.8 | 0 | 0 | 0 | 108.9 | M127 W166 L167 T172 I173 L229 I233 Y240 | M127-I129 VanDerWaalsContact C-N 3.34Å; I129-W166 HydrophobicContact CD1-CB 4.15Å; I129-W166 HydrophobicContact CD1-CD2 4.14Å; I129-W166 HydrophobicContact CD1-CE3 4.2Å; I129-W166 HydrophobicContact CD1-CG 4.16Å; I129-W166 HydrophobicContact CG1-CB 4.46Å; I129-L167 CarbonylContact C-O 3.52Å; I129-L167 WeakPolarHBondContact CA-O 3.43Å; I129-T172 HydrophobicContact CB-CG2 4.18Å; I129-T172 HydrophobicContact CG2-CG2 4.41Å; I129-I173 HydrophobicContact CD1-CD1 3.63Å; I129-I173 HydrophobicContact CG1-CD1 3.94Å; I129-L229 HydrophobicContact CD1-CD2 3.89Å; I129-I233 HydrophobicContact CG2-CD1 4.07Å; I129-I233 HydrophobicContact CG2-CG1 4.07Å; I129-Y240 HydrophobicContact CG2-CD1 4.29Å; I129-Y240 HydrophobicContact CG2-CE1 4.37Å; I129-Y240 WeakPolarHBondContact O-CD1 3.28Å; I129-Y240 VanDerWaalsContact O-CE1 3.27Å; I129-Y240 WeakPolarHBondContact O-CE1 3.33Å |
| 130 | I | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.2 | 166.2 | 58.5 | 168 | 0 | 0 | 0 | 108.4 | F121 M123 M127 W166 L167 Y240 M242 L246 | F121-I130 HydrophobicContact CE1-CD1 4.35Å; F121-I130 HydrophobicContact CZ-CD1 3.75Å; M123-I130 HydrophobicContact CE-CG1 4.21Å; M123-I130 HydrophobicContact CE-CG2 4.17Å; M123-I130 HydrophobicContact SD-CD1 4.07Å; M123-I130 HydrophobicContact SD-CG1 3.97Å; M127-I130 HydrophobicContact CB-CG2 4.27Å; M127-I130 HydrophobicContact SD-CG2 3.7Å; I130-W166 WeakPolarHBondContact O-CA 3.26Å; I130-L167 HydrophobicContact CD1-CB 4.32Å; I130-L167 HydrophobicContact CD1-CD2 4.41Å; I130-L167 HydrophobicContact CG1-CB 3.91Å; I130-L167 WeakPolarHBondContact CG1-O 3.44Å; I130-L167 PolarHBondContact N-O 3.01Å; I130-L167 PolarHBondContact O-N 3.39Å; I130-Y240 WeakPolarHBondContact CA-O 3.26Å; I130-M242 HydrophobicContact CB-CG 4.19Å; I130-M242 HydrophobicContact CB-SD 4.24Å; I130-M242 HydrophobicContact CD1-CB 4.34Å; I130-M242 HydrophobicContact CD1-CG 4.33Å; I130-M242 HydrophobicContact CD1-SD 3.71Å; I130-M242 HydrophobicContact CG2-CE 4.02Å; I130-M242 HydrophobicContact CG2-CG 4.19Å; I130-M242 HydrophobicContact CG2-SD 3.85Å; I130-L246 HydrophobicContact CD1-CD1 3.83Å; I130-L246 HydrophobicContact CD1-CG 4.47Å; I130-L246 HydrophobicContact CG1-CD1 3.81Å |
| 131 | T | 98.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 158.8 | 178.8 | 74.6 | 0 | 0 | 0 | 0 | 111.4 | L162 T165 W166 L229 Y240 M242 | T131-L162 HydrophobicContact CG2-CD2 3.92Å; T131-L162 WeakPolarHBondContact OG1-CD2 3.39Å; T131-T165 CarbonylContact C-O 3.54Å; T131-T165 VanDerWaalsContact CA-O 3.27Å; T131-T165 WeakPolarHBondContact CA-O 3.45Å; T131-W166 HydrophobicContact CG2-CG 4.44Å; T131-L229 HydrophobicContact CG2-CD1 3.73Å; T131-Y240 PolarHBondContact N-O 3.47Å; T131-M242 PolarHBondContact O-N 3.18Å |
| 132 | G | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -168.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G163 T165 D247 | G132-G163 WeakPolarHBondContact O-CA 3.38Å; G132-G163 PolarHBondContact O-N 2.78Å; G132-T165 PolarHBondContact N-O 3.48Å; G132-D247 WeakPolarHBondContact CA-OD2 3.46Å |
| 133 | K | 94.6 | Very high | 95.8 | Very high | 122 Ų | 122 | 50.4 Ų | 50.4 | 53% | 0.53 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.2 | 179.2 | -177 | -178.4 | 176.7 | -172.7 | 0 | 110.8 | I241 W265 | K133-I241 HydrophobicContact CB-CG2 4.08Å; K133-I241 HydrophobicContact CG-CG2 4.43Å; K133-W265 VanDerWaalsContact O-CZ2 3.26Å; K133-W265 WeakPolarHBondContact O-CZ2 3.45Å |
| 134 | G | 93.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | trans | -88.1 | 150.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C161 | G134-C161 PolarHBondContact N-O 3.47Š| ||
| 135 | G | 90.5 | Very high | 96.1 | Very high | 33 Ų | 33 | 47.8 Ų | 47.8 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -98.3 | 9.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 136 | Y | 94.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -96.5 | 4.3 | -168.8 | 62.9 | -83.6 | 0 | 0 | 0 | 114.7 | S141 L145 C161 L162 M222 Y223 E226 | Y136-S141 PolarHBondContact O-OG 3.02Å; Y136-L145 HydrophobicContact CE2-CD1 4.1Å; Y136-C161 WeakPolarHBondContact OH-CA 3.47Å; Y136-C161 PolarHBondContact OH-N 2.89Å; Y136-L162 WeakPolarHBondContact CE1-O 3.39Å; Y136-L162 PolarHBondContact OH-N 3.29Å; Y136-L162 VanDerWaalsContact OH-N 3.11Å; Y136-L162 PolarHBondContact OH-O 2.97Å; Y136-M222 HydrophobicContact CD1-CB 4.1Å; Y136-M222 HydrophobicContact CD1-CE 3.08Å; Y136-M222 HydrophobicContact CE1-CB 4.05Å; Y136-M222 HydrophobicContact CE1-CE 3.67Å; Y136-M222 HydrophobicContact CG-CE 3.92Å; Y136-Y223 AromaticContact CD2-CD1 3.66Å; Y136-Y223 HydrophobicContact CD2-CD1 3.66Å; Y136-Y223 AromaticContact CD2-CE1 3.55Å; Y136-Y223 HydrophobicContact CD2-CE1 3.55Å; Y136-Y223 HydrophobicContact CE2-CD1 4Å; Y136-Y223 HydrophobicContact CE2-CE1 4.33Å; Y136-Y223 HydrophobicContact CG-CD1 4.45Å; Y136-Y223 HydrophobicContact CG-CE1 4.16Å; Y136-E226 WeakPolarHBondContact CE2-OE2 3.5Å; Y136-E226 WeakPolarHBondContact OH-CB 3.49Å; Y136-E226 PolarHBondContact OH-OE2 3.03Å | ||
| 137 | C | 95.2 | Very high | 96.7 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | trans | -87.2 | 119.6 | -173 | -79.9 | 0 | 0 | 0 | 0 | 112.6 | S141 T142 C161 | C137-S141 WeakPolarHBondContact CA-OG 3.2Å; C137-T142 HydrophobicContact CB-CG2 4.33Å; C137-C161 HydrophobicContact CB-CB 4Å; C137-C161 WeakPolarHBondContact CB-SG 3.49Å; C137-C161 WeakPolarHBondContact SG-CA 3.27Å; C137-C161 WeakPolarHBondContact SG-CB 3.5Å; C137-C161 PolarHBondContact SG-N 3.42Å; C137-C161 CovalentContact SG-SG 2Å; C137-C161 PolarHBondContact SG-SG 2.98Å | ||
| 138 | T | 96.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | trans | -128 | 172.5 | 166.3 | 76.5 | 0 | 0 | 0 | 0 | 109.3 | F140 S141 T142 P213 D214 | T138-F140 PolarHBondContact O-N 3.12Å; T138-F140 PolarHBondContact OG1-N 3.48Å; T138-F140 VanDerWaalsContact OG1-N 3.16Å; T138-S141 PolarHBondContact N-OG 3.05Å; T138-S141 PolarHBondContact O-N 3Å; T138-S141 PolarHBondContact O-OG 3.29Å; T138-S141 PolarHBondContact OG1-N 3.47Å; T138-T142 WeakPolarHBondContact O-CB 3.48Å; T138-T142 VanDerWaalsContact O-CG2 3.27Å; T138-T142 WeakPolarHBondContact O-CG2 3.48Å; T138-T142 PolarHBondContact O-N 3.07Å; T138-T142 VanDerWaalsContact O-N 3.16Å; T138-T142 PolarHBondContact O-OG1 2.47Å; T138-P213 HydrophobicContact CG2-CB 3.98Å; T138-P213 HydrophobicContact CG2-CG 3.63Å; T138-D214 WeakPolarHBondContact CB-OD1 3.46Å; T138-D214 WeakPolarHBondContact CG2-OD1 3.5Å; T138-D214 PolarHBondContact OG1-OD1 2.97Å | ||
| 139 | S | 97 | Very high | 96.8 | Very high | 87 Ų | 87 | 33 Ų | 33 | 61% | 0.608 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -59.5 | -27.1 | 172.5 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | T142 K143 | S139-T142 PolarHBondContact O-OG1 3.26Å; S139-K143 VanDerWaalsContact O-CD 3.31Å; S139-K143 WeakPolarHBondContact O-CD 3.35Å; S139-K143 VanDerWaalsContact O-CG 3.24Å; S139-K143 WeakPolarHBondContact O-CG 3.44Å |
| 140 | F | 97 | Very high | 96.8 | Very high | 39 Ų | 39 | 43 Ų | 43 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -78.2 | -55.2 | 176 | -175 | -92 | 0 | 0 | 0 | 111.7 | T138 T142 K143 R144 L200 Y203 D214 W215 | T138-F140 PolarHBondContact O-N 3.12Å; T138-F140 PolarHBondContact OG1-N 3.48Å; T138-F140 VanDerWaalsContact OG1-N 3.16Å; F140-T142 VanDerWaalsContact C-N 3.31Å; F140-T142 PolarHBondContact O-N 2.85Å; F140-K143 PolarHBondContact O-N 3.39Å; F140-R144 HydrophobicContact CD1-CB 4.46Å; F140-R144 HydrophobicContact CE1-CB 4.12Å; F140-R144 HydrophobicContact CE1-CG 4.29Å; F140-R144 WeakPolarHBondContact O-CB 3.47Å; F140-R144 PolarHBondContact O-N 3.14Å; F140-L200 HydrophobicContact CE1-CD2 4.06Å; F140-L200 HydrophobicContact CZ-CD2 3.67Å; F140-Y203 HydrophobicContact CD1-CE1 4.49Å; F140-Y203 HydrophobicContact CD1-CE2 4.21Å; F140-Y203 AromaticContact CD2-CE2 3.72Å; F140-Y203 HydrophobicContact CD2-CE2 3.72Å; F140-Y203 AromaticContact CD2-CZ 3.53Å; F140-Y203 WeakPolarHBondContact CD2-OH 3.31Å; F140-Y203 HydrophobicContact CE1-CD2 4.29Å; F140-Y203 AromaticContact CE1-CE2 3.94Å; F140-Y203 HydrophobicContact CE1-CE2 3.94Å; F140-Y203 HydrophobicContact CE2-CD2 4.36Å; F140-Y203 AromaticContact CE2-CE2 3.38Å; F140-Y203 HydrophobicContact CE2-CE2 3.38Å; F140-Y203 AromaticContact CE2-CZ 3.75Å; F140-Y203 HydrophobicContact CG-CE1 4.34Å; F140-Y203 HydrophobicContact CG-CE2 4.12Å; F140-Y203 AromaticContact CG-CZ 3.69Å; F140-Y203 WeakPolarHBondContact CG-OH 3.35Å; F140-Y203 HydrophobicContact CZ-CD2 4.06Å; F140-Y203 AromaticContact CZ-CE2 3.51Å; F140-Y203 HydrophobicContact CZ-CE2 3.51Å; F140-D214 HydrophobicContact CB-CB 4.5Å; F140-W215 HydrophobicContact CD1-CB 4.05Å; F140-W215 HydrophobicContact CE1-CB 3.71Å; F140-W215 HydrophobicContact CE1-CD2 4.19Å; F140-W215 HydrophobicContact CE1-CE3 4.33Å; F140-W215 AromaticContact CE1-CG 3.94Å; F140-W215 HydrophobicContact CE1-CG 3.94Å |
| 141 | S | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | -175 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | Y136 C137 T138 R144 L145 D214 | Y136-S141 PolarHBondContact O-OG 3.02Å; C137-S141 WeakPolarHBondContact CA-OG 3.2Å; T138-S141 PolarHBondContact N-OG 3.05Å; T138-S141 PolarHBondContact O-N 3Å; T138-S141 PolarHBondContact O-OG 3.29Å; T138-S141 PolarHBondContact OG1-N 3.47Å; S141-R144 PolarHBondContact O-N 3.48Å; S141-L145 WeakPolarHBondContact O-CB 3.36Å; S141-L145 VanDerWaalsContact O-CG 3.26Å; S141-L145 WeakPolarHBondContact O-CG 3.44Å; S141-L145 PolarHBondContact O-N 3.21Å; S141-D214 WeakPolarHBondContact CB-O 3.44Å |
| 142 | T | 97.7 | Very high | 96.7 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | C137 T138 S139 F140 L145 H146 H160 | C137-T142 HydrophobicContact CB-CG2 4.33Å; T138-T142 WeakPolarHBondContact O-CB 3.48Å; T138-T142 VanDerWaalsContact O-CG2 3.27Å; T138-T142 WeakPolarHBondContact O-CG2 3.48Å; T138-T142 PolarHBondContact O-N 3.07Å; T138-T142 VanDerWaalsContact O-N 3.16Å; T138-T142 PolarHBondContact O-OG1 2.47Å; S139-T142 PolarHBondContact O-OG1 3.26Å; F140-T142 VanDerWaalsContact C-N 3.31Å; F140-T142 PolarHBondContact O-N 2.85Å; T142-L145 PolarHBondContact O-N 3.23Å; T142-H146 PolarHBondContact O-N 3.38Å; T142-H160 HydrophobicContact CG2-CB 3.89Å; T142-H160 PolarHBondContact O-CE1 2.84Å |
| 143 | K | 97.7 | Very high | 96.8 | Very high | 141 Ų | 141 | 52.6 Ų | 52.6 | 61% | 0.613 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 174.9 | -72.3 | 176.4 | -173.1 | 174.3 | 0 | 111.6 | S139 F140 H146 Q147 | S139-K143 VanDerWaalsContact O-CD 3.31Å; S139-K143 WeakPolarHBondContact O-CD 3.35Å; S139-K143 VanDerWaalsContact O-CG 3.24Å; S139-K143 WeakPolarHBondContact O-CG 3.44Å; F140-K143 PolarHBondContact O-N 3.39Å; K143-H146 WeakPolarHBondContact O-CB 3.3Å; K143-H146 PolarHBondContact O-N 3.02Å; K143-Q147 WeakPolarHBondContact O-CG 3.41Å; K143-Q147 PolarHBondContact O-N 3.42Å |
| 144 | R | 97.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | -179.6 | -176.1 | 62.6 | -178.3 | 170.2 | -4.6 | 111.3 | F140 S141 H146 Q147 V148 R151 E191 Y197 E199 W215 | F140-R144 HydrophobicContact CD1-CB 4.46Å; F140-R144 HydrophobicContact CE1-CB 4.12Å; F140-R144 HydrophobicContact CE1-CG 4.29Å; F140-R144 WeakPolarHBondContact O-CB 3.47Å; F140-R144 PolarHBondContact O-N 3.14Å; S141-R144 PolarHBondContact O-N 3.48Å; R144-H146 VanDerWaalsContact C-N 3.32Å; R144-H146 PolarHBondContact O-N 3.26Å; R144-Q147 WeakPolarHBondContact O-CA 3.33Å; R144-Q147 WeakPolarHBondContact O-CB 3.41Å; R144-Q147 PolarHBondContact O-N 3.23Å; R144-V148 HydrophobicContact CG-CG2 4.43Å; R144-V148 VanDerWaalsContact O-CG2 3.31Å; R144-V148 WeakPolarHBondContact O-CG2 3.23Å; R144-V148 PolarHBondContact O-N 2.9Å; R144-R151 VanDerWaalsContact CZ-NH2 3.25Å; R144-E191 IonicContact NH2-OE2 3.25Å; R144-Y197 VanDerWaalsContact NH2-CD1 3.29Å; R144-E199 IonicContact CZ-OE1 2.69Å; R144-E199 IonicContact NH1-OE1 3.08Å; R144-E199 PolarHBondContact NH1-OE1 2.78Å; R144-E199 IonicContact NH2-OE1 2.82Å; R144-W215 HydrophobicContact CB-CE3 4.03Å; R144-W215 HydrophobicContact CB-CH2 4.11Å; R144-W215 HydrophobicContact CB-CZ3 3.77Å; R144-W215 HydrophobicContact CG-CD2 3.94Å; R144-W215 HydrophobicContact CG-CE3 3.79Å; R144-W215 HydrophobicContact CG-CH2 3.42Å; R144-W215 VanDerWaalsContact CG-CH2 3.42Å; R144-W215 HydrophobicContact CG-CZ2 3.55Å; R144-W215 HydrophobicContact CG-CZ3 3.53Å |
| 145 | L | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -38 | 176.7 | -70.9 | 168.4 | 0 | 0 | 0 | 112.3 | Y136 S141 T142 Q147 V148 A149 W215 Y223 E226 L227 | Y136-L145 HydrophobicContact CE2-CD1 4.1Å; S141-L145 WeakPolarHBondContact O-CB 3.36Å; S141-L145 VanDerWaalsContact O-CG 3.26Å; S141-L145 WeakPolarHBondContact O-CG 3.44Å; S141-L145 PolarHBondContact O-N 3.21Å; T142-L145 PolarHBondContact O-N 3.23Å; L145-Q147 VanDerWaalsContact C-N 3.34Å; L145-Q147 PolarHBondContact O-N 3.3Å; L145-V148 PolarHBondContact O-N 3.5Å; L145-A149 WeakPolarHBondContact O-CB 3.3Å; L145-A149 PolarHBondContact O-N 3.45Å; L145-W215 HydrophobicContact CD2-CH2 3.98Å; L145-W215 HydrophobicContact CD2-CZ3 4.22Å; L145-W215 HydrophobicContact CG-CH2 4.32Å; L145-W215 HydrophobicContact CG-CZ3 4.15Å; L145-Y223 HydrophobicContact CD1-CD1 4.03Å; L145-Y223 HydrophobicContact CD2-CD1 4.19Å; L145-Y223 HydrophobicContact CD2-CG 4.11Å; L145-E226 HydrophobicContact CD1-CG 4.44Å; L145-E226 WeakPolarHBondContact CD1-OE1 3.4Å; L145-L227 HydrophobicContact CB-CD2 4.28Å; L145-L227 HydrophobicContact CD2-CD1 4.44Å; L145-L227 HydrophobicContact CD2-CD2 4.17Å; L145-L227 HydrophobicContact CD2-CG 4.18Å |
| 146 | H | 98.3 | Very high | 97.6 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 33% | 0.333 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 170.2 | -92.7 | -72.5 | 0 | 0 | 0 | 113.1 | T142 K143 R144 R150 H156 H160 | T142-H146 PolarHBondContact O-N 3.38Å; K143-H146 WeakPolarHBondContact O-CB 3.3Å; K143-H146 PolarHBondContact O-N 3.02Å; R144-H146 VanDerWaalsContact C-N 3.32Å; R144-H146 PolarHBondContact O-N 3.26Å; H146-R150 WeakPolarHBondContact O-CB 3.4Å; H146-R150 PolarHBondContact O-N 3.5Å; H146-H156 AromaticContact CD2-ND1 3.85Å; H146-H156 AromaticContact CE1-CG 3.73Å; H146-H156 AromaticContact CE1-ND1 3.17Å; H146-H156 PolarHBondContact CE1-ND1 3.24Å; H146-H156 AromaticContact ND1-CG 3.81Å; H146-H156 AromaticContact ND1-ND1 3.68Å; H146-H156 AromaticContact NE2-CE1 3.9Å; H146-H156 AromaticContact NE2-ND1 3.25Å; H146-H156 PolarHBondContact NE2-ND1 2.95Å; H146-H160 AromaticContact CD2-CE1 3.56Å; H146-H160 AromaticContact CD2-NE2 3.63Å; H146-H160 AromaticContact NE2-CE1 3.7Å; H146-H160 AromaticContact NE2-NE2 3.48Å; H146-H160 PolarHBondContact NE2-NE2 3.07Å |
| 147 | Q | 97.8 | Very high | 97.7 | Very high | 92 Ų | 92 | 55.4 Ų | 55.4 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 176.8 | -64.1 | 171 | -1 | 0 | 0 | 111.7 | K143 R144 L145 R150 R151 | K143-Q147 WeakPolarHBondContact O-CG 3.41Å; K143-Q147 PolarHBondContact O-N 3.42Å; R144-Q147 WeakPolarHBondContact O-CA 3.33Å; R144-Q147 WeakPolarHBondContact O-CB 3.41Å; R144-Q147 PolarHBondContact O-N 3.23Å; L145-Q147 VanDerWaalsContact C-N 3.34Å; L145-Q147 PolarHBondContact O-N 3.3Å; Q147-R150 PolarHBondContact O-N 3.43Å; Q147-R151 WeakPolarHBondContact O-CG 3.29Å; Q147-R151 PolarHBondContact O-N 2.91Å |
| 148 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | R144 L145 R150 R151 L152 L187 E191 W215 L227 | R144-V148 HydrophobicContact CG-CG2 4.43Å; R144-V148 VanDerWaalsContact O-CG2 3.31Å; R144-V148 WeakPolarHBondContact O-CG2 3.23Å; R144-V148 PolarHBondContact O-N 2.9Å; L145-V148 PolarHBondContact O-N 3.5Å; V148-R150 VanDerWaalsContact C-N 3.3Å; V148-R150 PolarHBondContact O-N 3.09Å; V148-R151 PolarHBondContact O-N 3.21Å; V148-R151 VanDerWaalsContact O-N 3.13Å; V148-L152 HydrophobicContact CG1-CD1 3.78Å; V148-L152 HydrophobicContact CG1-CG 4.24Å; V148-L152 WeakPolarHBondContact O-CB 3.26Å; V148-L152 VanDerWaalsContact O-CG 3.32Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 2.87Å; V148-L187 HydrophobicContact CG1-CD2 3.63Å; V148-E191 HydrophobicContact CG1-CG 4.31Å; V148-E191 HydrophobicContact CG2-CG 4.42Å; V148-W215 HydrophobicContact CG2-CH2 4.37Å; V148-W215 HydrophobicContact CG2-CZ2 4.48Å; V148-L227 HydrophobicContact CB-CD1 4.41Å; V148-L227 HydrophobicContact CG1-CD1 3.64Å |
| 149 | A | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.4 | -48.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L145 R151 L152 G153 L154 H156 L227 | L145-A149 WeakPolarHBondContact O-CB 3.3Å; L145-A149 PolarHBondContact O-N 3.45Å; A149-R151 PolarHBondContact O-N 2.98Å; A149-L152 CarbonylContact O-C 3.23Å; A149-L152 PolarHBondContact O-N 2.62Å; A149-L152 VanDerWaalsContact O-N 3.16Å; A149-G153 PolarHBondContact O-N 2.92Å; A149-L154 HydrophobicContact CB-CB 4.17Å; A149-L154 PolarHBondContact O-N 3.18Å; A149-H156 HydrophobicContact CB-CB 3.74Å; A149-L227 HydrophobicContact CB-CD2 3.95Å |
| 150 | R | 98.2 | Very high | 98 | Very high | 211 Ų | 211 | 51.1 Ų | 51.1 | 80% | 0.796 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.7 | -45.5 | 177.7 | -170.7 | -176 | -57.9 | -172.8 | 0.7 | 112.5 | H146 Q147 V148 L152 G153 | H146-R150 WeakPolarHBondContact O-CB 3.4Å; H146-R150 PolarHBondContact O-N 3.5Å; Q147-R150 PolarHBondContact O-N 3.43Å; V148-R150 VanDerWaalsContact C-N 3.3Å; V148-R150 PolarHBondContact O-N 3.09Å; R150-L152 PolarHBondContact O-N 3.49Å; R150-G153 PolarHBondContact O-N 2.84Å |
| 151 | R | 97.4 | Very high | 98 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 39% | 0.389 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -33.1 | 177.7 | -76 | -167.9 | -61.2 | -87.5 | 0.4 | 112.5 | R144 Q147 V148 A149 E191 Y197 | R144-R151 VanDerWaalsContact CZ-NH2 3.25Å; Q147-R151 WeakPolarHBondContact O-CG 3.29Å; Q147-R151 PolarHBondContact O-N 2.91Å; V148-R151 PolarHBondContact O-N 3.21Å; V148-R151 VanDerWaalsContact O-N 3.13Å; A149-R151 PolarHBondContact O-N 2.98Å; R151-E191 IonicContact CZ-OE2 3.68Å; R151-E191 IonicContact NE-OE2 3.17Å; R151-E191 IonicContact NH2-OE2 3.93Å; R151-E191 PolarHBondContact NH2-OE2 2.89Å; R151-Y197 PolarHBondContact NE-OH 2.85Å |
| 152 | L | 97.8 | Very high | 98 | Very high | 32 Ų | 32 | 50.7 Ų | 50.7 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -88.4 | -3.3 | -178.5 | -63.1 | -172.9 | 0 | 0 | 0 | 113.5 | V148 A149 R150 L154 M183 R186 L187 | V148-L152 HydrophobicContact CG1-CD1 3.78Å; V148-L152 HydrophobicContact CG1-CG 4.24Å; V148-L152 WeakPolarHBondContact O-CB 3.26Å; V148-L152 VanDerWaalsContact O-CG 3.32Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 2.87Å; A149-L152 CarbonylContact O-C 3.23Å; A149-L152 PolarHBondContact O-N 2.62Å; A149-L152 VanDerWaalsContact O-N 3.16Å; R150-L152 PolarHBondContact O-N 3.49Å; L152-L154 VanDerWaalsContact C-N 3.3Å; L152-L154 HydrophobicContact CB-CD1 3.95Å; L152-L154 HydrophobicContact CB-CG 3.83Å; L152-L154 HydrophobicContact CD1-CD1 4.14Å; L152-M183 HydrophobicContact CD1-CE 4.16Å; L152-M183 HydrophobicContact CD1-SD 3.74Å; L152-R186 VanDerWaalsContact CD2-NH2 3.25Å; L152-L187 HydrophobicContact CD1-CD2 4.42Å |
| 153 | G | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 71% | 0.711 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 25.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A149 R150 | A149-G153 PolarHBondContact O-N 2.92Å; R150-G153 PolarHBondContact O-N 2.84Å |
| 154 | L | 98.6 | Very high | 97.8 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | trans | -93.8 | 150.6 | 179.3 | -54.8 | 174.5 | 0 | 0 | 0 | 111.2 | A149 L152 H156 M183 L227 D231 | A149-L154 HydrophobicContact CB-CB 4.17Å; A149-L154 PolarHBondContact O-N 3.18Å; L152-L154 VanDerWaalsContact C-N 3.3Å; L152-L154 HydrophobicContact CB-CD1 3.95Å; L152-L154 HydrophobicContact CB-CG 3.83Å; L152-L154 HydrophobicContact CD1-CD1 4.14Å; L154-H156 PolarHBondContact O-N 3.43Å; L154-M183 HydrophobicContact CD1-CE 3.62Å; L154-M183 HydrophobicContact CD2-CE 4.5Å; L154-L227 HydrophobicContact CD1-CB 4.14Å; L154-L227 HydrophobicContact CD1-CD1 4.46Å; L154-D231 WeakPolarHBondContact CA-OD1 3.45Å; L154-D231 HydrophobicContact CB-CB 4.33Å; L154-D231 HydrophobicContact CD2-CB 4.48Å | ||
| 155 | T | 98.5 | Very high | 97.9 | Very high | 76 Ų | 76 | 43.4 Ų | 43.4 | 47% | 0.466 | 22% | 0.223 | S | C | . | . | trans | -88.1 | 106.3 | 173.7 | -57 | 0 | 0 | 0 | 0 | 110.1 | R157 N230 D231 | T155-R157 HydrophobicContact CG2-CG 4.06Å; T155-N230 CarbonylContact O-C 3.1Å; T155-N230 VanDerWaalsContact O-C 3.23Å; T155-D231 PolarHBondContact N-OD1 3.15Å; T155-D231 VanDerWaalsContact O-CA 3.28Å; T155-D231 WeakPolarHBondContact O-CA 3.45Å; T155-D231 PolarHBondContact O-N 3.48Å | ||
| 156 | H | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.111 | 22% | 0.223 | C | C | . | . | trans | -90.9 | 109.6 | 171 | -162.3 | -78.9 | 0 | 0 | 0 | 110.8 | H146 A149 L154 G158 H160 E226 | H146-H156 AromaticContact CD2-ND1 3.85Å; H146-H156 AromaticContact CE1-CG 3.73Å; H146-H156 AromaticContact CE1-ND1 3.17Å; H146-H156 PolarHBondContact CE1-ND1 3.24Å; H146-H156 AromaticContact ND1-CG 3.81Å; H146-H156 AromaticContact ND1-ND1 3.68Å; H146-H156 AromaticContact NE2-CE1 3.9Å; H146-H156 AromaticContact NE2-ND1 3.25Å; H146-H156 PolarHBondContact NE2-ND1 2.95Å; A149-H156 HydrophobicContact CB-CB 3.74Å; L154-H156 PolarHBondContact O-N 3.43Å; H156-G158 PolarHBondContact ND1-N 3.44Å; H156-G158 VanDerWaalsContact ND1-N 3.19Å; H156-G158 PolarHBondContact O-N 3.24Å; H156-H160 AromaticContact CE1-CE1 3.19Å; H156-H160 PolarHBondContact CE1-CE1 3.45Å; H156-H160 AromaticContact CE1-ND1 3.48Å; H156-H160 PolarHBondContact CE1-ND1 2.87Å; H156-H160 AromaticContact CE1-NE2 3.89Å; H156-H160 AromaticContact ND1-CE1 3.93Å; H156-H160 AromaticContact NE2-CE1 3.85Å; H156-H160 AromaticContact NE2-ND1 3.9Å; H156-E226 IonicContact CE1-OE1 3.06Å; H156-E226 IonicContact NE2-OE1 2.72Å; H156-E226 PolarHBondContact NE2-OE1 2.94Å | ||
| 157 | R | 98 | Very high | 97.9 | Very high | 83 Ų | 83 | 40.5 Ų | 40.5 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | trans | -82.2 | 7.6 | -175.3 | -67.2 | 175.7 | 168.6 | 75.8 | -5.4 | 114.2 | T155 V159 N230 D231 I233 E234 I236 | T155-R157 HydrophobicContact CG2-CG 4.06Å; R157-V159 VanDerWaalsContact C-N 3.31Å; R157-V159 PolarHBondContact O-N 3.33Å; R157-N230 WeakPolarHBondContact CA-OD1 3.43Å; R157-N230 WeakPolarHBondContact CD-O 3.27Å; R157-N230 WeakPolarHBondContact CG-O 3.32Å; R157-N230 PolarHBondContact N-OD1 2.97Å; R157-N230 PolarHBondContact NH1-O 2.9Å; R157-D231 PolarHBondContact NH1-O 3.25Å; R157-I233 WeakPolarHBondContact CD-O 3.35Å; R157-E234 WeakPolarHBondContact CD-O 3.44Å; R157-E234 PolarHBondContact NE-O 3.31Å; R157-I236 HydrophobicContact CB-CG2 3.89Å; R157-I236 HydrophobicContact CG-CG2 4.3Å | ||
| 158 | G | 97.7 | Very high | 97.9 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 79.6 | 12.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | H156 N230 | H156-G158 PolarHBondContact ND1-N 3.44Å; H156-G158 VanDerWaalsContact ND1-N 3.19Å; H156-G158 PolarHBondContact O-N 3.24Å; G158-N230 PolarHBondContact N-OD1 2.98Å |
| 159 | V | 98.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | trans | -89 | 110.5 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 108 | R157 L162 N230 I236 I241 | R157-V159 VanDerWaalsContact C-N 3.31Å; R157-V159 PolarHBondContact O-N 3.33Å; V159-L162 HydrophobicContact CG1-CD1 4.23Å; V159-L162 HydrophobicContact CG1-CD2 4Å; V159-L162 HydrophobicContact CG1-CG 4.11Å; V159-N230 PolarHBondContact N-OD1 3.1Å; V159-N230 VanDerWaalsContact N-OD1 3.12Å; V159-N230 PolarHBondContact O-ND2 3.26Å; V159-N230 PolarHBondContact O-OD1 3.49Å; V159-I236 HydrophobicContact CB-CG1 4.46Å; V159-I236 HydrophobicContact CG1-CG1 4.4Å; V159-I236 HydrophobicContact CG2-CG1 4.22Å; V159-I236 HydrophobicContact CG2-CG2 4.12Å; V159-I241 HydrophobicContact CG1-CD1 3.98Å; V159-I241 HydrophobicContact CG1-CG1 4.43Å | ||
| 160 | H | 98.1 | Very high | 97.8 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | trans | -107.3 | 160.3 | -179 | -64.8 | -67.4 | 0 | 0 | 0 | 111 | T142 H146 H156 E226 I241 | T142-H160 HydrophobicContact CG2-CB 3.89Å; T142-H160 PolarHBondContact O-CE1 2.84Å; H146-H160 AromaticContact CD2-CE1 3.56Å; H146-H160 AromaticContact CD2-NE2 3.63Å; H146-H160 AromaticContact NE2-CE1 3.7Å; H146-H160 AromaticContact NE2-NE2 3.48Å; H146-H160 PolarHBondContact NE2-NE2 3.07Å; H156-H160 AromaticContact CE1-CE1 3.19Å; H156-H160 PolarHBondContact CE1-CE1 3.45Å; H156-H160 AromaticContact CE1-ND1 3.48Å; H156-H160 PolarHBondContact CE1-ND1 2.87Å; H156-H160 AromaticContact CE1-NE2 3.89Å; H156-H160 AromaticContact ND1-CE1 3.93Å; H156-H160 AromaticContact NE2-CE1 3.85Å; H156-H160 AromaticContact NE2-ND1 3.9Å; H160-E226 WeakPolarHBondContact CA-OE2 3.47Å; H160-E226 IonicContact CE1-OE1 3.31Å; H160-E226 IonicContact CG-OE1 2.94Å; H160-E226 IonicContact ND1-OE1 3.36Å; H160-E226 PolarHBondContact ND1-OE1 3.37Å; H160-I241 WeakPolarHBondContact O-CD1 3.48Å | ||
| 161 | C | 96.8 | Very high | 97.8 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | trans | 70.9 | 33 | 170.8 | -32 | 0 | 0 | 0 | 0 | 113.7 | G134 Y136 C137 G163 E226 | G134-C161 PolarHBondContact N-O 3.47Å; Y136-C161 WeakPolarHBondContact OH-CA 3.47Å; Y136-C161 PolarHBondContact OH-N 2.89Å; C137-C161 HydrophobicContact CB-CB 4Å; C137-C161 WeakPolarHBondContact CB-SG 3.49Å; C137-C161 WeakPolarHBondContact SG-CA 3.27Å; C137-C161 WeakPolarHBondContact SG-CB 3.5Å; C137-C161 PolarHBondContact SG-N 3.42Å; C137-C161 CovalentContact SG-SG 2Å; C137-C161 PolarHBondContact SG-SG 2.98Å; C161-G163 PolarHBondContact O-N 2.95Å; C161-E226 PolarHBondContact N-OE2 3.27Å | ||
| 162 | L | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124.9 | 173.2 | -69.8 | 156.7 | 0 | 0 | 0 | 109.3 | T131 Y136 V159 Q225 E226 L229 I236 I241 | T131-L162 HydrophobicContact CG2-CD2 3.92Å; T131-L162 WeakPolarHBondContact OG1-CD2 3.39Å; Y136-L162 WeakPolarHBondContact CE1-O 3.39Å; Y136-L162 PolarHBondContact OH-N 3.29Å; Y136-L162 VanDerWaalsContact OH-N 3.11Å; Y136-L162 PolarHBondContact OH-O 2.97Å; V159-L162 HydrophobicContact CG1-CD1 4.23Å; V159-L162 HydrophobicContact CG1-CD2 4Å; V159-L162 HydrophobicContact CG1-CG 4.11Å; L162-Q225 PolarHBondContact O-NE2 2.92Å; L162-E226 HydrophobicContact CD1-CB 4.4Å; L162-E226 HydrophobicContact CD1-CG 4.22Å; L162-L229 HydrophobicContact CB-CD1 4.3Å; L162-L229 HydrophobicContact CD1-CB 3.92Å; L162-L229 HydrophobicContact CD1-CD1 4.09Å; L162-L229 HydrophobicContact CD2-CD1 4.27Å; L162-L229 HydrophobicContact CG-CD1 4.46Å; L162-I236 HydrophobicContact CD1-CD1 3.99Å; L162-I236 HydrophobicContact CD2-CD1 4.12Å; L162-I241 HydrophobicContact CD2-CD1 4.25Å; L162-I241 HydrophobicContact CD2-CG1 3.78Å; L162-I241 HydrophobicContact CG-CD1 4.44Å; L162-I241 HydrophobicContact CG-CG1 4.46Å |
| 163 | G | 96.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 159.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G132 C161 T165 W166 Q225 | G132-G163 WeakPolarHBondContact O-CA 3.38Å; G132-G163 PolarHBondContact O-N 2.78Å; C161-G163 PolarHBondContact O-N 2.95Å; G163-T165 VanDerWaalsContact C-N 3.3Å; G163-W166 VanDerWaalsContact O-CD1 3.29Å; G163-W166 PolarHBondContact O-NE1 3.41Å; G163-Q225 PolarHBondContact O-NE2 2.85Å |
| 164 | S | 95.6 | Very high | 97.8 | Very high | 17 Ų | 17 | 27.2 Ų | 27.2 | 12% | 0.119 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -25.1 | 177.2 | 47.2 | 0 | 0 | 0 | 0 | 113 | R107 D109 Q225 | R107-S164 PolarHBondContact NH1-O 2.65Å; D109-S164 PolarHBondContact OD2-OG 3.01Å; S164-Q225 VanDerWaalsContact N-NE2 3.19Å |
| 165 | T | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 122.9 | 175 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | L106 R107 T131 G132 G163 L246 D247 H261 | L106-T165 HydrophobicContact CD1-CG2 3.68Å; R107-T165 VanDerWaalsContact O-CA 3.31Å; R107-T165 WeakPolarHBondContact O-CA 3.47Å; R107-T165 WeakPolarHBondContact O-CG2 3.43Å; T131-T165 CarbonylContact C-O 3.54Å; T131-T165 VanDerWaalsContact CA-O 3.27Å; T131-T165 WeakPolarHBondContact CA-O 3.45Å; G132-T165 PolarHBondContact N-O 3.48Å; G163-T165 VanDerWaalsContact C-N 3.3Å; T165-L246 HydrophobicContact CG2-CB 4.27Å; T165-L246 HydrophobicContact CG2-CD2 4.41Å; T165-D247 WeakPolarHBondContact CB-OD1 3.22Å; T165-D247 VanDerWaalsContact CB-OD2 3.24Å; T165-D247 WeakPolarHBondContact CB-OD2 3.47Å; T165-D247 PolarHBondContact N-OD2 3.06Å; T165-D247 VanDerWaalsContact OG1-CG 3.26Å; T165-D247 PolarHBondContact OG1-OD1 3.29Å; T165-D247 PolarHBondContact OG1-OD2 2.82Å; T165-H261 PolarHBondContact OG1-CE1 2.96Å; T165-H261 VanDerWaalsContact OG1-CE1 3.24Å |
| 166 | W | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.6 | -177.9 | -60.6 | -13.6 | 0 | 0 | 0 | 110.7 | L106 R107 I129 I130 T131 G163 I173 M176 A177 T180 Q225 L229 | L106-W166 CarbonylContact C-O 3.57Å; L106-W166 VanDerWaalsContact CA-O 3.3Å; L106-W166 WeakPolarHBondContact CA-O 3.48Å; L106-W166 WeakPolarHBondContact CD1-O 3.32Å; R107-W166 HydrophobicContact CB-CB 4.41Å; R107-W166 PolarHBondContact N-O 2.93Å; R107-W166 PolarHBondContact O-N 3.07Å; I129-W166 HydrophobicContact CD1-CB 4.15Å; I129-W166 HydrophobicContact CD1-CD2 4.14Å; I129-W166 HydrophobicContact CD1-CE3 4.2Å; I129-W166 HydrophobicContact CD1-CG 4.16Å; I129-W166 HydrophobicContact CG1-CB 4.46Å; I130-W166 WeakPolarHBondContact O-CA 3.26Å; T131-W166 HydrophobicContact CG2-CG 4.44Å; G163-W166 VanDerWaalsContact O-CD1 3.29Å; G163-W166 PolarHBondContact O-NE1 3.41Å; W166-I173 HydrophobicContact CB-CD1 3.58Å; W166-I173 HydrophobicContact CE3-CD1 4.22Å; W166-M176 HydrophobicContact CE3-CB 4.39Å; W166-M176 HydrophobicContact CH2-CB 3.82Å; W166-M176 HydrophobicContact CZ3-CB 3.52Å; W166-A177 HydrophobicContact CZ3-CB 4.45Å; W166-T180 WeakPolarHBondContact CH2-OG1 3.48Å; W166-Q225 HydrophobicContact CH2-CB 4.3Å; W166-Q225 HydrophobicContact CZ2-CB 3.57Å; W166-Q225 HydrophobicContact CZ2-CG 3.88Å; W166-L229 HydrophobicContact CH2-CD2 4.24Å; W166-L229 HydrophobicContact CH2-CG 4.4Å; W166-L229 HydrophobicContact CZ2-CD1 3.69Å; W166-L229 HydrophobicContact CZ2-CD2 4.09Å; W166-L229 HydrophobicContact CZ2-CG 3.88Å |
| 167 | L | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 26 Ų | 26 | 7% | 0.068 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.9 | 168.6 | 178.8 | 52.9 | 0 | 0 | 0 | 108.5 | L105 L106 F121 M123 I129 I130 L246 | L105-L167 WeakPolarHBondContact O-CA 3.47Å; L106-L167 HydrophobicContact CB-CD1 4.09Å; L106-L167 HydrophobicContact CD1-CB 4.09Å; F121-L167 HydrophobicContact CD1-CD2 3.61Å; F121-L167 HydrophobicContact CE1-CD2 3.28Å; F121-L167 HydrophobicContact CE1-CG 4.19Å; F121-L167 HydrophobicContact CZ-CD2 4.16Å; M123-L167 HydrophobicContact SD-CD2 4.34Å; M123-L167 HydrophobicContact SD-CG 3.89Å; I129-L167 CarbonylContact C-O 3.52Å; I129-L167 WeakPolarHBondContact CA-O 3.43Å; I130-L167 HydrophobicContact CD1-CB 4.32Å; I130-L167 HydrophobicContact CD1-CD2 4.41Å; I130-L167 HydrophobicContact CG1-CB 3.91Å; I130-L167 WeakPolarHBondContact CG1-O 3.44Å; I130-L167 PolarHBondContact N-O 3.01Å; I130-L167 PolarHBondContact O-N 3.39Å; L167-L246 HydrophobicContact CB-CD1 3.93Å |
| 168 | G | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y104 L105 K128 S170 | Y104-G168 CarbonylContact C-O 3.54Å; Y104-G168 VanDerWaalsContact CA-O 3.23Å; Y104-G168 WeakPolarHBondContact CA-O 3.17Å; L105-G168 PolarHBondContact N-O 2.94Å; L105-G168 PolarHBondContact O-N 3.42Å; L105-G168 VanDerWaalsContact O-N 3.15Å; K128-G168 CarbonylContact O-C 3.45Å; K128-G168 WeakPolarHBondContact O-CA 3.34Å; G168-S170 PolarHBondContact O-N 3.49Å |
| 169 | E | 98.1 | Very high | 97.9 | Very high | 77 Ų | 77 | 25.2 Ų | 25.2 | 36% | 0.36 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 137.3 | 178 | -63.1 | 173.1 | 164.4 | 0 | 0 | 110.2 | D103 Y104 K128 N171 T172 I173 | D103-E169 WeakPolarHBondContact O-CA 3.3Å; Y104-E169 HydrophobicContact CD1-CG 4.44Å; Y104-E169 HydrophobicContact CE1-CG 4.06Å; K128-E169 PolarHBondContact O-N 3.37Å; E169-N171 VanDerWaalsContact C-N 3.29Å; E169-N171 PolarHBondContact O-N 3.13Å; E169-T172 WeakPolarHBondContact O-CA 3.27Å; E169-T172 WeakPolarHBondContact O-CB 3.46Å; E169-T172 PolarHBondContact O-N 3.32Å; E169-T172 PolarHBondContact OE2-OG1 3.15Å; E169-I173 PolarHBondContact O-N 3.5Å |
| 170 | S | 97.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.8 | -43.1 | -172.6 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | Y102 D103 Y104 G168 A174 | Y102-S170 VanDerWaalsContact C-OG 3.26Å; Y102-S170 WeakPolarHBondContact CB-OG 3.35Å; Y102-S170 VanDerWaalsContact O-CB 3.3Å; Y102-S170 WeakPolarHBondContact O-CB 3.34Å; Y102-S170 PolarHBondContact O-OG 3.17Å; D103-S170 PolarHBondContact O-N 3.23Å; D103-S170 VanDerWaalsContact O-N 3.14Å; D103-S170 PolarHBondContact O-OG 3.31Å; Y104-S170 PolarHBondContact N-OG 2.93Å; G168-S170 PolarHBondContact O-N 3.49Å; S170-A174 WeakPolarHBondContact O-CB 3.2Å; S170-A174 PolarHBondContact O-N 3.19Å |
| 171 | N | 97.5 | Very high | 97.9 | Very high | 116 Ų | 116 | 23.4 Ų | 23.4 | 62% | 0.62 | 13% | 0.125 | S | C | * | . | H | α-helix | trans | -67.4 | -38.3 | 177.9 | -72.7 | -40.2 | 0 | 0 | 0 | 112.5 | E169 K175 | E169-N171 VanDerWaalsContact C-N 3.29Å; E169-N171 PolarHBondContact O-N 3.13Å; N171-K175 WeakPolarHBondContact O-CB 3.39Å; N171-K175 PolarHBondContact O-N 3.14Å |
| 172 | T | 98 | Very high | 98 | Very high | 19 Ų | 19 | 27.5 Ų | 27.5 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -49.9 | 176.9 | -64.4 | 0 | 0 | 0 | 0 | 110 | K128 I129 E169 A174 K175 M176 I233 | K128-T172 HydrophobicContact CB-CG2 4.14Å; I129-T172 HydrophobicContact CB-CG2 4.18Å; I129-T172 HydrophobicContact CG2-CG2 4.41Å; E169-T172 WeakPolarHBondContact O-CA 3.27Å; E169-T172 WeakPolarHBondContact O-CB 3.46Å; E169-T172 PolarHBondContact O-N 3.32Å; E169-T172 PolarHBondContact OE2-OG1 3.15Å; T172-A174 VanDerWaalsContact C-N 3.35Å; T172-A174 PolarHBondContact O-N 3.15Å; T172-K175 PolarHBondContact O-N 3.02Å; T172-M176 HydrophobicContact CG2-CG 4.27Å; T172-M176 WeakPolarHBondContact O-CB 3.43Å; T172-M176 VanDerWaalsContact O-CG 3.26Å; T172-M176 WeakPolarHBondContact O-CG 3.43Å; T172-M176 PolarHBondContact O-N 3.45Å; T172-I233 HydrophobicContact CG2-CD1 4.17Å |
| 173 | I | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 177 | -65.6 | -71.2 | 0 | 0 | 0 | 111.2 | L105 I129 W166 E169 K175 M176 A177 | L105-I173 HydrophobicContact CB-CB 4.16Å; L105-I173 HydrophobicContact CB-CG1 4.19Å; L105-I173 HydrophobicContact CB-CG2 3.98Å; L105-I173 HydrophobicContact CD1-CB 4.31Å; L105-I173 HydrophobicContact CD1-CG2 4.11Å; I129-I173 HydrophobicContact CD1-CD1 3.63Å; I129-I173 HydrophobicContact CG1-CD1 3.94Å; W166-I173 HydrophobicContact CB-CD1 3.58Å; W166-I173 HydrophobicContact CE3-CD1 4.22Å; E169-I173 PolarHBondContact O-N 3.5Å; I173-K175 PolarHBondContact O-N 3.23Å; I173-M176 PolarHBondContact O-N 3.38Å; I173-A177 WeakPolarHBondContact O-CB 3.41Å; I173-A177 PolarHBondContact O-N 3.13Å |
| 174 | A | 98.1 | Very high | 98.1 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F95 L99 S170 T172 T178 | F95-A174 HydrophobicContact CE1-CB 3.69Å; F95-A174 HydrophobicContact CZ-CB 3.99Å; L99-A174 HydrophobicContact CD1-CB 3.51Å; L99-A174 HydrophobicContact CD2-CB 3.88Å; L99-A174 HydrophobicContact CG-CB 4.35Å; S170-A174 WeakPolarHBondContact O-CB 3.2Å; S170-A174 PolarHBondContact O-N 3.19Å; T172-A174 VanDerWaalsContact C-N 3.35Å; T172-A174 PolarHBondContact O-N 3.15Å; A174-T178 PolarHBondContact O-N 3.4Å; A174-T178 PolarHBondContact O-OG1 2.63Å |
| 175 | K | 98.3 | Very high | 98.2 | Very high | 109 Ų | 109 | 29.7 Ų | 29.7 | 47% | 0.474 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.9 | -49.8 | 176.5 | -173.9 | -171.6 | 168.1 | -166.8 | 0 | 110.4 | N171 T172 I173 A177 T178 L179 Q232 | N171-K175 WeakPolarHBondContact O-CB 3.39Å; N171-K175 PolarHBondContact O-N 3.14Å; T172-K175 PolarHBondContact O-N 3.02Å; I173-K175 PolarHBondContact O-N 3.23Å; K175-A177 PolarHBondContact O-N 3.48Å; K175-T178 PolarHBondContact O-N 3.46Å; K175-L179 HydrophobicContact CG-CD1 4.28Å; K175-L179 WeakPolarHBondContact O-CG 3.43Å; K175-L179 PolarHBondContact O-N 3.44Å; K175-L179 VanDerWaalsContact O-N 3.13Å; K175-Q232 VanDerWaalsContact CE-OE1 3.31Å |
| 176 | M | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | -177.3 | -66.4 | -52.7 | 96.8 | 0 | 0 | 111.2 | W166 T172 I173 T178 L179 T180 V228 L229 Q232 I233 | W166-M176 HydrophobicContact CE3-CB 4.39Å; W166-M176 HydrophobicContact CH2-CB 3.82Å; W166-M176 HydrophobicContact CZ3-CB 3.52Å; T172-M176 HydrophobicContact CG2-CG 4.27Å; T172-M176 WeakPolarHBondContact O-CB 3.43Å; T172-M176 VanDerWaalsContact O-CG 3.26Å; T172-M176 WeakPolarHBondContact O-CG 3.43Å; T172-M176 PolarHBondContact O-N 3.45Å; I173-M176 PolarHBondContact O-N 3.38Å; M176-T178 VanDerWaalsContact C-N 3.3Å; M176-T178 PolarHBondContact O-N 3.42Å; M176-L179 HydrophobicContact CE-CD1 4.08Å; M176-L179 PolarHBondContact O-N 3.42Å; M176-T180 WeakPolarHBondContact O-CB 3.35Å; M176-T180 PolarHBondContact O-N 2.77Å; M176-T180 PolarHBondContact O-OG1 3.23Å; M176-V228 HydrophobicContact SD-CG1 3.89Å; M176-L229 HydrophobicContact CB-CD2 4.17Å; M176-L229 HydrophobicContact CG-CD2 3.77Å; M176-L229 HydrophobicContact SD-CD2 3.99Å; M176-Q232 HydrophobicContact CE-CB 3.62Å; M176-Q232 HydrophobicContact CE-CG 3.97Å; M176-Q232 HydrophobicContact SD-CB 3.58Å; M176-Q232 VanDerWaalsContact SD-CB 3.58Å; M176-Q232 HydrophobicContact SD-CG 4.13Å; M176-I233 HydrophobicContact SD-CD1 4.16Å; M176-I233 HydrophobicContact SD-CG1 4.48Å |
| 177 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y87 F89 V90 W166 I173 K175 T180 A181 | Y87-A177 HydrophobicContact CD1-CB 3.97Å; F89-A177 HydrophobicContact CE2-CB 3.76Å; F89-A177 HydrophobicContact CZ-CB 3.56Å; V90-A177 HydrophobicContact CG1-CB 3.69Å; W166-A177 HydrophobicContact CZ3-CB 4.45Å; I173-A177 WeakPolarHBondContact O-CB 3.41Å; I173-A177 PolarHBondContact O-N 3.13Å; K175-A177 PolarHBondContact O-N 3.48Å; A177-T180 PolarHBondContact O-N 2.86Å; A177-A181 WeakPolarHBondContact O-CB 3.28Å; A177-A181 PolarHBondContact O-N 3.16Å |
| 178 | T | 98.3 | Very high | 98.2 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -48.6 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | A174 K175 M176 A181 Q182 | A174-T178 PolarHBondContact O-N 3.4Å; A174-T178 PolarHBondContact O-OG1 2.63Å; K175-T178 PolarHBondContact O-N 3.46Å; M176-T178 VanDerWaalsContact C-N 3.3Å; M176-T178 PolarHBondContact O-N 3.42Å; T178-A181 PolarHBondContact O-N 3.25Å; T178-Q182 WeakPolarHBondContact O-CG 3.37Å; T178-Q182 PolarHBondContact O-N 3.37Å |
| 179 | L | 98.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 178.8 | -67.3 | 175.3 | 0 | 0 | 0 | 111.4 | K175 M176 A181 Q182 M183 V228 Q232 | K175-L179 HydrophobicContact CG-CD1 4.28Å; K175-L179 WeakPolarHBondContact O-CG 3.43Å; K175-L179 PolarHBondContact O-N 3.44Å; K175-L179 VanDerWaalsContact O-N 3.13Å; M176-L179 HydrophobicContact CE-CD1 4.08Å; M176-L179 PolarHBondContact O-N 3.42Å; L179-A181 PolarHBondContact O-N 2.78Å; L179-Q182 PolarHBondContact O-N 3.49Å; L179-M183 WeakPolarHBondContact O-CB 3.23Å; L179-M183 PolarHBondContact O-N 3.16Å; L179-V228 HydrophobicContact CB-CG1 3.73Å; L179-V228 HydrophobicContact CB-CG2 4.09Å; L179-V228 HydrophobicContact CD1-CG1 4.4Å; L179-Q232 HydrophobicContact CD1-CG 3.73Å |
| 180 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 177.6 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | Y87 W166 M176 A177 Q182 M183 T184 A224 Q225 | Y87-T180 HydrophobicContact CE1-CG2 4Å; Y87-T180 HydrophobicContact CE2-CG2 3.76Å; Y87-T180 VanDerWaalsContact OH-CG2 3.23Å; Y87-T180 WeakPolarHBondContact OH-CG2 3.32Å; W166-T180 WeakPolarHBondContact CH2-OG1 3.48Å; M176-T180 WeakPolarHBondContact O-CB 3.35Å; M176-T180 PolarHBondContact O-N 2.77Å; M176-T180 PolarHBondContact O-OG1 3.23Å; A177-T180 PolarHBondContact O-N 2.86Å; T180-Q182 VanDerWaalsContact C-N 3.32Å; T180-Q182 PolarHBondContact O-N 3.38Å; T180-M183 PolarHBondContact O-N 2.97Å; T180-T184 WeakPolarHBondContact O-CB 3.45Å; T180-T184 PolarHBondContact O-N 3.44Å; T180-T184 PolarHBondContact O-OG1 3.42Å; T180-A224 HydrophobicContact CG2-CB 4.18Å; T180-Q225 HydrophobicContact CG2-CB 3.61Å |
| 181 | A | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F77 V84 Y87 A177 T178 L179 T184 M185 | F77-A181 HydrophobicContact CE1-CB 4.26Å; F77-A181 HydrophobicContact CE2-CB 4.03Å; F77-A181 HydrophobicContact CZ-CB 3.61Å; V84-A181 HydrophobicContact CG2-CB 4.32Å; Y87-A181 HydrophobicContact CD2-CB 4.3Å; Y87-A181 HydrophobicContact CG-CB 4.15Å; A177-A181 WeakPolarHBondContact O-CB 3.28Å; A177-A181 PolarHBondContact O-N 3.16Å; T178-A181 PolarHBondContact O-N 3.25Å; L179-A181 PolarHBondContact O-N 2.78Å; A181-T184 WeakPolarHBondContact O-CB 3.18Å; A181-T184 PolarHBondContact O-N 3.13Å; A181-M185 PolarHBondContact O-N 3.46Å |
| 182 | Q | 98.1 | Very high | 98 | Very high | 114 Ų | 114 | 34.8 Ų | 34.8 | 53% | 0.533 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 177.7 | -66.3 | 173.6 | -0.2 | 0 | 0 | 112 | T178 L179 T180 T184 M185 R186 | T178-Q182 WeakPolarHBondContact O-CG 3.37Å; T178-Q182 PolarHBondContact O-N 3.37Å; L179-Q182 PolarHBondContact O-N 3.49Å; T180-Q182 VanDerWaalsContact C-N 3.32Å; T180-Q182 PolarHBondContact O-N 3.38Å; Q182-T184 VanDerWaalsContact C-N 3.3Å; Q182-T184 PolarHBondContact O-N 3.31Å; Q182-M185 PolarHBondContact O-N 3.07Å; Q182-R186 PolarHBondContact O-N 2.94Å |
| 183 | M | 98.6 | Very high | 97.9 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -39 | 177.9 | -174.8 | 59.3 | 66.1 | 0 | 0 | 111.3 | L152 L154 L179 T180 M185 R186 L187 A224 L227 V228 | L152-M183 HydrophobicContact CD1-CE 4.16Å; L152-M183 HydrophobicContact CD1-SD 3.74Å; L154-M183 HydrophobicContact CD1-CE 3.62Å; L154-M183 HydrophobicContact CD2-CE 4.5Å; L179-M183 WeakPolarHBondContact O-CB 3.23Å; L179-M183 PolarHBondContact O-N 3.16Å; T180-M183 PolarHBondContact O-N 2.97Å; M183-M185 PolarHBondContact O-N 2.99Å; M183-R186 PolarHBondContact O-N 3.42Å; M183-L187 HydrophobicContact CG-CD1 4.36Å; M183-L187 HydrophobicContact CG-CG 4.19Å; M183-L187 WeakPolarHBondContact O-CG 3.41Å; M183-L187 PolarHBondContact O-N 2.98Å; M183-L187 HydrophobicContact SD-CD2 4.18Å; M183-L187 HydrophobicContact SD-CG 4.21Å; M183-A224 HydrophobicContact CB-CB 3.87Å; M183-A224 HydrophobicContact CG-CB 3.71Å; M183-L227 HydrophobicContact CG-CD1 4.45Å; M183-L227 HydrophobicContact SD-CD1 4.32Å; M183-V228 HydrophobicContact CB-CG2 3.88Å; M183-V228 HydrophobicContact CG-CG2 4.25Å |
| 184 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.5 | -51 | 177.8 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | Y81 V84 T180 A181 Q182 R186 L187 F188 S221 A224 | Y81-T184 HydrophobicContact CD1-CG2 3.52Å; Y81-T184 HydrophobicContact CE1-CG2 3.32Å; V84-T184 HydrophobicContact CB-CG2 4.17Å; V84-T184 HydrophobicContact CG2-CG2 4Å; T180-T184 WeakPolarHBondContact O-CB 3.45Å; T180-T184 PolarHBondContact O-N 3.44Å; T180-T184 PolarHBondContact O-OG1 3.42Å; A181-T184 WeakPolarHBondContact O-CB 3.18Å; A181-T184 PolarHBondContact O-N 3.13Å; Q182-T184 VanDerWaalsContact C-N 3.3Å; Q182-T184 PolarHBondContact O-N 3.31Å; T184-R186 VanDerWaalsContact C-N 3.35Å; T184-R186 PolarHBondContact O-N 3.24Å; T184-L187 PolarHBondContact O-N 2.76Å; T184-F188 WeakPolarHBondContact O-CB 3.43Å; T184-F188 PolarHBondContact O-N 3.3Å; T184-S221 WeakPolarHBondContact OG1-CA 3.48Å; T184-A224 VanDerWaalsContact OG1-CB 3.27Å; T184-A224 WeakPolarHBondContact OG1-CB 3.49Å |
| 185 | M | 98.3 | Very high | 97.7 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 20% | 0.197 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 177.6 | -68.4 | -174.7 | -70.8 | 0 | 0 | 110.8 | F77 H79 V84 A181 Q182 M183 L187 F188 D189 | F77-M185 HydrophobicContact CB-SD 4.31Å; F77-M185 HydrophobicContact CD1-CE 4.03Å; F77-M185 HydrophobicContact CD1-SD 4.2Å; F77-M185 HydrophobicContact CE1-CE 4.34Å; F77-M185 HydrophobicContact CG-SD 4.44Å; H79-M185 HydrophobicContact CB-CG 4.27Å; H79-M185 HydrophobicContact CB-SD 3.96Å; H79-M185 VanDerWaalsContact CD2-CG 3.44Å; H79-M185 WeakPolarHBondContact CD2-CG 3.37Å; H79-M185 VanDerWaalsContact CD2-SD 3.58Å; H79-M185 VanDerWaalsContact NE2-CB 3.34Å; H79-M185 WeakPolarHBondContact NE2-CB 3.48Å; V84-M185 HydrophobicContact CB-CG 4.5Å; V84-M185 HydrophobicContact CG2-CG 3.86Å; V84-M185 HydrophobicContact CG2-SD 4.47Å; A181-M185 PolarHBondContact O-N 3.46Å; Q182-M185 PolarHBondContact O-N 3.07Å; M183-M185 PolarHBondContact O-N 2.99Å; M185-L187 PolarHBondContact O-N 3.34Å; M185-F188 PolarHBondContact O-N 2.94Å; M185-D189 PolarHBondContact O-N 3.48Å; M185-D189 VanDerWaalsContact O-N 3.12Å |
| 186 | R | 97.5 | Very high | 97.5 | Very high | 134 Ų | 134 | 47.3 Ų | 47.3 | 51% | 0.506 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.2 | -46 | 178.9 | -173.9 | 177 | -174.9 | 173.3 | 2.9 | 112.8 | L152 Q182 M183 T184 N190 | L152-R186 VanDerWaalsContact CD2-NH2 3.25Å; Q182-R186 PolarHBondContact O-N 2.94Å; M183-R186 PolarHBondContact O-N 3.42Å; T184-R186 VanDerWaalsContact C-N 3.35Å; T184-R186 PolarHBondContact O-N 3.24Å; R186-N190 WeakPolarHBondContact O-CB 3.41Å; R186-N190 PolarHBondContact O-N 2.94Å; R186-N190 PolarHBondContact O-ND2 3.48Å |
| 187 | L | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -47 | 178.8 | -67.4 | -171.7 | 0 | 0 | 0 | 111.2 | V148 L152 M183 T184 M185 D189 N190 E191 F192 A224 L227 | V148-L187 HydrophobicContact CG1-CD2 3.63Å; L152-L187 HydrophobicContact CD1-CD2 4.42Å; M183-L187 HydrophobicContact CG-CD1 4.36Å; M183-L187 HydrophobicContact CG-CG 4.19Å; M183-L187 WeakPolarHBondContact O-CG 3.41Å; M183-L187 PolarHBondContact O-N 2.98Å; M183-L187 HydrophobicContact SD-CD2 4.18Å; M183-L187 HydrophobicContact SD-CG 4.21Å; T184-L187 PolarHBondContact O-N 2.76Å; M185-L187 PolarHBondContact O-N 3.34Å; L187-D189 VanDerWaalsContact C-N 3.26Å; L187-D189 PolarHBondContact O-N 3.35Å; L187-N190 PolarHBondContact O-N 3.43Å; L187-E191 HydrophobicContact CD2-CB 4.27Å; L187-E191 HydrophobicContact CD2-CG 3.58Å; L187-E191 WeakPolarHBondContact O-CB 3.35Å; L187-E191 PolarHBondContact O-N 2.86Å; L187-F192 WeakPolarHBondContact O-CD2 3.44Å; L187-F192 WeakPolarHBondContact O-CE2 3.25Å; L187-A224 HydrophobicContact CD1-CB 3.85Å; L187-L227 HydrophobicContact CD1-CD1 3.94Å; L187-L227 HydrophobicContact CD2-CD1 3.95Å; L187-L227 HydrophobicContact CG-CD1 4.46Å |
| 188 | F | 98 | Very high | 97.3 | Very high | 12 Ų | 12 | 51 Ų | 51 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -38.8 | -177.5 | -175.4 | -93.8 | 0 | 0 | 0 | 112.8 | H79 Y81 T184 M185 R217 | H79-F188 AromaticContact CE1-CD1 3.75Å; Y81-F188 HydrophobicContact CD1-CB 4.49Å; Y81-F188 HydrophobicContact CD1-CD2 4.09Å; Y81-F188 HydrophobicContact CD1-CG 4.35Å; Y81-F188 AromaticContact CD2-CD2 3.43Å; Y81-F188 HydrophobicContact CD2-CD2 3.43Å; Y81-F188 VanDerWaalsContact CD2-CD2 3.43Å; Y81-F188 AromaticContact CD2-CE2 3.16Å; Y81-F188 HydrophobicContact CD2-CE2 3.16Å; Y81-F188 HydrophobicContact CD2-CG 4.26Å; Y81-F188 AromaticContact CD2-CZ 3.77Å; Y81-F188 HydrophobicContact CD2-CZ 3.77Å; Y81-F188 AromaticContact CE2-CD2 3.97Å; Y81-F188 HydrophobicContact CE2-CD2 3.97Å; Y81-F188 AromaticContact CE2-CE2 3.84Å; Y81-F188 HydrophobicContact CE2-CE2 3.84Å; Y81-F188 HydrophobicContact CG-CB 4.45Å; Y81-F188 HydrophobicContact CG-CD1 4.34Å; Y81-F188 AromaticContact CG-CD2 3.47Å; Y81-F188 HydrophobicContact CG-CD2 3.47Å; Y81-F188 VanDerWaalsContact CG-CD2 3.47Å; Y81-F188 HydrophobicContact CG-CE1 4.39Å; Y81-F188 AromaticContact CG-CE2 3.6Å; Y81-F188 HydrophobicContact CG-CE2 3.6Å; Y81-F188 AromaticContact CG-CG 3.85Å; Y81-F188 HydrophobicContact CG-CG 3.85Å; Y81-F188 HydrophobicContact CG-CZ 4.03Å; T184-F188 WeakPolarHBondContact O-CB 3.43Å; T184-F188 PolarHBondContact O-N 3.3Å; M185-F188 PolarHBondContact O-N 2.94Å; F188-R217 HydrophobicContact CD2-CG 3.82Å; F188-R217 VanDerWaalsContact CE1-CZ 3.4Å; F188-R217 HydrophobicContact CE2-CG 3.78Å; F188-R217 VanDerWaalsContact CE2-CZ 3.47Å; F188-R217 PolarHBondContact O-NE 3.29Å |
| 189 | D | 96.5 | Very high | 97.2 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -79.6 | -29.5 | -178.3 | -71.6 | -8.1 | 0 | 0 | 0 | 113.3 | H79 M185 L187 | H79-D189 IonicContact CE1-OD1 2.72Å; H79-D189 PolarHBondContact CE1-OD1 3.04Å; H79-D189 VanDerWaalsContact CE1-OD1 3.22Å; H79-D189 IonicContact CE1-OD2 3.65Å; H79-D189 IonicContact NE2-OD1 2.84Å; H79-D189 PolarHBondContact NE2-OD1 3.36Å; H79-D189 IonicContact NE2-OD2 4Å; H79-D189 PolarHBondContact NE2-OD2 3.07Å; H79-D189 VanDerWaalsContact NE2-OD2 3.17Å; M185-D189 PolarHBondContact O-N 3.48Å; M185-D189 VanDerWaalsContact O-N 3.12Å; L187-D189 VanDerWaalsContact C-N 3.26Å; L187-D189 PolarHBondContact O-N 3.35Å |
| 190 | N | 96.4 | Very high | 97.1 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 35% | 0.348 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -118.8 | -30.5 | -165.1 | -64.8 | -84.8 | 0 | 0 | 0 | 114.8 | R186 L187 Y197 | R186-N190 WeakPolarHBondContact O-CB 3.41Å; R186-N190 PolarHBondContact O-N 2.94Å; R186-N190 PolarHBondContact O-ND2 3.48Å; L187-N190 PolarHBondContact O-N 3.43Å; N190-Y197 VanDerWaalsContact O-CE2 3.27Å; N190-Y197 WeakPolarHBondContact O-CE2 3.41Å |
| 191 | E | 96.9 | Very high | 97 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 6.6 | -164 | -63.5 | -56.9 | 134.8 | 0 | 0 | 114.8 | R144 V148 R151 L187 Y197 L200 W215 | R144-E191 IonicContact NH2-OE2 3.25Å; V148-E191 HydrophobicContact CG1-CG 4.31Å; V148-E191 HydrophobicContact CG2-CG 4.42Å; R151-E191 IonicContact CZ-OE2 3.68Å; R151-E191 IonicContact NE-OE2 3.17Å; R151-E191 IonicContact NH2-OE2 3.93Å; R151-E191 PolarHBondContact NH2-OE2 2.89Å; L187-E191 HydrophobicContact CD2-CB 4.27Å; L187-E191 HydrophobicContact CD2-CG 3.58Å; L187-E191 WeakPolarHBondContact O-CB 3.35Å; L187-E191 PolarHBondContact O-N 2.86Å; E191-Y197 PolarHBondContact OE1-OH 3.31Å; E191-Y197 WeakPolarHBondContact OE2-CE2 3.4Å; E191-Y197 PolarHBondContact OE2-OH 3.18Å; E191-L200 WeakPolarHBondContact O-CD1 3.43Å; E191-W215 HydrophobicContact CB-CZ2 4.42Å; E191-W215 PolarHBondContact O-NE1 2.78Å |
| 192 | F | 97.2 | Very high | 96.9 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 4.9 | 177.1 | -57.4 | -84.5 | 0 | 0 | 0 | 113.1 | L187 T194 F204 W215 R217 S220 Y223 | L187-F192 WeakPolarHBondContact O-CD2 3.44Å; L187-F192 WeakPolarHBondContact O-CE2 3.25Å; F192-T194 PolarHBondContact O-N 3.07Å; F192-F204 HydrophobicContact CB-CE1 4.41Å; F192-F204 HydrophobicContact CB-CZ 3.93Å; F192-F204 AromaticContact CD1-CZ 3.92Å; F192-F204 HydrophobicContact CD1-CZ 3.92Å; F192-F204 HydrophobicContact CG-CZ 4.41Å; F192-W215 AromaticContact CD1-CD1 3.42Å; F192-W215 VanDerWaalsContact CD1-CD1 3.42Å; F192-W215 HydrophobicContact CD1-CG 4.32Å; F192-W215 AromaticContact CD1-NE1 3.27Å; F192-W215 VanDerWaalsContact CD1-NE1 3.27Å; F192-W215 AromaticContact CE1-CD1 3.57Å; F192-W215 HydrophobicContact CE1-CD2 4.16Å; F192-W215 AromaticContact CE1-CE2 3.71Å; F192-W215 HydrophobicContact CE1-CG 4.08Å; F192-W215 HydrophobicContact CE1-CZ2 4.32Å; F192-W215 AromaticContact CE1-NE1 3.33Å; F192-W215 VanDerWaalsContact CE1-NE1 3.33Å; F192-W215 HydrophobicContact CZ-CZ2 4.43Å; F192-R217 HydrophobicContact CB-CG 4.32Å; F192-R217 HydrophobicContact CD1-CB 3.66Å; F192-R217 HydrophobicContact CD1-CG 4.12Å; F192-R217 HydrophobicContact CD2-CB 4.15Å; F192-R217 HydrophobicContact CD2-CG 3.69Å; F192-R217 HydrophobicContact CE1-CB 3.81Å; F192-R217 HydrophobicContact CE1-CG 4.37Å; F192-R217 HydrophobicContact CE2-CB 4.3Å; F192-R217 HydrophobicContact CE2-CG 3.99Å; F192-R217 HydrophobicContact CG-CB 3.83Å; F192-R217 HydrophobicContact CG-CG 3.76Å; F192-R217 HydrophobicContact CZ-CB 4.13Å; F192-R217 HydrophobicContact CZ-CG 4.31Å; F192-S220 WeakPolarHBondContact CE2-OG 3.48Å; F192-S220 WeakPolarHBondContact CZ-OG 3.4Å; F192-Y223 HydrophobicContact CE1-CE2 4.05Å; F192-Y223 AromaticContact CZ-CD2 3.89Å; F192-Y223 HydrophobicContact CZ-CD2 3.89Å; F192-Y223 AromaticContact CZ-CE2 3.84Å; F192-Y223 HydrophobicContact CZ-CE2 3.84Å |
| 193 | D | 95.4 | Very high | 96.9 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | trans | -72.8 | 108.7 | 178.8 | -179.7 | -7.5 | 0 | 0 | 0 | 111.2 | K195 K196 Y197 | D193-K195 VanDerWaalsContact C-N 3.27Å; D193-K195 PolarHBondContact O-N 3.3Å; D193-K195 WeakPolarHBondContact OD1-CA 3.25Å; D193-K195 VanDerWaalsContact OD1-CB 3.25Å; D193-K195 WeakPolarHBondContact OD1-CB 3.38Å; D193-K195 PolarHBondContact OD1-N 3.46Å; D193-K196 HydrophobicContact CB-CB 3.92Å; D193-K196 PolarHBondContact O-N 3.09Å; D193-K196 PolarHBondContact OD1-N 3.39Å; D193-Y197 WeakPolarHBondContact O-CB 3.49Å; D193-Y197 PolarHBondContact O-N 3.4Å | ||
| 194 | T | 96.2 | Very high | 96.8 | Very high | 42 Ų | 42 | 59.1 Ų | 59.1 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.4 | 179.7 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | F192 P198 L200 F204 | F192-T194 PolarHBondContact O-N 3.07Å; T194-P198 WeakPolarHBondContact O-CA 3.35Å; T194-L200 HydrophobicContact CG2-CB 4.11Å; T194-F204 HydrophobicContact CG2-CB 4.04Å; T194-F204 HydrophobicContact CG2-CD1 4.39Å; T194-F204 HydrophobicContact CG2-CD2 3.81Å; T194-F204 HydrophobicContact CG2-CE2 4.4Å; T194-F204 HydrophobicContact CG2-CG 3.81Å |
| 195 | K | 95.7 | Very high | 96.6 | Very high | 181 Ų | 181 | 65.4 Ų | 65.4 | 79% | 0.787 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -45.3 | 168.9 | -61.6 | 179.8 | 179.5 | 176.3 | 0 | 109.8 | D193 | D193-K195 VanDerWaalsContact C-N 3.27Å; D193-K195 PolarHBondContact O-N 3.3Å; D193-K195 WeakPolarHBondContact OD1-CA 3.25Å; D193-K195 VanDerWaalsContact OD1-CB 3.25Å; D193-K195 WeakPolarHBondContact OD1-CB 3.38Å; D193-K195 PolarHBondContact OD1-N 3.46Å |
| 196 | K | 96.1 | Very high | 96.5 | Very high | 111 Ų | 111 | 71.3 Ų | 71.3 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -35.3 | 176.7 | -172.7 | 178.5 | 179.2 | -174.6 | 0 | 112.5 | D193 | D193-K196 HydrophobicContact CB-CB 3.92Å; D193-K196 PolarHBondContact O-N 3.09Å; D193-K196 PolarHBondContact OD1-N 3.39Å |
| 197 | Y | 96.3 | Very high | 96.4 | Very high | 18 Ų | 18 | 68.1 Ų | 68.1 | 7% | 0.071 | 34% | 0.338 | C | S | . | . | trans | -125.7 | 79 | -178.9 | -54.9 | -62.1 | 0 | 0 | 0 | 110.4 | R144 R151 N190 E191 D193 E199 L200 | R144-Y197 VanDerWaalsContact NH2-CD1 3.29Å; R151-Y197 PolarHBondContact NE-OH 2.85Å; N190-Y197 VanDerWaalsContact O-CE2 3.27Å; N190-Y197 WeakPolarHBondContact O-CE2 3.41Å; E191-Y197 PolarHBondContact OE1-OH 3.31Å; E191-Y197 WeakPolarHBondContact OE2-CE2 3.4Å; E191-Y197 PolarHBondContact OE2-OH 3.18Å; D193-Y197 WeakPolarHBondContact O-CB 3.49Å; D193-Y197 PolarHBondContact O-N 3.4Å; Y197-E199 VanDerWaalsContact CA-OE2 3.25Å; Y197-E199 WeakPolarHBondContact CA-OE2 3.24Å; Y197-E199 PolarHBondContact O-N 2.85Å; Y197-E199 VanDerWaalsContact O-N 3.1Å; Y197-L200 HydrophobicContact CD2-CD1 4.21Å; Y197-L200 HydrophobicContact CG-CD1 4.39Å; Y197-L200 WeakPolarHBondContact O-CB 3.27Å; Y197-L200 PolarHBondContact O-N 3.16Å | ||
| 198 | P | 96.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 74.6 Ų | 74.6 | 40% | 0.403 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -57.8 | -24.5 | -176.7 | -25.8 | 35.9 | 0 | 0 | 0 | 114.5 | T194 L200 R201 | T194-P198 WeakPolarHBondContact O-CA 3.35Å; P198-L200 PolarHBondContact O-N 3.26Å; P198-R201 WeakPolarHBondContact O-CB 3.31Å; P198-R201 WeakPolarHBondContact O-CG 3.14Å; P198-R201 PolarHBondContact O-N 2.94Å |
| 199 | E | 95.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 76.7 Ų | 76.7 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -62.7 | -19.3 | 175.3 | 74.2 | -81.8 | -166.1 | 0 | 0 | 113.3 | R144 Y197 P202 | R144-E199 IonicContact CZ-OE1 2.69Å; R144-E199 IonicContact NH1-OE1 3.08Å; R144-E199 PolarHBondContact NH1-OE1 2.78Å; R144-E199 IonicContact NH2-OE1 2.82Å; Y197-E199 VanDerWaalsContact CA-OE2 3.25Å; Y197-E199 WeakPolarHBondContact CA-OE2 3.24Å; Y197-E199 PolarHBondContact O-N 2.85Å; Y197-E199 VanDerWaalsContact O-N 3.1Å; E199-P202 WeakPolarHBondContact O-CD 3.44Å |
| 200 | L | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -79 | -18.1 | 178.8 | -61.3 | -174.8 | 0 | 0 | 0 | 113.1 | F140 E191 T194 Y197 P198 P202 Y203 F204 W215 | F140-L200 HydrophobicContact CE1-CD2 4.06Å; F140-L200 HydrophobicContact CZ-CD2 3.67Å; E191-L200 WeakPolarHBondContact O-CD1 3.43Å; T194-L200 HydrophobicContact CG2-CB 4.11Å; Y197-L200 HydrophobicContact CD2-CD1 4.21Å; Y197-L200 HydrophobicContact CG-CD1 4.39Å; Y197-L200 WeakPolarHBondContact O-CB 3.27Å; Y197-L200 PolarHBondContact O-N 3.16Å; P198-L200 PolarHBondContact O-N 3.26Å; L200-P202 VanDerWaalsContact C-N 3.34Å; L200-P202 VanDerWaalsContact O-N 3.13Å; L200-Y203 WeakPolarHBondContact O-CB 3.45Å; L200-Y203 PolarHBondContact O-N 3.42Å; L200-F204 HydrophobicContact CB-CD2 4.31Å; L200-F204 HydrophobicContact CB-CE2 4.22Å; L200-F204 WeakPolarHBondContact O-CD2 3.4Å; L200-W215 HydrophobicContact CD2-CG 4.37Å |
| 201 | R | 96.8 | Very high | 96.2 | Very high | 143 Ų | 143 | 71.9 Ų | 71.9 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -48.8 | -42.9 | -172.7 | -71.9 | 176 | -171.7 | 165.4 | 2.5 | 114.9 | P198 Y203 F204 | P198-R201 WeakPolarHBondContact O-CB 3.31Å; P198-R201 WeakPolarHBondContact O-CG 3.14Å; P198-R201 PolarHBondContact O-N 2.94Å; R201-Y203 PolarHBondContact O-N 2.62Å; R201-F204 PolarHBondContact O-N 3.32Å; R201-F204 VanDerWaalsContact O-N 3.09Å |
| 202 | P | 96.5 | Very high | 96.1 | Very high | 85 Ų | 85 | 77.5 Ų | 77.5 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -59.1 | -30 | 179.4 | -25.2 | 36.2 | 0 | 0 | 0 | 113.9 | E199 L200 F204 | E199-P202 WeakPolarHBondContact O-CD 3.44Å; L200-P202 VanDerWaalsContact C-N 3.34Å; L200-P202 VanDerWaalsContact O-N 3.13Å; P202-F204 VanDerWaalsContact C-N 3.28Å; P202-F204 PolarHBondContact O-N 3.24Å |
| 203 | Y | 96.6 | Very high | 96 | Very high | 50 Ų | 50 | 79.1 Ų | 79.1 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -80.6 | -7.2 | -178.8 | -59.2 | -78.4 | 0 | 0 | 0 | 113.4 | F140 L200 R201 G210 T211 D214 | F140-Y203 HydrophobicContact CD1-CE1 4.49Å; F140-Y203 HydrophobicContact CD1-CE2 4.21Å; F140-Y203 AromaticContact CD2-CE2 3.72Å; F140-Y203 HydrophobicContact CD2-CE2 3.72Å; F140-Y203 AromaticContact CD2-CZ 3.53Å; F140-Y203 WeakPolarHBondContact CD2-OH 3.31Å; F140-Y203 HydrophobicContact CE1-CD2 4.29Å; F140-Y203 AromaticContact CE1-CE2 3.94Å; F140-Y203 HydrophobicContact CE1-CE2 3.94Å; F140-Y203 HydrophobicContact CE2-CD2 4.36Å; F140-Y203 AromaticContact CE2-CE2 3.38Å; F140-Y203 HydrophobicContact CE2-CE2 3.38Å; F140-Y203 AromaticContact CE2-CZ 3.75Å; F140-Y203 HydrophobicContact CG-CE1 4.34Å; F140-Y203 HydrophobicContact CG-CE2 4.12Å; F140-Y203 AromaticContact CG-CZ 3.69Å; F140-Y203 WeakPolarHBondContact CG-OH 3.35Å; F140-Y203 HydrophobicContact CZ-CD2 4.06Å; F140-Y203 AromaticContact CZ-CE2 3.51Å; F140-Y203 HydrophobicContact CZ-CE2 3.51Å; L200-Y203 WeakPolarHBondContact O-CB 3.45Å; L200-Y203 PolarHBondContact O-N 3.42Å; R201-Y203 PolarHBondContact O-N 2.62Å; Y203-G210 CarbonylContact O-C 2.93Å; Y203-G210 WeakPolarHBondContact O-CA 2.98Å; Y203-T211 WeakPolarHBondContact CA-OG1 3.46Å; Y203-T211 PolarHBondContact O-N 3.24Å; Y203-T211 VanDerWaalsContact O-N 3.07Å; Y203-T211 PolarHBondContact O-OG1 3.36Å; Y203-D214 HydrophobicContact CD1-CB 3.66Å; Y203-D214 HydrophobicContact CE1-CB 3.49Å; Y203-D214 VanDerWaalsContact CE1-CB 3.49Å |
| 204 | F | 97.3 | Very high | 96 | Very high | 33 Ų | 33 | 77.8 Ų | 77.8 | 15% | 0.145 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -118.8 | 11.9 | -174.7 | -75.2 | -100.2 | 0 | 0 | 0 | 113 | F192 T194 L200 R201 P202 N207 I208 | F192-F204 HydrophobicContact CB-CE1 4.41Å; F192-F204 HydrophobicContact CB-CZ 3.93Å; F192-F204 AromaticContact CD1-CZ 3.92Å; F192-F204 HydrophobicContact CD1-CZ 3.92Å; F192-F204 HydrophobicContact CG-CZ 4.41Å; T194-F204 HydrophobicContact CG2-CB 4.04Å; T194-F204 HydrophobicContact CG2-CD1 4.39Å; T194-F204 HydrophobicContact CG2-CD2 3.81Å; T194-F204 HydrophobicContact CG2-CE2 4.4Å; T194-F204 HydrophobicContact CG2-CG 3.81Å; L200-F204 HydrophobicContact CB-CD2 4.31Å; L200-F204 HydrophobicContact CB-CE2 4.22Å; L200-F204 WeakPolarHBondContact O-CD2 3.4Å; R201-F204 PolarHBondContact O-N 3.32Å; R201-F204 VanDerWaalsContact O-N 3.09Å; P202-F204 VanDerWaalsContact C-N 3.28Å; P202-F204 PolarHBondContact O-N 3.24Å; F204-N207 WeakPolarHBondContact CA-O 3.43Å; F204-I208 WeakPolarHBondContact CD1-O 3.2Å; F204-I208 WeakPolarHBondContact CE1-O 3.37Å |
| 205 | L | 95.4 | Very high | 96 | Very high | 133 Ų | 133 | 75.9 Ų | 75.9 | 70% | 0.696 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -66.9 | -47.1 | -177.7 | -65.7 | 176.4 | 0 | 0 | 0 | 111.8 | ||
| 206 | D | 95.1 | Very high | 96.1 | Very high | 163 Ų | 163 | 69.9 Ų | 69.9 | 87% | 0.872 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -96.2 | -17.2 | -174.4 | -59.2 | -37.4 | 0 | 0 | 0 | 113 | ||
| 207 | N | 96 | Very high | 96.1 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 36% | 0.358 | 33% | 0.331 | S | S | . | . | trans | -149.8 | 127.5 | -175.4 | -167.2 | -29.7 | 0 | 0 | 0 | 111.7 | F204 E209 G210 W216 | F204-N207 WeakPolarHBondContact CA-O 3.43Å; N207-E209 PolarHBondContact O-N 3.29Å; N207-E209 WeakPolarHBondContact OD1-CB 3.3Å; N207-E209 PolarHBondContact OD1-N 2.66Å; N207-G210 WeakPolarHBondContact CB-O 3.36Å; N207-G210 PolarHBondContact O-N 3.31Å; N207-W216 HydrophobicContact CB-CZ3 4.47Å; N207-W216 WeakPolarHBondContact ND2-CH2 3.26Å | ||
| 208 | I | 94.9 | Very high | 96.1 | Very high | 139 Ų | 139 | 67.9 Ų | 67.9 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.3 | 179.2 | -166.7 | 166 | 0 | 0 | 0 | 113.3 | F204 G210 | F204-I208 WeakPolarHBondContact CD1-O 3.2Å; F204-I208 WeakPolarHBondContact CE1-O 3.37Å; I208-G210 VanDerWaalsContact C-N 3.34Å |
| 209 | E | 95.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 65.9 Ų | 65.9 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.1 | 176.2 | -66.3 | -57.4 | 158 | 0 | 0 | 112.9 | N207 W216 R217 P218 | N207-E209 PolarHBondContact O-N 3.29Å; N207-E209 WeakPolarHBondContact OD1-CB 3.3Å; N207-E209 PolarHBondContact OD1-N 2.66Å; E209-W216 HydrophobicContact CB-CE3 4.29Å; E209-W216 HydrophobicContact CB-CH2 3.87Å; E209-W216 HydrophobicContact CB-CZ2 4.5Å; E209-W216 HydrophobicContact CB-CZ3 3.75Å; E209-R217 WeakPolarHBondContact O-CB 3.39Å; E209-R217 PolarHBondContact O-N 2.94Å; E209-R217 IonicContact OE1-NH1 3.81Å; E209-R217 PolarHBondContact OE1-NH1 3.48Å; E209-R217 WeakPolarHBondContact OE2-CB 3.33Å; E209-R217 WeakPolarHBondContact OE2-CD 3.27Å; E209-R217 WeakPolarHBondContact OE2-CG 3.46Å; E209-R217 IonicContact OE2-CZ 3.67Å; E209-R217 IonicContact OE2-NH1 3.28Å; E209-R217 PolarHBondContact OE2-NH1 3.19Å; E209-P218 HydrophobicContact CB-CG 3.9Å; E209-P218 HydrophobicContact CG-CG 4.13Å |
| 210 | G | 97 | Very high | 96.3 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.6 | -157.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y203 N207 I208 W215 W216 | Y203-G210 CarbonylContact O-C 2.93Å; Y203-G210 WeakPolarHBondContact O-CA 2.98Å; N207-G210 WeakPolarHBondContact CB-O 3.36Å; N207-G210 PolarHBondContact O-N 3.31Å; I208-G210 VanDerWaalsContact C-N 3.34Å; G210-W215 WeakPolarHBondContact CA-O 3.43Å; G210-W216 VanDerWaalsContact C-CE3 3.48Å; G210-W216 WeakPolarHBondContact O-CZ3 3.32Å |
| 211 | T | 97.1 | Very high | 96.3 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 31% | 0.307 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.5 | 179.9 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | Y203 D214 W215 | Y203-T211 WeakPolarHBondContact CA-OG1 3.46Å; Y203-T211 PolarHBondContact O-N 3.24Å; Y203-T211 VanDerWaalsContact O-N 3.07Å; Y203-T211 PolarHBondContact O-OG1 3.36Å; T211-D214 PolarHBondContact O-N 2.89Å; T211-W215 PolarHBondContact N-O 3.48Å; T211-W215 CarbonylContact O-C 3.5Å; T211-W215 PolarHBondContact O-N 2.74Å |
| 212 | W | 94.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 57 Ų | 57 | 47% | 0.47 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 138.6 | 171.9 | 173.5 | -97.4 | 0 | 0 | 0 | 111.1 | W216 V219 | W212-W216 HydrophobicContact CB-CB 4.24Å; W212-W216 HydrophobicContact CB-CD2 3.98Å; W212-W216 HydrophobicContact CB-CE3 4.35Å; W212-W216 HydrophobicContact CB-CG 3.94Å; W212-W216 HydrophobicContact CE3-CB 3.92Å; W212-W216 AromaticContact CE3-CD1 3.54Å; W212-W216 AromaticContact CE3-CG 3.9Å; W212-W216 HydrophobicContact CE3-CG 3.9Å; W212-V219 HydrophobicContact CE3-CG1 4.41Å; W212-V219 HydrophobicContact CE3-CG2 4.4Å; W212-V219 HydrophobicContact CZ3-CB 4.44Å; W212-V219 HydrophobicContact CZ3-CG1 3.82Å; W212-V219 HydrophobicContact CZ3-CG2 3.97Å |
| 213 | P | 94.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 52.9 Ų | 52.9 | 29% | 0.292 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -89.8 | 7.6 | -4.1 | 29.8 | -25.4 | 0 | 0 | 0 | 115 | T138 | T138-P213 HydrophobicContact CG2-CB 3.98Å; T138-P213 HydrophobicContact CG2-CG 3.63Å |
| 214 | D | 95.6 | Very high | 96.5 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -61.3 | -171.4 | -77.1 | -44.1 | 0 | 0 | 0 | 115.4 | T138 F140 S141 Y203 T211 | T138-D214 WeakPolarHBondContact CB-OD1 3.46Å; T138-D214 WeakPolarHBondContact CG2-OD1 3.5Å; T138-D214 PolarHBondContact OG1-OD1 2.97Å; F140-D214 HydrophobicContact CB-CB 4.5Å; S141-D214 WeakPolarHBondContact CB-O 3.44Å; Y203-D214 HydrophobicContact CD1-CB 3.66Å; Y203-D214 HydrophobicContact CE1-CB 3.49Å; Y203-D214 VanDerWaalsContact CE1-CB 3.49Å; T211-D214 PolarHBondContact O-N 2.89Å |
| 215 | W | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 87.8 | 177.1 | -157.6 | -116.3 | 0 | 0 | 0 | 108.8 | F140 R144 L145 V148 E191 F192 L200 G210 T211 Y223 | F140-W215 HydrophobicContact CD1-CB 4.05Å; F140-W215 HydrophobicContact CE1-CB 3.71Å; F140-W215 HydrophobicContact CE1-CD2 4.19Å; F140-W215 HydrophobicContact CE1-CE3 4.33Å; F140-W215 AromaticContact CE1-CG 3.94Å; F140-W215 HydrophobicContact CE1-CG 3.94Å; R144-W215 HydrophobicContact CB-CE3 4.03Å; R144-W215 HydrophobicContact CB-CH2 4.11Å; R144-W215 HydrophobicContact CB-CZ3 3.77Å; R144-W215 HydrophobicContact CG-CD2 3.94Å; R144-W215 HydrophobicContact CG-CE3 3.79Å; R144-W215 HydrophobicContact CG-CH2 3.42Å; R144-W215 VanDerWaalsContact CG-CH2 3.42Å; R144-W215 HydrophobicContact CG-CZ2 3.55Å; R144-W215 HydrophobicContact CG-CZ3 3.53Å; L145-W215 HydrophobicContact CD2-CH2 3.98Å; L145-W215 HydrophobicContact CD2-CZ3 4.22Å; L145-W215 HydrophobicContact CG-CH2 4.32Å; L145-W215 HydrophobicContact CG-CZ3 4.15Å; V148-W215 HydrophobicContact CG2-CH2 4.37Å; V148-W215 HydrophobicContact CG2-CZ2 4.48Å; E191-W215 HydrophobicContact CB-CZ2 4.42Å; E191-W215 PolarHBondContact O-NE1 2.78Å; F192-W215 AromaticContact CD1-CD1 3.42Å; F192-W215 VanDerWaalsContact CD1-CD1 3.42Å; F192-W215 HydrophobicContact CD1-CG 4.32Å; F192-W215 AromaticContact CD1-NE1 3.27Å; F192-W215 VanDerWaalsContact CD1-NE1 3.27Å; F192-W215 AromaticContact CE1-CD1 3.57Å; F192-W215 HydrophobicContact CE1-CD2 4.16Å; F192-W215 AromaticContact CE1-CE2 3.71Å; F192-W215 HydrophobicContact CE1-CG 4.08Å; F192-W215 HydrophobicContact CE1-CZ2 4.32Å; F192-W215 AromaticContact CE1-NE1 3.33Å; F192-W215 VanDerWaalsContact CE1-NE1 3.33Å; F192-W215 HydrophobicContact CZ-CZ2 4.43Å; L200-W215 HydrophobicContact CD2-CG 4.37Å; G210-W215 WeakPolarHBondContact CA-O 3.43Å; T211-W215 PolarHBondContact N-O 3.48Å; T211-W215 CarbonylContact O-C 3.5Å; T211-W215 PolarHBondContact O-N 2.74Å; W215-Y223 HydrophobicContact CD2-CE2 4.34Å; W215-Y223 HydrophobicContact CE3-CE1 4.44Å; W215-Y223 HydrophobicContact CE3-CE2 4.03Å; W215-Y223 AromaticContact CE3-CZ 3.92Å; W215-Y223 HydrophobicContact CH2-CD2 4.16Å; W215-Y223 HydrophobicContact CH2-CE2 4.32Å; W215-Y223 HydrophobicContact CH2-CG 4.44Å; W215-Y223 HydrophobicContact CZ3-CD1 4.38Å; W215-Y223 HydrophobicContact CZ3-CD2 4.2Å; W215-Y223 HydrophobicContact CZ3-CE1 4.18Å; W215-Y223 HydrophobicContact CZ3-CE2 4.02Å; W215-Y223 HydrophobicContact CZ3-CG 4.39Å |
| 216 | W | 97.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 108.5 | -167.3 | -176.4 | -119.6 | 0 | 0 | 0 | 109.9 | N207 E209 G210 W212 P218 V219 Y223 | N207-W216 HydrophobicContact CB-CZ3 4.47Å; N207-W216 WeakPolarHBondContact ND2-CH2 3.26Å; E209-W216 HydrophobicContact CB-CE3 4.29Å; E209-W216 HydrophobicContact CB-CH2 3.87Å; E209-W216 HydrophobicContact CB-CZ2 4.5Å; E209-W216 HydrophobicContact CB-CZ3 3.75Å; G210-W216 VanDerWaalsContact C-CE3 3.48Å; G210-W216 WeakPolarHBondContact O-CZ3 3.32Å; W212-W216 HydrophobicContact CB-CB 4.24Å; W212-W216 HydrophobicContact CB-CD2 3.98Å; W212-W216 HydrophobicContact CB-CE3 4.35Å; W212-W216 HydrophobicContact CB-CG 3.94Å; W212-W216 HydrophobicContact CE3-CB 3.92Å; W212-W216 AromaticContact CE3-CD1 3.54Å; W212-W216 AromaticContact CE3-CG 3.9Å; W212-W216 HydrophobicContact CE3-CG 3.9Å; W216-P218 VanDerWaalsContact C-CD 3.44Å; W216-P218 VanDerWaalsContact C-N 3.34Å; W216-P218 HydrophobicContact CD2-CG 4.13Å; W216-P218 HydrophobicContact CH2-CG 4.4Å; W216-P218 HydrophobicContact CZ2-CB 4.46Å; W216-P218 HydrophobicContact CZ2-CG 3.71Å; W216-V219 HydrophobicContact CB-CG2 4.04Å; W216-V219 HydrophobicContact CG-CG2 4.42Å; W216-V219 WeakPolarHBondContact O-CG2 3.46Å; W216-V219 PolarHBondContact O-N 3.17Å; W216-V219 VanDerWaalsContact O-N 3.15Å; W216-Y223 PolarHBondContact N-OH 3.25Å; W216-Y223 WeakPolarHBondContact O-CE2 3.16Å |
| 217 | R | 97.5 | Very high | 96.9 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -57.5 | -36.1 | -174.9 | -175.7 | 167.4 | 178.1 | -95.2 | 7.9 | 114.6 | F188 F192 E209 V219 S220 | F188-R217 HydrophobicContact CD2-CG 3.82Å; F188-R217 VanDerWaalsContact CE1-CZ 3.4Å; F188-R217 HydrophobicContact CE2-CG 3.78Å; F188-R217 VanDerWaalsContact CE2-CZ 3.47Å; F188-R217 PolarHBondContact O-NE 3.29Å; F192-R217 HydrophobicContact CB-CG 4.32Å; F192-R217 HydrophobicContact CD1-CB 3.66Å; F192-R217 HydrophobicContact CD1-CG 4.12Å; F192-R217 HydrophobicContact CD2-CB 4.15Å; F192-R217 HydrophobicContact CD2-CG 3.69Å; F192-R217 HydrophobicContact CE1-CB 3.81Å; F192-R217 HydrophobicContact CE1-CG 4.37Å; F192-R217 HydrophobicContact CE2-CB 4.3Å; F192-R217 HydrophobicContact CE2-CG 3.99Å; F192-R217 HydrophobicContact CG-CB 3.83Å; F192-R217 HydrophobicContact CG-CG 3.76Å; F192-R217 HydrophobicContact CZ-CB 4.13Å; F192-R217 HydrophobicContact CZ-CG 4.31Å; E209-R217 WeakPolarHBondContact O-CB 3.39Å; E209-R217 PolarHBondContact O-N 2.94Å; E209-R217 IonicContact OE1-NH1 3.81Å; E209-R217 PolarHBondContact OE1-NH1 3.48Å; E209-R217 WeakPolarHBondContact OE2-CB 3.33Å; E209-R217 WeakPolarHBondContact OE2-CD 3.27Å; E209-R217 WeakPolarHBondContact OE2-CG 3.46Å; E209-R217 IonicContact OE2-CZ 3.67Å; E209-R217 IonicContact OE2-NH1 3.28Å; E209-R217 PolarHBondContact OE2-NH1 3.19Å; R217-V219 PolarHBondContact O-N 3.28Å; R217-V219 VanDerWaalsContact O-N 3.1Å; R217-S220 WeakPolarHBondContact O-CB 3.42Å; R217-S220 PolarHBondContact O-N 3.19Å; R217-S220 PolarHBondContact O-OG 2.89Å |
| 218 | P | 96.4 | Very high | 97 | Very high | 33 Ų | 33 | 32 Ų | 32 | 21% | 0.214 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -65.5 | -12.1 | 178.1 | -27.1 | 37.8 | 0 | 0 | 0 | 115.2 | Y81 N83 E209 W216 | Y81-P218 PolarHBondContact OH-O 3.36Å; N83-P218 PolarHBondContact ND2-O 2.76Å; E209-P218 HydrophobicContact CB-CG 3.9Å; E209-P218 HydrophobicContact CG-CG 4.13Å; W216-P218 VanDerWaalsContact C-CD 3.44Å; W216-P218 VanDerWaalsContact C-N 3.34Å; W216-P218 HydrophobicContact CD2-CG 4.13Å; W216-P218 HydrophobicContact CH2-CG 4.4Å; W216-P218 HydrophobicContact CZ2-CB 4.46Å; W216-P218 HydrophobicContact CZ2-CG 3.71Å |
| 219 | V | 96.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 12% | 0.115 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -104.5 | 24.5 | 172.7 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | W212 W216 R217 S221 M222 Y223 | W212-V219 HydrophobicContact CE3-CG1 4.41Å; W212-V219 HydrophobicContact CE3-CG2 4.4Å; W212-V219 HydrophobicContact CZ3-CB 4.44Å; W212-V219 HydrophobicContact CZ3-CG1 3.82Å; W212-V219 HydrophobicContact CZ3-CG2 3.97Å; W216-V219 HydrophobicContact CB-CG2 4.04Å; W216-V219 HydrophobicContact CG-CG2 4.42Å; W216-V219 WeakPolarHBondContact O-CG2 3.46Å; W216-V219 PolarHBondContact O-N 3.17Å; W216-V219 VanDerWaalsContact O-N 3.15Å; R217-V219 PolarHBondContact O-N 3.28Å; R217-V219 VanDerWaalsContact O-N 3.1Å; V219-S221 PolarHBondContact O-N 2.84Å; V219-M222 HydrophobicContact CB-CB 4.3Å; V219-M222 HydrophobicContact CB-CG 4.37Å; V219-M222 HydrophobicContact CB-SD 4.02Å; V219-M222 HydrophobicContact CG1-SD 3.92Å; V219-M222 WeakPolarHBondContact O-CB 3.35Å; V219-M222 PolarHBondContact O-N 3.19Å; V219-Y223 HydrophobicContact CG2-CE1 4.16Å; V219-Y223 HydrophobicContact CG2-CE2 3.9Å; V219-Y223 PolarHBondContact O-N 3.39Å |
| 220 | S | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -49.6 | -33.9 | 174.2 | -68.6 | 0 | 0 | 0 | 0 | 113.3 | Y81 F192 R217 M222 Y223 A224 | Y81-S220 PolarHBondContact OH-N 3.15Å; F192-S220 WeakPolarHBondContact CE2-OG 3.48Å; F192-S220 WeakPolarHBondContact CZ-OG 3.4Å; R217-S220 WeakPolarHBondContact O-CB 3.42Å; R217-S220 PolarHBondContact O-N 3.19Å; R217-S220 PolarHBondContact O-OG 2.89Å; S220-M222 VanDerWaalsContact C-N 3.33Å; S220-M222 PolarHBondContact O-N 3.4Å; S220-Y223 PolarHBondContact O-N 3.29Å; S220-A224 VanDerWaalsContact O-CB 3.28Å; S220-A224 WeakPolarHBondContact O-CB 3.44Å; S220-A224 PolarHBondContact O-N 3.06Å |
| 221 | S | 97.5 | Very high | 97.4 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 11% | 0.105 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 175.4 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | Y81 T184 V219 Q225 | Y81-S221 PolarHBondContact OH-N 3.05Å; Y81-S221 PolarHBondContact OH-OG 2.97Å; T184-S221 WeakPolarHBondContact OG1-CA 3.48Å; V219-S221 PolarHBondContact O-N 2.84Å; S221-Q225 WeakPolarHBondContact O-CB 3.35Å; S221-Q225 PolarHBondContact O-N 2.98Å; S221-Q225 VanDerWaalsContact O-N 3.07Å |
| 222 | M | 97.5 | Very high | 97.5 | Very high | 29 Ų | 29 | 25 Ų | 25 | 14% | 0.143 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -74.5 | -40.5 | -179.7 | -64 | 174.9 | 48.9 | 0 | 0 | 111 | Y136 V219 S220 Q225 E226 | Y136-M222 HydrophobicContact CD1-CB 4.1Å; Y136-M222 HydrophobicContact CD1-CE 3.08Å; Y136-M222 HydrophobicContact CE1-CB 4.05Å; Y136-M222 HydrophobicContact CE1-CE 3.67Å; Y136-M222 HydrophobicContact CG-CE 3.92Å; V219-M222 HydrophobicContact CB-CB 4.3Å; V219-M222 HydrophobicContact CB-CG 4.37Å; V219-M222 HydrophobicContact CB-SD 4.02Å; V219-M222 HydrophobicContact CG1-SD 3.92Å; V219-M222 WeakPolarHBondContact O-CB 3.35Å; V219-M222 PolarHBondContact O-N 3.19Å; S220-M222 VanDerWaalsContact C-N 3.33Å; S220-M222 PolarHBondContact O-N 3.4Å; M222-Q225 WeakPolarHBondContact O-CG 3.49Å; M222-Q225 PolarHBondContact O-N 3.33Å; M222-E226 PolarHBondContact O-N 2.7Å |
| 223 | Y | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 170.9 | -63.1 | -28.7 | 0 | 0 | 0 | 112.1 | Y136 L145 F192 W215 W216 V219 S220 Q225 E226 L227 | Y136-Y223 AromaticContact CD2-CD1 3.66Å; Y136-Y223 HydrophobicContact CD2-CD1 3.66Å; Y136-Y223 AromaticContact CD2-CE1 3.55Å; Y136-Y223 HydrophobicContact CD2-CE1 3.55Å; Y136-Y223 HydrophobicContact CE2-CD1 4Å; Y136-Y223 HydrophobicContact CE2-CE1 4.33Å; Y136-Y223 HydrophobicContact CG-CD1 4.45Å; Y136-Y223 HydrophobicContact CG-CE1 4.16Å; L145-Y223 HydrophobicContact CD1-CD1 4.03Å; L145-Y223 HydrophobicContact CD2-CD1 4.19Å; L145-Y223 HydrophobicContact CD2-CG 4.11Å; F192-Y223 HydrophobicContact CE1-CE2 4.05Å; F192-Y223 AromaticContact CZ-CD2 3.89Å; F192-Y223 HydrophobicContact CZ-CD2 3.89Å; F192-Y223 AromaticContact CZ-CE2 3.84Å; F192-Y223 HydrophobicContact CZ-CE2 3.84Å; W215-Y223 HydrophobicContact CD2-CE2 4.34Å; W215-Y223 HydrophobicContact CE3-CE1 4.44Å; W215-Y223 HydrophobicContact CE3-CE2 4.03Å; W215-Y223 AromaticContact CE3-CZ 3.92Å; W215-Y223 HydrophobicContact CH2-CD2 4.16Å; W215-Y223 HydrophobicContact CH2-CE2 4.32Å; W215-Y223 HydrophobicContact CH2-CG 4.44Å; W215-Y223 HydrophobicContact CZ3-CD1 4.38Å; W215-Y223 HydrophobicContact CZ3-CD2 4.2Å; W215-Y223 HydrophobicContact CZ3-CE1 4.18Å; W215-Y223 HydrophobicContact CZ3-CE2 4.02Å; W215-Y223 HydrophobicContact CZ3-CG 4.39Å; W216-Y223 PolarHBondContact N-OH 3.25Å; W216-Y223 WeakPolarHBondContact O-CE2 3.16Å; V219-Y223 HydrophobicContact CG2-CE1 4.16Å; V219-Y223 HydrophobicContact CG2-CE2 3.9Å; V219-Y223 PolarHBondContact O-N 3.39Å; S220-Y223 PolarHBondContact O-N 3.29Å; Y223-Q225 VanDerWaalsContact C-N 3.32Å; Y223-Q225 PolarHBondContact O-N 3.19Å; Y223-E226 PolarHBondContact O-N 3.03Å; Y223-L227 WeakPolarHBondContact O-CG 3.31Å; Y223-L227 PolarHBondContact O-N 3.33Å; Y223-L227 VanDerWaalsContact O-N 3.16Å |
| 224 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T180 M183 T184 L187 S220 E226 L227 V228 | T180-A224 HydrophobicContact CG2-CB 4.18Å; M183-A224 HydrophobicContact CB-CB 3.87Å; M183-A224 HydrophobicContact CG-CB 3.71Å; T184-A224 VanDerWaalsContact OG1-CB 3.27Å; T184-A224 WeakPolarHBondContact OG1-CB 3.49Å; L187-A224 HydrophobicContact CD1-CB 3.85Å; S220-A224 VanDerWaalsContact O-CB 3.28Å; S220-A224 WeakPolarHBondContact O-CB 3.44Å; S220-A224 PolarHBondContact O-N 3.06Å; A224-E226 VanDerWaalsContact C-N 3.34Å; A224-L227 PolarHBondContact O-N 3.03Å; A224-V228 WeakPolarHBondContact O-CB 3.45Å; A224-V228 WeakPolarHBondContact O-CG2 3.21Å; A224-V228 PolarHBondContact O-N 2.87Å |
| 225 | Q | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | -179.6 | 105.3 | -165.5 | -17.1 | 0 | 0 | 111.5 | Y87 L162 G163 S164 W166 T180 S221 M222 Y223 V228 L229 | Y87-Q225 PolarHBondContact OH-OE1 3.08Å; L162-Q225 PolarHBondContact O-NE2 2.92Å; G163-Q225 PolarHBondContact O-NE2 2.85Å; S164-Q225 VanDerWaalsContact N-NE2 3.19Å; W166-Q225 HydrophobicContact CH2-CB 4.3Å; W166-Q225 HydrophobicContact CZ2-CB 3.57Å; W166-Q225 HydrophobicContact CZ2-CG 3.88Å; T180-Q225 HydrophobicContact CG2-CB 3.61Å; S221-Q225 WeakPolarHBondContact O-CB 3.35Å; S221-Q225 PolarHBondContact O-N 2.98Å; S221-Q225 VanDerWaalsContact O-N 3.07Å; M222-Q225 WeakPolarHBondContact O-CG 3.49Å; M222-Q225 PolarHBondContact O-N 3.33Å; Y223-Q225 VanDerWaalsContact C-N 3.32Å; Y223-Q225 PolarHBondContact O-N 3.19Å; Q225-V228 PolarHBondContact O-N 2.83Å; Q225-L229 WeakPolarHBondContact O-CB 3.5Å; Q225-L229 VanDerWaalsContact O-CG 3.26Å; Q225-L229 WeakPolarHBondContact O-CG 3.38Å; Q225-L229 PolarHBondContact O-N 3.37Å |
| 226 | E | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 174.4 | 176.6 | 167 | 131.3 | 0 | 0 | 110.9 | Y136 L145 H156 H160 C161 L162 M222 Y223 A224 V228 N230 | Y136-E226 WeakPolarHBondContact CE2-OE2 3.5Å; Y136-E226 WeakPolarHBondContact OH-CB 3.49Å; Y136-E226 PolarHBondContact OH-OE2 3.03Å; L145-E226 HydrophobicContact CD1-CG 4.44Å; L145-E226 WeakPolarHBondContact CD1-OE1 3.4Å; H156-E226 IonicContact CE1-OE1 3.06Å; H156-E226 IonicContact NE2-OE1 2.72Å; H156-E226 PolarHBondContact NE2-OE1 2.94Å; H160-E226 WeakPolarHBondContact CA-OE2 3.47Å; H160-E226 IonicContact CE1-OE1 3.31Å; H160-E226 IonicContact CG-OE1 2.94Å; H160-E226 IonicContact ND1-OE1 3.36Å; H160-E226 PolarHBondContact ND1-OE1 3.37Å; C161-E226 PolarHBondContact N-OE2 3.27Å; L162-E226 HydrophobicContact CD1-CB 4.4Å; L162-E226 HydrophobicContact CD1-CG 4.22Å; M222-E226 PolarHBondContact O-N 2.7Å; Y223-E226 PolarHBondContact O-N 3.03Å; A224-E226 VanDerWaalsContact C-N 3.34Å; E226-V228 PolarHBondContact O-N 3.14Å; E226-N230 VanDerWaalsContact O-CB 3.25Å; E226-N230 WeakPolarHBondContact O-CB 3.37Å; E226-N230 PolarHBondContact O-N 3.07Å; E226-N230 PolarHBondContact O-ND2 2.67Å |
| 227 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 177.8 | -65.1 | -178.7 | 0 | 0 | 0 | 111.6 | L145 V148 A149 L154 M183 L187 Y223 A224 D231 | L145-L227 HydrophobicContact CB-CD2 4.28Å; L145-L227 HydrophobicContact CD2-CD1 4.44Å; L145-L227 HydrophobicContact CD2-CD2 4.17Å; L145-L227 HydrophobicContact CD2-CG 4.18Å; V148-L227 HydrophobicContact CB-CD1 4.41Å; V148-L227 HydrophobicContact CG1-CD1 3.64Å; A149-L227 HydrophobicContact CB-CD2 3.95Å; L154-L227 HydrophobicContact CD1-CB 4.14Å; L154-L227 HydrophobicContact CD1-CD1 4.46Å; M183-L227 HydrophobicContact CG-CD1 4.45Å; M183-L227 HydrophobicContact SD-CD1 4.32Å; L187-L227 HydrophobicContact CD1-CD1 3.94Å; L187-L227 HydrophobicContact CD2-CD1 3.95Å; L187-L227 HydrophobicContact CG-CD1 4.46Å; Y223-L227 WeakPolarHBondContact O-CG 3.31Å; Y223-L227 PolarHBondContact O-N 3.33Å; Y223-L227 VanDerWaalsContact O-N 3.16Å; A224-L227 PolarHBondContact O-N 3.03Å; L227-D231 WeakPolarHBondContact O-CB 3.5Å; L227-D231 PolarHBondContact O-N 3.09Å |
| 228 | V | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -47.8 | -178.3 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | M176 L179 M183 A224 Q225 E226 D231 Q232 | M176-V228 HydrophobicContact SD-CG1 3.89Å; L179-V228 HydrophobicContact CB-CG1 3.73Å; L179-V228 HydrophobicContact CB-CG2 4.09Å; L179-V228 HydrophobicContact CD1-CG1 4.4Å; M183-V228 HydrophobicContact CB-CG2 3.88Å; M183-V228 HydrophobicContact CG-CG2 4.25Å; A224-V228 WeakPolarHBondContact O-CB 3.45Å; A224-V228 WeakPolarHBondContact O-CG2 3.21Å; A224-V228 PolarHBondContact O-N 2.87Å; Q225-V228 PolarHBondContact O-N 2.83Å; E226-V228 PolarHBondContact O-N 3.14Å; V228-D231 PolarHBondContact O-N 2.9Å; V228-Q232 HydrophobicContact CG1-CG 4.26Å; V228-Q232 VanDerWaalsContact O-CB 3.26Å; V228-Q232 WeakPolarHBondContact O-CB 3.38Å; V228-Q232 VanDerWaalsContact O-CG 3.27Å; V228-Q232 WeakPolarHBondContact O-CG 3.49Å; V228-Q232 PolarHBondContact O-N 3.46Å |
| 229 | L | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.3 | -42.8 | -179.7 | -69.3 | -179.6 | 0 | 0 | 0 | 111.4 | I129 T131 L162 W166 M176 Q225 D231 I233 I236 | I129-L229 HydrophobicContact CD1-CD2 3.89Å; T131-L229 HydrophobicContact CG2-CD1 3.73Å; L162-L229 HydrophobicContact CB-CD1 4.3Å; L162-L229 HydrophobicContact CD1-CB 3.92Å; L162-L229 HydrophobicContact CD1-CD1 4.09Å; L162-L229 HydrophobicContact CD2-CD1 4.27Å; L162-L229 HydrophobicContact CG-CD1 4.46Å; W166-L229 HydrophobicContact CH2-CD2 4.24Å; W166-L229 HydrophobicContact CH2-CG 4.4Å; W166-L229 HydrophobicContact CZ2-CD1 3.69Å; W166-L229 HydrophobicContact CZ2-CD2 4.09Å; W166-L229 HydrophobicContact CZ2-CG 3.88Å; M176-L229 HydrophobicContact CB-CD2 4.17Å; M176-L229 HydrophobicContact CG-CD2 3.77Å; M176-L229 HydrophobicContact SD-CD2 3.99Å; Q225-L229 WeakPolarHBondContact O-CB 3.5Å; Q225-L229 VanDerWaalsContact O-CG 3.26Å; Q225-L229 WeakPolarHBondContact O-CG 3.38Å; Q225-L229 PolarHBondContact O-N 3.37Å; L229-D231 PolarHBondContact O-N 2.86Å; L229-I233 HydrophobicContact CD2-CG1 4.25Å; L229-I233 WeakPolarHBondContact O-CB 3.14Å; L229-I233 PolarHBondContact O-N 2.99Å; L229-I236 HydrophobicContact CB-CD1 3.87Å |
| 230 | N | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -35.6 | 175 | -88.1 | -93.7 | 0 | 0 | 0 | 112 | T155 R157 G158 V159 E226 | T155-N230 CarbonylContact O-C 3.1Å; T155-N230 VanDerWaalsContact O-C 3.23Å; R157-N230 WeakPolarHBondContact CA-OD1 3.43Å; R157-N230 WeakPolarHBondContact CD-O 3.27Å; R157-N230 WeakPolarHBondContact CG-O 3.32Å; R157-N230 PolarHBondContact N-OD1 2.97Å; R157-N230 PolarHBondContact NH1-O 2.9Å; G158-N230 PolarHBondContact N-OD1 2.98Å; V159-N230 PolarHBondContact N-OD1 3.1Å; V159-N230 VanDerWaalsContact N-OD1 3.12Å; V159-N230 PolarHBondContact O-ND2 3.26Å; V159-N230 PolarHBondContact O-OD1 3.49Å; E226-N230 VanDerWaalsContact O-CB 3.25Å; E226-N230 WeakPolarHBondContact O-CB 3.37Å; E226-N230 PolarHBondContact O-N 3.07Å; E226-N230 PolarHBondContact O-ND2 2.67Å |
| 231 | D | 98.7 | Very high | 97.9 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 18% | 0.176 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -78.7 | -42.3 | -177.4 | -176.8 | 66.7 | 0 | 0 | 0 | 112.5 | L154 T155 R157 L227 V228 L229 | L154-D231 WeakPolarHBondContact CA-OD1 3.45Å; L154-D231 HydrophobicContact CB-CB 4.33Å; L154-D231 HydrophobicContact CD2-CB 4.48Å; T155-D231 PolarHBondContact N-OD1 3.15Å; T155-D231 VanDerWaalsContact O-CA 3.28Å; T155-D231 WeakPolarHBondContact O-CA 3.45Å; T155-D231 PolarHBondContact O-N 3.48Å; R157-D231 PolarHBondContact NH1-O 3.25Å; L227-D231 WeakPolarHBondContact O-CB 3.5Å; L227-D231 PolarHBondContact O-N 3.09Å; V228-D231 PolarHBondContact O-N 2.9Å; L229-D231 PolarHBondContact O-N 2.86Å |
| 232 | Q | 98.4 | Very high | 97.9 | Very high | 63 Ų | 63 | 38.5 Ų | 38.5 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -95.8 | -21.5 | -167.3 | -64.3 | -67.6 | -61 | 0 | 0 | 115.2 | K175 M176 L179 V228 | K175-Q232 VanDerWaalsContact CE-OE1 3.31Å; M176-Q232 HydrophobicContact CE-CB 3.62Å; M176-Q232 HydrophobicContact CE-CG 3.97Å; M176-Q232 HydrophobicContact SD-CB 3.58Å; M176-Q232 VanDerWaalsContact SD-CB 3.58Å; M176-Q232 HydrophobicContact SD-CG 4.13Å; L179-Q232 HydrophobicContact CD1-CG 3.73Å; V228-Q232 HydrophobicContact CG1-CG 4.26Å; V228-Q232 VanDerWaalsContact O-CB 3.26Å; V228-Q232 WeakPolarHBondContact O-CB 3.38Å; V228-Q232 VanDerWaalsContact O-CG 3.27Å; V228-Q232 WeakPolarHBondContact O-CG 3.49Å; V228-Q232 PolarHBondContact O-N 3.46Å |
| 233 | I | 97.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | trans | -101.3 | 104.1 | 177.6 | -52 | -58.8 | 0 | 0 | 0 | 107.4 | I129 R157 T172 M176 L229 E235 I236 Y240 | I129-I233 HydrophobicContact CG2-CD1 4.07Å; I129-I233 HydrophobicContact CG2-CG1 4.07Å; R157-I233 WeakPolarHBondContact CD-O 3.35Å; T172-I233 HydrophobicContact CG2-CD1 4.17Å; M176-I233 HydrophobicContact SD-CD1 4.16Å; M176-I233 HydrophobicContact SD-CG1 4.48Å; L229-I233 HydrophobicContact CD2-CG1 4.25Å; L229-I233 WeakPolarHBondContact O-CB 3.14Å; L229-I233 PolarHBondContact O-N 2.99Å; I233-E235 VanDerWaalsContact C-N 3.28Å; I233-E235 HydrophobicContact CG2-CG 4.19Å; I233-E235 PolarHBondContact O-N 3.17Å; I233-I236 HydrophobicContact CB-CB 3.97Å; I233-I236 HydrophobicContact CB-CD1 4.47Å; I233-I236 HydrophobicContact CG2-CB 3.87Å; I233-I236 WeakPolarHBondContact O-CB 3.26Å; I233-I236 VanDerWaalsContact O-CG2 3.24Å; I233-I236 WeakPolarHBondContact O-CG2 3.48Å; I233-I236 PolarHBondContact O-N 2.91Å; I233-Y240 HydrophobicContact CG2-CE1 3.94Å | ||
| 234 | E | 96.4 | Very high | 97.7 | Very high | 153 Ų | 153 | 44.2 Ų | 44.2 | 72% | 0.715 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -37.6 | -170 | -65.1 | -175.4 | 173.4 | 0 | 0 | 112.5 | R157 | R157-E234 WeakPolarHBondContact CD-O 3.44Å; R157-E234 PolarHBondContact NE-O 3.31Å |
| 235 | E | 95.9 | Very high | 97.6 | Very high | 70 Ų | 70 | 45.5 Ų | 45.5 | 33% | 0.327 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 8.8 | -176 | 64.5 | -90.1 | -142.6 | 0 | 0 | 113.9 | K128 I233 T237 Y240 | K128-E235 IonicContact NZ-OE1 2.67Å; K128-E235 PolarHBondContact NZ-OE1 3.26Å; K128-E235 IonicContact NZ-OE2 3.63Å; I233-E235 VanDerWaalsContact C-N 3.28Å; I233-E235 HydrophobicContact CG2-CG 4.19Å; I233-E235 PolarHBondContact O-N 3.17Å; E235-T237 PolarHBondContact O-N 2.87Å; E235-Y240 WeakPolarHBondContact CG-OH 3.21Å; E235-Y240 WeakPolarHBondContact O-CE2 3.48Å |
| 236 | I | 97.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | trans | -64.6 | 126.8 | -174.7 | -161.4 | 172.2 | 0 | 0 | 0 | 111.6 | R157 V159 L162 L229 I233 Y240 | R157-I236 HydrophobicContact CB-CG2 3.89Å; R157-I236 HydrophobicContact CG-CG2 4.3Å; V159-I236 HydrophobicContact CB-CG1 4.46Å; V159-I236 HydrophobicContact CG1-CG1 4.4Å; V159-I236 HydrophobicContact CG2-CG1 4.22Å; V159-I236 HydrophobicContact CG2-CG2 4.12Å; L162-I236 HydrophobicContact CD1-CD1 3.99Å; L162-I236 HydrophobicContact CD2-CD1 4.12Å; L229-I236 HydrophobicContact CB-CD1 3.87Å; I233-I236 HydrophobicContact CB-CB 3.97Å; I233-I236 HydrophobicContact CB-CD1 4.47Å; I233-I236 HydrophobicContact CG2-CB 3.87Å; I233-I236 WeakPolarHBondContact O-CB 3.26Å; I233-I236 VanDerWaalsContact O-CG2 3.24Å; I233-I236 WeakPolarHBondContact O-CG2 3.48Å; I233-I236 PolarHBondContact O-N 2.91Å; I236-Y240 HydrophobicContact CG1-CD1 4.14Å; I236-Y240 HydrophobicContact CG1-CD2 4.48Å; I236-Y240 HydrophobicContact CG1-CG 4.01Å | ||
| 237 | T | 97.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 36% | 0.362 | 23% | 0.225 | S | C | . | . | trans | -128.2 | 178.1 | 173.4 | 72.2 | 0 | 0 | 0 | 0 | 109.7 | E235 D239 Y240 | E235-T237 PolarHBondContact O-N 2.87Å; T237-D239 PolarHBondContact O-N 3.21Å; T237-D239 PolarHBondContact OG1-N 3.12Å; T237-D239 PolarHBondContact OG1-OD2 3.3Å; T237-Y240 WeakPolarHBondContact O-CB 3.16Å; T237-Y240 PolarHBondContact O-N 3.22Å | ||
| 238 | R | 97 | Very high | 97.3 | Very high | 189 Ų | 189 | 46 Ų | 46 | 71% | 0.713 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -61.7 | -22.2 | 173.4 | -71.5 | -176.4 | 177.5 | 175.5 | -0.9 | 113.3 | Y240 I241 | R238-Y240 PolarHBondContact O-N 3.31Å; R238-I241 WeakPolarHBondContact O-CB 3.36Å; R238-I241 PolarHBondContact O-N 3.15Å |
| 239 | D | 96.9 | Very high | 97 | Very high | 112 Ų | 112 | 49 Ų | 49 | 60% | 0.599 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -69.8 | -15.8 | -179.7 | -54.7 | -35.9 | 0 | 0 | 0 | 112.7 | M127 T237 I241 | M127-D239 HydrophobicContact CE-CB 3.88Å; T237-D239 PolarHBondContact O-N 3.21Å; T237-D239 PolarHBondContact OG1-N 3.12Å; T237-D239 PolarHBondContact OG1-OD2 3.3Å; D239-I241 PolarHBondContact O-N 3.27Å |
| 240 | Y | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -69.5 | -18.4 | 171.8 | -77.9 | -118.3 | 0 | 0 | 0 | 111.9 | N126 M127 I129 I130 T131 I233 E235 I236 T237 R238 M242 | N126-Y240 PolarHBondContact O-OH 3.43Å; M127-Y240 HydrophobicContact CB-CE1 4.18Å; M127-Y240 HydrophobicContact CE-CD2 3.99Å; M127-Y240 HydrophobicContact CE-CE2 3.98Å; M127-Y240 HydrophobicContact CG-CE1 4.18Å; M127-Y240 HydrophobicContact CG-CE2 3.93Å; M127-Y240 HydrophobicContact SD-CD2 4.35Å; M127-Y240 HydrophobicContact SD-CE2 4.31Å; I129-Y240 HydrophobicContact CG2-CD1 4.29Å; I129-Y240 HydrophobicContact CG2-CE1 4.37Å; I129-Y240 WeakPolarHBondContact O-CD1 3.28Å; I129-Y240 VanDerWaalsContact O-CE1 3.27Å; I129-Y240 WeakPolarHBondContact O-CE1 3.33Å; I130-Y240 WeakPolarHBondContact CA-O 3.26Å; T131-Y240 PolarHBondContact N-O 3.47Å; I233-Y240 HydrophobicContact CG2-CE1 3.94Å; E235-Y240 WeakPolarHBondContact CG-OH 3.21Å; E235-Y240 WeakPolarHBondContact O-CE2 3.48Å; I236-Y240 HydrophobicContact CG1-CD1 4.14Å; I236-Y240 HydrophobicContact CG1-CD2 4.48Å; I236-Y240 HydrophobicContact CG1-CG 4.01Å; T237-Y240 WeakPolarHBondContact O-CB 3.16Å; T237-Y240 PolarHBondContact O-N 3.22Å; R238-Y240 PolarHBondContact O-N 3.31Å; Y240-M242 PolarHBondContact O-N 3.41Å |
| 241 | I | 98 | Very high | 96.6 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -86.9 | 89.5 | 175.2 | -57.2 | 173.8 | 0 | 0 | 0 | 108.5 | K133 V159 H160 L162 R238 D239 G243 | K133-I241 HydrophobicContact CB-CG2 4.08Å; K133-I241 HydrophobicContact CG-CG2 4.43Å; V159-I241 HydrophobicContact CG1-CD1 3.98Å; V159-I241 HydrophobicContact CG1-CG1 4.43Å; H160-I241 WeakPolarHBondContact O-CD1 3.48Å; L162-I241 HydrophobicContact CD2-CD1 4.25Å; L162-I241 HydrophobicContact CD2-CG1 3.78Å; L162-I241 HydrophobicContact CG-CD1 4.44Å; L162-I241 HydrophobicContact CG-CG1 4.46Å; R238-I241 WeakPolarHBondContact O-CB 3.36Å; R238-I241 PolarHBondContact O-N 3.15Å; D239-I241 PolarHBondContact O-N 3.27Å; I241-G243 VanDerWaalsContact C-N 3.28Å; I241-G243 PolarHBondContact O-N 3.06Å |
| 242 | M | 97.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | trans | -92 | 57.4 | 178.8 | -62.8 | -161 | 169.4 | 0 | 0 | 111.3 | P124 M127 I130 T131 Y240 H244 L245 L246 | P124-M242 HydrophobicContact CG-CE 3.64Å; P124-M242 HydrophobicContact CG-SD 4.35Å; M127-M242 HydrophobicContact CE-CE 4.18Å; M127-M242 HydrophobicContact SD-CE 3.7Å; I130-M242 HydrophobicContact CB-CG 4.19Å; I130-M242 HydrophobicContact CB-SD 4.24Å; I130-M242 HydrophobicContact CD1-CB 4.34Å; I130-M242 HydrophobicContact CD1-CG 4.33Å; I130-M242 HydrophobicContact CD1-SD 3.71Å; I130-M242 HydrophobicContact CG2-CE 4.02Å; I130-M242 HydrophobicContact CG2-CG 4.19Å; I130-M242 HydrophobicContact CG2-SD 3.85Å; T131-M242 PolarHBondContact O-N 3.18Å; Y240-M242 PolarHBondContact O-N 3.41Å; M242-H244 PolarHBondContact O-N 2.94Å; M242-L245 HydrophobicContact CB-CB 4.31Å; M242-L245 HydrophobicContact CB-CD1 4.25Å; M242-L245 HydrophobicContact CB-CG 4.46Å; M242-L245 PolarHBondContact O-N 2.89Å; M242-L245 HydrophobicContact SD-CD1 3.79Å; M242-L246 PolarHBondContact O-N 3.25Å | ||
| 243 | G | 96.2 | Very high | 96.2 | Very high | 29 Ų | 29 | 60.3 Ų | 60.3 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I241 L246 | I241-G243 VanDerWaalsContact C-N 3.28Å; I241-G243 PolarHBondContact O-N 3.06Å; G243-L246 CarbonylContact C-O 3.53Å; G243-L246 WeakPolarHBondContact CA-O 3.26Å |
| 244 | H | 95.9 | Very high | 96.1 | Very high | 121 Ų | 121 | 61.6 Ų | 61.6 | 56% | 0.56 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13.7 | 171.1 | 68.8 | -80.3 | 0 | 0 | 0 | 112.6 | M242 V248 H259 | M242-H244 PolarHBondContact O-N 2.94Å; H244-V248 WeakPolarHBondContact O-CG2 3.46Å; H244-H259 PolarHBondContact O-ND1 3.33Å |
| 245 | L | 97 | Very high | 96.1 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -40 | 176.7 | -62.9 | 178.6 | 0 | 0 | 0 | 112 | F121 M242 E258 I260 H261 | F121-L245 HydrophobicContact CE2-CD1 3.86Å; M242-L245 HydrophobicContact CB-CB 4.31Å; M242-L245 HydrophobicContact CB-CD1 4.25Å; M242-L245 HydrophobicContact CB-CG 4.46Å; M242-L245 PolarHBondContact O-N 2.89Å; M242-L245 HydrophobicContact SD-CD1 3.79Å; L245-E258 WeakPolarHBondContact CD2-O 3.43Å; L245-I260 HydrophobicContact CB-CD1 4.09Å; L245-I260 HydrophobicContact CD1-CD1 4.33Å; L245-I260 HydrophobicContact CD2-CD1 4.49Å; L245-I260 PolarHBondContact O-N 2.86Å; L245-H261 PolarHBondContact O-N 3.39Å |
| 246 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -118.6 | 147.7 | -174.4 | -57.9 | -179.2 | 0 | 0 | 0 | 110.9 | L106 I130 T165 L167 M242 G243 V248 I260 H261 | L106-L246 HydrophobicContact CD1-CD2 4.29Å; I130-L246 HydrophobicContact CD1-CD1 3.83Å; I130-L246 HydrophobicContact CD1-CG 4.47Å; I130-L246 HydrophobicContact CG1-CD1 3.81Å; T165-L246 HydrophobicContact CG2-CB 4.27Å; T165-L246 HydrophobicContact CG2-CD2 4.41Å; L167-L246 HydrophobicContact CB-CD1 3.93Å; M242-L246 PolarHBondContact O-N 3.25Å; G243-L246 CarbonylContact C-O 3.53Å; G243-L246 WeakPolarHBondContact CA-O 3.26Å; L246-V248 PolarHBondContact O-N 2.87Å; L246-I260 HydrophobicContact CD2-CB 4.26Å; L246-I260 HydrophobicContact CD2-CG2 4.39Å; L246-H261 HydrophobicContact CD2-CB 3.79Å |
| 247 | D | 95.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 51.1 | 35.5 | -172.2 | -71.9 | -40 | 0 | 0 | 0 | 114.1 | G132 T165 H261 H263 | G132-D247 WeakPolarHBondContact CA-OD2 3.46Å; T165-D247 WeakPolarHBondContact CB-OD1 3.22Å; T165-D247 VanDerWaalsContact CB-OD2 3.24Å; T165-D247 WeakPolarHBondContact CB-OD2 3.47Å; T165-D247 PolarHBondContact N-OD2 3.06Å; T165-D247 VanDerWaalsContact OG1-CG 3.26Å; T165-D247 PolarHBondContact OG1-OD1 3.29Å; T165-D247 PolarHBondContact OG1-OD2 2.82Å; D247-H261 PolarHBondContact N-ND1 3.01Å; D247-H261 VanDerWaalsContact N-ND1 3.19Å; D247-H261 PolarHBondContact N-O 3.15Å; D247-H261 IonicContact OD1-CE1 3.36Å; D247-H261 PolarHBondContact OD1-CE1 3.35Å; D247-H261 IonicContact OD1-ND1 3.99Å; D247-H263 HydrophobicContact CB-CB 4.42Å; D247-H263 IonicContact OD1-CG 3.24Å; D247-H263 IonicContact OD1-ND1 3.86Å; D247-H263 PolarHBondContact OD1-ND1 2.86Å |
| 248 | V | 95.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 135.5 | 178 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | H244 L246 R252 H259 H261 I262 H263 | H244-V248 WeakPolarHBondContact O-CG2 3.46Å; L246-V248 PolarHBondContact O-N 2.87Å; V248-R252 HydrophobicContact CG1-CB 4.25Å; V248-R252 HydrophobicContact CG1-CG 3.7Å; V248-H259 HydrophobicContact CB-CB 4.35Å; V248-H259 HydrophobicContact CG1-CB 4.4Å; V248-H259 HydrophobicContact CG2-CB 3.96Å; V248-H261 PolarHBondContact N-O 3.24Å; V248-I262 HydrophobicContact CB-CG1 4.39Å; V248-I262 CarbonylContact O-C 3.44Å; V248-I262 VanDerWaalsContact O-CA 3.24Å; V248-I262 WeakPolarHBondContact O-CA 3.31Å; V248-I262 VanDerWaalsContact O-CG2 3.28Å; V248-I262 WeakPolarHBondContact O-CG2 3.47Å; V248-H263 PolarHBondContact O-N 3.32Å |
| 249 | E | 94.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 49.5 Ų | 49.5 | 33% | 0.327 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 138.8 | -178.7 | -63.5 | 156.1 | 154.5 | 0 | 0 | 111.6 | C251 R252 | E249-C251 PolarHBondContact O-N 2.59Å; E249-R252 HydrophobicContact CB-CG 4.26Å; E249-R252 WeakPolarHBondContact O-CB 2.93Å; E249-R252 WeakPolarHBondContact O-CG 3.18Å; E249-R252 PolarHBondContact O-N 3Å; E249-R252 IonicContact OE2-CZ 3.37Å; E249-R252 IonicContact OE2-NE 3.83Å; E249-R252 PolarHBondContact OE2-NE 3.44Å; E249-R252 VanDerWaalsContact OE2-NE 3.08Å; E249-R252 IonicContact OE2-NH2 3.22Å; E249-R252 PolarHBondContact OE2-NH2 3.48Å |
| 250 | S | 95.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -4.4 | -179.2 | 54.2 | 0 | 0 | 0 | 0 | 115.5 | H263 C269 F271 F308 | S250-H263 PolarHBondContact N-O 2.82Å; S250-C269 PolarHBondContact OG-SG 3.17Å; S250-C269 VanDerWaalsContact OG-SG 3.39Å; S250-F271 PolarHBondContact OG-O 2.67Å; S250-F308 WeakPolarHBondContact O-CA 3.27Å; S250-F308 WeakPolarHBondContact O-CB 3.44Å |
| 251 | C | 92.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.7 | 178.8 | -3.7 | 0 | 0 | 0 | 0 | 112.6 | E249 R253 C269 E270 | E249-C251 PolarHBondContact O-N 2.59Å; C251-R253 PolarHBondContact O-N 3.44Å; C251-C269 WeakPolarHBondContact CA-SG 3.36Å; C251-C269 HydrophobicContact CB-CB 4.05Å; C251-C269 WeakPolarHBondContact CB-SG 3.18Å; C251-C269 PolarHBondContact N-SG 3.4Å; C251-C269 WeakPolarHBondContact SG-CB 2.8Å; C251-C269 CovalentContact SG-SG 2.04Å; C251-C269 PolarHBondContact SG-SG 3.35Å; C251-E270 WeakPolarHBondContact CB-OE2 3.39Å |
| 252 | R | 94 | Very high | 95.8 | Very high | 121 Ų | 121 | 42.1 Ų | 42.1 | 46% | 0.457 | 20% | 0.203 | S | C | . | . | trans | -61.1 | 141.8 | -172.5 | -73.4 | -78.5 | 172.2 | 167.6 | -2 | 111.2 | V248 E249 V307 F308 | V248-R252 HydrophobicContact CG1-CB 4.25Å; V248-R252 HydrophobicContact CG1-CG 3.7Å; E249-R252 HydrophobicContact CB-CG 4.26Å; E249-R252 WeakPolarHBondContact O-CB 2.93Å; E249-R252 WeakPolarHBondContact O-CG 3.18Å; E249-R252 PolarHBondContact O-N 3Å; E249-R252 IonicContact OE2-CZ 3.37Å; E249-R252 IonicContact OE2-NE 3.83Å; E249-R252 PolarHBondContact OE2-NE 3.44Å; E249-R252 VanDerWaalsContact OE2-NE 3.08Å; E249-R252 IonicContact OE2-NH2 3.22Å; E249-R252 PolarHBondContact OE2-NH2 3.48Å; R252-V307 HydrophobicContact CB-CB 3.79Å; R252-V307 HydrophobicContact CB-CG1 4.13Å; R252-V307 HydrophobicContact CB-CG2 3.95Å; R252-V307 WeakPolarHBondContact O-CB 3.37Å; R252-V307 PolarHBondContact O-N 3Å; R252-F308 WeakPolarHBondContact O-CD1 3.37Å; R252-F308 PolarHBondContact O-N 3.25Å | ||
| 253 | R | 95.2 | Very high | 95.7 | Very high | 184 Ų | 184 | 42.1 Ų | 42.1 | 69% | 0.694 | 20% | 0.202 | S | C | * | . | trans | -96.3 | -9.2 | 177.8 | -64.8 | -176.9 | 175.1 | -130.6 | -7.1 | 113.2 | C251 E270 F308 | C251-R253 PolarHBondContact O-N 3.44Å; R253-E270 IonicContact CZ-OE1 3.68Å; R253-E270 IonicContact NE-OE1 3.55Å; R253-E270 IonicContact NH2-OE1 2.91Å; R253-E270 PolarHBondContact NH2-OE1 2.87Å; R253-F308 HydrophobicContact CG-CD1 4.36Å; R253-F308 HydrophobicContact CG-CE1 4.31Å | ||
| 254 | S | 95.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -64 | 160.8 | 171.8 | 39.8 | 0 | 0 | 0 | 0 | 111.1 | H259 P306 V307 | S254-H259 WeakPolarHBondContact CB-NE2 3.2Å; S254-H259 PolarHBondContact OG-CE1 3.25Å; S254-H259 PolarHBondContact OG-NE2 3.47Å; S254-P306 WeakPolarHBondContact O-CA 3.4Å; S254-V307 PolarHBondContact O-N 2.92Å; S254-V307 VanDerWaalsContact O-N 3.09Å |
| 255 | N | 95.7 | Very high | 95.1 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | B | Isolated β-bridge | trans | -66.6 | 139.2 | -178.7 | -170.6 | -65.3 | 0 | 0 | 0 | 110.3 | L257 E258 H259 A303 | N255-L257 PolarHBondContact O-N 3.26Å; N255-L257 VanDerWaalsContact O-N 3.14Å; N255-L257 VanDerWaalsContact OD1-CB 3.29Å; N255-L257 WeakPolarHBondContact OD1-CB 3.28Å; N255-L257 WeakPolarHBondContact OD1-CG 3.24Å; N255-L257 PolarHBondContact OD1-N 2.87Å; N255-E258 HydrophobicContact CB-CG 4.31Å; N255-E258 WeakPolarHBondContact CB-OE1 3.28Å; N255-E258 PolarHBondContact N-OE1 2.9Å; N255-E258 WeakPolarHBondContact O-CB 3.5Å; N255-E258 PolarHBondContact O-N 3.42Å; N255-E258 VanDerWaalsContact O-N 3.09Å; N255-H259 PolarHBondContact O-CD2 3.5Å; N255-H259 VanDerWaalsContact O-CD2 3.27Å; N255-A303 PolarHBondContact ND2-O 3.39Å |
| 256 | I | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -59 | -26.3 | 179.1 | -170.8 | 62.6 | 0 | 0 | 0 | 113.5 | E258 H259 I262 A302 L305 V307 Y310 | I256-E258 PolarHBondContact O-N 3.33Å; I256-H259 PolarHBondContact O-N 2.67Å; I256-I262 HydrophobicContact CD1-CD1 3.44Å; I256-I262 VanDerWaalsContact CD1-CD1 3.44Å; I256-I262 HydrophobicContact CD1-CG1 3.97Å; I256-A302 WeakPolarHBondContact CG2-O 3.32Å; I256-L305 WeakPolarHBondContact CG2-O 3.26Å; I256-L305 PolarHBondContact N-O 3.01Å; I256-L305 VanDerWaalsContact N-O 3.07Å; I256-V307 HydrophobicContact CD1-CB 4.5Å; I256-V307 HydrophobicContact CD1-CG2 4.01Å; I256-Y310 HydrophobicContact CB-CD2 4.49Å; I256-Y310 HydrophobicContact CB-CG 4.21Å; I256-Y310 HydrophobicContact CD1-CD1 3.36Å; I256-Y310 HydrophobicContact CD1-CE1 3.92Å; I256-Y310 HydrophobicContact CD1-CG 3.72Å; I256-Y310 HydrophobicContact CG1-CD1 3.6Å; I256-Y310 HydrophobicContact CG1-CD2 3.86Å; I256-Y310 HydrophobicContact CG1-CE1 4.03Å; I256-Y310 HydrophobicContact CG1-CE2 4.29Å; I256-Y310 HydrophobicContact CG1-CG 3.51Å; I256-Y310 HydrophobicContact CG2-CD2 4.37Å |
| 257 | L | 93.9 | Very high | 93.3 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -73.3 | -12 | 178.9 | -61.8 | -176.8 | 0 | 0 | 0 | 114.1 | P116 A117 N255 H259 A303 | P116-L257 HydrophobicContact CB-CD2 3.96Å; P116-L257 HydrophobicContact CG-CD2 4.17Å; A117-L257 VanDerWaalsContact CB-O 3.3Å; A117-L257 WeakPolarHBondContact CB-O 3.35Å; N255-L257 PolarHBondContact O-N 3.26Å; N255-L257 VanDerWaalsContact O-N 3.14Å; N255-L257 VanDerWaalsContact OD1-CB 3.29Å; N255-L257 WeakPolarHBondContact OD1-CB 3.28Å; N255-L257 WeakPolarHBondContact OD1-CG 3.24Å; N255-L257 PolarHBondContact OD1-N 2.87Å; L257-H259 VanDerWaalsContact C-N 3.26Å; L257-A303 HydrophobicContact CD1-CB 3.59Å; L257-A303 HydrophobicContact CG-CB 4.3Å |
| 258 | E | 95 | Very high | 92.5 | Very high | 114 Ų | 114 | 53.5 Ų | 53.5 | 53% | 0.533 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -81.2 | -10.3 | 174.9 | -65.5 | 171 | -142.7 | 0 | 0 | 112.5 | L245 N255 I256 | L245-E258 WeakPolarHBondContact CD2-O 3.43Å; N255-E258 HydrophobicContact CB-CG 4.31Å; N255-E258 WeakPolarHBondContact CB-OE1 3.28Å; N255-E258 PolarHBondContact N-OE1 2.9Å; N255-E258 WeakPolarHBondContact O-CB 3.5Å; N255-E258 PolarHBondContact O-N 3.42Å; N255-E258 VanDerWaalsContact O-N 3.09Å; I256-E258 PolarHBondContact O-N 3.33Å |
| 259 | H | 96.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 6% | 0.06 | 26% | 0.256 | C | S | . | . | trans | -128 | 145.8 | -170.3 | -51.8 | -54.5 | 0 | 0 | 0 | 109.2 | S115 A117 H244 V248 S254 N255 I256 L257 I262 V307 | S115-H259 WeakPolarHBondContact CB-O 3.23Å; S115-H259 PolarHBondContact OG-O 3.25Å; A117-H259 VanDerWaalsContact CB-O 3.23Å; A117-H259 WeakPolarHBondContact CB-O 2.91Å; H244-H259 PolarHBondContact O-ND1 3.33Å; V248-H259 HydrophobicContact CB-CB 4.35Å; V248-H259 HydrophobicContact CG1-CB 4.4Å; V248-H259 HydrophobicContact CG2-CB 3.96Å; S254-H259 WeakPolarHBondContact CB-NE2 3.2Å; S254-H259 PolarHBondContact OG-CE1 3.25Å; S254-H259 PolarHBondContact OG-NE2 3.47Å; N255-H259 PolarHBondContact O-CD2 3.5Å; N255-H259 VanDerWaalsContact O-CD2 3.27Å; I256-H259 PolarHBondContact O-N 2.67Å; L257-H259 VanDerWaalsContact C-N 3.26Å; H259-I262 HydrophobicContact CB-CD1 4.24Å; H259-V307 WeakPolarHBondContact CD2-CG2 3.37Å | ||
| 260 | I | 96.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -97.6 | -37.8 | 179.2 | -61.2 | 163.9 | 0 | 0 | 0 | 110.3 | S115 A117 I118 F121 L245 L246 | S115-I260 PolarHBondContact N-O 3.06Å; S115-I260 WeakPolarHBondContact OG-CA 3.5Å; S115-I260 PolarHBondContact OG-O 3.24Å; A117-I260 HydrophobicContact CB-CG1 4.45Å; I118-I260 HydrophobicContact CB-CG2 3.89Å; I118-I260 HydrophobicContact CD1-CG2 4.06Å; I118-I260 HydrophobicContact CG1-CG2 3.86Å; F121-I260 HydrophobicContact CB-CD1 3.82Å; F121-I260 HydrophobicContact CB-CG1 4.3Å; F121-I260 HydrophobicContact CD1-CD1 3.86Å; F121-I260 HydrophobicContact CD2-CD1 3.18Å; F121-I260 HydrophobicContact CD2-CG1 4.27Å; F121-I260 HydrophobicContact CE1-CD1 4.21Å; F121-I260 HydrophobicContact CE2-CD1 3.58Å; F121-I260 HydrophobicContact CG-CD1 3.3Å; F121-I260 HydrophobicContact CG-CG1 4.29Å; F121-I260 HydrophobicContact CZ-CD1 4.07Å; L245-I260 HydrophobicContact CB-CD1 4.09Å; L245-I260 HydrophobicContact CD1-CD1 4.33Å; L245-I260 HydrophobicContact CD2-CD1 4.49Å; L245-I260 PolarHBondContact O-N 2.86Å; L246-I260 HydrophobicContact CD2-CB 4.26Å; L246-I260 HydrophobicContact CD2-CG2 4.39Å |
| 261 | H | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 126.7 | -168.8 | 171.4 | -72.6 | 0 | 0 | 0 | 110.8 | T108 S112 F113 T165 L245 L246 D247 V248 | T108-H261 WeakPolarHBondContact CB-NE2 3.33Å; T108-H261 PolarHBondContact OG1-CD2 2.92Å; T108-H261 VanDerWaalsContact OG1-CD2 3.24Å; T108-H261 PolarHBondContact OG1-NE2 3.34Å; S112-H261 VanDerWaalsContact CB-NE2 3.25Å; S112-H261 WeakPolarHBondContact CB-NE2 3.32Å; S112-H261 PolarHBondContact OG-CE1 3.21Å; S112-H261 VanDerWaalsContact OG-CE1 3.29Å; S112-H261 PolarHBondContact OG-NE2 2.94Å; F113-H261 WeakPolarHBondContact O-CA 3.29Å; T165-H261 PolarHBondContact OG1-CE1 2.96Å; T165-H261 VanDerWaalsContact OG1-CE1 3.24Å; L245-H261 PolarHBondContact O-N 3.39Å; L246-H261 HydrophobicContact CD2-CB 3.79Å; D247-H261 PolarHBondContact N-ND1 3.01Å; D247-H261 VanDerWaalsContact N-ND1 3.19Å; D247-H261 PolarHBondContact N-O 3.15Å; D247-H261 IonicContact OD1-CE1 3.36Å; D247-H261 PolarHBondContact OD1-CE1 3.35Å; D247-H261 IonicContact OD1-ND1 3.99Å; V248-H261 PolarHBondContact N-O 3.24Å |
| 262 | I | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.2 | -174.5 | -59.7 | 79.4 | 0 | 0 | 0 | 107.9 | S112 F113 V248 I256 H259 V307 | S112-I262 CarbonylContact C-O 3.51Å; S112-I262 WeakPolarHBondContact CA-O 3.25Å; S112-I262 VanDerWaalsContact CB-O 3.27Å; S112-I262 WeakPolarHBondContact CB-O 3.41Å; F113-I262 HydrophobicContact CB-CB 4.27Å; F113-I262 PolarHBondContact N-O 3.06Å; F113-I262 PolarHBondContact O-N 3.48Å; V248-I262 HydrophobicContact CB-CG1 4.39Å; V248-I262 CarbonylContact O-C 3.44Å; V248-I262 VanDerWaalsContact O-CA 3.24Å; V248-I262 WeakPolarHBondContact O-CA 3.31Å; V248-I262 VanDerWaalsContact O-CG2 3.28Å; V248-I262 WeakPolarHBondContact O-CG2 3.47Å; I256-I262 HydrophobicContact CD1-CD1 3.44Å; I256-I262 VanDerWaalsContact CD1-CD1 3.44Å; I256-I262 HydrophobicContact CD1-CG1 3.97Å; H259-I262 HydrophobicContact CB-CD1 4.24Å; I262-V307 HydrophobicContact CB-CG1 4.42Å; I262-V307 HydrophobicContact CG1-CG1 3.86Å; I262-V307 HydrophobicContact CG2-CG1 3.65Å |
| 263 | H | 95.5 | Very high | 91.3 | Very high | 26 Ų | 26 | 50 Ų | 50 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.5 | -178.3 | -169.8 | 164.6 | 0 | 0 | 0 | 109.5 | D109 D111 D247 V248 S250 W265 | D109-H263 IonicContact OD2-CE1 2.77Å; D109-H263 PolarHBondContact OD2-CE1 2.84Å; D109-H263 VanDerWaalsContact OD2-CE1 3.24Å; D109-H263 IonicContact OD2-ND1 2.63Å; D109-H263 IonicContact OD2-NE2 3.83Å; D111-H263 IonicContact OD1-CD2 3.49Å; D111-H263 IonicContact OD1-NE2 2.97Å; D247-H263 HydrophobicContact CB-CB 4.42Å; D247-H263 IonicContact OD1-CG 3.24Å; D247-H263 IonicContact OD1-ND1 3.86Å; D247-H263 PolarHBondContact OD1-ND1 2.86Å; V248-H263 PolarHBondContact O-N 3.32Å; S250-H263 PolarHBondContact N-O 2.82Å; H263-W265 AromaticContact CG-CD1 3.61Å; H263-W265 AromaticContact CG-NE1 3.66Å; H263-W265 AromaticContact ND1-NE1 3.78Å; H263-W265 PolarHBondContact O-N 2.86Å; H263-W265 VanDerWaalsContact O-N 3.14Å |
| 264 | T | 93.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | trans | -83.6 | 80.3 | 174 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | F3 D111 F113 F271 K273 | F3-T264 HydrophobicContact CD2-CG2 4.24Å; F3-T264 HydrophobicContact CE2-CG2 4.38Å; D111-T264 WeakPolarHBondContact CB-OG1 3.41Å; D111-T264 WeakPolarHBondContact O-CB 3.46Å; D111-T264 WeakPolarHBondContact O-CG2 3.06Å; D111-T264 PolarHBondContact O-N 3.33Å; D111-T264 PolarHBondContact O-OG1 3.33Å; F113-T264 HydrophobicContact CD2-CG2 4.05Å; F113-T264 HydrophobicContact CE2-CG2 3.42Å; F113-T264 VanDerWaalsContact CE2-CG2 3.42Å; F113-T264 HydrophobicContact CZ-CG2 4.41Å; T264-F271 HydrophobicContact CG2-CD1 3.88Å; T264-F271 HydrophobicContact CG2-CE1 3.63Å; T264-K273 PolarHBondContact O-NZ 3.32Å; T264-K273 WeakPolarHBondContact OG1-CD 3.08Å | ||
| 265 | W | 84.8 | Confident | 90.9 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 25% | 0.254 | 24% | 0.244 | S | C | . | . | trans | -62.6 | 160.4 | 178.7 | -72.4 | 44.4 | 0 | 0 | 0 | 111.5 | K133 H263 S267 | K133-W265 VanDerWaalsContact O-CZ2 3.26Å; K133-W265 WeakPolarHBondContact O-CZ2 3.45Å; H263-W265 AromaticContact CG-CD1 3.61Å; H263-W265 AromaticContact CG-NE1 3.66Å; H263-W265 AromaticContact ND1-NE1 3.78Å; H263-W265 PolarHBondContact O-N 2.86Å; H263-W265 VanDerWaalsContact O-N 3.14Å; W265-S267 PolarHBondContact O-N 3.44Å | ||
| 266 | H | 81.4 | Confident | 90.8 | Very high | 147 Ų | 147 | 47.2 Ų | 47.2 | 68% | 0.681 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -80.7 | 53.8 | 178.9 | -61 | 179.3 | 0 | 0 | 0 | 111.3 | K273 F274 | H266-K273 VanDerWaalsContact CD2-CE 3.45Å; H266-K273 WeakPolarHBondContact CD2-CE 3.47Å; H266-K273 PolarHBondContact CD2-NZ 2.6Å; H266-K273 WeakPolarHBondContact NE2-CE 3.34Å; H266-K273 PolarHBondContact NE2-NZ 2.94Å; H266-F274 AromaticContact CD2-CE2 3.89Å |
| 267 | S | 76.4 | Confident | 90.6 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -118.5 | 155.3 | 179.2 | 53.5 | 0 | 0 | 0 | 0 | 111 | W265 C269 N272 | W265-S267 PolarHBondContact O-N 3.44Å; S267-C269 WeakPolarHBondContact O-CB 3.34Å; S267-C269 PolarHBondContact O-N 3.03Å; S267-N272 PolarHBondContact O-ND2 2.51Å |
| 268 | D | 78.7 | Confident | 90.5 | Very high | 167 Ų | 167 | 53.8 Ų | 53.8 | 89% | 0.893 | 27% | 0.267 | S | S | * | . | trans | -66.9 | 118.6 | 165.4 | -164.5 | 8.9 | 0 | 0 | 0 | 108.1 | ||||
| 269 | C | 82.6 | Confident | 90.3 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | trans | -155.9 | 140.8 | -158.6 | -170.1 | 0 | 0 | 0 | 0 | 108.6 | S250 C251 S267 F271 | S250-C269 PolarHBondContact OG-SG 3.17Å; S250-C269 VanDerWaalsContact OG-SG 3.39Å; C251-C269 WeakPolarHBondContact CA-SG 3.36Å; C251-C269 HydrophobicContact CB-CB 4.05Å; C251-C269 WeakPolarHBondContact CB-SG 3.18Å; C251-C269 PolarHBondContact N-SG 3.4Å; C251-C269 WeakPolarHBondContact SG-CB 2.8Å; C251-C269 CovalentContact SG-SG 2.04Å; C251-C269 PolarHBondContact SG-SG 3.35Å; S267-C269 WeakPolarHBondContact O-CB 3.34Å; S267-C269 PolarHBondContact O-N 3.03Å; C269-F271 CarbonylContact O-C 3.47Å; C269-F271 PolarHBondContact O-N 3.5Å; C269-F271 VanDerWaalsContact O-N 3.14Å; C269-F271 PolarHBondContact SG-O 3.28Å | ||
| 270 | E | 87.9 | Confident | 90 | Very high | 98 Ų | 98 | 51.5 Ų | 51.5 | 46% | 0.458 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -52.4 | -39.1 | 179.8 | -75.9 | 95.5 | 141.9 | 0 | 0 | 112.4 | C251 R253 F308 | C251-E270 WeakPolarHBondContact CB-OE2 3.39Å; R253-E270 IonicContact CZ-OE1 3.68Å; R253-E270 IonicContact NE-OE1 3.55Å; R253-E270 IonicContact NH2-OE1 2.91Å; R253-E270 PolarHBondContact NH2-OE1 2.87Å; E270-F308 HydrophobicContact CB-CB 4.01Å; E270-F308 HydrophobicContact CB-CD2 4.15Å; E270-F308 HydrophobicContact CB-CG 4.2Å |
| 271 | F | 91.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -106 | 109.6 | 162 | -175.7 | -92 | 0 | 0 | 0 | 110.4 | F3 F113 S250 T264 C269 F276 C311 T312 A315 | F3-F271 HydrophobicContact CE1-CZ 4.42Å; F3-F271 HydrophobicContact CE2-CE1 4.39Å; F3-F271 HydrophobicContact CE2-CZ 4.5Å; F3-F271 HydrophobicContact CZ-CE1 4.5Å; F3-F271 HydrophobicContact CZ-CZ 4.17Å; F113-F271 HydrophobicContact CE2-CD1 4.07Å; F113-F271 AromaticContact CE2-CE1 3.56Å; F113-F271 HydrophobicContact CE2-CE1 3.56Å; F113-F271 HydrophobicContact CE2-CZ 4.18Å; F113-F271 HydrophobicContact CZ-CD1 4.33Å; F113-F271 AromaticContact CZ-CE1 3.54Å; F113-F271 HydrophobicContact CZ-CE1 3.54Å; F113-F271 AromaticContact CZ-CZ 3.65Å; F113-F271 HydrophobicContact CZ-CZ 3.65Å; S250-F271 PolarHBondContact OG-O 2.67Å; T264-F271 HydrophobicContact CG2-CD1 3.88Å; T264-F271 HydrophobicContact CG2-CE1 3.63Å; C269-F271 CarbonylContact O-C 3.47Å; C269-F271 PolarHBondContact O-N 3.5Å; C269-F271 VanDerWaalsContact O-N 3.14Å; C269-F271 PolarHBondContact SG-O 3.28Å; F271-F276 HydrophobicContact CE2-CB 4.38Å; F271-F276 HydrophobicContact CE2-CD2 4.33Å; F271-F276 HydrophobicContact CE2-CG 4.3Å; F271-F276 HydrophobicContact CZ-CB 4.41Å; F271-F276 HydrophobicContact CZ-CG 4.37Å; F271-C311 HydrophobicContact CB-CB 4.02Å; F271-C311 HydrophobicContact CD1-CB 3.76Å; F271-C311 HydrophobicContact CD2-CB 4.09Å; F271-C311 HydrophobicContact CE1-CB 4.28Å; F271-C311 HydrophobicContact CG-CB 3.65Å; F271-T312 WeakPolarHBondContact CD2-OG1 3.44Å; F271-A315 HydrophobicContact CE2-CB 3.62Å; F271-A315 HydrophobicContact CZ-CB 3.61Å |
| 272 | N | 91.9 | Very high | 89.3 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | trans | -117.6 | 128.3 | 174.7 | -178.6 | -69.3 | 0 | 0 | 0 | 110.6 | S267 F274 T275 F276 | S267-N272 PolarHBondContact O-ND2 2.51Å; N272-F274 PolarHBondContact O-N 3.45Å; N272-F274 WeakPolarHBondContact OD1-CA 3.36Å; N272-F274 WeakPolarHBondContact OD1-CB 3.45Å; N272-F274 PolarHBondContact OD1-N 3.5Å; N272-T275 PolarHBondContact OD1-N 3.48Å; N272-T275 VanDerWaalsContact OD1-N 3.1Å; N272-T275 PolarHBondContact OD1-OG1 3.47Å; N272-F276 WeakPolarHBondContact O-CB 3.17Å; N272-F276 PolarHBondContact O-N 3.4Å | ||
| 273 | K | 92 | Very high | 88.9 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -34.5 | -176.5 | 66 | 177.9 | 169.8 | -139.2 | 0 | 114 | F3 D111 T264 H266 L277 | F3-K273 HydrophobicContact CE2-CB 3.68Å; F3-K273 HydrophobicContact CZ-CB 4.15Å; D111-K273 HydrophobicContact CB-CD 4.22Å; D111-K273 IonicContact OD2-NZ 3.82Å; D111-K273 PolarHBondContact OD2-NZ 3.11Å; T264-K273 PolarHBondContact O-NZ 3.32Å; T264-K273 WeakPolarHBondContact OG1-CD 3.08Å; H266-K273 VanDerWaalsContact CD2-CE 3.45Å; H266-K273 WeakPolarHBondContact CD2-CE 3.47Å; H266-K273 PolarHBondContact CD2-NZ 2.6Å; H266-K273 WeakPolarHBondContact NE2-CE 3.34Å; H266-K273 PolarHBondContact NE2-NZ 2.94Å; K273-L277 VanDerWaalsContact O-CB 3.25Å; K273-L277 WeakPolarHBondContact O-CB 3.37Å; K273-L277 WeakPolarHBondContact O-CG 3.42Å; K273-L277 PolarHBondContact O-N 2.86Å |
| 274 | F | 91.7 | Very high | 88.4 | Confident | 87 Ų | 87 | 68 Ų | 68 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.1 | -48.7 | -178.9 | -59.4 | -71.5 | 0 | 0 | 0 | 109.8 | H266 N272 F276 L277 E278 | H266-F274 AromaticContact CD2-CE2 3.89Å; N272-F274 PolarHBondContact O-N 3.45Å; N272-F274 WeakPolarHBondContact OD1-CA 3.36Å; N272-F274 WeakPolarHBondContact OD1-CB 3.45Å; N272-F274 PolarHBondContact OD1-N 3.5Å; F274-F276 PolarHBondContact O-N 3.48Å; F274-L277 PolarHBondContact O-N 3.49Å; F274-E278 WeakPolarHBondContact O-CB 3.48Å; F274-E278 VanDerWaalsContact O-CG 3.31Å; F274-E278 WeakPolarHBondContact O-CG 3.31Å; F274-E278 PolarHBondContact O-N 3.44Å |
| 275 | T | 91.6 | Very high | 88.2 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 62% | 0.62 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.8 | -33.3 | 174.5 | -48 | 0 | 0 | 0 | 0 | 112.1 | N272 P279 | N272-T275 PolarHBondContact OD1-N 3.48Å; N272-T275 VanDerWaalsContact OD1-N 3.1Å; N272-T275 PolarHBondContact OD1-OG1 3.47Å; T275-P279 VanDerWaalsContact O-CD 3.24Å; T275-P279 WeakPolarHBondContact O-CD 3.22Å; T275-P279 WeakPolarHBondContact O-CG 3.47Å |
| 276 | F | 92.2 | Very high | 88.5 | Confident | 23 Ų | 23 | 74.9 Ų | 74.9 | 10% | 0.101 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73 | -53.3 | 173 | 178.5 | -99.3 | 0 | 0 | 0 | 112.8 | F3 F271 N272 F274 I280 A315 W316 L319 | F3-F276 AromaticContact CE1-CD1 3.93Å; F3-F276 HydrophobicContact CE1-CD1 3.93Å; F3-F276 AromaticContact CE1-CE1 3.9Å; F3-F276 HydrophobicContact CE1-CE1 3.9Å; F3-F276 AromaticContact CZ-CD1 3.95Å; F3-F276 HydrophobicContact CZ-CD1 3.95Å; F3-F276 HydrophobicContact CZ-CE1 4.39Å; F271-F276 HydrophobicContact CE2-CB 4.38Å; F271-F276 HydrophobicContact CE2-CD2 4.33Å; F271-F276 HydrophobicContact CE2-CG 4.3Å; F271-F276 HydrophobicContact CZ-CB 4.41Å; F271-F276 HydrophobicContact CZ-CG 4.37Å; N272-F276 WeakPolarHBondContact O-CB 3.17Å; N272-F276 PolarHBondContact O-N 3.4Å; F274-F276 PolarHBondContact O-N 3.48Å; F276-I280 HydrophobicContact CD1-CD1 4.07Å; F276-I280 HydrophobicContact CD2-CD1 4.39Å; F276-I280 HydrophobicContact CE1-CD1 3.66Å; F276-I280 HydrophobicContact CE2-CD1 4.03Å; F276-I280 HydrophobicContact CG-CD1 4.4Å; F276-I280 HydrophobicContact CZ-CD1 3.64Å; F276-I280 WeakPolarHBondContact O-CD1 2.89Å; F276-I280 WeakPolarHBondContact O-CG1 3.41Å; F276-A315 HydrophobicContact CD1-CB 4.28Å; F276-A315 HydrophobicContact CD2-CB 4.26Å; F276-A315 HydrophobicContact CE1-CB 3.86Å; F276-A315 HydrophobicContact CE2-CB 3.81Å; F276-A315 HydrophobicContact CG-CB 4.49Å; F276-A315 HydrophobicContact CZ-CB 3.6Å; F276-A315 WeakPolarHBondContact CZ-O 3.42Å; F276-W316 AromaticContact CE2-CD1 3.86Å; F276-W316 AromaticContact CE2-CD2 3.76Å; F276-W316 HydrophobicContact CE2-CD2 3.76Å; F276-W316 AromaticContact CE2-CE2 3.67Å; F276-W316 HydrophobicContact CE2-CE3 4.35Å; F276-W316 AromaticContact CE2-CG 3.91Å; F276-W316 HydrophobicContact CE2-CG 3.91Å; F276-W316 HydrophobicContact CE2-CZ2 4.21Å; F276-W316 AromaticContact CE2-NE1 3.72Å; F276-L319 HydrophobicContact CZ-CB 4.4Å; F276-L319 HydrophobicContact CZ-CD2 4.39Å |
| 277 | L | 91.8 | Very high | 88.6 | Confident | 66 Ų | 66 | 79.2 Ų | 79.2 | 35% | 0.346 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -78.7 | -38.1 | -169.2 | -69.2 | 172.5 | 0 | 0 | 0 | 114 | F3 K273 F274 I280 I281 | F3-L277 HydrophobicContact CE1-CD2 4.46Å; F3-L277 HydrophobicContact CZ-CD1 4.12Å; F3-L277 HydrophobicContact CZ-CD2 4.26Å; F3-L277 HydrophobicContact CZ-CG 4.14Å; K273-L277 VanDerWaalsContact O-CB 3.25Å; K273-L277 WeakPolarHBondContact O-CB 3.37Å; K273-L277 WeakPolarHBondContact O-CG 3.42Å; K273-L277 PolarHBondContact O-N 2.86Å; F274-L277 PolarHBondContact O-N 3.49Å; L277-I280 WeakPolarHBondContact O-CB 3.22Å; L277-I280 PolarHBondContact O-N 2.77Å; L277-I280 VanDerWaalsContact O-N 3.17Å; L277-I281 HydrophobicContact CB-CD1 4.15Å; L277-I281 WeakPolarHBondContact O-CG1 3.11Å; L277-I281 PolarHBondContact O-N 3.23Å |
| 278 | E | 92.2 | Very high | 89.1 | Confident | 122 Ų | 122 | 79.4 Ų | 79.4 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.8 | -47.5 | -172.3 | -71.9 | 177.5 | 176.7 | 0 | 0 | 113.2 | F274 I280 I281 K282 | F274-E278 WeakPolarHBondContact O-CB 3.48Å; F274-E278 VanDerWaalsContact O-CG 3.31Å; F274-E278 WeakPolarHBondContact O-CG 3.31Å; F274-E278 PolarHBondContact O-N 3.44Å; E278-I280 VanDerWaalsContact C-N 3.28Å; E278-I280 PolarHBondContact O-N 2.89Å; E278-I281 PolarHBondContact O-N 2.83Å; E278-K282 WeakPolarHBondContact O-CB 3.38Å; E278-K282 PolarHBondContact O-N 3.49Å |
| 279 | P | 91.8 | Very high | 89.4 | Confident | 67 Ų | 67 | 81.5 Ų | 81.5 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 176.8 | -21.8 | 34.5 | 0 | 0 | 0 | 112.4 | T275 K282 N283 | T275-P279 VanDerWaalsContact O-CD 3.24Å; T275-P279 WeakPolarHBondContact O-CD 3.22Å; T275-P279 WeakPolarHBondContact O-CG 3.47Å; P279-K282 PolarHBondContact O-N 2.72Å; P279-N283 WeakPolarHBondContact O-CB 3.24Å; P279-N283 VanDerWaalsContact O-CG 3.25Å; P279-N283 PolarHBondContact O-N 3.15Å |
| 280 | I | 90.5 | Very high | 89.5 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 6% | 0.056 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.4 | -49.8 | 178.4 | -63 | 164.9 | 0 | 0 | 0 | 110 | F276 L277 E278 K282 N283 I284 I290 L319 | F276-I280 HydrophobicContact CD1-CD1 4.07Å; F276-I280 HydrophobicContact CD2-CD1 4.39Å; F276-I280 HydrophobicContact CE1-CD1 3.66Å; F276-I280 HydrophobicContact CE2-CD1 4.03Å; F276-I280 HydrophobicContact CG-CD1 4.4Å; F276-I280 HydrophobicContact CZ-CD1 3.64Å; F276-I280 WeakPolarHBondContact O-CD1 2.89Å; F276-I280 WeakPolarHBondContact O-CG1 3.41Å; L277-I280 WeakPolarHBondContact O-CB 3.22Å; L277-I280 PolarHBondContact O-N 2.77Å; L277-I280 VanDerWaalsContact O-N 3.17Å; E278-I280 VanDerWaalsContact C-N 3.28Å; E278-I280 PolarHBondContact O-N 2.89Å; I280-K282 VanDerWaalsContact C-N 3.29Å; I280-K282 PolarHBondContact O-N 2.86Å; I280-N283 PolarHBondContact O-N 2.84Å; I280-I284 HydrophobicContact CG2-CD1 3.75Å; I280-I284 HydrophobicContact CG2-CG1 4.33Å; I280-I284 WeakPolarHBondContact O-CG1 3.15Å; I280-I284 PolarHBondContact O-N 3.15Å; I280-I290 HydrophobicContact CG2-CD1 4.39Å; I280-L319 HydrophobicContact CD1-CD1 4.44Å; I280-L319 HydrophobicContact CD1-CD2 3.45Å; I280-L319 VanDerWaalsContact CD1-CD2 3.45Å; I280-L319 HydrophobicContact CD1-CG 4.49Å; I280-L319 HydrophobicContact CG1-CD2 4.01Å; I280-L319 HydrophobicContact CG2-CD1 3.97Å; I280-L319 HydrophobicContact CG2-CD2 4.33Å |
| 281 | I | 89.2 | Confident | 89.4 | Confident | 98 Ų | 98 | 84.8 Ų | 84.8 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 179.3 | -69.4 | 166.8 | 0 | 0 | 0 | 110.2 | L277 E278 I284 S285 | L277-I281 HydrophobicContact CB-CD1 4.15Å; L277-I281 WeakPolarHBondContact O-CG1 3.11Å; L277-I281 PolarHBondContact O-N 3.23Å; E278-I281 PolarHBondContact O-N 2.83Å; I281-I284 PolarHBondContact O-N 2.9Å; I281-S285 WeakPolarHBondContact O-CB 3.36Å; I281-S285 PolarHBondContact O-N 2.92Å; I281-S285 PolarHBondContact O-OG 2.85Å |
| 282 | K | 91 | Very high | 89.1 | Confident | 136 Ų | 136 | 88 Ų | 88 | 59% | 0.591 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.1 | -49.1 | 175 | -177.3 | 180 | 178.1 | -178 | 0 | 111.4 | E278 P279 I280 S285 L286 | E278-K282 WeakPolarHBondContact O-CB 3.38Å; E278-K282 PolarHBondContact O-N 3.49Å; P279-K282 PolarHBondContact O-N 2.72Å; I280-K282 VanDerWaalsContact C-N 3.29Å; I280-K282 PolarHBondContact O-N 2.86Å; K282-S285 PolarHBondContact O-N 3.3Å; K282-L286 HydrophobicContact CG-CD1 4.01Å; K282-L286 WeakPolarHBondContact O-CG 3.46Å; K282-L286 PolarHBondContact O-N 2Å |
| 283 | N | 89.3 | Confident | 89 | Confident | 51 Ų | 51 | 89 Ų | 89 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | -179.4 | -74 | -11.4 | 0 | 0 | 0 | 112.3 | P279 I280 S285 L286 R287 A288 I290 | P279-N283 WeakPolarHBondContact O-CB 3.24Å; P279-N283 VanDerWaalsContact O-CG 3.25Å; P279-N283 PolarHBondContact O-N 3.15Å; I280-N283 PolarHBondContact O-N 2.84Å; N283-S285 VanDerWaalsContact C-N 3.33Å; N283-S285 PolarHBondContact O-N 3.19Å; N283-L286 CarbonylContact O-C 3.56Å; N283-L286 PolarHBondContact O-N 3.31Å; N283-R287 PolarHBondContact O-N 2.97Å; N283-A288 HydrophobicContact CB-CB 4.18Å; N283-A288 PolarHBondContact O-N 2.78Å; N283-I290 HydrophobicContact CB-CG1 4.13Å |
| 284 | I | 85.5 | Confident | 88.7 | Confident | 92 Ų | 92 | 95.2 Ų | 95.2 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 174.7 | -68.7 | 172.4 | 0 | 0 | 0 | 110.4 | I280 I281 L286 R287 I290 | I280-I284 HydrophobicContact CG2-CD1 3.75Å; I280-I284 HydrophobicContact CG2-CG1 4.33Å; I280-I284 WeakPolarHBondContact O-CG1 3.15Å; I280-I284 PolarHBondContact O-N 3.15Å; I281-I284 PolarHBondContact O-N 2.9Å; I284-L286 VanDerWaalsContact C-N 3.27Å; I284-L286 PolarHBondContact O-N 3.38Å; I284-R287 PolarHBondContact O-N 3.39Å; I284-I290 HydrophobicContact CD1-CD1 4.28Å; I284-I290 HydrophobicContact CG1-CD1 3.71Å |
| 285 | S | 88.2 | Confident | 88.7 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.6 | -35.9 | -179.3 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | I281 K282 N283 R287 | I281-S285 WeakPolarHBondContact O-CB 3.36Å; I281-S285 PolarHBondContact O-N 2.92Å; I281-S285 PolarHBondContact O-OG 2.85Å; K282-S285 PolarHBondContact O-N 3.3Å; N283-S285 VanDerWaalsContact C-N 3.33Å; N283-S285 PolarHBondContact O-N 3.19Å; S285-R287 VanDerWaalsContact C-N 3.32Å |
| 286 | L | 90.8 | Very high | 88.6 | Confident | 119 Ų | 119 | 92.5 Ų | 92.5 | 62% | 0.623 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1 | 177.2 | -64.4 | 174.9 | 0 | 0 | 0 | 113.8 | K282 N283 I284 A288 | K282-L286 HydrophobicContact CG-CD1 4.01Å; K282-L286 WeakPolarHBondContact O-CG 3.46Å; K282-L286 PolarHBondContact O-N 2Å; N283-L286 CarbonylContact O-C 3.56Å; N283-L286 PolarHBondContact O-N 3.31Å; I284-L286 VanDerWaalsContact C-N 3.27Å; I284-L286 PolarHBondContact O-N 3.38Å; L286-A288 HydrophobicContact CB-CB 4.34Å; L286-A288 PolarHBondContact O-N 3.38Å; L286-A288 VanDerWaalsContact O-N 3.14Å |
| 287 | R | 84.8 | Confident | 88.5 | Confident | 239 Ų | 239 | 93.3 Ų | 93.3 | 90% | 0.902 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 30.5 | -169.9 | -55.9 | -178 | 178.7 | -179.6 | -0.3 | 112.9 | N283 I284 S285 | N283-R287 PolarHBondContact O-N 2.97Å; I284-R287 PolarHBondContact O-N 3.39Å; S285-R287 VanDerWaalsContact C-N 3.32Å |
| 288 | A | 86.3 | Confident | 88.4 | Confident | 45 Ų | 45 | 92.3 Ų | 92.3 | 37% | 0.372 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 160.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | N283 L286 | N283-A288 HydrophobicContact CB-CB 4.18Å; N283-A288 PolarHBondContact O-N 2.78Å; L286-A288 HydrophobicContact CB-CB 4.34Å; L286-A288 PolarHBondContact O-N 3.38Å; L286-A288 VanDerWaalsContact O-N 3.14Å |
| 289 | R | 84.6 | Confident | 88.3 | Confident | 212 Ų | 212 | 92.5 Ų | 92.5 | 80% | 0.8 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 137.1 | 174.4 | -168.5 | 177.7 | -178.3 | -179 | -0.2 | 109.7 | ||
| 290 | I | 84.4 | Confident | 88.3 | Confident | 28 Ų | 28 | 91.3 Ų | 91.3 | 14% | 0.144 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -98.3 | 119.6 | 170.6 | -59.5 | 168.8 | 0 | 0 | 0 | 107.1 | I280 N283 I284 F292 L319 L323 | I280-I290 HydrophobicContact CG2-CD1 4.39Å; N283-I290 HydrophobicContact CB-CG1 4.13Å; I284-I290 HydrophobicContact CD1-CD1 4.28Å; I284-I290 HydrophobicContact CG1-CD1 3.71Å; I290-F292 HydrophobicContact CG2-CE2 4.35Å; I290-F292 HydrophobicContact CG2-CZ 4.44Å; I290-L319 HydrophobicContact CG2-CD2 4.34Å; I290-L323 HydrophobicContact CD1-CD1 3.64Å; I290-L323 HydrophobicContact CD1-CD2 4.32Å; I290-L323 HydrophobicContact CG2-CD1 4.48Å |
| 291 | E | 85.5 | Confident | 88.3 | Confident | 150 Ų | 150 | 95.2 Ų | 95.2 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -89 | 131.8 | 175 | -66.1 | -172.4 | 172.5 | 0 | 0 | 110 | ||
| 292 | F | 85.5 | Confident | 88.3 | Confident | 72 Ų | 72 | 90.6 Ų | 90.6 | 32% | 0.316 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 117.3 | 178.3 | -71.9 | -87.6 | 0 | 0 | 0 | 109.3 | I290 L294 V297 W316 L319 A320 L323 | I290-F292 HydrophobicContact CG2-CE2 4.35Å; I290-F292 HydrophobicContact CG2-CZ 4.44Å; F292-L294 PolarHBondContact O-N 3.21Å; F292-V297 HydrophobicContact CB-CG2 4.1Å; F292-V297 HydrophobicContact CD1-CG2 3.94Å; F292-V297 HydrophobicContact CG-CG2 4.48Å; F292-W316 AromaticContact CD1-CE3 3.78Å; F292-W316 HydrophobicContact CD1-CE3 3.78Å; F292-W316 AromaticContact CD1-CZ3 3.96Å; F292-W316 HydrophobicContact CD1-CZ3 3.96Å; F292-W316 HydrophobicContact CE1-CE3 4.3Å; F292-W316 HydrophobicContact CE1-CZ3 4.44Å; F292-L319 HydrophobicContact CE1-CB 4.46Å; F292-L319 HydrophobicContact CE1-CD2 4.03Å; F292-L319 HydrophobicContact CE1-CG 4.04Å; F292-L319 HydrophobicContact CZ-CG 4.47Å; F292-A320 HydrophobicContact CD1-CB 4.1Å; F292-A320 VanDerWaalsContact CE1-CA 3.49Å; F292-A320 HydrophobicContact CE1-CB 3.63Å; F292-A320 HydrophobicContact CZ-CB 4.22Å; F292-L323 HydrophobicContact CE1-CD1 4.42Å; F292-L323 HydrophobicContact CE2-CD1 4.27Å; F292-L323 HydrophobicContact CZ-CB 4.44Å; F292-L323 HydrophobicContact CZ-CD1 3.55Å |
| 293 | P | 89.8 | Confident | 88.1 | Confident | 45 Ų | 45 | 85.5 Ų | 85.5 | 29% | 0.292 | 45% | 0.449 | S | S | . | . | trans | -66.7 | 104.8 | 172.4 | 23.1 | -26.9 | 0 | 0 | 0 | 108.8 | P295 N296 V297 W316 | P293-P295 VanDerWaalsContact C-N 3.29Å; P293-P295 VanDerWaalsContact O-N 3.16Å; P293-N296 HydrophobicContact CB-CB 4.43Å; P293-N296 HydrophobicContact CG-CB 4.03Å; P293-N296 WeakPolarHBondContact CG-ND2 3.33Å; P293-N296 WeakPolarHBondContact O-CB 3.48Å; P293-N296 PolarHBondContact O-N 3.03Å; P293-V297 PolarHBondContact O-N 3.15Å; P293-W316 HydrophobicContact CG-CD2 3.84Å; P293-W316 VanDerWaalsContact CG-CE2 3.48Å; P293-W316 HydrophobicContact CG-CE3 4.32Å; P293-W316 HydrophobicContact CG-CG 4.35Å; P293-W316 HydrophobicContact CG-CH2 4.15Å; P293-W316 HydrophobicContact CG-CZ2 3.66Å; P293-W316 HydrophobicContact CG-CZ3 4.45Å | ||
| 294 | L | 86.8 | Confident | 88.2 | Confident | 143 Ų | 143 | 87.6 Ų | 87.6 | 75% | 0.749 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -46.7 | -43.8 | -177.4 | -79.5 | 166.9 | 0 | 0 | 0 | 113.6 | F292 N296 V297 A298 | F292-L294 PolarHBondContact O-N 3.21Å; L294-N296 PolarHBondContact O-N 3.36Å; L294-N296 VanDerWaalsContact O-N 3.12Å; L294-V297 PolarHBondContact O-N 3.25Å; L294-V297 VanDerWaalsContact O-N 3.17Å; L294-A298 WeakPolarHBondContact O-CB 3.4Å; L294-A298 PolarHBondContact O-N 3.25Å |
| 295 | P | 90.5 | Very high | 88.6 | Confident | 92 Ų | 92 | 83.7 Ų | 83.7 | 60% | 0.597 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.7 | -22.4 | 177.7 | -24.7 | 35.5 | 0 | 0 | 0 | 114.6 | P293 K300 | P293-P295 VanDerWaalsContact C-N 3.29Å; P293-P295 VanDerWaalsContact O-N 3.16Å; P295-K300 WeakPolarHBondContact O-CE 3.35Å; P295-K300 PolarHBondContact O-NZ 2.82Å |
| 296 | N | 90.8 | Very high | 89 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 21% | 0.214 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -93.1 | -18.7 | -179.4 | -62.4 | -15.2 | 0 | 0 | 0 | 112.8 | P293 L294 T312 H313 W316 | P293-N296 HydrophobicContact CB-CB 4.43Å; P293-N296 HydrophobicContact CG-CB 4.03Å; P293-N296 WeakPolarHBondContact CG-ND2 3.33Å; P293-N296 WeakPolarHBondContact O-CB 3.48Å; P293-N296 PolarHBondContact O-N 3.03Å; L294-N296 PolarHBondContact O-N 3.36Å; L294-N296 VanDerWaalsContact O-N 3.12Å; N296-T312 HydrophobicContact CB-CG2 4.39Å; N296-H313 WeakPolarHBondContact O-CA 3.25Å; N296-H313 PolarHBondContact O-ND1 3.09Å; N296-W316 HydrophobicContact CB-CB 4.01Å; N296-W316 HydrophobicContact CB-CG 3.83Å; N296-W316 PolarHBondContact ND2-NE1 2.88Å |
| 297 | V | 89.6 | Confident | 89.3 | Confident | 40 Ų | 40 | 74.9 Ų | 74.9 | 24% | 0.242 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -103.6 | -22.7 | -179.6 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | F292 P293 L294 W316 A320 | F292-V297 HydrophobicContact CB-CG2 4.1Å; F292-V297 HydrophobicContact CD1-CG2 3.94Å; F292-V297 HydrophobicContact CG-CG2 4.48Å; P293-V297 PolarHBondContact O-N 3.15Å; L294-V297 PolarHBondContact O-N 3.25Å; L294-V297 VanDerWaalsContact O-N 3.17Å; V297-W316 HydrophobicContact CG2-CB 3.95Å; V297-A320 HydrophobicContact CG1-CB 3.89Å |
| 298 | A | 90.1 | Very high | 89.8 | Confident | 45 Ų | 45 | 66 Ų | 66 | 37% | 0.372 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -55.7 | 139.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L294 K300 H313 | L294-A298 WeakPolarHBondContact O-CB 3.4Å; L294-A298 PolarHBondContact O-N 3.25Å; A298-K300 PolarHBondContact O-N 3.25Å; A298-H313 PolarHBondContact O-CE1 3.17Å |
| 299 | P | 89.4 | Confident | 90.2 | Very high | 125 Ų | 125 | 67 Ų | 67 | 81% | 0.812 | 36% | 0.359 | S | S | * | . | trans | -53.5 | 131 | 178 | -26.5 | 34.4 | 0 | 0 | 0 | 111.9 | ||||
| 300 | K | 91.9 | Very high | 90.8 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | trans | -127.2 | 148.1 | 175.6 | -65.1 | -176.9 | -177.9 | -174.9 | 0 | 110.1 | Q14 P295 A298 L305 E309 H313 | Q14-K300 PolarHBondContact NE2-O 2.97Å; P295-K300 WeakPolarHBondContact O-CE 3.35Å; P295-K300 PolarHBondContact O-NZ 2.82Å; A298-K300 PolarHBondContact O-N 3.25Å; K300-L305 HydrophobicContact CB-CD1 3.95Å; K300-L305 HydrophobicContact CB-CD2 4.3Å; K300-L305 HydrophobicContact CD-CD1 4.05Å; K300-L305 HydrophobicContact CD-CD2 3.83Å; K300-E309 IonicContact NZ-OE1 3.91Å; K300-E309 PolarHBondContact NZ-OE1 3.39Å; K300-H313 HydrophobicContact CD-CB 4.41Å | ||
| 301 | I | 90 | Very high | 91.4 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 48% | 0.482 | 32% | 0.315 | S | S | . | . | trans | -78.5 | 118.4 | 170.9 | -61.6 | 175.3 | 0 | 0 | 0 | 107.1 | A303 C304 | I301-A303 HydrophobicContact CG2-CB 3.98Å; I301-A303 PolarHBondContact O-N 3.1Å; I301-C304 PolarHBondContact O-N 3.32Å; I301-C304 VanDerWaalsContact O-N 3.1Å | ||
| 302 | A | 90.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -60 | -38.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E17 P116 I256 C304 L305 Y310 | E17-A302 PolarHBondContact OE2-N 3.29Å; E17-A302 VanDerWaalsContact OE2-N 3.07Å; P116-A302 HydrophobicContact CG-CB 3.59Å; I256-A302 WeakPolarHBondContact CG2-O 3.32Å; A302-C304 PolarHBondContact O-N 2.98Å; A302-L305 PolarHBondContact O-N 3.06Å; A302-Y310 HydrophobicContact CB-CD2 4.14Å; A302-Y310 HydrophobicContact CB-CE2 3.88Å |
| 303 | A | 85.5 | Confident | 92.4 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -55.4 | -21.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | N255 L257 I301 | N255-A303 PolarHBondContact ND2-O 3.39Å; L257-A303 HydrophobicContact CD1-CB 3.59Å; L257-A303 HydrophobicContact CG-CB 4.3Å; I301-A303 HydrophobicContact CG2-CB 3.98Å; I301-A303 PolarHBondContact O-N 3.1Å |
| 304 | C | 91.1 | Very high | 92.7 | Very high | 94 Ų | 94 | 44.3 Ų | 44.3 | 64% | 0.635 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -93.9 | -2.3 | -179 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | I301 A302 | I301-C304 PolarHBondContact O-N 3.32Å; I301-C304 VanDerWaalsContact O-N 3.1Å; A302-C304 PolarHBondContact O-N 2.98Å |
| 305 | L | 94.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | trans | -100.4 | 135.6 | -171.5 | -56.2 | -177.2 | 0 | 0 | 0 | 112.2 | I256 K300 A302 E309 Y310 H313 | I256-L305 WeakPolarHBondContact CG2-O 3.26Å; I256-L305 PolarHBondContact N-O 3.01Å; I256-L305 VanDerWaalsContact N-O 3.07Å; K300-L305 HydrophobicContact CB-CD1 3.95Å; K300-L305 HydrophobicContact CB-CD2 4.3Å; K300-L305 HydrophobicContact CD-CD1 4.05Å; K300-L305 HydrophobicContact CD-CD2 3.83Å; A302-L305 PolarHBondContact O-N 3.06Å; L305-E309 HydrophobicContact CD2-CG 4.19Å; L305-Y310 HydrophobicContact CD1-CD2 4.24Å; L305-H313 HydrophobicContact CD1-CB 4.35Å | ||
| 306 | P | 96.6 | Very high | 93.3 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 158.4 | 159.1 | 31.2 | -34.3 | 0 | 0 | 0 | 110 | S254 F308 E309 Y310 | S254-P306 WeakPolarHBondContact O-CA 3.4Å; P306-F308 VanDerWaalsContact C-N 3.34Å; P306-F308 HydrophobicContact CB-CD1 3.92Å; P306-F308 HydrophobicContact CB-CE1 3.63Å; P306-F308 HydrophobicContact CB-CZ 4.48Å; P306-F308 HydrophobicContact CG-CD1 3.93Å; P306-F308 HydrophobicContact CG-CE1 3.32Å; P306-F308 HydrophobicContact CG-CZ 3.7Å; P306-F308 PolarHBondContact O-N 2.77Å; P306-E309 HydrophobicContact CG-CB 3.85Å; P306-E309 PolarHBondContact O-N 3.15Å; P306-E309 VanDerWaalsContact O-N 3.15Å; P306-Y310 PolarHBondContact O-N 3.23Å |
| 307 | V | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.1 | -47.3 | -175.7 | 169.5 | 0 | 0 | 0 | 0 | 113.2 | R252 S254 I256 H259 I262 E309 Y310 C311 | R252-V307 HydrophobicContact CB-CB 3.79Å; R252-V307 HydrophobicContact CB-CG1 4.13Å; R252-V307 HydrophobicContact CB-CG2 3.95Å; R252-V307 WeakPolarHBondContact O-CB 3.37Å; R252-V307 PolarHBondContact O-N 3Å; S254-V307 PolarHBondContact O-N 2.92Å; S254-V307 VanDerWaalsContact O-N 3.09Å; I256-V307 HydrophobicContact CD1-CB 4.5Å; I256-V307 HydrophobicContact CD1-CG2 4.01Å; H259-V307 WeakPolarHBondContact CD2-CG2 3.37Å; I262-V307 HydrophobicContact CB-CG1 4.42Å; I262-V307 HydrophobicContact CG1-CG1 3.86Å; I262-V307 HydrophobicContact CG2-CG1 3.65Å; V307-E309 VanDerWaalsContact C-N 3.33Å; V307-E309 PolarHBondContact O-N 3.13Å; V307-Y310 WeakPolarHBondContact O-CB 3.16Å; V307-Y310 PolarHBondContact O-N 2.63Å; V307-C311 PolarHBondContact O-N 2.92Å; V307-C311 PolarHBondContact O-SG 2.91Å |
| 308 | F | 95.4 | Very high | 93.5 | Very high | 53 Ų | 53 | 33 Ų | 33 | 23% | 0.232 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.8 | -38.6 | -177.6 | 74.4 | -90.1 | 0 | 0 | 0 | 113.2 | S250 R252 R253 E270 P306 T312 | S250-F308 WeakPolarHBondContact O-CA 3.27Å; S250-F308 WeakPolarHBondContact O-CB 3.44Å; R252-F308 WeakPolarHBondContact O-CD1 3.37Å; R252-F308 PolarHBondContact O-N 3.25Å; R253-F308 HydrophobicContact CG-CD1 4.36Å; R253-F308 HydrophobicContact CG-CE1 4.31Å; E270-F308 HydrophobicContact CB-CB 4.01Å; E270-F308 HydrophobicContact CB-CD2 4.15Å; E270-F308 HydrophobicContact CB-CG 4.2Å; P306-F308 VanDerWaalsContact C-N 3.34Å; P306-F308 HydrophobicContact CB-CD1 3.92Å; P306-F308 HydrophobicContact CB-CE1 3.63Å; P306-F308 HydrophobicContact CB-CZ 4.48Å; P306-F308 HydrophobicContact CG-CD1 3.93Å; P306-F308 HydrophobicContact CG-CE1 3.32Å; P306-F308 HydrophobicContact CG-CZ 3.7Å; P306-F308 PolarHBondContact O-N 2.77Å; F308-T312 WeakPolarHBondContact O-CB 3.33Å; F308-T312 PolarHBondContact O-N 3.14Å; F308-T312 PolarHBondContact O-OG1 3.09Å |
| 309 | E | 95.9 | Very high | 93.6 | Very high | 64 Ų | 64 | 32 Ų | 32 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -74 | -37.9 | 179.5 | -167.9 | 177.6 | 169.2 | 0 | 0 | 110.7 | K300 L305 P306 V307 T312 H313 | K300-E309 IonicContact NZ-OE1 3.91Å; K300-E309 PolarHBondContact NZ-OE1 3.39Å; L305-E309 HydrophobicContact CD2-CG 4.19Å; P306-E309 HydrophobicContact CG-CB 3.85Å; P306-E309 PolarHBondContact O-N 3.15Å; P306-E309 VanDerWaalsContact O-N 3.15Å; V307-E309 VanDerWaalsContact C-N 3.33Å; V307-E309 PolarHBondContact O-N 3.13Å; E309-T312 PolarHBondContact O-N 2.88Å; E309-H313 VanDerWaalsContact O-CB 3.28Å; E309-H313 WeakPolarHBondContact O-CB 3.21Å; E309-H313 PolarHBondContact O-N 3.49Å |
| 310 | Y | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.4 | -50.2 | 171.6 | 177.8 | -96.9 | 0 | 0 | 0 | 111.6 | L10 I11 F113 L114 I256 A302 L305 P306 V307 T312 H313 V314 | L10-Y310 HydrophobicContact CD2-CE2 4.12Å; I11-Y310 WeakPolarHBondContact CG2-OH 3.08Å; F113-Y310 HydrophobicContact CB-CE1 4.37Å; L114-Y310 WeakPolarHBondContact O-CE1 3.43Å; L114-Y310 PolarHBondContact O-OH 3Å; I256-Y310 HydrophobicContact CB-CD2 4.49Å; I256-Y310 HydrophobicContact CB-CG 4.21Å; I256-Y310 HydrophobicContact CD1-CD1 3.36Å; I256-Y310 HydrophobicContact CD1-CE1 3.92Å; I256-Y310 HydrophobicContact CD1-CG 3.72Å; I256-Y310 HydrophobicContact CG1-CD1 3.6Å; I256-Y310 HydrophobicContact CG1-CD2 3.86Å; I256-Y310 HydrophobicContact CG1-CE1 4.03Å; I256-Y310 HydrophobicContact CG1-CE2 4.29Å; I256-Y310 HydrophobicContact CG1-CG 3.51Å; I256-Y310 HydrophobicContact CG2-CD2 4.37Å; A302-Y310 HydrophobicContact CB-CD2 4.14Å; A302-Y310 HydrophobicContact CB-CE2 3.88Å; L305-Y310 HydrophobicContact CD1-CD2 4.24Å; P306-Y310 PolarHBondContact O-N 3.23Å; V307-Y310 WeakPolarHBondContact O-CB 3.16Å; V307-Y310 PolarHBondContact O-N 2.63Å; Y310-T312 VanDerWaalsContact C-N 3.31Å; Y310-T312 PolarHBondContact O-N 3.31Å; Y310-H313 PolarHBondContact O-N 3.38Å; Y310-V314 HydrophobicContact CD1-CG2 4.01Å; Y310-V314 HydrophobicContact CD2-CG2 4.22Å; Y310-V314 HydrophobicContact CE1-CG2 3.58Å; Y310-V314 HydrophobicContact CE2-CG2 3.79Å; Y310-V314 HydrophobicContact CG-CG2 4.32Å; Y310-V314 VanDerWaalsContact CZ-CG2 3.43Å; Y310-V314 VanDerWaalsContact O-CG2 3.31Å; Y310-V314 WeakPolarHBondContact O-CG2 3.47Å; Y310-V314 PolarHBondContact O-N 2.98Å |
| 311 | C | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | 178.4 | -65 | 0 | 0 | 0 | 0 | 111.4 | F113 F271 V307 H313 V314 A315 | F113-C311 HydrophobicContact CD2-CB 4.08Å; F113-C311 HydrophobicContact CE1-CB 4.47Å; F113-C311 HydrophobicContact CE2-CB 3.71Å; F113-C311 HydrophobicContact CZ-CB 3.94Å; F271-C311 HydrophobicContact CB-CB 4.02Å; F271-C311 HydrophobicContact CD1-CB 3.76Å; F271-C311 HydrophobicContact CD2-CB 4.09Å; F271-C311 HydrophobicContact CE1-CB 4.28Å; F271-C311 HydrophobicContact CG-CB 3.65Å; V307-C311 PolarHBondContact O-N 2.92Å; V307-C311 PolarHBondContact O-SG 2.91Å; C311-H313 PolarHBondContact O-N 2.78Å; C311-V314 PolarHBondContact O-N 2.85Å; C311-A315 VanDerWaalsContact O-CB 3.26Å; C311-A315 WeakPolarHBondContact O-CB 3.37Å; C311-A315 PolarHBondContact O-N 3.16Å |
| 312 | T | 95.4 | Very high | 93 | Very high | 25 Ų | 25 | 24.5 Ų | 24.5 | 15% | 0.153 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | F271 N296 F308 E309 Y310 A315 W316 | F271-T312 WeakPolarHBondContact CD2-OG1 3.44Å; N296-T312 HydrophobicContact CB-CG2 4.39Å; F308-T312 WeakPolarHBondContact O-CB 3.33Å; F308-T312 PolarHBondContact O-N 3.14Å; F308-T312 PolarHBondContact O-OG1 3.09Å; E309-T312 PolarHBondContact O-N 2.88Å; Y310-T312 VanDerWaalsContact C-N 3.31Å; Y310-T312 PolarHBondContact O-N 3.31Å; T312-A315 PolarHBondContact O-N 3.45Å; T312-W316 VanDerWaalsContact O-CD1 3.3Å; T312-W316 PolarHBondContact O-N 3.49Å; T312-W316 VanDerWaalsContact O-N 3.09Å |
| 313 | H | 95.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -47.5 | -179.7 | 176.8 | 54.8 | 0 | 0 | 0 | 112.1 | N296 A298 K300 L305 E309 Y310 C311 A315 S317 | N296-H313 WeakPolarHBondContact O-CA 3.25Å; N296-H313 PolarHBondContact O-ND1 3.09Å; A298-H313 PolarHBondContact O-CE1 3.17Å; K300-H313 HydrophobicContact CD-CB 4.41Å; L305-H313 HydrophobicContact CD1-CB 4.35Å; E309-H313 VanDerWaalsContact O-CB 3.28Å; E309-H313 WeakPolarHBondContact O-CB 3.21Å; E309-H313 PolarHBondContact O-N 3.49Å; Y310-H313 PolarHBondContact O-N 3.38Å; C311-H313 PolarHBondContact O-N 2.78Å; H313-A315 PolarHBondContact O-N 3.2Å; H313-S317 PolarHBondContact CE1-OG 3.29Å; H313-S317 VanDerWaalsContact CE1-OG 3.23Å; H313-S317 PolarHBondContact ND1-OG 3.39Å; H313-S317 WeakPolarHBondContact O-CB 3.1Å; H313-S317 PolarHBondContact O-N 2.04Å; H313-S317 PolarHBondContact O-OG 3.11Å |
| 314 | V | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 177.5 | 174 | 0 | 0 | 0 | 0 | 111 | A6 S7 L10 F113 Y310 C311 W316 S317 G318 | A6-V314 HydrophobicContact CB-CG1 3.8Å; S7-V314 VanDerWaalsContact N-CG1 3.32Å; L10-V314 HydrophobicContact CD2-CG2 3.53Å; F113-V314 HydrophobicContact CD1-CB 3.86Å; F113-V314 HydrophobicContact CD1-CG1 3.63Å; F113-V314 HydrophobicContact CD1-CG2 4.44Å; F113-V314 HydrophobicContact CE1-CB 3.84Å; F113-V314 HydrophobicContact CE1-CG1 3.74Å; Y310-V314 HydrophobicContact CD1-CG2 4.01Å; Y310-V314 HydrophobicContact CD2-CG2 4.22Å; Y310-V314 HydrophobicContact CE1-CG2 3.58Å; Y310-V314 HydrophobicContact CE2-CG2 3.79Å; Y310-V314 HydrophobicContact CG-CG2 4.32Å; Y310-V314 VanDerWaalsContact CZ-CG2 3.43Å; Y310-V314 VanDerWaalsContact O-CG2 3.31Å; Y310-V314 WeakPolarHBondContact O-CG2 3.47Å; Y310-V314 PolarHBondContact O-N 2.98Å; C311-V314 PolarHBondContact O-N 2.85Å; V314-W316 PolarHBondContact O-N 3.37Å; V314-S317 PolarHBondContact O-N 2.74Å; V314-G318 PolarHBondContact O-N 3.04Å |
| 315 | A | 95.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F3 F113 F271 F276 C311 T312 H313 L319 | F3-A315 HydrophobicContact CD1-CB 4.29Å; F3-A315 HydrophobicContact CE1-CB 4.02Å; F113-A315 HydrophobicContact CE1-CB 4.35Å; F113-A315 HydrophobicContact CZ-CB 4.29Å; F271-A315 HydrophobicContact CE2-CB 3.62Å; F271-A315 HydrophobicContact CZ-CB 3.61Å; F276-A315 HydrophobicContact CD1-CB 4.28Å; F276-A315 HydrophobicContact CD2-CB 4.26Å; F276-A315 HydrophobicContact CE1-CB 3.86Å; F276-A315 HydrophobicContact CE2-CB 3.81Å; F276-A315 HydrophobicContact CG-CB 4.49Å; F276-A315 HydrophobicContact CZ-CB 3.6Å; F276-A315 WeakPolarHBondContact CZ-O 3.42Å; C311-A315 VanDerWaalsContact O-CB 3.26Å; C311-A315 WeakPolarHBondContact O-CB 3.37Å; C311-A315 PolarHBondContact O-N 3.16Å; T312-A315 PolarHBondContact O-N 3.45Å; H313-A315 PolarHBondContact O-N 3.2Å; A315-L319 WeakPolarHBondContact O-CB 3.49Å; A315-L319 PolarHBondContact O-N 3.22Å |
| 316 | W | 94.7 | Very high | 90.6 | Very high | 41 Ų | 41 | 32.8 Ų | 32.8 | 16% | 0.155 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.3 | -42.3 | 176.9 | -84.4 | 111.2 | 0 | 0 | 0 | 113 | F276 F292 P293 N296 V297 T312 V314 L319 A320 | F276-W316 AromaticContact CE2-CD1 3.86Å; F276-W316 AromaticContact CE2-CD2 3.76Å; F276-W316 HydrophobicContact CE2-CD2 3.76Å; F276-W316 AromaticContact CE2-CE2 3.67Å; F276-W316 HydrophobicContact CE2-CE3 4.35Å; F276-W316 AromaticContact CE2-CG 3.91Å; F276-W316 HydrophobicContact CE2-CG 3.91Å; F276-W316 HydrophobicContact CE2-CZ2 4.21Å; F276-W316 AromaticContact CE2-NE1 3.72Å; F292-W316 AromaticContact CD1-CE3 3.78Å; F292-W316 HydrophobicContact CD1-CE3 3.78Å; F292-W316 AromaticContact CD1-CZ3 3.96Å; F292-W316 HydrophobicContact CD1-CZ3 3.96Å; F292-W316 HydrophobicContact CE1-CE3 4.3Å; F292-W316 HydrophobicContact CE1-CZ3 4.44Å; P293-W316 HydrophobicContact CG-CD2 3.84Å; P293-W316 VanDerWaalsContact CG-CE2 3.48Å; P293-W316 HydrophobicContact CG-CE3 4.32Å; P293-W316 HydrophobicContact CG-CG 4.35Å; P293-W316 HydrophobicContact CG-CH2 4.15Å; P293-W316 HydrophobicContact CG-CZ2 3.66Å; P293-W316 HydrophobicContact CG-CZ3 4.45Å; N296-W316 HydrophobicContact CB-CB 4.01Å; N296-W316 HydrophobicContact CB-CG 3.83Å; N296-W316 PolarHBondContact ND2-NE1 2.88Å; V297-W316 HydrophobicContact CG2-CB 3.95Å; T312-W316 VanDerWaalsContact O-CD1 3.3Å; T312-W316 PolarHBondContact O-N 3.49Å; T312-W316 VanDerWaalsContact O-N 3.09Å; V314-W316 PolarHBondContact O-N 3.37Å; W316-L319 HydrophobicContact CE3-CD2 3.82Å; W316-L319 HydrophobicContact CZ3-CD2 3.66Å; W316-L319 PolarHBondContact O-N 2.95Å; W316-A320 WeakPolarHBondContact O-CB 3.44Å; W316-A320 PolarHBondContact O-N 2.81Å |
| 317 | S | 92.4 | Very high | 89.5 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | H313 V314 A320 F321 | H313-S317 PolarHBondContact CE1-OG 3.29Å; H313-S317 VanDerWaalsContact CE1-OG 3.23Å; H313-S317 PolarHBondContact ND1-OG 3.39Å; H313-S317 WeakPolarHBondContact O-CB 3.1Å; H313-S317 PolarHBondContact O-N 2.04Å; H313-S317 PolarHBondContact O-OG 3.11Å; V314-S317 PolarHBondContact O-N 2.74Å; S317-A320 PolarHBondContact O-N 3.07Å; S317-F321 WeakPolarHBondContact O-CB 3.38Å; S317-F321 PolarHBondContact O-N 3.02Å |
| 318 | G | 92.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -49.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 V314 A320 F321 A322 | M1-G318 WeakPolarHBondContact CE-O 3.4Å; M1-G318 VanDerWaalsContact SD-CA 3.56Å; V314-G318 PolarHBondContact O-N 3.04Å; G318-A320 VanDerWaalsContact C-N 3.31Å; G318-A320 PolarHBondContact O-N 2.69Å; G318-F321 PolarHBondContact O-N 3.12Å; G318-A322 PolarHBondContact O-N 3.08Å |
| 319 | L | 92 | Very high | 86.8 | Confident | 23 Ų | 23 | 39 Ų | 39 | 12% | 0.12 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57 | -44.6 | 176.8 | 179.7 | 67.4 | 0 | 0 | 0 | 112.2 | F276 I280 I290 F292 A315 W316 A322 L323 | F276-L319 HydrophobicContact CZ-CB 4.4Å; F276-L319 HydrophobicContact CZ-CD2 4.39Å; I280-L319 HydrophobicContact CD1-CD1 4.44Å; I280-L319 HydrophobicContact CD1-CD2 3.45Å; I280-L319 VanDerWaalsContact CD1-CD2 3.45Å; I280-L319 HydrophobicContact CD1-CG 4.49Å; I280-L319 HydrophobicContact CG1-CD2 4.01Å; I280-L319 HydrophobicContact CG2-CD1 3.97Å; I280-L319 HydrophobicContact CG2-CD2 4.33Å; I290-L319 HydrophobicContact CG2-CD2 4.34Å; F292-L319 HydrophobicContact CE1-CB 4.46Å; F292-L319 HydrophobicContact CE1-CD2 4.03Å; F292-L319 HydrophobicContact CE1-CG 4.04Å; F292-L319 HydrophobicContact CZ-CG 4.47Å; A315-L319 WeakPolarHBondContact O-CB 3.49Å; A315-L319 PolarHBondContact O-N 3.22Å; W316-L319 HydrophobicContact CE3-CD2 3.82Å; W316-L319 HydrophobicContact CZ3-CD2 3.66Å; W316-L319 PolarHBondContact O-N 2.95Å; L319-A322 WeakPolarHBondContact O-CB 3.47Å; L319-A322 PolarHBondContact O-N 3.47Å; L319-L323 HydrophobicContact CD1-CD1 3.83Å; L319-L323 HydrophobicContact CD1-CG 4.31Å; L319-L323 HydrophobicContact CG-CD1 3.9Å; L319-L323 WeakPolarHBondContact O-CG 3.15Å; L319-L323 PolarHBondContact O-N 3.19Å |
| 320 | A | 89.6 | Confident | 85.2 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F292 V297 W316 S317 G318 A322 L323 Q324 | F292-A320 HydrophobicContact CD1-CB 4.1Å; F292-A320 VanDerWaalsContact CE1-CA 3.49Å; F292-A320 HydrophobicContact CE1-CB 3.63Å; F292-A320 HydrophobicContact CZ-CB 4.22Å; V297-A320 HydrophobicContact CG1-CB 3.89Å; W316-A320 WeakPolarHBondContact O-CB 3.44Å; W316-A320 PolarHBondContact O-N 2.81Å; S317-A320 PolarHBondContact O-N 3.07Å; G318-A320 VanDerWaalsContact C-N 3.31Å; G318-A320 PolarHBondContact O-N 2.69Å; A320-A322 VanDerWaalsContact C-N 3.33Å; A320-A322 PolarHBondContact O-N 3.2Å; A320-L323 PolarHBondContact O-N 2.74Å; A320-Q324 WeakPolarHBondContact O-CB 3.25Å; A320-Q324 PolarHBondContact O-N 2.95Å |
| 321 | F | 85.1 | Confident | 83.5 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 26% | 0.263 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 175.6 | -178.4 | -104.9 | 0 | 0 | 0 | 112.2 | M1 Y5 S317 G318 L323 K325 | M1-F321 HydrophobicContact CE-CD1 3.84Å; Y5-F321 HydrophobicContact CE1-CE1 4.47Å; S317-F321 WeakPolarHBondContact O-CB 3.38Å; S317-F321 PolarHBondContact O-N 3.02Å; G318-F321 PolarHBondContact O-N 3.12Å; F321-L323 PolarHBondContact O-N 2.82Å; F321-K325 HydrophobicContact CE1-CD 4.41Å; F321-K325 HydrophobicContact CZ-CD 4.24Å; F321-K325 VanDerWaalsContact CZ-CE 3.46Å; F321-K325 PolarHBondContact O-N 3.27Å; F321-K325 VanDerWaalsContact O-N 3.13Å |
| 322 | A | 84.6 | Confident | 81.3 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 G318 L319 A320 K325 I326 | M1-A322 HydrophobicContact CB-CB 4.47Å; M1-A322 VanDerWaalsContact CE-CA 3.47Å; M1-A322 HydrophobicContact CE-CB 3.24Å; M1-A322 HydrophobicContact SD-CB 4.03Å; G318-A322 PolarHBondContact O-N 3.08Å; L319-A322 WeakPolarHBondContact O-CB 3.47Å; L319-A322 PolarHBondContact O-N 3.47Å; A320-A322 VanDerWaalsContact C-N 3.33Å; A320-A322 PolarHBondContact O-N 3.2Å; A322-K325 PolarHBondContact O-N 3.46Å; A322-I326 WeakPolarHBondContact O-CG1 3.42Å; A322-I326 PolarHBondContact O-N 2.79Å |
| 323 | L | 83.2 | Confident | 79.3 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.8 | -36.5 | -174.7 | -73 | 168.9 | 0 | 0 | 0 | 111.7 | I290 F292 L319 A320 F321 K325 I326 A327 | I290-L323 HydrophobicContact CD1-CD1 3.64Å; I290-L323 HydrophobicContact CD1-CD2 4.32Å; I290-L323 HydrophobicContact CG2-CD1 4.48Å; F292-L323 HydrophobicContact CE1-CD1 4.42Å; F292-L323 HydrophobicContact CE2-CD1 4.27Å; F292-L323 HydrophobicContact CZ-CB 4.44Å; F292-L323 HydrophobicContact CZ-CD1 3.55Å; L319-L323 HydrophobicContact CD1-CD1 3.83Å; L319-L323 HydrophobicContact CD1-CG 4.31Å; L319-L323 HydrophobicContact CG-CD1 3.9Å; L319-L323 WeakPolarHBondContact O-CG 3.15Å; L319-L323 PolarHBondContact O-N 3.19Å; A320-L323 PolarHBondContact O-N 2.74Å; F321-L323 PolarHBondContact O-N 2.82Å; L323-K325 VanDerWaalsContact C-N 3.32Å; L323-K325 PolarHBondContact O-N 3.48Å; L323-I326 HydrophobicContact CD2-CD1 4.32Å; L323-I326 PolarHBondContact O-N 2.87Å; L323-A327 WeakPolarHBondContact O-CB 3.24Å; L323-A327 PolarHBondContact O-N 2.85Å |
| 324 | Q | 80.3 | Confident | 77.2 | Confident | 114 Ų | 114 | 58.3 Ų | 58.3 | 53% | 0.533 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 172.5 | -172.8 | -178.6 | 16.5 | 0 | 0 | 111.2 | A320 A327 Q328 | A320-Q324 WeakPolarHBondContact O-CB 3.25Å; A320-Q324 PolarHBondContact O-N 2.95Å; Q324-A327 PolarHBondContact O-N 3.29Å; Q324-Q328 WeakPolarHBondContact O-CG 3.46Å; Q324-Q328 PolarHBondContact O-N 2.98Å |
| 325 | K | 73.3 | Confident | 74.9 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 27% | 0.274 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 176.6 | -77.8 | -142.3 | 175.2 | 177.8 | 0 | 113.1 | F321 A322 L323 A327 Q328 N329 | F321-K325 HydrophobicContact CE1-CD 4.41Å; F321-K325 HydrophobicContact CZ-CD 4.24Å; F321-K325 VanDerWaalsContact CZ-CE 3.46Å; F321-K325 PolarHBondContact O-N 3.27Å; F321-K325 VanDerWaalsContact O-N 3.13Å; A322-K325 PolarHBondContact O-N 3.46Å; L323-K325 VanDerWaalsContact C-N 3.32Å; L323-K325 PolarHBondContact O-N 3.48Å; K325-A327 VanDerWaalsContact C-N 3.35Å; K325-Q328 PolarHBondContact O-N 3.36Å; K325-N329 WeakPolarHBondContact O-CB 3.45Å; K325-N329 PolarHBondContact O-N 3Å; K325-N329 PolarHBondContact O-ND2 3.19Å |
| 326 | I | 73.5 | Confident | 72.5 | Confident | 90 Ų | 90 | 69 Ų | 69 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.4 | -69.4 | 165.2 | 0 | 0 | 0 | 110.3 | A322 L323 N329 H330 | A322-I326 WeakPolarHBondContact O-CG1 3.42Å; A322-I326 PolarHBondContact O-N 2.79Å; L323-I326 HydrophobicContact CD2-CD1 4.32Å; L323-I326 PolarHBondContact O-N 2.87Å; I326-N329 PolarHBondContact O-N 2.8Å; I326-H330 PolarHBondContact O-CD2 3.17Å; I326-H330 PolarHBondContact O-N 2.87Å |
| 327 | A | 74.2 | Confident | 70.4 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L323 Q324 K325 N329 H330 E331 | L323-A327 WeakPolarHBondContact O-CB 3.24Å; L323-A327 PolarHBondContact O-N 2.85Å; Q324-A327 PolarHBondContact O-N 3.29Å; K325-A327 VanDerWaalsContact C-N 3.35Å; A327-N329 PolarHBondContact O-N 2.93Å; A327-H330 PolarHBondContact O-N 2.88Å; A327-E331 PolarHBondContact O-N 3.35Å |
| 328 | Q | 70.4 | Confident | 68.1 | Low | 89 Ų | 89 | 72.9 Ų | 72.9 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 177 | -74.1 | 173.2 | -10.7 | 0 | 0 | 112.5 | Q324 K325 H330 E331 L332 | Q324-Q328 WeakPolarHBondContact O-CG 3.46Å; Q324-Q328 PolarHBondContact O-N 2.98Å; K325-Q328 PolarHBondContact O-N 3.36Å; Q328-H330 VanDerWaalsContact C-N 3.34Å; Q328-H330 PolarHBondContact O-N 3.1Å; Q328-E331 PolarHBondContact O-N 3.21Å; Q328-L332 WeakPolarHBondContact O-CB 3.01Å; Q328-L332 PolarHBondContact O-N 3.36Å |
| 329 | N | 64.7 | Low | 66.1 | Low | 70 Ų | 70 | 82.1 Ų | 82.1 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 176.7 | -73.7 | -21 | 0 | 0 | 0 | 112.1 | K325 I326 A327 N333 | K325-N329 WeakPolarHBondContact O-CB 3.45Å; K325-N329 PolarHBondContact O-N 3Å; K325-N329 PolarHBondContact O-ND2 3.19Å; I326-N329 PolarHBondContact O-N 2.8Å; A327-N329 PolarHBondContact O-N 2.93Å; N329-N333 WeakPolarHBondContact O-CB 3.38Å; N329-N333 VanDerWaalsContact O-CG 3.31Å; N329-N333 PolarHBondContact O-N 3.21Å; N329-N333 PolarHBondContact O-ND2 3.01Å |
| 330 | H | 62.1 | Low | 63.9 | Low | 137 Ų | 137 | 84.5 Ų | 84.5 | 63% | 0.634 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.5 | -42.2 | 174 | -95.9 | -73.4 | 0 | 0 | 0 | 112.4 | I326 A327 Q328 N333 G334 | I326-H330 PolarHBondContact O-CD2 3.17Å; I326-H330 PolarHBondContact O-N 2.87Å; A327-H330 PolarHBondContact O-N 2.88Å; Q328-H330 VanDerWaalsContact C-N 3.34Å; Q328-H330 PolarHBondContact O-N 3.1Å; H330-N333 PolarHBondContact O-N 3.23Å; H330-G334 PolarHBondContact O-N 3.07Å |
| 331 | E | 61 | Low | 61.9 | Low | 128 Ų | 128 | 89.8 Ų | 89.8 | 60% | 0.598 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.9 | -44.9 | 174.8 | -74.9 | -177.7 | 169.7 | 0 | 0 | 111.7 | A327 Q328 N333 G334 M335 | A327-E331 PolarHBondContact O-N 3.35Å; Q328-E331 PolarHBondContact O-N 3.21Å; E331-N333 PolarHBondContact O-N 2.89Å; E331-G334 PolarHBondContact O-N 2.85Å; E331-M335 WeakPolarHBondContact O-CG 3.41Å; E331-M335 PolarHBondContact O-N 3.4Å |
| 332 | L | 50.3 | Low | 60.1 | Low | 101 Ų | 101 | 96.6 Ų | 96.6 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 175.5 | -94.6 | 149.4 | 0 | 0 | 0 | 112.2 | Q328 M335 L336 | Q328-L332 WeakPolarHBondContact O-CB 3.01Å; Q328-L332 PolarHBondContact O-N 3.36Å; L332-M335 PolarHBondContact O-N 3.18Å; L332-L336 PolarHBondContact O-N 2.85Å |
| 333 | N | 52.8 | Low | 58.2 | Low | 96 Ų | 96 | 100 Ų | 100 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 176.3 | -75.5 | -24 | 0 | 0 | 0 | 112 | N329 H330 E331 L336 I337 | N329-N333 WeakPolarHBondContact O-CB 3.38Å; N329-N333 VanDerWaalsContact O-CG 3.31Å; N329-N333 PolarHBondContact O-N 3.21Å; N329-N333 PolarHBondContact O-ND2 3.01Å; H330-N333 PolarHBondContact O-N 3.23Å; E331-N333 PolarHBondContact O-N 2.89Å; N333-L336 PolarHBondContact O-N 3.19Å; N333-I337 VanDerWaalsContact O-CG1 3.26Å; N333-I337 WeakPolarHBondContact O-CG1 3.32Å; N333-I337 PolarHBondContact O-N 2.9Å |
| 334 | G | 52.4 | Low | 56.1 | Low | 39 Ų | 39 | 104.3 Ų | 104.3 | 40% | 0.402 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H330 E331 I337 A338 | H330-G334 PolarHBondContact O-N 3.07Å; E331-G334 PolarHBondContact O-N 2.85Å; G334-I337 PolarHBondContact O-N 3.16Å; G334-A338 WeakPolarHBondContact O-CB 3.2Å; G334-A338 PolarHBondContact O-N 2.67Å |
| 335 | M | 48.7 | Very low | 53.7 | Low | 128 Ų | 128 | 108.5 Ų | 108.5 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.1 | -37.6 | 174.9 | -73.2 | -169.2 | -166.9 | 0 | 0 | 112.6 | E331 L332 A338 R339 | E331-M335 WeakPolarHBondContact O-CG 3.41Å; E331-M335 PolarHBondContact O-N 3.4Å; L332-M335 PolarHBondContact O-N 3.18Å; M335-A338 PolarHBondContact O-N 3.28Å; M335-R339 WeakPolarHBondContact O-CB 3.36Å; M335-R339 PolarHBondContact O-N 3.14Å |
| 336 | L | 45.2 | Very low | 51.8 | Low | 102 Ų | 102 | 110 Ų | 110 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -46.5 | 174.3 | -112.1 | 107.9 | 0 | 0 | 0 | 111.1 | L332 N333 A338 R339 T340 | L332-L336 PolarHBondContact O-N 2.85Å; N333-L336 PolarHBondContact O-N 3.19Å; L336-A338 VanDerWaalsContact C-N 3.32Å; L336-A338 PolarHBondContact O-N 3.01Å; L336-R339 PolarHBondContact O-N 3.1Å; L336-T340 PolarHBondContact O-N 3.4Å; L336-T340 PolarHBondContact O-OG1 3.05Å |
| 337 | I | 49.3 | Very low | 50 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.8 | -43.8 | 176.4 | -66.8 | 165.3 | 0 | 0 | 0 | 110.1 | N333 G334 R339 T340 Q341 | N333-I337 VanDerWaalsContact O-CG1 3.26Å; N333-I337 WeakPolarHBondContact O-CG1 3.32Å; N333-I337 PolarHBondContact O-N 2.9Å; G334-I337 PolarHBondContact O-N 3.16Å; I337-R339 PolarHBondContact O-N 2.91Å; I337-T340 PolarHBondContact O-N 3.07Å; I337-Q341 WeakPolarHBondContact O-CB 3.33Å; I337-Q341 WeakPolarHBondContact O-CG 3.41Å; I337-Q341 PolarHBondContact O-N 3.14Å |
| 338 | A | 44.3 | Very low | 47.9 | Very low | 48 Ų | 48 | 117.9 Ų | 117.9 | 40% | 0.397 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.6 | -37.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G334 M335 L336 R342 | G334-A338 WeakPolarHBondContact O-CB 3.2Å; G334-A338 PolarHBondContact O-N 2.67Å; M335-A338 PolarHBondContact O-N 3.28Å; L336-A338 VanDerWaalsContact C-N 3.32Å; L336-A338 PolarHBondContact O-N 3.01Å; A338-R342 WeakPolarHBondContact O-CB 3.45Å; A338-R342 WeakPolarHBondContact O-CG 3.45Å; A338-R342 PolarHBondContact O-N 2.93Å |
| 339 | R | 51.1 | Low | 46 | Very low | 201 Ų | 201 | 121.3 Ų | 121.3 | 76% | 0.758 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.8 | -40.9 | 173.1 | -88.4 | -176 | 171.9 | -179.6 | -1.5 | 112.2 | M335 L336 I337 Q341 R342 S343 | M335-R339 WeakPolarHBondContact O-CB 3.36Å; M335-R339 PolarHBondContact O-N 3.14Å; L336-R339 PolarHBondContact O-N 3.1Å; I337-R339 PolarHBondContact O-N 2.91Å; R339-Q341 VanDerWaalsContact C-N 3.34Å; R339-R342 PolarHBondContact O-N 3.19Å; R339-S343 PolarHBondContact O-N 3.01Å; R339-S343 PolarHBondContact O-OG 2.95Å |
| 340 | T | 46.8 | Very low | 44.2 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68 | -36.5 | 178.7 | -31.6 | 0 | 0 | 0 | 0 | 111.1 | L336 I337 S343 L344 | L336-T340 PolarHBondContact O-N 3.4Å; L336-T340 PolarHBondContact O-OG1 3.05Å; I337-T340 PolarHBondContact O-N 3.07Å; T340-S343 WeakPolarHBondContact CA-OG 3.31Å; T340-S343 PolarHBondContact O-N 3.48Å; T340-S343 PolarHBondContact O-OG 3.4Å; T340-L344 HydrophobicContact CG2-CD1 4.49Å; T340-L344 WeakPolarHBondContact O-CB 3.32Å; T340-L344 WeakPolarHBondContact O-CD1 3.49Å; T340-L344 VanDerWaalsContact O-CG 3.27Å; T340-L344 WeakPolarHBondContact O-CG 3.4Å; T340-L344 PolarHBondContact O-N 3.22Å; T340-L344 VanDerWaalsContact O-N 3.09Å |
| 341 | Q | 46.6 | Very low | 42.9 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.5 | -32 | 172.2 | -74.9 | -176.9 | -18.9 | 0 | 0 | 112.9 | I337 R339 L344 R345 | I337-Q341 WeakPolarHBondContact O-CB 3.33Å; I337-Q341 WeakPolarHBondContact O-CG 3.41Å; I337-Q341 PolarHBondContact O-N 3.14Å; R339-Q341 VanDerWaalsContact C-N 3.34Å; Q341-L344 PolarHBondContact O-N 3.09Å; Q341-R345 PolarHBondContact O-N 3.2Å |
| 342 | R | 47 | Very low | 42 | Very low | 203 Ų | 203 | 127.8 Ų | 127.8 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.5 | -35.1 | 171.7 | -83.5 | -175.2 | 177.9 | -172.1 | 0.3 | 112.8 | A338 R339 L344 R345 | A338-R342 WeakPolarHBondContact O-CB 3.45Å; A338-R342 WeakPolarHBondContact O-CG 3.45Å; A338-R342 PolarHBondContact O-N 2.93Å; R339-R342 PolarHBondContact O-N 3.19Å; R342-L344 VanDerWaalsContact C-N 3.3Å; R342-R345 PolarHBondContact O-N 2.94Å |
| 343 | S | 45.6 | Very low | 41.6 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76 | -17.6 | 175.3 | 61.7 | 0 | 0 | 0 | 0 | 113.5 | R339 T340 | R339-S343 PolarHBondContact O-N 3.01Å; R339-S343 PolarHBondContact O-OG 2.95Å; T340-S343 WeakPolarHBondContact CA-OG 3.31Å; T340-S343 PolarHBondContact O-N 3.48Å; T340-S343 PolarHBondContact O-OG 3.4Å |
| 344 | L | 38 | Very low | 40.9 | Very low | 132 Ų | 132 | 131 Ų | 131 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 11.4 | 174.2 | -69.3 | 168.2 | 0 | 0 | 0 | 113.2 | T340 Q341 R342 P346 | T340-L344 HydrophobicContact CG2-CD1 4.49Å; T340-L344 WeakPolarHBondContact O-CB 3.32Å; T340-L344 WeakPolarHBondContact O-CD1 3.49Å; T340-L344 VanDerWaalsContact O-CG 3.27Å; T340-L344 WeakPolarHBondContact O-CG 3.4Å; T340-L344 PolarHBondContact O-N 3.22Å; T340-L344 VanDerWaalsContact O-N 3.09Å; Q341-L344 PolarHBondContact O-N 3.09Å; R342-L344 VanDerWaalsContact C-N 3.3Å; L344-P346 WeakPolarHBondContact O-CD 3.38Å |
| 345 | R | 30.7 | Very low | 40.3 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -65.9 | 120.1 | 166.3 | -85 | -167.1 | 178.4 | -161.4 | -0.6 | 108.6 | Q341 R342 V347 | Q341-R345 PolarHBondContact O-N 3.2Å; R342-R345 PolarHBondContact O-N 2.94Å; R345-V347 PolarHBondContact O-N 2.74Å |
| 346 | P | 33.5 | Very low | 39.7 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | trans | -67.7 | 126.9 | -176.7 | -11.7 | 26.7 | 0 | 0 | 0 | 109.3 | L344 F348 | L344-P346 WeakPolarHBondContact O-CD 3.38Å; P346-F348 HydrophobicContact CB-CB 4.28Å; P346-F348 HydrophobicContact CB-CD2 3.23Å; P346-F348 HydrophobicContact CB-CE2 3.89Å; P346-F348 HydrophobicContact CB-CG 4.16Å; P346-F348 PolarHBondContact O-N 3.43Å | ||
| 347 | V | 35.1 | Very low | 39.4 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 89% | 0.891 | 71% | 0.707 | S | S | * | * | trans | -66.4 | 84.5 | 157.6 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | R345 | R345-V347 PolarHBondContact O-N 2.74Š| ||
| 348 | F | 29.8 | Very low | 38.7 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | trans | -150.7 | 121.2 | 174.3 | -76.6 | -95.2 | 0 | 0 | 0 | 104.3 | P346 | P346-F348 HydrophobicContact CB-CB 4.28Å; P346-F348 HydrophobicContact CB-CD2 3.23Å; P346-F348 HydrophobicContact CB-CE2 3.89Å; P346-F348 HydrophobicContact CB-CG 4.16Å; P346-F348 PolarHBondContact O-N 3.43Å | ||
| 349 | F | 30 | Very low | 38.2 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -151.5 | 134.5 | 9.4 | -111.3 | -88.6 | 0 | 0 | 0 | 105.2 | S351 | F349-S351 VanDerWaalsContact CD1-OG 3.26Å; F349-S351 WeakPolarHBondContact CD1-OG 3.5Å | ||
| 350 | N | 27.9 | Very low | 37.2 | Very low | 178 Ų | 178 | 145 Ų | 145 | 95% | 0.952 | 75% | 0.745 | S | S | * | * | trans | -104 | 107 | 149 | -104 | -1 | 0 | 0 | 0 | 104.9 | ||||
| 351 | S | 35.1 | Very low | 36.3 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 100% | 1.147 | 77% | 0.772 | S | S | * | * | trans | -155.1 | 0 | 163.4 | 55.5 | 0 | 0 | 0 | 0 | 108.2 | F349 | F349-S351 VanDerWaalsContact CD1-OG 3.26Å; F349-S351 WeakPolarHBondContact CD1-OG 3.5Å |
Retrieved 351 of 351 residues in 149.4 ms
(Link to these results)