| 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 | 46.2 | Very low | 87.9 | Confident | 243 Ų | 243 | 67.9 Ų | 67.9 | 100% | 1.197 | 37% | 0.366 | S | S | * | . | 0 | 126.2 | 0 | -76.8 | 179.3 | -102 | 0 | 0 | 107 | A3 | M1-A3 PolarHBondContact O-N 3.39Š| |||
| 2 | A | 57.3 | Low | 88.8 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 132 | 172 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 3 | A | 77.4 | Confident | 89.6 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 62% | 0.62 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 140.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1 | M1-A3 PolarHBondContact O-N 3.39Š|
| 4 | R | 94.7 | Very high | 90.2 | Very high | 150 Ų | 150 | 56.7 Ų | 56.7 | 57% | 0.566 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 141.3 | 173.8 | -81.7 | -178 | 168.8 | 162.6 | -3.2 | 109.9 | K6 | R4-K6 PolarHBondContact O-N 3.34Š|
| 5 | P | 98.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 135.1 | 173.5 | -22.7 | 32.9 | 0 | 0 | 0 | 110.6 | L7 L23 V28 F30 D31 V58 E59 I60 | P5-L7 HydrophobicContact CB-CD1 4.31Å; P5-L23 HydrophobicContact CB-CD1 4.36Å; P5-L23 HydrophobicContact CG-CD2 4.19Å; P5-V28 HydrophobicContact CG-CG1 3.84Å; P5-F30 HydrophobicContact CB-CB 4.08Å; P5-F30 WeakPolarHBondContact O-CA 3.43Å; P5-F30 WeakPolarHBondContact O-CB 3.3Å; P5-D31 PolarHBondContact O-N 3.38Å; P5-V58 HydrophobicContact CB-CG1 4.3Å; P5-E59 CarbonylContact C-O 3.49Å; P5-E59 WeakPolarHBondContact CA-O 3.4Å; P5-I60 HydrophobicContact CB-CB 4.42Å; P5-I60 HydrophobicContact CB-CD1 4.27Å; P5-I60 HydrophobicContact CB-CG1 4.4Å; P5-I60 HydrophobicContact CG-CD1 3.82Å; P5-I60 HydrophobicContact CG-CG1 4.08Å |
| 6 | K | 98.8 | Very high | 91.3 | Very high | 68 Ų | 68 | 54.8 Ų | 54.8 | 30% | 0.296 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.9 | 173.8 | -170.8 | -163.5 | -77.9 | -171.6 | 0 | 110.1 | R4 D31 E33 V58 E59 | R4-K6 PolarHBondContact O-N 3.34Å; K6-D31 WeakPolarHBondContact CA-O 3.4Å; K6-E33 HydrophobicContact CD-CB 4Å; K6-E33 WeakPolarHBondContact CD-OE2 3.42Å; K6-E33 HydrophobicContact CG-CB 4.3Å; K6-E33 IonicContact NZ-OE2 2.82Å; K6-E33 PolarHBondContact NZ-OE2 2.82Å; K6-V58 WeakPolarHBondContact O-CA 3.26Å; K6-E59 HydrophobicContact CB-CB 4.18Å; K6-E59 PolarHBondContact N-O 3.4Å; K6-E59 PolarHBondContact O-N 3.44Å |
| 7 | L | 98.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.1 | -177.2 | -80.9 | 57.3 | 0 | 0 | 0 | 110.4 | P5 M16 V19 R20 L23 F30 D31 E32 E33 V58 | P5-L7 HydrophobicContact CB-CD1 4.31Å; L7-M16 HydrophobicContact CB-CE 4.06Å; L7-M16 HydrophobicContact CB-CG 4.38Å; L7-M16 HydrophobicContact CB-SD 4.14Å; L7-M16 HydrophobicContact CD2-CG 3.8Å; L7-M16 HydrophobicContact CD2-SD 3.72Å; L7-M16 HydrophobicContact CG-CE 4.17Å; L7-M16 HydrophobicContact CG-CG 4.26Å; L7-M16 HydrophobicContact CG-SD 3.69Å; L7-V19 HydrophobicContact CD2-CG1 4.24Å; L7-V19 HydrophobicContact CG-CG1 4.43Å; L7-R20 HydrophobicContact CD2-CG 3.71Å; L7-L23 HydrophobicContact CD1-CD1 3.78Å; L7-L23 HydrophobicContact CD2-CD1 4.39Å; L7-F30 HydrophobicContact CD1-CB 4.16Å; L7-F30 HydrophobicContact CD1-CD2 4.12Å; L7-F30 HydrophobicContact CD1-CG 4.32Å; L7-F30 HydrophobicContact CD2-CD2 3.96Å; L7-F30 HydrophobicContact CD2-CE2 4.01Å; L7-D31 PolarHBondContact N-O 2.74Å; L7-E32 HydrophobicContact CB-CG 4.37Å; L7-E33 PolarHBondContact O-N 3.48Å; L7-V58 HydrophobicContact CD1-CG1 4.07Å; L7-V58 HydrophobicContact CD1-CG2 4.21Å; L7-V58 HydrophobicContact CG-CG2 4.02Å |
| 8 | H | 98.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.5 | 175.4 | -68.2 | -97.6 | 0 | 0 | 0 | 110 | M16 E33 L44 M57 E59 | H8-M16 WeakPolarHBondContact O-CE 3.41Å; H8-E33 IonicContact CE1-OE1 3.58Å; H8-E33 IonicContact CE1-OE2 2.77Å; H8-L44 HydrophobicContact CB-CD1 4.31Å; H8-M57 HydrophobicContact CB-CB 4.31Å; H8-M57 HydrophobicContact CB-CE 4.03Å; H8-M57 WeakPolarHBondContact CD2-CE 3.37Å; H8-M57 PolarHBondContact N-O 3.07Å; H8-E59 IonicContact CD2-OE1 2.83Å; H8-E59 IonicContact CE1-OE1 3.51Å; H8-E59 IonicContact NE2-OE1 3.71Å; H8-E59 PolarHBondContact NE2-OE1 3.03Å |
| 9 | Y | 98.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 160.5 | -178.1 | -151 | -112.4 | 0 | 0 | 0 | 111.1 | R13 R15 M16 F34 L35 V55 P56 | Y9-R13 WeakPolarHBondContact CE1-O 3.43Å; Y9-R15 PolarHBondContact OH-N 3.15Å; Y9-M16 HydrophobicContact CD1-CB 3.44Å; Y9-M16 VanDerWaalsContact CD1-CB 3.44Å; Y9-M16 HydrophobicContact CD1-CG 4.41Å; Y9-M16 HydrophobicContact CD2-CB 3.85Å; Y9-M16 HydrophobicContact CD2-CE 4.27Å; Y9-M16 HydrophobicContact CE1-CB 3.93Å; Y9-M16 HydrophobicContact CE2-CB 4.31Å; Y9-M16 HydrophobicContact CG-CB 3.4Å; Y9-M16 HydrophobicContact CG-CE 4.34Å; Y9-M16 HydrophobicContact CG-CG 4.08Å; Y9-F34 VanDerWaalsContact O-CA 3.28Å; Y9-F34 WeakPolarHBondContact O-CA 3.34Å; Y9-L35 PolarHBondContact O-N 2.55Å; Y9-V55 HydrophobicContact CD2-CB 4.01Å; Y9-V55 HydrophobicContact CD2-CG2 3.8Å; Y9-V55 HydrophobicContact CE2-CB 4.4Å; Y9-V55 HydrophobicContact CE2-CG2 3.93Å; Y9-P56 HydrophobicContact CD2-CB 4.43Å; Y9-P56 HydrophobicContact CD2-CG 4.05Å; Y9-P56 HydrophobicContact CE2-CG 3.74Å |
| 10 | P | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 156.7 | 167.6 | -23.5 | 32.5 | 0 | 0 | 0 | 113.1 | G12 L35 Y212 V216 I219 F220 | P10-G12 VanDerWaalsContact C-N 3.26Å; P10-G12 PolarHBondContact O-N 3.36Å; P10-L35 WeakPolarHBondContact CA-O 3.39Å; P10-L35 HydrophobicContact CG-CB 4.28Å; P10-Y212 HydrophobicContact CB-CE2 4.13Å; P10-V216 HydrophobicContact CB-CG2 4.37Å; P10-V216 HydrophobicContact CG-CG2 4.33Å; P10-I219 HydrophobicContact CB-CD1 4.5Å; P10-I219 HydrophobicContact CG-CD1 4.23Å; P10-F220 HydrophobicContact CG-CE2 3.7Å; P10-F220 HydrophobicContact CG-CZ 4.11Å |
| 11 | N | 98.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 42.2 Ų | 42.2 | 51% | 0.508 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -73.4 | 78.5 | 178.1 | -169.6 | 5.2 | 0 | 0 | 0 | 111.8 | F34 K205 | N11-F34 HydrophobicContact CB-CB 4.26Å; N11-F34 HydrophobicContact CB-CD1 3.7Å; N11-F34 HydrophobicContact CB-CD2 4.03Å; N11-F34 HydrophobicContact CB-CE1 4.01Å; N11-F34 HydrophobicContact CB-CE2 4.3Å; N11-F34 HydrophobicContact CB-CG 3.73Å; N11-F34 HydrophobicContact CB-CZ 4.3Å; N11-K205 WeakPolarHBondContact OD1-CE 3.34Å |
| 12 | G | 98.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 179.6 | -175.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P10 R20 | P10-G12 VanDerWaalsContact C-N 3.26Å; P10-G12 PolarHBondContact O-N 3.36Å; G12-R20 PolarHBondContact O-NH1 3.07Å; G12-R20 PolarHBondContact O-NH2 2.93Å |
| 13 | R | 98.8 | Very high | 97.6 | Very high | 30 Ų | 30 | 26.7 Ų | 26.7 | 11% | 0.113 | 13% | 0.133 | C | C | . | . | trans | -64.2 | -79.4 | -175.5 | -70.1 | -175.6 | 175.9 | 179.4 | 5.2 | 112.2 | Y9 M16 E17 R20 E169 K205 P206 | Y9-R13 WeakPolarHBondContact CE1-O 3.43Å; R13-M16 PolarHBondContact O-N 2.9Å; R13-E17 HydrophobicContact CB-CB 3.89Å; R13-E17 HydrophobicContact CB-CG 4.01Å; R13-E17 HydrophobicContact CG-CB 4.25Å; R13-E17 HydrophobicContact CG-CG 3.78Å; R13-E17 PolarHBondContact O-N 2.65Å; R13-E17 VanDerWaalsContact O-N 3.14Å; R13-R20 PolarHBondContact O-NH1 2.88Å; R13-E169 IonicContact CZ-OE1 2.73Å; R13-E169 IonicContact CZ-OE2 3.19Å; R13-E169 IonicContact NH1-OE1 3.91Å; R13-E169 IonicContact NH1-OE2 3.62Å; R13-E169 PolarHBondContact NH1-OE2 3.49Å; R13-E169 IonicContact NH2-OE1 3.62Å; R13-E169 PolarHBondContact NH2-OE1 3.1Å; R13-E169 IonicContact NH2-OE2 2.67Å; R13-E169 PolarHBondContact NH2-OE2 3.01Å; R13-K205 HydrophobicContact CB-CB 4.49Å; R13-K205 HydrophobicContact CG-CB 3.69Å; R13-K205 PolarHBondContact NE-O 3.34Å; R13-K205 PolarHBondContact NH2-O 2.92Å; R13-P206 WeakPolarHBondContact CD-O 3.27Å; R13-P206 WeakPolarHBondContact CG-O 3.37Å; R13-P206 PolarHBondContact NE-O 3.39Å | ||
| 14 | G | 98.6 | Very high | 98.6 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | 43.2 | -141.4 | -170 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y212 | G14-Y212 WeakPolarHBondContact CA-OH 3.44Å; G14-Y212 PolarHBondContact N-OH 2.83Å |
| 15 | R | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 17 Ų | 17 | 31% | 0.309 | 9% | 0.085 | S | C | . | . | G | 310 helix | trans | -77.9 | -19.7 | -179.5 | -61.8 | -178.4 | -171 | -82.9 | -0.6 | 113.6 | Y9 E17 P56 T68 E104 I107 | Y9-R15 PolarHBondContact OH-N 3.15Å; R15-E17 VanDerWaalsContact C-N 3.31Å; R15-P56 HydrophobicContact CB-CG 3.67Å; R15-T68 WeakPolarHBondContact O-CG2 3.33Å; R15-E104 IonicContact CZ-OE1 2.69Å; R15-E104 VanDerWaalsContact CZ-OE1 3.31Å; R15-E104 IonicContact CZ-OE2 3.95Å; R15-E104 VanDerWaalsContact NH1-CD 3.29Å; R15-E104 IonicContact NH1-OE1 2.62Å; R15-E104 PolarHBondContact NH1-OE1 3.34Å; R15-E104 VanDerWaalsContact NH1-OE1 3.15Å; R15-E104 IonicContact NH1-OE2 2.66Å; R15-E104 PolarHBondContact NH1-OE2 2.93Å; R15-E104 IonicContact NH2-OE1 3.15Å; R15-E104 PolarHBondContact NH2-OE1 3.33Å; R15-E104 IonicContact NH2-OE2 2.65Å; R15-I107 HydrophobicContact CG-CD1 4.22Å; R15-I107 HydrophobicContact CG-CG2 4.16Å |
| 16 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -76.8 | -19.4 | -178.7 | -171.4 | 62.2 | 85.4 | 0 | 0 | 112.5 | L7 H8 Y9 R13 S18 V19 R20 P56 M57 V58 | L7-M16 HydrophobicContact CB-CE 4.06Å; L7-M16 HydrophobicContact CB-CG 4.38Å; L7-M16 HydrophobicContact CB-SD 4.14Å; L7-M16 HydrophobicContact CD2-CG 3.8Å; L7-M16 HydrophobicContact CD2-SD 3.72Å; L7-M16 HydrophobicContact CG-CE 4.17Å; L7-M16 HydrophobicContact CG-CG 4.26Å; L7-M16 HydrophobicContact CG-SD 3.69Å; H8-M16 WeakPolarHBondContact O-CE 3.41Å; Y9-M16 HydrophobicContact CD1-CB 3.44Å; Y9-M16 VanDerWaalsContact CD1-CB 3.44Å; Y9-M16 HydrophobicContact CD1-CG 4.41Å; Y9-M16 HydrophobicContact CD2-CB 3.85Å; Y9-M16 HydrophobicContact CD2-CE 4.27Å; Y9-M16 HydrophobicContact CE1-CB 3.93Å; Y9-M16 HydrophobicContact CE2-CB 4.31Å; Y9-M16 HydrophobicContact CG-CB 3.4Å; Y9-M16 HydrophobicContact CG-CE 4.34Å; Y9-M16 HydrophobicContact CG-CG 4.08Å; R13-M16 PolarHBondContact O-N 2.9Å; M16-S18 VanDerWaalsContact C-N 3.26Å; M16-S18 PolarHBondContact O-N 2.7Å; M16-V19 WeakPolarHBondContact O-CB 3.23Å; M16-V19 PolarHBondContact O-N 3.18Å; M16-V19 HydrophobicContact SD-CB 3.71Å; M16-V19 HydrophobicContact SD-CG1 4.02Å; M16-V19 HydrophobicContact SD-CG2 3.88Å; M16-R20 PolarHBondContact O-N 3.29Å; M16-R20 VanDerWaalsContact O-N 3.12Å; M16-P56 HydrophobicContact CB-CG 4.48Å; M16-P56 HydrophobicContact CE-CB 3.52Å; M16-P56 HydrophobicContact CE-CG 4.41Å; M16-P56 HydrophobicContact SD-CB 4.07Å; M16-M57 WeakPolarHBondContact CE-O 3.44Å; M16-V58 HydrophobicContact CE-CG2 4.02Å; M16-V58 HydrophobicContact SD-CG2 4.08Å |
| 17 | E | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.7 | -39.9 | -178.3 | -160.9 | 61 | -170.5 | 0 | 0 | 112.3 | R13 R15 V19 R20 W21 K205 | R13-E17 HydrophobicContact CB-CB 3.89Å; R13-E17 HydrophobicContact CB-CG 4.01Å; R13-E17 HydrophobicContact CG-CB 4.25Å; R13-E17 HydrophobicContact CG-CG 3.78Å; R13-E17 PolarHBondContact O-N 2.65Å; R13-E17 VanDerWaalsContact O-N 3.14Å; R15-E17 VanDerWaalsContact C-N 3.31Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 PolarHBondContact O-N 2.95Å; E17-R20 WeakPolarHBondContact O-CB 3.5Å; E17-R20 PolarHBondContact O-N 2.96Å; E17-R20 VanDerWaalsContact O-N 3.13Å; E17-R20 IonicContact OE2-CZ 2.96Å; E17-R20 IonicContact OE2-NE 3.92Å; E17-R20 IonicContact OE2-NH1 3.35Å; E17-R20 PolarHBondContact OE2-NH1 2.91Å; E17-W21 VanDerWaalsContact O-CD1 3.23Å; E17-W21 PolarHBondContact O-N 2.9Å; E17-K205 PolarHBondContact OE1-N 2.97Å; E17-K205 WeakPolarHBondContact OE2-CB 3.2Å; E17-K205 WeakPolarHBondContact OE2-CG 3.4Å |
| 18 | S | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -35.4 | 176 | -59.9 | 0 | 0 | 0 | 0 | 113 | M16 W21 V22 L103 Q162 | M16-S18 VanDerWaalsContact C-N 3.26Å; M16-S18 PolarHBondContact O-N 2.7Å; S18-W21 PolarHBondContact O-N 2.77Å; S18-V22 VanDerWaalsContact O-CG2 3.31Å; S18-V22 WeakPolarHBondContact O-CG2 3.34Å; S18-V22 PolarHBondContact O-N 3.07Å; S18-V22 VanDerWaalsContact O-N 3.1Å; S18-L103 WeakPolarHBondContact OG-CD2 3.41Å; S18-Q162 PolarHBondContact OG-NE2 3.24Å; S18-Q162 PolarHBondContact OG-OE1 3.24Å |
| 19 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | L7 M16 E17 W21 V22 L23 V58 T68 I71 L72 I75 | L7-V19 HydrophobicContact CD2-CG1 4.24Å; L7-V19 HydrophobicContact CG-CG1 4.43Å; M16-V19 WeakPolarHBondContact O-CB 3.23Å; M16-V19 PolarHBondContact O-N 3.18Å; M16-V19 HydrophobicContact SD-CB 3.71Å; M16-V19 HydrophobicContact SD-CG1 4.02Å; M16-V19 HydrophobicContact SD-CG2 3.88Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 PolarHBondContact O-N 2.95Å; V19-W21 VanDerWaalsContact C-N 3.34Å; V19-W21 PolarHBondContact O-N 2.75Å; V19-V22 PolarHBondContact O-N 2.99Å; V19-L23 HydrophobicContact CG1-CD1 3.93Å; V19-L23 HydrophobicContact CG1-CG 4.42Å; V19-L23 WeakPolarHBondContact O-CG 3.47Å; V19-L23 PolarHBondContact O-N 2.77Å; V19-V58 HydrophobicContact CG1-CG2 4.06Å; V19-T68 HydrophobicContact CG2-CG2 4.48Å; V19-I71 HydrophobicContact CG1-CG2 3.91Å; V19-I71 HydrophobicContact CG2-CB 4.46Å; V19-I71 HydrophobicContact CG2-CG2 3.81Å; V19-L72 HydrophobicContact CG2-CD2 4.18Å; V19-I75 HydrophobicContact CG1-CD1 3.85Å |
| 20 | R | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 175.7 | -61.1 | -176.9 | -175.5 | 102.1 | 3.6 | 111.6 | L7 G12 R13 M16 E17 V22 L23 A24 F30 E32 F197 | L7-R20 HydrophobicContact CD2-CG 3.71Å; G12-R20 PolarHBondContact O-NH1 3.07Å; G12-R20 PolarHBondContact O-NH2 2.93Å; R13-R20 PolarHBondContact O-NH1 2.88Å; M16-R20 PolarHBondContact O-N 3.29Å; M16-R20 VanDerWaalsContact O-N 3.12Å; E17-R20 WeakPolarHBondContact O-CB 3.5Å; E17-R20 PolarHBondContact O-N 2.96Å; E17-R20 VanDerWaalsContact O-N 3.13Å; E17-R20 IonicContact OE2-CZ 2.96Å; E17-R20 IonicContact OE2-NE 3.92Å; E17-R20 IonicContact OE2-NH1 3.35Å; E17-R20 PolarHBondContact OE2-NH1 2.91Å; R20-V22 PolarHBondContact O-N 3.31Å; R20-L23 PolarHBondContact O-N 2.91Å; R20-A24 VanDerWaalsContact O-CB 3.25Å; R20-A24 WeakPolarHBondContact O-CB 3.25Å; R20-A24 PolarHBondContact O-N 2.94Å; R20-F30 HydrophobicContact CB-CE2 4.49Å; R20-F30 HydrophobicContact CB-CZ 3.85Å; R20-F30 HydrophobicContact CG-CE2 4.01Å; R20-F30 HydrophobicContact CG-CZ 3.87Å; R20-E32 IonicContact CZ-OE1 3.26Å; R20-E32 IonicContact NE-OE1 2.68Å; R20-E32 PolarHBondContact NE-OE1 3.34Å; R20-E32 IonicContact NH2-OE1 3.55Å; R20-E32 PolarHBondContact NH2-OE1 3.38Å; R20-F197 HydrophobicContact CB-CE2 4.4Å; R20-F197 HydrophobicContact CB-CZ 3.89Å |
| 21 | W | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 2% | 0.023 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 177.1 | -90.6 | 94.7 | 0 | 0 | 0 | 112.2 | E17 S18 V19 A24 A25 V158 L161 Q162 L165 I194 F197 L198 K204 | E17-W21 VanDerWaalsContact O-CD1 3.23Å; E17-W21 PolarHBondContact O-N 2.9Å; S18-W21 PolarHBondContact O-N 2.77Å; V19-W21 VanDerWaalsContact C-N 3.34Å; V19-W21 PolarHBondContact O-N 2.75Å; W21-A24 PolarHBondContact O-N 3.37Å; W21-A25 VanDerWaalsContact O-CB 3.28Å; W21-A25 WeakPolarHBondContact O-CB 3.41Å; W21-A25 PolarHBondContact O-N 2.88Å; W21-V158 HydrophobicContact CB-CG1 3.84Å; W21-V158 HydrophobicContact CE3-CG1 4.35Å; W21-L161 HydrophobicContact CH2-CD2 4.31Å; W21-L161 HydrophobicContact CH2-CG 4.33Å; W21-L161 HydrophobicContact CZ3-CD2 3.81Å; W21-L161 HydrophobicContact CZ3-CG 4.15Å; W21-Q162 HydrophobicContact CD2-CB 3.98Å; W21-Q162 HydrophobicContact CD2-CG 4.4Å; W21-Q162 HydrophobicContact CG-CB 4.07Å; W21-Q162 HydrophobicContact CG-CG 4.2Å; W21-Q162 HydrophobicContact CZ2-CB 4.42Å; W21-L165 HydrophobicContact CH2-CD1 3.66Å; W21-L165 HydrophobicContact CZ2-CD1 4.17Å; W21-I194 HydrophobicContact CZ3-CG2 4.02Å; W21-F197 HydrophobicContact CB-CE1 4.39Å; W21-F197 AromaticContact CD1-CE1 3.82Å; W21-F197 AromaticContact CD2-CD1 3.92Å; W21-F197 HydrophobicContact CD2-CD1 3.92Å; W21-F197 AromaticContact CD2-CE1 3.61Å; W21-F197 HydrophobicContact CD2-CE1 3.61Å; W21-F197 AromaticContact CE2-CE1 3.71Å; W21-F197 AromaticContact CE3-CD1 3.99Å; W21-F197 HydrophobicContact CE3-CD1 3.99Å; W21-F197 HydrophobicContact CE3-CE1 4.17Å; W21-F197 HydrophobicContact CG-CD1 4.39Å; W21-F197 AromaticContact CG-CE1 3.7Å; W21-F197 HydrophobicContact CG-CE1 3.7Å; W21-F197 HydrophobicContact CZ2-CD1 4.45Å; W21-F197 HydrophobicContact CZ2-CE1 4.36Å; W21-F197 HydrophobicContact CZ3-CD1 4.3Å; W21-F197 AromaticContact NE1-CE1 3.78Å; W21-L198 HydrophobicContact CH2-CD2 3.58Å; W21-L198 HydrophobicContact CH2-CG 4.32Å; W21-L198 HydrophobicContact CZ2-CD2 4.06Å; W21-K204 HydrophobicContact CZ2-CD 4.29Å |
| 22 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.4 | -41.7 | -177.9 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | S18 V19 R20 A24 A25 A26 L72 I75 L81 L155 V158 I159 | S18-V22 VanDerWaalsContact O-CG2 3.31Å; S18-V22 WeakPolarHBondContact O-CG2 3.34Å; S18-V22 PolarHBondContact O-N 3.07Å; S18-V22 VanDerWaalsContact O-N 3.1Å; V19-V22 PolarHBondContact O-N 2.99Å; R20-V22 PolarHBondContact O-N 3.31Å; V22-A24 VanDerWaalsContact C-N 3.35Å; V22-A24 PolarHBondContact O-N 3.12Å; V22-A25 PolarHBondContact O-N 3.17Å; V22-A26 VanDerWaalsContact O-CB 3.32Å; V22-A26 WeakPolarHBondContact O-CB 3.28Å; V22-A26 PolarHBondContact O-N 3.37Å; V22-L72 HydrophobicContact CB-CD2 4.35Å; V22-L72 HydrophobicContact CG2-CD2 3.78Å; V22-I75 HydrophobicContact CG1-CB 4.26Å; V22-I75 HydrophobicContact CG1-CG2 3.64Å; V22-L81 HydrophobicContact CG1-CD1 3.92Å; V22-L155 HydrophobicContact CB-CD1 4.44Å; V22-L155 HydrophobicContact CG1-CD1 4.16Å; V22-L155 HydrophobicContact CG2-CD1 3.37Å; V22-V158 HydrophobicContact CG2-CB 4.33Å; V22-V158 HydrophobicContact CG2-CG1 3.8Å; V22-I159 HydrophobicContact CG2-CD1 4.18Å |
| 23 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 174.3 | -71.9 | 170.5 | 0 | 0 | 0 | 111.5 | P5 L7 V19 R20 A26 G27 V28 F30 I75 | P5-L23 HydrophobicContact CB-CD1 4.36Å; P5-L23 HydrophobicContact CG-CD2 4.19Å; L7-L23 HydrophobicContact CD1-CD1 3.78Å; L7-L23 HydrophobicContact CD2-CD1 4.39Å; V19-L23 HydrophobicContact CG1-CD1 3.93Å; V19-L23 HydrophobicContact CG1-CG 4.42Å; V19-L23 WeakPolarHBondContact O-CG 3.47Å; V19-L23 PolarHBondContact O-N 2.77Å; R20-L23 PolarHBondContact O-N 2.91Å; L23-A26 CarbonylContact O-C 3.57Å; L23-A26 PolarHBondContact O-N 3.42Å; L23-G27 PolarHBondContact O-N 3.39Å; L23-V28 HydrophobicContact CB-CB 4.38Å; L23-V28 HydrophobicContact CD2-CB 4.03Å; L23-V28 HydrophobicContact CD2-CG1 3.94Å; L23-V28 PolarHBondContact O-N 3.37Å; L23-F30 HydrophobicContact CB-CD1 3.7Å; L23-F30 HydrophobicContact CB-CE1 3.97Å; L23-F30 HydrophobicContact CD1-CB 4.03Å; L23-F30 HydrophobicContact CD1-CD1 3.8Å; L23-F30 HydrophobicContact CD1-CE1 4.44Å; L23-F30 HydrophobicContact CD1-CG 3.93Å; L23-F30 HydrophobicContact CG-CD1 4.39Å; L23-I75 HydrophobicContact CD2-CD1 3.91Å; L23-I75 HydrophobicContact CD2-CG1 4.26Å; L23-I75 HydrophobicContact CD2-CG2 3.98Å; L23-I75 HydrophobicContact CG-CD1 4.03Å |
| 24 | A | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 12% | 0.116 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R20 W21 V22 A26 G27 T193 F197 | R20-A24 VanDerWaalsContact O-CB 3.25Å; R20-A24 WeakPolarHBondContact O-CB 3.25Å; R20-A24 PolarHBondContact O-N 2.94Å; W21-A24 PolarHBondContact O-N 3.37Å; V22-A24 VanDerWaalsContact C-N 3.35Å; V22-A24 PolarHBondContact O-N 3.12Å; A24-A26 VanDerWaalsContact C-N 3.26Å; A24-A26 PolarHBondContact O-N 2.91Å; A24-G27 PolarHBondContact O-N 3.45Å; A24-T193 WeakPolarHBondContact O-CB 3.46Å; A24-F197 HydrophobicContact CB-CB 3.82Å; A24-F197 HydrophobicContact CB-CD1 4.11Å; A24-F197 HydrophobicContact CB-CD2 3.3Å; A24-F197 HydrophobicContact CB-CE2 3.81Å; A24-F197 HydrophobicContact CB-CG 3.47Å; A24-F197 VanDerWaalsContact CB-CG 3.47Å; A24-F197 HydrophobicContact CB-CZ 4.4Å |
| 25 | A | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.7 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | W21 V22 G27 L153 V158 T193 I194 | W21-A25 VanDerWaalsContact O-CB 3.28Å; W21-A25 WeakPolarHBondContact O-CB 3.41Å; W21-A25 PolarHBondContact O-N 2.88Å; V22-A25 PolarHBondContact O-N 3.17Å; A25-G27 PolarHBondContact O-N 3.35Å; A25-L153 HydrophobicContact CB-CD2 4.31Å; A25-V158 HydrophobicContact CB-CG1 4.28Å; A25-V158 HydrophobicContact CB-CG2 3.72Å; A25-T193 WeakPolarHBondContact O-CB 3.46Å; A25-T193 PolarHBondContact O-OG1 3.2Å; A25-I194 HydrophobicContact CB-CD1 4.44Å; A25-I194 HydrophobicContact CB-CG1 4.06Å |
| 26 | A | 98.5 | Very high | 98.7 | Very high | 30 Ų | 30 | 30.2 Ų | 30.2 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V22 L23 A24 V28 H79 L81 | V22-A26 VanDerWaalsContact O-CB 3.32Å; V22-A26 WeakPolarHBondContact O-CB 3.28Å; V22-A26 PolarHBondContact O-N 3.37Å; L23-A26 CarbonylContact O-C 3.57Å; L23-A26 PolarHBondContact O-N 3.42Å; A24-A26 VanDerWaalsContact C-N 3.26Å; A24-A26 PolarHBondContact O-N 2.91Å; A26-V28 VanDerWaalsContact C-N 3.32Å; A26-V28 HydrophobicContact CB-CG2 4.01Å; A26-V28 PolarHBondContact O-N 3.22Å; A26-H79 HydrophobicContact CB-CB 3.87Å; A26-L81 HydrophobicContact CB-CD1 4.34Å |
| 27 | G | 98.2 | Very high | 98.7 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 47% | 0.474 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 24.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L23 A24 A25 | L23-G27 PolarHBondContact O-N 3.39Å; A24-G27 PolarHBondContact O-N 3.45Å; A25-G27 PolarHBondContact O-N 3.35Å |
| 28 | V | 98.4 | Very high | 98.6 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | trans | -95.1 | 117.2 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | P5 L23 A26 F30 H79 | P5-V28 HydrophobicContact CG-CG1 3.84Å; L23-V28 HydrophobicContact CB-CB 4.38Å; L23-V28 HydrophobicContact CD2-CB 4.03Å; L23-V28 HydrophobicContact CD2-CG1 3.94Å; L23-V28 PolarHBondContact O-N 3.37Å; A26-V28 VanDerWaalsContact C-N 3.32Å; A26-V28 HydrophobicContact CB-CG2 4.01Å; A26-V28 PolarHBondContact O-N 3.22Å; V28-F30 WeakPolarHBondContact O-CD1 3.13Å; V28-H79 WeakPolarHBondContact CG2-CE1 3.4Å | ||
| 29 | E | 98.2 | Very high | 98.6 | Very high | 104 Ų | 104 | 41 Ų | 41 | 49% | 0.486 | 22% | 0.218 | S | C | . | . | trans | -70.5 | 134.6 | 168.1 | -69.5 | -62.7 | 145.4 | 0 | 0 | 110.6 | K203 | E29-K203 IonicContact OE2-NZ 3.84Š| ||
| 30 | F | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | -136.1 | 156.5 | -179.4 | 60.3 | -93.4 | 0 | 0 | 0 | 111.7 | P5 L7 R20 L23 V28 E32 K203 | P5-F30 HydrophobicContact CB-CB 4.08Å; P5-F30 WeakPolarHBondContact O-CA 3.43Å; P5-F30 WeakPolarHBondContact O-CB 3.3Å; L7-F30 HydrophobicContact CD1-CB 4.16Å; L7-F30 HydrophobicContact CD1-CD2 4.12Å; L7-F30 HydrophobicContact CD1-CG 4.32Å; L7-F30 HydrophobicContact CD2-CD2 3.96Å; L7-F30 HydrophobicContact CD2-CE2 4.01Å; R20-F30 HydrophobicContact CB-CE2 4.49Å; R20-F30 HydrophobicContact CB-CZ 3.85Å; R20-F30 HydrophobicContact CG-CE2 4.01Å; R20-F30 HydrophobicContact CG-CZ 3.87Å; L23-F30 HydrophobicContact CB-CD1 3.7Å; L23-F30 HydrophobicContact CB-CE1 3.97Å; L23-F30 HydrophobicContact CD1-CB 4.03Å; L23-F30 HydrophobicContact CD1-CD1 3.8Å; L23-F30 HydrophobicContact CD1-CE1 4.44Å; L23-F30 HydrophobicContact CD1-CG 3.93Å; L23-F30 HydrophobicContact CG-CD1 4.39Å; V28-F30 WeakPolarHBondContact O-CD1 3.13Å; F30-E32 HydrophobicContact CD2-CG 4.02Å; F30-E32 HydrophobicContact CE2-CG 3.96Å; F30-K203 HydrophobicContact CD2-CD 3.97Å; F30-K203 HydrophobicContact CE2-CB 3.88Å; F30-K203 HydrophobicContact CE2-CD 3.54Å; F30-K203 HydrophobicContact CE2-CG 4.33Å; F30-K203 HydrophobicContact CZ-CB 3.72Å; F30-K203 HydrophobicContact CZ-CD 4Å; F30-K203 HydrophobicContact CZ-CG 4.41Å; F30-K203 VanDerWaalsContact O-CE 3.25Å; F30-K203 WeakPolarHBondContact O-CE 3.21Å; F30-K203 PolarHBondContact O-NZ 3Å | ||
| 31 | D | 98.6 | Very high | 98.6 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 157.8 | 174.9 | -59.7 | -44.8 | 0 | 0 | 0 | 110 | P5 K6 L7 | P5-D31 PolarHBondContact O-N 3.38Å; K6-D31 WeakPolarHBondContact CA-O 3.4Å; L7-D31 PolarHBondContact N-O 2.74Å |
| 32 | E | 98.7 | Very high | 98.5 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.8 | 179.8 | -60.1 | -172.7 | 90.8 | 0 | 0 | 110 | L7 R20 F30 F34 K203 K205 | L7-E32 HydrophobicContact CB-CG 4.37Å; R20-E32 IonicContact CZ-OE1 3.26Å; R20-E32 IonicContact NE-OE1 2.68Å; R20-E32 PolarHBondContact NE-OE1 3.34Å; R20-E32 IonicContact NH2-OE1 3.55Å; R20-E32 PolarHBondContact NH2-OE1 3.38Å; F30-E32 HydrophobicContact CD2-CG 4.02Å; F30-E32 HydrophobicContact CE2-CG 3.96Å; E32-F34 HydrophobicContact CB-CD1 4.32Å; E32-F34 HydrophobicContact CB-CE1 3.71Å; E32-F34 HydrophobicContact CB-CE2 4.48Å; E32-F34 HydrophobicContact CB-CZ 3.8Å; E32-F34 HydrophobicContact CG-CE1 4.3Å; E32-F34 HydrophobicContact CG-CZ 4.42Å; E32-F34 WeakPolarHBondContact OE1-CE1 3.46Å; E32-K203 HydrophobicContact CG-CD 4.43Å; E32-K205 IonicContact OE1-NZ 3.63Å; E32-K205 PolarHBondContact OE1-NZ 2.94Å; E32-K205 IonicContact OE2-NZ 3.8Å; E32-K205 PolarHBondContact OE2-NZ 2.91Å |
| 33 | E | 98.6 | Very high | 98.5 | Very high | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 103.9 | 171.9 | -170.3 | 170.9 | 135.5 | 0 | 0 | 107.3 | K6 L7 H8 | K6-E33 HydrophobicContact CD-CB 4Å; K6-E33 WeakPolarHBondContact CD-OE2 3.42Å; K6-E33 HydrophobicContact CG-CB 4.3Å; K6-E33 IonicContact NZ-OE2 2.82Å; K6-E33 PolarHBondContact NZ-OE2 2.82Å; L7-E33 PolarHBondContact O-N 3.48Å; H8-E33 IonicContact CE1-OE1 3.58Å; H8-E33 IonicContact CE1-OE2 2.77Å |
| 34 | F | 98.8 | Very high | 98.5 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 25% | 0.25 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 136.5 | -170 | -63.6 | -53.1 | 0 | 0 | 0 | 112.2 | Y9 N11 E32 E36 | Y9-F34 VanDerWaalsContact O-CA 3.28Å; Y9-F34 WeakPolarHBondContact O-CA 3.34Å; N11-F34 HydrophobicContact CB-CB 4.26Å; N11-F34 HydrophobicContact CB-CD1 3.7Å; N11-F34 HydrophobicContact CB-CD2 4.03Å; N11-F34 HydrophobicContact CB-CE1 4.01Å; N11-F34 HydrophobicContact CB-CE2 4.3Å; N11-F34 HydrophobicContact CB-CG 3.73Å; N11-F34 HydrophobicContact CB-CZ 4.3Å; E32-F34 HydrophobicContact CB-CD1 4.32Å; E32-F34 HydrophobicContact CB-CE1 3.71Å; E32-F34 HydrophobicContact CB-CE2 4.48Å; E32-F34 HydrophobicContact CB-CZ 3.8Å; E32-F34 HydrophobicContact CG-CE1 4.3Å; E32-F34 HydrophobicContact CG-CZ 4.42Å; E32-F34 WeakPolarHBondContact OE1-CE1 3.46Å; F34-E36 HydrophobicContact CB-CG 4.37Å |
| 35 | L | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 114.8 | 164.8 | -68.4 | 175.8 | 0 | 0 | 0 | 109.3 | Y9 P10 Q40 L41 L44 V55 I219 F220 | Y9-L35 PolarHBondContact O-N 2.55Å; P10-L35 WeakPolarHBondContact CA-O 3.39Å; P10-L35 HydrophobicContact CG-CB 4.28Å; L35-Q40 HydrophobicContact CD2-CB 3.85Å; L35-L41 HydrophobicContact CD1-CD1 4.26Å; L35-L44 HydrophobicContact CD2-CD1 3.87Å; L35-V55 HydrophobicContact CD1-CG1 3.92Å; L35-V55 HydrophobicContact CD1-CG2 4.05Å; L35-I219 HydrophobicContact CB-CD1 4.19Å; L35-I219 WeakPolarHBondContact O-CD1 3.24Å; L35-F220 HydrophobicContact CD1-CZ 4.45Å |
| 36 | E | 98.1 | Very high | 98.4 | Very high | 124 Ų | 124 | 64 Ų | 64 | 58% | 0.579 | 33% | 0.325 | S | S | * | . | trans | -113.4 | -27.9 | -179.9 | -62.8 | 176.2 | -159.8 | 0 | 0 | 111.5 | F34 | F34-E36 HydrophobicContact CB-CG 4.37Š| ||
| 37 | T | 98.4 | Very high | 98.4 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -131.9 | 160 | -177.9 | 89.8 | 0 | 0 | 0 | 0 | 113.4 | E39 Q40 L41 | T37-E39 VanDerWaalsContact C-N 3.29Å; T37-E39 WeakPolarHBondContact CB-OE2 3.39Å; T37-E39 PolarHBondContact O-N 3.08Å; T37-E39 PolarHBondContact OG1-N 3.24Å; T37-E39 PolarHBondContact OG1-OE2 2.86Å; T37-Q40 PolarHBondContact O-N 2.87Å; T37-Q40 PolarHBondContact OG1-N 2.96Å; T37-L41 PolarHBondContact O-N 2.9Å |
| 38 | K | 98.3 | Very high | 98.4 | Very high | 48 Ų | 48 | 68.8 Ų | 68.8 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.4 | -33.7 | 176.9 | -173.9 | 167.4 | -179 | 171.6 | 0 | 112 | Q40 L41 H42 K221 P222 | K38-Q40 VanDerWaalsContact C-N 3.33Å; K38-Q40 PolarHBondContact O-N 3.09Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.36Å; K38-H42 PolarHBondContact O-N 2.9Å; K38-K221 PolarHBondContact NZ-O 2.95Å; K38-P222 PolarHBondContact NZ-OXT 3.37Å |
| 39 | E | 98.3 | Very high | 98.4 | Very high | 130 Ų | 130 | 70.3 Ų | 70.3 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65 | -36.6 | 177.5 | -59.3 | 70.1 | -150.5 | 0 | 0 | 111.6 | T37 H42 K43 | T37-E39 VanDerWaalsContact C-N 3.29Å; T37-E39 WeakPolarHBondContact CB-OE2 3.39Å; T37-E39 PolarHBondContact O-N 3.08Å; T37-E39 PolarHBondContact OG1-N 3.24Å; T37-E39 PolarHBondContact OG1-OE2 2.86Å; E39-H42 PolarHBondContact O-N 2.88Å; E39-K43 WeakPolarHBondContact O-CB 3.32Å; E39-K43 PolarHBondContact O-N 2.92Å |
| 40 | Q | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 33% | 0.332 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 174.5 | -67.8 | 168.5 | -23.8 | 0 | 0 | 111.4 | L35 T37 K38 K43 L44 | L35-Q40 HydrophobicContact CD2-CB 3.85Å; T37-Q40 PolarHBondContact O-N 2.87Å; T37-Q40 PolarHBondContact OG1-N 2.96Å; K38-Q40 VanDerWaalsContact C-N 3.33Å; K38-Q40 PolarHBondContact O-N 3.09Å; Q40-K43 PolarHBondContact O-N 3.49Å; Q40-L44 PolarHBondContact O-N 3.19Å |
| 41 | L | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 173.2 | 175.3 | 63.8 | 0 | 0 | 0 | 110.9 | L35 T37 K38 K43 L44 Q45 L50 I219 F220 | L35-L41 HydrophobicContact CD1-CD1 4.26Å; T37-L41 PolarHBondContact O-N 2.9Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.36Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 3.34Å; L41-L44 PolarHBondContact O-N 3.46Å; L41-L44 VanDerWaalsContact O-N 3.12Å; L41-Q45 HydrophobicContact CD1-CG 4.32Å; L41-Q45 HydrophobicContact CG-CG 4.46Å; L41-Q45 WeakPolarHBondContact O-CG 3.37Å; L41-Q45 PolarHBondContact O-N 3.08Å; L41-L50 HydrophobicContact CD1-CD1 3.91Å; L41-I219 HydrophobicContact CB-CG2 4.03Å; L41-I219 HydrophobicContact CD2-CG2 3.9Å; L41-F220 HydrophobicContact CD1-CE1 4.18Å; L41-F220 HydrophobicContact CD2-CD1 3.64Å; L41-F220 HydrophobicContact CD2-CE1 3.67Å |
| 42 | H | 98.4 | Very high | 98.4 | Very high | 78 Ų | 78 | 73.6 Ų | 73.6 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 177.1 | -70.3 | 179.7 | 0 | 0 | 0 | 111.4 | K38 E39 L44 Q45 D46 | K38-H42 PolarHBondContact O-N 2.9Å; E39-H42 PolarHBondContact O-N 2.88Å; H42-L44 VanDerWaalsContact C-N 3.31Å; H42-L44 PolarHBondContact O-N 2.92Å; H42-Q45 PolarHBondContact CD2-OE1 2.96Å; H42-Q45 CarbonylContact O-C 3.5Å; H42-Q45 WeakPolarHBondContact O-CB 3.49Å; H42-Q45 PolarHBondContact O-N 3.16Å; H42-D46 WeakPolarHBondContact O-CB 3.25Å; H42-D46 VanDerWaalsContact O-CG 3.23Å; H42-D46 PolarHBondContact O-N 3.33Å |
| 43 | K | 98.4 | Very high | 98.4 | Very high | 164 Ų | 164 | 78.2 Ų | 78.2 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.9 | -39.9 | 176.2 | -170.5 | -177.7 | 179 | -175.2 | 0 | 112.7 | E39 Q40 L41 G47 | E39-K43 WeakPolarHBondContact O-CB 3.32Å; E39-K43 PolarHBondContact O-N 2.92Å; Q40-K43 PolarHBondContact O-N 3.49Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 3.34Å; K43-G47 PolarHBondContact O-N 3.38Å |
| 44 | L | 98.4 | Very high | 98.4 | Very high | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.073 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69 | -37.8 | 174.6 | -68.3 | 179.5 | 0 | 0 | 0 | 112.1 | H8 L35 Q40 L41 H42 H49 L50 | H8-L44 HydrophobicContact CB-CD1 4.31Å; L35-L44 HydrophobicContact CD2-CD1 3.87Å; Q40-L44 PolarHBondContact O-N 3.19Å; L41-L44 PolarHBondContact O-N 3.46Å; L41-L44 VanDerWaalsContact O-N 3.12Å; H42-L44 VanDerWaalsContact C-N 3.31Å; H42-L44 PolarHBondContact O-N 2.92Å; L44-H49 HydrophobicContact CB-CB 4.43Å; L44-H49 HydrophobicContact CD2-CB 4.14Å; L44-H49 WeakPolarHBondContact O-CB 3.41Å; L44-H49 PolarHBondContact O-N 3.47Å; L44-L50 HydrophobicContact CB-CD1 3.95Å; L44-L50 HydrophobicContact CB-CD2 4.34Å; L44-L50 HydrophobicContact CB-CG 3.91Å; L44-L50 HydrophobicContact CD1-CD2 4.46Å |
| 45 | Q | 98.4 | Very high | 98.4 | Very high | 49 Ų | 49 | 77.8 Ų | 77.8 | 23% | 0.229 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.4 | -54.7 | 177.5 | -68.8 | 171.5 | -30.9 | 0 | 0 | 111.4 | L41 H42 G47 N48 L50 Q53 | L41-Q45 HydrophobicContact CD1-CG 4.32Å; L41-Q45 HydrophobicContact CG-CG 4.46Å; L41-Q45 WeakPolarHBondContact O-CG 3.37Å; L41-Q45 PolarHBondContact O-N 3.08Å; H42-Q45 PolarHBondContact CD2-OE1 2.96Å; H42-Q45 CarbonylContact O-C 3.5Å; H42-Q45 WeakPolarHBondContact O-CB 3.49Å; H42-Q45 PolarHBondContact O-N 3.16Å; Q45-G47 VanDerWaalsContact C-N 3.27Å; Q45-G47 PolarHBondContact O-N 2.94Å; Q45-N48 PolarHBondContact O-N 2.68Å; Q45-L50 HydrophobicContact CG-CD1 3.86Å; Q45-Q53 HydrophobicContact CG-CB 4.27Å; Q45-Q53 PolarHBondContact NE2-O 3.13Å |
| 46 | D | 98.3 | Very high | 98.4 | Very high | 127 Ų | 127 | 77.7 Ų | 77.7 | 68% | 0.679 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.5 | -32.8 | -178.9 | -64.3 | -20.6 | 0 | 0 | 0 | 112.1 | H42 N48 | H42-D46 WeakPolarHBondContact O-CB 3.25Å; H42-D46 VanDerWaalsContact O-CG 3.23Å; H42-D46 PolarHBondContact O-N 3.33Å; D46-N48 PolarHBondContact O-N 2.96Å |
| 47 | G | 98.1 | Very high | 98.5 | Very high | 37 Ų | 37 | 71.8 Ų | 71.8 | 38% | 0.381 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 5.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K43 Q45 H49 | K43-G47 PolarHBondContact O-N 3.38Å; Q45-G47 VanDerWaalsContact C-N 3.27Å; Q45-G47 PolarHBondContact O-N 2.94Å; G47-H49 VanDerWaalsContact C-CD2 3.5Å; G47-H49 PolarHBondContact O-CD2 2.8Å; G47-H49 VanDerWaalsContact O-CD2 3.24Å; G47-H49 PolarHBondContact O-N 2.69Å |
| 48 | N | 97.9 | Very high | 98.5 | Very high | 140 Ų | 140 | 69.4 Ų | 69.4 | 75% | 0.749 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 32.2 | -177.1 | -59.3 | -62.8 | 0 | 0 | 0 | 113.4 | Q45 D46 | Q45-N48 PolarHBondContact O-N 2.68Å; D46-N48 PolarHBondContact O-N 2.96Å |
| 49 | H | 98.4 | Very high | 98.5 | Very high | 61 Ų | 61 | 70 Ų | 70 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | trans | -79.8 | -25 | 174.9 | -63.8 | -102.4 | 0 | 0 | 0 | 112 | L44 G47 M57 K64 | L44-H49 HydrophobicContact CB-CB 4.43Å; L44-H49 HydrophobicContact CD2-CB 4.14Å; L44-H49 WeakPolarHBondContact O-CB 3.41Å; L44-H49 PolarHBondContact O-N 3.47Å; G47-H49 VanDerWaalsContact C-CD2 3.5Å; G47-H49 PolarHBondContact O-CD2 2.8Å; G47-H49 VanDerWaalsContact O-CD2 3.24Å; G47-H49 PolarHBondContact O-N 2.69Å; H49-M57 HydrophobicContact CB-CE 4.22Å; H49-K64 HydrophobicContact CB-CD 4.27Å; H49-K64 PolarHBondContact CE1-NZ 3.39Å; H49-K64 VanDerWaalsContact CE1-NZ 3.34Å; H49-K64 WeakPolarHBondContact ND1-CE 3.43Å; H49-K64 PolarHBondContact ND1-NZ 2.83Å | ||
| 50 | L | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -106.7 | 102.9 | -177.6 | -53.3 | -175.8 | 0 | 0 | 0 | 110.1 | L41 L44 Q45 F52 Q53 V55 M57 | L41-L50 HydrophobicContact CD1-CD1 3.91Å; L44-L50 HydrophobicContact CB-CD1 3.95Å; L44-L50 HydrophobicContact CB-CD2 4.34Å; L44-L50 HydrophobicContact CB-CG 3.91Å; L44-L50 HydrophobicContact CD1-CD2 4.46Å; Q45-L50 HydrophobicContact CG-CD1 3.86Å; L50-F52 PolarHBondContact O-N 2.82Å; L50-F52 VanDerWaalsContact O-N 3.09Å; L50-Q53 PolarHBondContact O-N 3.46Å; L50-V55 HydrophobicContact CD1-CG1 4.13Å; L50-V55 HydrophobicContact CD2-CG1 3.96Å; L50-M57 HydrophobicContact CD2-CB 3.55Å; L50-M57 HydrophobicContact CD2-CE 4.06Å; L50-M57 HydrophobicContact CD2-CG 3.8Å |
| 51 | L | 98.6 | Very high | 98.4 | Very high | 124 Ų | 124 | 63.3 Ų | 63.3 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -38.2 | -175 | 179.7 | 64.1 | 0 | 0 | 0 | 113.7 | V66 | L51-V66 HydrophobicContact CB-CG1 4.48Å; L51-V66 HydrophobicContact CB-CG2 3.75Å; L51-V66 HydrophobicContact CD2-CG2 4.19Å; L51-V66 HydrophobicContact CG-CG2 4.49Å |
| 52 | F | 98.6 | Very high | 98.3 | Very high | 120 Ų | 120 | 67 Ų | 67 | 53% | 0.526 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 30.5 | 176.7 | -55.4 | -60.2 | 0 | 0 | 0 | 112.2 | L50 Q54 V66 Q67 | L50-F52 PolarHBondContact O-N 2.82Å; L50-F52 VanDerWaalsContact O-N 3.09Å; F52-Q54 WeakPolarHBondContact O-CG 3.38Å; F52-Q54 PolarHBondContact O-N 2.63Å; F52-V66 HydrophobicContact CD2-CG2 3.94Å; F52-V66 HydrophobicContact CE2-CG2 4.37Å; F52-Q67 HydrophobicContact CD2-CG 4.5Å |
| 53 | Q | 98.4 | Very high | 98.3 | Very high | 139 Ų | 139 | 66.7 Ų | 66.7 | 65% | 0.65 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 61.4 | 13.4 | 176.6 | -54.4 | 174.2 | -29.4 | 0 | 0 | 115.1 | Q45 L50 | Q45-Q53 HydrophobicContact CG-CB 4.27Å; Q45-Q53 PolarHBondContact NE2-O 3.13Å; L50-Q53 PolarHBondContact O-N 3.46Å |
| 54 | Q | 98.6 | Very high | 98.3 | Very high | 115 Ų | 115 | 63.2 Ų | 63.2 | 54% | 0.537 | 34% | 0.342 | S | S | . | . | trans | -123.7 | 153.1 | -173.2 | -68.9 | 172.1 | -55.2 | 0 | 0 | 112 | F52 | F52-Q54 WeakPolarHBondContact O-CG 3.38Å; F52-Q54 PolarHBondContact O-N 2.63Å | ||
| 55 | V | 98.8 | Very high | 98.3 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -107.9 | 155.2 | 162.4 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | Y9 L35 L50 M57 F220 | Y9-V55 HydrophobicContact CD2-CB 4.01Å; Y9-V55 HydrophobicContact CD2-CG2 3.8Å; Y9-V55 HydrophobicContact CE2-CB 4.4Å; Y9-V55 HydrophobicContact CE2-CG2 3.93Å; L35-V55 HydrophobicContact CD1-CG1 3.92Å; L35-V55 HydrophobicContact CD1-CG2 4.05Å; L50-V55 HydrophobicContact CD1-CG1 4.13Å; L50-V55 HydrophobicContact CD2-CG1 3.96Å; V55-M57 HydrophobicContact CG1-CB 4.32Å; V55-F220 HydrophobicContact CG2-CE1 3.97Å; V55-F220 HydrophobicContact CG2-CZ 3.72Å |
| 56 | P | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.032 | 34% | 0.34 | C | S | . | . | cis | -61.2 | 136 | 10.8 | -30.6 | 41.1 | 0 | 0 | 0 | 116 | Y9 R15 M16 T68 I71 | Y9-P56 HydrophobicContact CD2-CB 4.43Å; Y9-P56 HydrophobicContact CD2-CG 4.05Å; Y9-P56 HydrophobicContact CE2-CG 3.74Å; R15-P56 HydrophobicContact CB-CG 3.67Å; M16-P56 HydrophobicContact CB-CG 4.48Å; M16-P56 HydrophobicContact CE-CB 3.52Å; M16-P56 HydrophobicContact CE-CG 4.41Å; M16-P56 HydrophobicContact SD-CB 4.07Å; P56-T68 WeakPolarHBondContact CG-OG1 3.15Å; P56-I71 HydrophobicContact CB-CD1 4.13Å | ||
| 57 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.6 | 166 | -173.1 | -85.4 | -76.6 | 0 | 0 | 109.9 | H8 M16 H49 L50 V55 E59 K64 L65 V66 | H8-M57 HydrophobicContact CB-CB 4.31Å; H8-M57 HydrophobicContact CB-CE 4.03Å; H8-M57 WeakPolarHBondContact CD2-CE 3.37Å; H8-M57 PolarHBondContact N-O 3.07Å; M16-M57 WeakPolarHBondContact CE-O 3.44Å; H49-M57 HydrophobicContact CB-CE 4.22Å; L50-M57 HydrophobicContact CD2-CB 3.55Å; L50-M57 HydrophobicContact CD2-CE 4.06Å; L50-M57 HydrophobicContact CD2-CG 3.8Å; V55-M57 HydrophobicContact CG1-CB 4.32Å; M57-E59 HydrophobicContact CE-CG 4.39Å; M57-E59 HydrophobicContact SD-CG 3.95Å; M57-K64 HydrophobicContact SD-CB 4.14Å; M57-K64 HydrophobicContact SD-CG 4.47Å; M57-L65 CarbonylContact C-O 3.54Å; M57-L65 VanDerWaalsContact CA-O 3.25Å; M57-L65 WeakPolarHBondContact CA-O 3.39Å; M57-L65 WeakPolarHBondContact CG-O 3.47Å; M57-V66 HydrophobicContact CB-CG1 4Å; M57-V66 HydrophobicContact CG-CG1 3.79Å |
| 58 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123.8 | 179.4 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | P5 K6 L7 M16 V19 I60 L65 I71 | P5-V58 HydrophobicContact CB-CG1 4.3Å; K6-V58 WeakPolarHBondContact O-CA 3.26Å; L7-V58 HydrophobicContact CD1-CG1 4.07Å; L7-V58 HydrophobicContact CD1-CG2 4.21Å; L7-V58 HydrophobicContact CG-CG2 4.02Å; M16-V58 HydrophobicContact CE-CG2 4.02Å; M16-V58 HydrophobicContact SD-CG2 4.08Å; V19-V58 HydrophobicContact CG1-CG2 4.06Å; V58-I60 HydrophobicContact CG1-CB 4.08Å; V58-I60 HydrophobicContact CG1-CG2 4.09Å; V58-L65 PolarHBondContact N-O 2.63Å; V58-L65 PolarHBondContact O-N 3.26Å; V58-I71 HydrophobicContact CB-CG2 4.29Å; V58-I71 HydrophobicContact CG2-CD1 4.11Å; V58-I71 HydrophobicContact CG2-CG2 3.89Å |
| 59 | E | 98.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 116.5 | 166.4 | -58.3 | -174 | -117.1 | 0 | 0 | 108.6 | P5 K6 H8 M57 M63 K64 | P5-E59 CarbonylContact C-O 3.49Å; P5-E59 WeakPolarHBondContact CA-O 3.4Å; K6-E59 HydrophobicContact CB-CB 4.18Å; K6-E59 PolarHBondContact N-O 3.4Å; K6-E59 PolarHBondContact O-N 3.44Å; H8-E59 IonicContact CD2-OE1 2.83Å; H8-E59 IonicContact CE1-OE1 3.51Å; H8-E59 IonicContact NE2-OE1 3.71Å; H8-E59 PolarHBondContact NE2-OE1 3.03Å; M57-E59 HydrophobicContact CE-CG 4.39Å; M57-E59 HydrophobicContact SD-CG 3.95Å; E59-M63 CarbonylContact C-O 3.57Å; E59-M63 VanDerWaalsContact CA-O 3.26Å; E59-M63 WeakPolarHBondContact CA-O 3.45Å; E59-K64 HydrophobicContact CG-CG 4.28Å |
| 60 | I | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 134.5 | -179.9 | -173.4 | 169.2 | 0 | 0 | 0 | 109.9 | P5 V58 G62 M63 L65 Y74 I75 | P5-I60 HydrophobicContact CB-CB 4.42Å; P5-I60 HydrophobicContact CB-CD1 4.27Å; P5-I60 HydrophobicContact CB-CG1 4.4Å; P5-I60 HydrophobicContact CG-CD1 3.82Å; P5-I60 HydrophobicContact CG-CG1 4.08Å; V58-I60 HydrophobicContact CG1-CB 4.08Å; V58-I60 HydrophobicContact CG1-CG2 4.09Å; I60-G62 PolarHBondContact O-N 3.27Å; I60-G62 VanDerWaalsContact O-N 3.15Å; I60-M63 PolarHBondContact N-O 3.03Å; I60-M63 WeakPolarHBondContact O-CB 3.41Å; I60-M63 PolarHBondContact O-N 3.35Å; I60-L65 HydrophobicContact CG2-CD1 3.62Å; I60-L65 HydrophobicContact CG2-CG 4.05Å; I60-Y74 HydrophobicContact CD1-CD1 4.41Å; I60-Y74 HydrophobicContact CD1-CE1 4.04Å; I60-Y74 HydrophobicContact CG1-CE1 4.21Å; I60-Y74 HydrophobicContact CG2-CD1 4.17Å; I60-Y74 HydrophobicContact CG2-CE1 3.96Å; I60-I75 HydrophobicContact CD1-CG1 4.43Å |
| 61 | D | 96.9 | Very high | 98.5 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36.1 | 179.8 | -54.6 | -44.6 | 0 | 0 | 0 | 114.7 | M63 Y74 K78 | D61-M63 HydrophobicContact CB-CE 4.14Å; D61-M63 PolarHBondContact O-N 3.46Å; D61-Y74 WeakPolarHBondContact OD2-CE1 3.25Å; D61-Y74 PolarHBondContact OD2-OH 2.9Å; D61-K78 IonicContact OD1-NZ 2.7Å; D61-K78 PolarHBondContact OD1-NZ 2.89Å; D61-K78 VanDerWaalsContact OD2-CE 3.3Å; D61-K78 WeakPolarHBondContact OD2-CE 3.41Å; D61-K78 IonicContact OD2-NZ 2.65Å; D61-K78 PolarHBondContact OD2-NZ 3.48Å |
| 62 | G | 96.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 90% | 0.897 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 3.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I60 | I60-G62 PolarHBondContact O-N 3.27Å; I60-G62 VanDerWaalsContact O-N 3.15Å |
| 63 | M | 98.2 | Very high | 98.6 | Very high | 70 Ų | 70 | 47.9 Ų | 47.9 | 35% | 0.345 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 154.8 | 174.9 | -58.5 | 177.6 | -74.5 | 0 | 0 | 111.3 | E59 I60 D61 L65 Y74 | E59-M63 CarbonylContact C-O 3.57Å; E59-M63 VanDerWaalsContact CA-O 3.26Å; E59-M63 WeakPolarHBondContact CA-O 3.45Å; I60-M63 PolarHBondContact N-O 3.03Å; I60-M63 WeakPolarHBondContact O-CB 3.41Å; I60-M63 PolarHBondContact O-N 3.35Å; D61-M63 HydrophobicContact CB-CE 4.14Å; D61-M63 PolarHBondContact O-N 3.46Å; M63-L65 HydrophobicContact CB-CD2 3.85Å; M63-L65 HydrophobicContact CB-CG 4.14Å; M63-L65 HydrophobicContact CE-CD1 4.47Å; M63-L65 HydrophobicContact CE-CD2 4.37Å; M63-L65 HydrophobicContact SD-CD2 4.01Å; M63-Y74 HydrophobicContact CE-CD2 4.19Å; M63-Y74 HydrophobicContact CE-CE1 3.88Å; M63-Y74 HydrophobicContact CE-CE2 3.4Å; M63-Y74 VanDerWaalsContact CE-CE2 3.4Å; M63-Y74 WeakPolarHBondContact CE-OH 3.45Å |
| 64 | K | 98.5 | Very high | 98.6 | Very high | 91 Ų | 91 | 44.6 Ų | 44.6 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 84.9 | 169.4 | -65 | 176.2 | -175.8 | 168.9 | 0 | 108.6 | H49 M57 E59 | H49-K64 HydrophobicContact CB-CD 4.27Å; H49-K64 PolarHBondContact CE1-NZ 3.39Å; H49-K64 VanDerWaalsContact CE1-NZ 3.34Å; H49-K64 WeakPolarHBondContact ND1-CE 3.43Å; H49-K64 PolarHBondContact ND1-NZ 2.83Å; M57-K64 HydrophobicContact SD-CB 4.14Å; M57-K64 HydrophobicContact SD-CG 4.47Å; E59-K64 HydrophobicContact CG-CG 4.28Å |
| 65 | L | 98.9 | Very high | 98.6 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135.3 | -175.4 | -58.6 | -175.8 | 0 | 0 | 0 | 110.5 | M57 V58 I60 M63 I71 Y74 | M57-L65 CarbonylContact C-O 3.54Å; M57-L65 VanDerWaalsContact CA-O 3.25Å; M57-L65 WeakPolarHBondContact CA-O 3.39Å; M57-L65 WeakPolarHBondContact CG-O 3.47Å; V58-L65 PolarHBondContact N-O 2.63Å; V58-L65 PolarHBondContact O-N 3.26Å; I60-L65 HydrophobicContact CG2-CD1 3.62Å; I60-L65 HydrophobicContact CG2-CG 4.05Å; M63-L65 HydrophobicContact CB-CD2 3.85Å; M63-L65 HydrophobicContact CB-CG 4.14Å; M63-L65 HydrophobicContact CE-CD1 4.47Å; M63-L65 HydrophobicContact CE-CD2 4.37Å; M63-L65 HydrophobicContact SD-CD2 4.01Å; L65-I71 HydrophobicContact CB-CG1 3.78Å; L65-Y74 HydrophobicContact CD1-CD1 3.58Å; L65-Y74 HydrophobicContact CD1-CD2 4.34Å; L65-Y74 HydrophobicContact CD1-CE1 4.24Å; L65-Y74 HydrophobicContact CD1-CG 3.64Å |
| 66 | V | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 176.3 | 170.6 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | L51 F52 M57 | L51-V66 HydrophobicContact CB-CG1 4.48Å; L51-V66 HydrophobicContact CB-CG2 3.75Å; L51-V66 HydrophobicContact CD2-CG2 4.19Å; L51-V66 HydrophobicContact CG-CG2 4.49Å; F52-V66 HydrophobicContact CD2-CG2 3.94Å; F52-V66 HydrophobicContact CE2-CG2 4.37Å; M57-V66 HydrophobicContact CB-CG1 4Å; M57-V66 HydrophobicContact CG-CG1 3.79Å |
| 67 | Q | 98.8 | Very high | 98.6 | Very high | 91 Ų | 91 | 41.5 Ų | 41.5 | 43% | 0.425 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 67.2 | 110.7 | -173.6 | -58.1 | -68.3 | 88.8 | 0 | 0 | 112.3 | F52 R69 S70 I71 | F52-Q67 HydrophobicContact CD2-CG 4.5Å; Q67-R69 VanDerWaalsContact C-N 3.28Å; Q67-R69 PolarHBondContact O-N 3.34Å; Q67-R69 VanDerWaalsContact O-N 3.13Å; Q67-S70 PolarHBondContact O-N 2.84Å; Q67-I71 WeakPolarHBondContact O-CG1 3.43Å; Q67-I71 PolarHBondContact O-N 3.45Å |
| 68 | T | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 13% | 0.129 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -47.8 | -49.2 | -175.9 | -49.2 | 0 | 0 | 0 | 0 | 112.5 | R15 V19 P56 S70 I71 L72 | R15-T68 WeakPolarHBondContact O-CG2 3.33Å; V19-T68 HydrophobicContact CG2-CG2 4.48Å; P56-T68 WeakPolarHBondContact CG-OG1 3.15Å; T68-S70 PolarHBondContact O-N 3.14Å; T68-I71 PolarHBondContact O-N 2.9Å; T68-L72 HydrophobicContact CG2-CD1 4.02Å; T68-L72 HydrophobicContact CG2-CG 4.34Å; T68-L72 VanDerWaalsContact O-CG 3.23Å; T68-L72 WeakPolarHBondContact O-CG 3.3Å; T68-L72 PolarHBondContact O-N 2.88Å |
| 69 | R | 98.8 | Very high | 98.5 | Very high | 86 Ų | 86 | 48.1 Ų | 48.1 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | -178.8 | -71 | 162.7 | 162.7 | 84 | -0.5 | 112.6 | Q67 I71 L72 H73 E97 L100 | Q67-R69 VanDerWaalsContact C-N 3.28Å; Q67-R69 PolarHBondContact O-N 3.34Å; Q67-R69 VanDerWaalsContact O-N 3.13Å; R69-I71 VanDerWaalsContact C-N 3.35Å; R69-I71 PolarHBondContact O-N 3.49Å; R69-L72 PolarHBondContact O-N 3.47Å; R69-H73 PolarHBondContact O-N 3.41Å; R69-H73 PolarHBondContact O-ND1 3.36Å; R69-E97 VanDerWaalsContact CD-OE1 3.23Å; R69-E97 WeakPolarHBondContact CD-OE1 3.27Å; R69-E97 WeakPolarHBondContact CG-OE1 3.27Å; R69-E97 IonicContact CZ-OE1 2.9Å; R69-E97 IonicContact CZ-OE2 2.93Å; R69-E97 VanDerWaalsContact CZ-OE2 3.29Å; R69-E97 IonicContact NE-OE1 2.75Å; R69-E97 PolarHBondContact NE-OE1 2.93Å; R69-E97 IonicContact NE-OE2 3.29Å; R69-E97 PolarHBondContact NE-OE2 3.5Å; R69-E97 IonicContact NH2-OE2 3.6Å; R69-E97 PolarHBondContact NH2-OE2 3.19Å; R69-L100 HydrophobicContact CG-CD1 3.88Å |
| 70 | S | 98.9 | Very high | 98.5 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 49% | 0.49 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | Q67 T68 H73 Y74 | Q67-S70 PolarHBondContact O-N 2.84Å; T68-S70 PolarHBondContact O-N 3.14Å; S70-H73 PolarHBondContact O-N 3.49Å; S70-Y74 WeakPolarHBondContact O-CB 3.17Å; S70-Y74 PolarHBondContact O-N 3.02Å |
| 71 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 174.8 | -63.7 | 161.4 | 0 | 0 | 0 | 110.4 | V19 P56 V58 L65 Q67 T68 R69 H73 Y74 I75 | V19-I71 HydrophobicContact CG1-CG2 3.91Å; V19-I71 HydrophobicContact CG2-CB 4.46Å; V19-I71 HydrophobicContact CG2-CG2 3.81Å; P56-I71 HydrophobicContact CB-CD1 4.13Å; V58-I71 HydrophobicContact CB-CG2 4.29Å; V58-I71 HydrophobicContact CG2-CD1 4.11Å; V58-I71 HydrophobicContact CG2-CG2 3.89Å; L65-I71 HydrophobicContact CB-CG1 3.78Å; Q67-I71 WeakPolarHBondContact O-CG1 3.43Å; Q67-I71 PolarHBondContact O-N 3.45Å; T68-I71 PolarHBondContact O-N 2.9Å; R69-I71 VanDerWaalsContact C-N 3.35Å; R69-I71 PolarHBondContact O-N 3.49Å; I71-H73 PolarHBondContact O-N 3.25Å; I71-Y74 PolarHBondContact O-N 3.26Å; I71-I75 HydrophobicContact CG2-CD1 3.74Å; I71-I75 VanDerWaalsContact O-CG1 3.3Å; I71-I75 WeakPolarHBondContact O-CG1 3.48Å; I71-I75 PolarHBondContact O-N 3.49Å; I71-I75 VanDerWaalsContact O-N 3.08Å |
| 72 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 178.7 | -67.7 | 172.6 | 0 | 0 | 0 | 111.6 | V19 V22 T68 R69 I75 A76 L100 L155 I159 | V19-L72 HydrophobicContact CG2-CD2 4.18Å; V22-L72 HydrophobicContact CB-CD2 4.35Å; V22-L72 HydrophobicContact CG2-CD2 3.78Å; T68-L72 HydrophobicContact CG2-CD1 4.02Å; T68-L72 HydrophobicContact CG2-CG 4.34Å; T68-L72 VanDerWaalsContact O-CG 3.23Å; T68-L72 WeakPolarHBondContact O-CG 3.3Å; T68-L72 PolarHBondContact O-N 2.88Å; R69-L72 PolarHBondContact O-N 3.47Å; L72-I75 PolarHBondContact O-N 3.48Å; L72-A76 VanDerWaalsContact O-CB 3.28Å; L72-A76 WeakPolarHBondContact O-CB 3.26Å; L72-A76 PolarHBondContact O-N 3Å; L72-L100 HydrophobicContact CD1-CD1 4.38Å; L72-L155 HydrophobicContact CB-CD1 4.24Å; L72-L155 HydrophobicContact CB-CD2 4.11Å; L72-L155 HydrophobicContact CD2-CD1 4.35Å; L72-I159 HydrophobicContact CD1-CD1 4.21Å; L72-I159 HydrophobicContact CD2-CD1 4.31Å |
| 73 | H | 98.9 | Very high | 98.7 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 19% | 0.185 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 177.5 | -66.9 | 166.2 | 0 | 0 | 0 | 112.2 | R69 S70 I71 I75 A76 D77 F82 | R69-H73 PolarHBondContact O-N 3.41Å; R69-H73 PolarHBondContact O-ND1 3.36Å; S70-H73 PolarHBondContact O-N 3.49Å; I71-H73 PolarHBondContact O-N 3.25Å; H73-I75 PolarHBondContact O-N 3.08Å; H73-A76 PolarHBondContact O-N 3.26Å; H73-D77 WeakPolarHBondContact O-CB 3.5Å; H73-D77 PolarHBondContact O-N 3.04Å; H73-F82 HydrophobicContact CB-CE2 3.91Å; H73-F82 AromaticContact CD2-CE2 3.38Å; H73-F82 WeakPolarHBondContact CD2-CE2 3.42Å; H73-F82 AromaticContact CD2-CZ 3.6Å; H73-F82 AromaticContact CG-CE2 3.67Å; H73-F82 AromaticContact NE2-CZ 3.81Å |
| 74 | Y | 98.9 | Very high | 98.7 | Very high | 71 Ų | 71 | 50 Ų | 50 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 177.8 | 179.2 | -97.7 | 0 | 0 | 0 | 112.1 | I60 D61 M63 L65 S70 I71 A76 D77 K78 | I60-Y74 HydrophobicContact CD1-CD1 4.41Å; I60-Y74 HydrophobicContact CD1-CE1 4.04Å; I60-Y74 HydrophobicContact CG1-CE1 4.21Å; I60-Y74 HydrophobicContact CG2-CD1 4.17Å; I60-Y74 HydrophobicContact CG2-CE1 3.96Å; D61-Y74 WeakPolarHBondContact OD2-CE1 3.25Å; D61-Y74 PolarHBondContact OD2-OH 2.9Å; M63-Y74 HydrophobicContact CE-CD2 4.19Å; M63-Y74 HydrophobicContact CE-CE1 3.88Å; M63-Y74 HydrophobicContact CE-CE2 3.4Å; M63-Y74 VanDerWaalsContact CE-CE2 3.4Å; M63-Y74 WeakPolarHBondContact CE-OH 3.45Å; L65-Y74 HydrophobicContact CD1-CD1 3.58Å; L65-Y74 HydrophobicContact CD1-CD2 4.34Å; L65-Y74 HydrophobicContact CD1-CE1 4.24Å; L65-Y74 HydrophobicContact CD1-CG 3.64Å; S70-Y74 WeakPolarHBondContact O-CB 3.17Å; S70-Y74 PolarHBondContact O-N 3.02Å; I71-Y74 PolarHBondContact O-N 3.26Å; Y74-A76 VanDerWaalsContact C-N 3.33Å; Y74-A76 PolarHBondContact O-N 3.45Å; Y74-D77 PolarHBondContact O-N 3.13Å; Y74-K78 HydrophobicContact CE1-CD 4.23Å; Y74-K78 WeakPolarHBondContact O-CB 3.28Å; Y74-K78 PolarHBondContact O-N 3.43Å |
| 75 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 178.3 | -61.4 | 163.6 | 0 | 0 | 0 | 110 | V19 V22 L23 I60 I71 L72 H73 D77 K78 H79 | V19-I75 HydrophobicContact CG1-CD1 3.85Å; V22-I75 HydrophobicContact CG1-CB 4.26Å; V22-I75 HydrophobicContact CG1-CG2 3.64Å; L23-I75 HydrophobicContact CD2-CD1 3.91Å; L23-I75 HydrophobicContact CD2-CG1 4.26Å; L23-I75 HydrophobicContact CD2-CG2 3.98Å; L23-I75 HydrophobicContact CG-CD1 4.03Å; I60-I75 HydrophobicContact CD1-CG1 4.43Å; I71-I75 HydrophobicContact CG2-CD1 3.74Å; I71-I75 VanDerWaalsContact O-CG1 3.3Å; I71-I75 WeakPolarHBondContact O-CG1 3.48Å; I71-I75 PolarHBondContact O-N 3.49Å; I71-I75 VanDerWaalsContact O-N 3.08Å; L72-I75 PolarHBondContact O-N 3.48Å; H73-I75 PolarHBondContact O-N 3.08Å; I75-D77 PolarHBondContact O-N 3.02Å; I75-K78 PolarHBondContact O-N 2.9Å; I75-H79 WeakPolarHBondContact O-CB 3.35Å; I75-H79 PolarHBondContact O-CD2 3.34Å; I75-H79 VanDerWaalsContact O-CD2 3.24Å; I75-H79 PolarHBondContact O-N 2.99Å; I75-H79 VanDerWaalsContact O-N 3.08Å |
| 76 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 H73 Y74 H79 N80 L81 F82 L155 | L72-A76 VanDerWaalsContact O-CB 3.28Å; L72-A76 WeakPolarHBondContact O-CB 3.26Å; L72-A76 PolarHBondContact O-N 3Å; H73-A76 PolarHBondContact O-N 3.26Å; Y74-A76 VanDerWaalsContact C-N 3.33Å; Y74-A76 PolarHBondContact O-N 3.45Å; A76-H79 PolarHBondContact O-N 3.49Å; A76-N80 PolarHBondContact O-N 3.1Å; A76-N80 VanDerWaalsContact O-N 3.14Å; A76-L81 HydrophobicContact CB-CB 4.03Å; A76-L81 PolarHBondContact O-N 3.46Å; A76-F82 HydrophobicContact CB-CB 4.07Å; A76-F82 HydrophobicContact CB-CD2 4.04Å; A76-F82 HydrophobicContact CB-CG 4.24Å; A76-L155 HydrophobicContact CB-CB 4.03Å; A76-L155 HydrophobicContact CB-CD2 4.02Å; A76-L155 HydrophobicContact CB-CG 4.44Å |
| 77 | D | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 61.7 Ų | 61.7 | 40% | 0.401 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 176 | -80 | -31 | 0 | 0 | 0 | 111.9 | H73 Y74 I75 H79 F82 R89 | H73-D77 WeakPolarHBondContact O-CB 3.5Å; H73-D77 PolarHBondContact O-N 3.04Å; Y74-D77 PolarHBondContact O-N 3.13Å; I75-D77 PolarHBondContact O-N 3.02Å; D77-H79 PolarHBondContact O-N 3.33Å; D77-F82 WeakPolarHBondContact OD1-CB 3.48Å; D77-R89 VanDerWaalsContact CG-NH1 3.34Å; D77-R89 IonicContact OD1-CZ 3.44Å; D77-R89 IonicContact OD1-NH1 3.83Å; D77-R89 PolarHBondContact OD1-NH1 3.32Å; D77-R89 IonicContact OD1-NH2 3.31Å; D77-R89 IonicContact OD2-CZ 3.63Å; D77-R89 IonicContact OD2-NH1 2.77Å; D77-R89 PolarHBondContact OD2-NH1 2.99Å; D77-R89 IonicContact OD2-NH2 2.63Å; D77-R89 PolarHBondContact OD2-NH2 3.49Å |
| 78 | K | 98.3 | Very high | 98.7 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -29.4 | 179.4 | -170.7 | 179.3 | -176.3 | -173.2 | 0 | 113.3 | D61 Y74 I75 | D61-K78 IonicContact OD1-NZ 2.7Å; D61-K78 PolarHBondContact OD1-NZ 2.89Å; D61-K78 VanDerWaalsContact OD2-CE 3.3Å; D61-K78 WeakPolarHBondContact OD2-CE 3.41Å; D61-K78 IonicContact OD2-NZ 2.65Å; D61-K78 PolarHBondContact OD2-NZ 3.48Å; Y74-K78 HydrophobicContact CE1-CD 4.23Å; Y74-K78 WeakPolarHBondContact O-CB 3.28Å; Y74-K78 PolarHBondContact O-N 3.43Å; I75-K78 PolarHBondContact O-N 2.9Å |
| 79 | H | 98.4 | Very high | 98.7 | Very high | 52 Ų | 52 | 61.9 Ų | 61.9 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 18.9 | -171.7 | -66.1 | -76.9 | 0 | 0 | 0 | 114.1 | A26 V28 I75 A76 D77 L81 | A26-H79 HydrophobicContact CB-CB 3.87Å; V28-H79 WeakPolarHBondContact CG2-CE1 3.4Å; I75-H79 WeakPolarHBondContact O-CB 3.35Å; I75-H79 PolarHBondContact O-CD2 3.34Å; I75-H79 VanDerWaalsContact O-CD2 3.24Å; I75-H79 PolarHBondContact O-N 2.99Å; I75-H79 VanDerWaalsContact O-N 3.08Å; A76-H79 PolarHBondContact O-N 3.49Å; D77-H79 PolarHBondContact O-N 3.33Å; H79-L81 VanDerWaalsContact C-N 3.28Å; H79-L81 HydrophobicContact CB-CD1 4.4Å; H79-L81 HydrophobicContact CB-CG 4.38Å; H79-L81 PolarHBondContact O-N 3.45Å |
| 80 | N | 98.4 | Very high | 98.7 | Very high | 127 Ų | 127 | 61 Ų | 61 | 68% | 0.679 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 34.1 | 177.6 | -57 | -72.4 | 0 | 0 | 0 | 114.3 | A76 | A76-N80 PolarHBondContact O-N 3.1Å; A76-N80 VanDerWaalsContact O-N 3.14Å |
| 81 | L | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | trans | -100 | 9 | 178.1 | -58.1 | 173.9 | 0 | 0 | 0 | 112.6 | V22 A26 A76 H79 L153 S154 L155 | V22-L81 HydrophobicContact CG1-CD1 3.92Å; A26-L81 HydrophobicContact CB-CD1 4.34Å; A76-L81 HydrophobicContact CB-CB 4.03Å; A76-L81 PolarHBondContact O-N 3.46Å; H79-L81 VanDerWaalsContact C-N 3.28Å; H79-L81 HydrophobicContact CB-CD1 4.4Å; H79-L81 HydrophobicContact CB-CG 4.38Å; H79-L81 PolarHBondContact O-N 3.45Å; L81-L153 HydrophobicContact CD2-CB 4.35Å; L81-L153 HydrophobicContact CD2-CD2 4.15Å; L81-L153 HydrophobicContact CD2-CG 4.13Å; L81-L153 WeakPolarHBondContact CD2-O 3.38Å; L81-S154 CarbonylContact O-C 3.57Å; L81-S154 VanDerWaalsContact O-CA 3.27Å; L81-S154 WeakPolarHBondContact O-CA 3.31Å; L81-L155 PolarHBondContact O-N 2.94Å | ||
| 82 | F | 98.6 | Very high | 98.7 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -118.1 | 30.3 | -174.5 | -139.3 | -17.2 | 0 | 0 | 0 | 114.8 | H73 A76 D77 R89 I92 D93 | H73-F82 HydrophobicContact CB-CE2 3.91Å; H73-F82 AromaticContact CD2-CE2 3.38Å; H73-F82 WeakPolarHBondContact CD2-CE2 3.42Å; H73-F82 AromaticContact CD2-CZ 3.6Å; H73-F82 AromaticContact CG-CE2 3.67Å; H73-F82 AromaticContact NE2-CZ 3.81Å; A76-F82 HydrophobicContact CB-CB 4.07Å; A76-F82 HydrophobicContact CB-CD2 4.04Å; A76-F82 HydrophobicContact CB-CG 4.24Å; D77-F82 WeakPolarHBondContact OD1-CB 3.48Å; F82-R89 HydrophobicContact CD1-CB 4.28Å; F82-R89 HydrophobicContact CD1-CG 3.46Å; F82-R89 VanDerWaalsContact CD1-CG 3.46Å; F82-R89 HydrophobicContact CD2-CG 4.38Å; F82-R89 VanDerWaalsContact CD2-CZ 3.48Å; F82-R89 HydrophobicContact CE1-CG 3.54Å; F82-R89 WeakPolarHBondContact CE1-O 3.39Å; F82-R89 HydrophobicContact CE2-CG 4.43Å; F82-R89 HydrophobicContact CG-CG 3.94Å; F82-R89 HydrophobicContact CZ-CG 4.04Å; F82-R89 WeakPolarHBondContact O-CB 3.28Å; F82-I92 VanDerWaalsContact C-CD1 3.49Å; F82-I92 HydrophobicContact CD1-CB 3.88Å; F82-I92 HydrophobicContact CD1-CD1 4.32Å; F82-I92 HydrophobicContact CD1-CG2 3.57Å; F82-I92 HydrophobicContact CE1-CB 3.9Å; F82-I92 HydrophobicContact CE1-CG2 3.61Å; F82-D93 HydrophobicContact CE1-CB 4.15Å; F82-D93 HydrophobicContact CZ-CB 4.21Å |
| 83 | G | 98.3 | Very high | 98.7 | Very high | 23 Ų | 23 | 64 Ų | 64 | 24% | 0.237 | 31% | 0.314 | C | S | . | . | trans | 78 | 171.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E88 I92 | G83-E88 WeakPolarHBondContact CA-OE2 3.37Å; G83-I92 VanDerWaalsContact N-CD1 3.28Å | ||
| 84 | K | 98.3 | Very high | 98.7 | Very high | 152 Ų | 152 | 68 Ų | 68 | 66% | 0.661 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -97.9 | -18.9 | -178.6 | -66 | 177.9 | -177.3 | 162.8 | 0 | 113.6 | E88 | K84-E88 PolarHBondContact N-OE2 3.13Š|
| 85 | D | 98.5 | Very high | 98.7 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -143.6 | 175.1 | 178.9 | 68.3 | 35.2 | 0 | 0 | 0 | 111.3 | K87 E88 R89 | D85-K87 PolarHBondContact O-N 2.97Å; D85-K87 WeakPolarHBondContact OD1-CA 3.45Å; D85-K87 WeakPolarHBondContact OD1-CB 3.36Å; D85-K87 PolarHBondContact OD1-N 2.98Å; D85-E88 PolarHBondContact O-N 3.12Å; D85-E88 PolarHBondContact OD1-N 3.25Å; D85-R89 WeakPolarHBondContact O-CB 3.38Å; D85-R89 PolarHBondContact O-N 3.32Å |
| 86 | L | 98.7 | Very high | 98.7 | Very high | 132 Ų | 132 | 66.5 Ų | 66.5 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62 | -31.9 | -178.3 | -174.4 | 58.9 | 0 | 0 | 0 | 112.6 | T90 | L86-T90 WeakPolarHBondContact O-CB 3.34Å; L86-T90 PolarHBondContact O-N 3.14Å; L86-T90 PolarHBondContact O-OG1 3.39Å |
| 87 | K | 98.8 | Very high | 98.7 | Very high | 167 Ų | 167 | 69 Ų | 69 | 73% | 0.726 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.2 | -47.4 | -179.1 | -63.7 | -180 | 178.7 | 177.4 | 0 | 110.4 | D85 R89 T90 L91 | D85-K87 PolarHBondContact O-N 2.97Å; D85-K87 WeakPolarHBondContact OD1-CA 3.45Å; D85-K87 WeakPolarHBondContact OD1-CB 3.36Å; D85-K87 PolarHBondContact OD1-N 2.98Å; K87-R89 VanDerWaalsContact C-N 3.35Å; K87-T90 PolarHBondContact O-N 2.88Å; K87-L91 WeakPolarHBondContact O-CG 3.32Å; K87-L91 PolarHBondContact O-N 3.44Å; K87-L91 VanDerWaalsContact O-N 3.1Å |
| 88 | E | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 66.3 Ų | 66.3 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.5 | -69.5 | -170.9 | 164.6 | 0 | 0 | 111.1 | G83 K84 D85 T90 L91 I92 V149 G150 | G83-E88 WeakPolarHBondContact CA-OE2 3.37Å; K84-E88 PolarHBondContact N-OE2 3.13Å; D85-E88 PolarHBondContact O-N 3.12Å; D85-E88 PolarHBondContact OD1-N 3.25Å; E88-T90 VanDerWaalsContact C-N 3.33Å; E88-T90 PolarHBondContact O-N 2.78Å; E88-L91 PolarHBondContact O-N 2.98Å; E88-I92 VanDerWaalsContact O-CG1 3.29Å; E88-I92 WeakPolarHBondContact O-CG1 3.5Å; E88-I92 PolarHBondContact O-N 3.02Å; E88-V149 HydrophobicContact CB-CG1 3.64Å; E88-V149 HydrophobicContact CG-CG1 3.71Å; E88-G150 WeakPolarHBondContact OE1-CA 3.46Å |
| 89 | R | 98.9 | Very high | 98.7 | Very high | 79 Ų | 79 | 62.2 Ų | 62.2 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.9 | -47.2 | 175.8 | -168.7 | -166.6 | -177.1 | 91.6 | -1.3 | 111.5 | D77 F82 D85 K87 L91 I92 D93 | D77-R89 VanDerWaalsContact CG-NH1 3.34Å; D77-R89 IonicContact OD1-CZ 3.44Å; D77-R89 IonicContact OD1-NH1 3.83Å; D77-R89 PolarHBondContact OD1-NH1 3.32Å; D77-R89 IonicContact OD1-NH2 3.31Å; D77-R89 IonicContact OD2-CZ 3.63Å; D77-R89 IonicContact OD2-NH1 2.77Å; D77-R89 PolarHBondContact OD2-NH1 2.99Å; D77-R89 IonicContact OD2-NH2 2.63Å; D77-R89 PolarHBondContact OD2-NH2 3.49Å; F82-R89 HydrophobicContact CD1-CB 4.28Å; F82-R89 HydrophobicContact CD1-CG 3.46Å; F82-R89 VanDerWaalsContact CD1-CG 3.46Å; F82-R89 HydrophobicContact CD2-CG 4.38Å; F82-R89 VanDerWaalsContact CD2-CZ 3.48Å; F82-R89 HydrophobicContact CE1-CG 3.54Å; F82-R89 WeakPolarHBondContact CE1-O 3.39Å; F82-R89 HydrophobicContact CE2-CG 4.43Å; F82-R89 HydrophobicContact CG-CG 3.94Å; F82-R89 HydrophobicContact CZ-CG 4.04Å; F82-R89 WeakPolarHBondContact O-CB 3.28Å; D85-R89 WeakPolarHBondContact O-CB 3.38Å; D85-R89 PolarHBondContact O-N 3.32Å; K87-R89 VanDerWaalsContact C-N 3.35Å; R89-L91 VanDerWaalsContact C-N 3.34Å; R89-L91 PolarHBondContact O-N 3.46Å; R89-I92 PolarHBondContact O-N 2.91Å; R89-D93 WeakPolarHBondContact O-CB 3.47Å; R89-D93 PolarHBondContact O-N 2.77Å |
| 90 | T | 98.9 | Very high | 98.7 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 178.9 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | L86 K87 E88 D93 M94 | L86-T90 WeakPolarHBondContact O-CB 3.34Å; L86-T90 PolarHBondContact O-N 3.14Å; L86-T90 PolarHBondContact O-OG1 3.39Å; K87-T90 PolarHBondContact O-N 2.88Å; E88-T90 VanDerWaalsContact C-N 3.33Å; E88-T90 PolarHBondContact O-N 2.78Å; T90-D93 PolarHBondContact O-N 3.43Å; T90-M94 HydrophobicContact CG2-SD 4.23Å; T90-M94 WeakPolarHBondContact O-CG 3.36Å; T90-M94 PolarHBondContact O-N 2.82Å; T90-M94 VanDerWaalsContact O-N 3.1Å |
| 91 | L | 98.9 | Very high | 98.8 | Very high | 72 Ų | 72 | 58.6 Ų | 58.6 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 175.9 | -67.3 | 174.4 | 0 | 0 | 0 | 111.3 | K87 E88 R89 D93 M94 Y95 V149 | K87-L91 WeakPolarHBondContact O-CG 3.32Å; K87-L91 PolarHBondContact O-N 3.44Å; K87-L91 VanDerWaalsContact O-N 3.1Å; E88-L91 PolarHBondContact O-N 2.98Å; R89-L91 VanDerWaalsContact C-N 3.34Å; R89-L91 PolarHBondContact O-N 3.46Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.49Å; L91-M94 PolarHBondContact O-N 2.81Å; L91-Y95 HydrophobicContact CB-CE2 4.12Å; L91-Y95 WeakPolarHBondContact O-CB 3.49Å; L91-Y95 WeakPolarHBondContact O-CD1 3.49Å; L91-Y95 WeakPolarHBondContact O-CD2 3.46Å; L91-Y95 PolarHBondContact O-N 3.09Å; L91-V149 HydrophobicContact CB-CG2 4.05Å |
| 92 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 178 | -67 | 163 | 0 | 0 | 0 | 110.4 | F82 G83 E88 R89 Y95 V96 V149 L155 A156 | F82-I92 VanDerWaalsContact C-CD1 3.49Å; F82-I92 HydrophobicContact CD1-CB 3.88Å; F82-I92 HydrophobicContact CD1-CD1 4.32Å; F82-I92 HydrophobicContact CD1-CG2 3.57Å; F82-I92 HydrophobicContact CE1-CB 3.9Å; F82-I92 HydrophobicContact CE1-CG2 3.61Å; G83-I92 VanDerWaalsContact N-CD1 3.28Å; E88-I92 VanDerWaalsContact O-CG1 3.29Å; E88-I92 WeakPolarHBondContact O-CG1 3.5Å; E88-I92 PolarHBondContact O-N 3.02Å; R89-I92 PolarHBondContact O-N 2.91Å; I92-Y95 PolarHBondContact O-N 3.05Å; I92-V96 HydrophobicContact CG2-CG2 4.18Å; I92-V96 WeakPolarHBondContact O-CB 3.36Å; I92-V96 WeakPolarHBondContact O-CG2 3.22Å; I92-V96 PolarHBondContact O-N 2.98Å; I92-V149 HydrophobicContact CD1-CB 4.32Å; I92-V149 HydrophobicContact CD1-CG1 4.19Å; I92-V149 HydrophobicContact CG1-CB 3.95Å; I92-V149 HydrophobicContact CG1-CG1 4.1Å; I92-V149 HydrophobicContact CG1-CG2 3.84Å; I92-L155 HydrophobicContact CG2-CB 4.03Å; I92-A156 HydrophobicContact CG2-CB 4.09Å |
| 93 | D | 98.9 | Very high | 98.8 | Very high | 59 Ų | 59 | 58.1 Ų | 58.1 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.5 | -53 | 179.3 | -168.8 | -21.4 | 0 | 0 | 0 | 111 | F82 R89 T90 L91 Y95 V96 E97 | F82-D93 HydrophobicContact CE1-CB 4.15Å; F82-D93 HydrophobicContact CZ-CB 4.21Å; R89-D93 WeakPolarHBondContact O-CB 3.47Å; R89-D93 PolarHBondContact O-N 2.77Å; T90-D93 PolarHBondContact O-N 3.43Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.49Å; D93-Y95 VanDerWaalsContact C-N 3.29Å; D93-Y95 PolarHBondContact O-N 3.33Å; D93-V96 PolarHBondContact O-N 2.99Å; D93-V96 VanDerWaalsContact O-N 3.17Å; D93-E97 PolarHBondContact O-N 3.43Å |
| 94 | M | 98.9 | Very high | 98.8 | Very high | 125 Ų | 125 | 59.6 Ų | 59.6 | 62% | 0.616 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.2 | -39.7 | 177.7 | -70.4 | 176.6 | 63 | 0 | 0 | 113 | T90 L91 G98 | T90-M94 HydrophobicContact CG2-SD 4.23Å; T90-M94 WeakPolarHBondContact O-CG 3.36Å; T90-M94 PolarHBondContact O-N 2.82Å; T90-M94 VanDerWaalsContact O-N 3.1Å; L91-M94 PolarHBondContact O-N 2.81Å; M94-G98 PolarHBondContact O-N 2.68Å; M94-G98 VanDerWaalsContact O-N 3.12Å |
| 95 | Y | 98.9 | Very high | 98.8 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 179.6 | -62.5 | -11.7 | 0 | 0 | 0 | 111.9 | L91 I92 D93 T99 F136 I139 L148 V149 A156 | L91-Y95 HydrophobicContact CB-CE2 4.12Å; L91-Y95 WeakPolarHBondContact O-CB 3.49Å; L91-Y95 WeakPolarHBondContact O-CD1 3.49Å; L91-Y95 WeakPolarHBondContact O-CD2 3.46Å; L91-Y95 PolarHBondContact O-N 3.09Å; I92-Y95 PolarHBondContact O-N 3.05Å; D93-Y95 VanDerWaalsContact C-N 3.29Å; D93-Y95 PolarHBondContact O-N 3.33Å; Y95-T99 VanDerWaalsContact O-CB 3.31Å; Y95-T99 WeakPolarHBondContact O-CB 3.34Å; Y95-T99 PolarHBondContact O-N 3.07Å; Y95-T99 PolarHBondContact O-OG1 3.38Å; Y95-F136 HydrophobicContact CD1-CE1 4.22Å; Y95-F136 HydrophobicContact CD2-CE1 4.5Å; Y95-F136 AromaticContact CG-CE1 3.97Å; Y95-F136 HydrophobicContact CG-CE1 3.97Å; Y95-I139 HydrophobicContact CE1-CD1 3.87Å; Y95-I139 HydrophobicContact CE2-CD1 4.06Å; Y95-I139 WeakPolarHBondContact OH-CD1 3.3Å; Y95-L148 HydrophobicContact CD2-CB 4.34Å; Y95-L148 HydrophobicContact CD2-CD1 4.46Å; Y95-L148 HydrophobicContact CE2-CB 4.49Å; Y95-V149 HydrophobicContact CD2-CG2 4.04Å; Y95-V149 HydrophobicContact CE2-CG2 3.71Å; Y95-A156 HydrophobicContact CD2-CB 4.31Å |
| 96 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -51.5 | 175.9 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | I92 D93 G98 T99 L100 L155 A156 | I92-V96 HydrophobicContact CG2-CG2 4.18Å; I92-V96 WeakPolarHBondContact O-CB 3.36Å; I92-V96 WeakPolarHBondContact O-CG2 3.22Å; I92-V96 PolarHBondContact O-N 2.98Å; D93-V96 PolarHBondContact O-N 2.99Å; D93-V96 VanDerWaalsContact O-N 3.17Å; V96-G98 PolarHBondContact O-N 2.87Å; V96-T99 PolarHBondContact O-N 3.24Å; V96-T99 VanDerWaalsContact O-N 3.13Å; V96-L100 HydrophobicContact CG1-CD1 3.82Å; V96-L100 HydrophobicContact CG1-CG 4.16Å; V96-L100 WeakPolarHBondContact O-CB 3.47Å; V96-L100 WeakPolarHBondContact O-CG 3.36Å; V96-L100 PolarHBondContact O-N 3.48Å; V96-L155 HydrophobicContact CG1-CD2 4.26Å; V96-L155 HydrophobicContact CG2-CB 4.17Å; V96-L155 HydrophobicContact CG2-CD2 3.93Å; V96-L155 HydrophobicContact CG2-CG 3.65Å; V96-A156 HydrophobicContact CG2-CB 4.08Å |
| 97 | E | 98.9 | Very high | 98.8 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | -178.5 | -73.7 | -58.9 | 132.5 | 0 | 0 | 112.1 | R69 D93 T99 L100 D101 | R69-E97 VanDerWaalsContact CD-OE1 3.23Å; R69-E97 WeakPolarHBondContact CD-OE1 3.27Å; R69-E97 WeakPolarHBondContact CG-OE1 3.27Å; R69-E97 IonicContact CZ-OE1 2.9Å; R69-E97 IonicContact CZ-OE2 2.93Å; R69-E97 VanDerWaalsContact CZ-OE2 3.29Å; R69-E97 IonicContact NE-OE1 2.75Å; R69-E97 PolarHBondContact NE-OE1 2.93Å; R69-E97 IonicContact NE-OE2 3.29Å; R69-E97 PolarHBondContact NE-OE2 3.5Å; R69-E97 IonicContact NH2-OE2 3.6Å; R69-E97 PolarHBondContact NH2-OE2 3.19Å; D93-E97 PolarHBondContact O-N 3.43Å; E97-T99 VanDerWaalsContact C-N 3.33Å; E97-T99 PolarHBondContact O-N 2.92Å; E97-L100 PolarHBondContact O-N 3.04Å; E97-D101 PolarHBondContact O-N 3.44Å; E97-D101 VanDerWaalsContact O-N 3.1Å |
| 98 | G | 98.8 | Very high | 98.8 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | M94 V96 D101 L102 Y132 | M94-G98 PolarHBondContact O-N 2.68Å; M94-G98 VanDerWaalsContact O-N 3.12Å; V96-G98 PolarHBondContact O-N 2.87Å; G98-D101 PolarHBondContact O-N 3.44Å; G98-L102 PolarHBondContact O-N 3.25Å; G98-Y132 WeakPolarHBondContact O-CE1 3.3Å |
| 99 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.4 | -36.3 | 178.2 | -55 | 0 | 0 | 0 | 0 | 112.1 | Y95 V96 E97 D101 L102 L103 F136 I159 L160 T163 | Y95-T99 VanDerWaalsContact O-CB 3.31Å; Y95-T99 WeakPolarHBondContact O-CB 3.34Å; Y95-T99 PolarHBondContact O-N 3.07Å; Y95-T99 PolarHBondContact O-OG1 3.38Å; V96-T99 PolarHBondContact O-N 3.24Å; V96-T99 VanDerWaalsContact O-N 3.13Å; E97-T99 VanDerWaalsContact C-N 3.33Å; E97-T99 PolarHBondContact O-N 2.92Å; T99-D101 VanDerWaalsContact C-N 3.32Å; T99-D101 PolarHBondContact O-N 3.03Å; T99-L102 WeakPolarHBondContact O-CB 3.27Å; T99-L102 PolarHBondContact O-N 3.45Å; T99-L103 WeakPolarHBondContact O-CB 3.41Å; T99-L103 PolarHBondContact O-N 3.26Å; T99-F136 WeakPolarHBondContact OG1-CZ 3.44Å; T99-I159 HydrophobicContact CG2-CG2 3.73Å; T99-L160 HydrophobicContact CG2-CD1 4.33Å; T99-T163 HydrophobicContact CG2-CG2 4.19Å; T99-T163 WeakPolarHBondContact CG2-OG1 3.44Å |
| 100 | L | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -34.5 | 176.5 | -73.3 | 179.3 | 0 | 0 | 0 | 111.8 | R69 L72 V96 E97 L102 L103 E104 I159 | R69-L100 HydrophobicContact CG-CD1 3.88Å; L72-L100 HydrophobicContact CD1-CD1 4.38Å; V96-L100 HydrophobicContact CG1-CD1 3.82Å; V96-L100 HydrophobicContact CG1-CG 4.16Å; V96-L100 WeakPolarHBondContact O-CB 3.47Å; V96-L100 WeakPolarHBondContact O-CG 3.36Å; V96-L100 PolarHBondContact O-N 3.48Å; E97-L100 PolarHBondContact O-N 3.04Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 PolarHBondContact O-N 3.42Å; L100-L103 HydrophobicContact CD2-CD2 4.08Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-E104 WeakPolarHBondContact O-CB 3.38Å; L100-E104 PolarHBondContact O-N 3.35Å; L100-I159 HydrophobicContact CD2-CG2 3.92Å; L100-I159 HydrophobicContact CG-CG2 4.29Å |
| 101 | D | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 36.7 Ų | 36.7 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 172.2 | -73.4 | -13.2 | 0 | 0 | 0 | 112.4 | E97 G98 T99 | E97-D101 PolarHBondContact O-N 3.44Å; E97-D101 VanDerWaalsContact O-N 3.1Å; G98-D101 PolarHBondContact O-N 3.44Å; T99-D101 VanDerWaalsContact C-N 3.32Å; T99-D101 PolarHBondContact O-N 3.03Å |
| 102 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.6 | -43.8 | 174 | -179.6 | 59.8 | 0 | 0 | 0 | 111.4 | G98 T99 L100 E104 L105 K127 A128 Y132 F133 T163 L167 | G98-L102 PolarHBondContact O-N 3.25Å; T99-L102 WeakPolarHBondContact O-CB 3.27Å; T99-L102 PolarHBondContact O-N 3.45Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 PolarHBondContact O-N 3.42Å; L102-E104 PolarHBondContact O-N 3.35Å; L102-L105 HydrophobicContact CD1-CD1 4.14Å; L102-L105 WeakPolarHBondContact O-CB 3.37Å; L102-L105 PolarHBondContact O-N 2.8Å; L102-K127 HydrophobicContact CD1-CB 4.23Å; L102-A128 HydrophobicContact CD1-CB 4.24Å; L102-A128 HydrophobicContact CD2-CB 4.09Å; L102-Y132 HydrophobicContact CB-CD2 3.93Å; L102-Y132 HydrophobicContact CB-CE2 3.78Å; L102-Y132 HydrophobicContact CB-CG 4.38Å; L102-Y132 HydrophobicContact CD1-CD2 3.89Å; L102-Y132 HydrophobicContact CD1-CE2 3.93Å; L102-Y132 HydrophobicContact CD2-CD2 3.73Å; L102-Y132 HydrophobicContact CD2-CE2 4.4Å; L102-Y132 HydrophobicContact CD2-CG 4.01Å; L102-Y132 HydrophobicContact CG-CD2 4.06Å; L102-Y132 HydrophobicContact CG-CE2 4.25Å; L102-F133 HydrophobicContact CD2-CE1 4.32Å; L102-T163 HydrophobicContact CB-CG2 4.42Å; L102-T163 HydrophobicContact CD2-CG2 3.86Å; L102-T163 HydrophobicContact CG-CG2 3.96Å; L102-L167 HydrophobicContact CD2-CD1 3.9Å; L102-L167 HydrophobicContact CG-CD1 4.3Å |
| 103 | L | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -30.2 | 178.3 | -174.4 | 61.2 | 0 | 0 | 0 | 112 | S18 T99 L100 L105 L106 I107 T163 | S18-L103 WeakPolarHBondContact OG-CD2 3.41Å; T99-L103 WeakPolarHBondContact O-CB 3.41Å; T99-L103 PolarHBondContact O-N 3.26Å; L100-L103 HydrophobicContact CD2-CD2 4.08Å; L100-L103 PolarHBondContact O-N 2.94Å; L103-L105 PolarHBondContact O-N 2.81Å; L103-L106 HydrophobicContact CD1-CB 4.35Å; L103-L106 HydrophobicContact CD1-CD1 3.99Å; L103-L106 WeakPolarHBondContact O-CA 3.49Å; L103-L106 WeakPolarHBondContact O-CB 3.49Å; L103-L106 PolarHBondContact O-N 3.5Å; L103-I107 HydrophobicContact CD2-CD1 4.35Å; L103-I107 HydrophobicContact CG-CD1 4Å; L103-I107 HydrophobicContact CG-CG1 4.31Å; L103-I107 WeakPolarHBondContact O-CG1 3.45Å; L103-I107 PolarHBondContact O-N 3.47Å; L103-T163 HydrophobicContact CB-CG2 4.47Å |
| 104 | E | 98.8 | Very high | 98.2 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -35.2 | 177.8 | -171.9 | 64.7 | -177.4 | 0 | 0 | 112.2 | R15 L100 L102 L106 I107 M108 | R15-E104 IonicContact CZ-OE1 2.69Å; R15-E104 VanDerWaalsContact CZ-OE1 3.31Å; R15-E104 IonicContact CZ-OE2 3.95Å; R15-E104 VanDerWaalsContact NH1-CD 3.29Å; R15-E104 IonicContact NH1-OE1 2.62Å; R15-E104 PolarHBondContact NH1-OE1 3.34Å; R15-E104 VanDerWaalsContact NH1-OE1 3.15Å; R15-E104 IonicContact NH1-OE2 2.66Å; R15-E104 PolarHBondContact NH1-OE2 2.93Å; R15-E104 IonicContact NH2-OE1 3.15Å; R15-E104 PolarHBondContact NH2-OE1 3.33Å; R15-E104 IonicContact NH2-OE2 2.65Å; L100-E104 WeakPolarHBondContact O-CB 3.38Å; L100-E104 PolarHBondContact O-N 3.35Å; L102-E104 PolarHBondContact O-N 3.35Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 2.92Å; E104-I107 PolarHBondContact O-N 3.36Å; E104-M108 HydrophobicContact CG-CG 4.3Å; E104-M108 WeakPolarHBondContact O-CB 3.46Å; E104-M108 WeakPolarHBondContact O-CG 3.46Å; E104-M108 PolarHBondContact O-N 3.12Å |
| 105 | L | 98.6 | Very high | 97.9 | Very high | 33 Ų | 33 | 46 Ų | 46 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.9 | -52.6 | 177.3 | 0 | 0 | 0 | 111.4 | L102 L103 H109 M124 K127 | L102-L105 HydrophobicContact CD1-CD1 4.14Å; L102-L105 WeakPolarHBondContact O-CB 3.37Å; L102-L105 PolarHBondContact O-N 2.8Å; L103-L105 PolarHBondContact O-N 2.81Å; L105-H109 WeakPolarHBondContact O-CB 3.3Å; L105-H109 PolarHBondContact O-N 2.82Å; L105-M124 HydrophobicContact CB-CG 3.5Å; L105-M124 VanDerWaalsContact CB-CG 3.5Å; L105-M124 HydrophobicContact CB-SD 4Å; L105-M124 HydrophobicContact CD1-CG 3.8Å; L105-M124 HydrophobicContact CG-CG 4.31Å; L105-K127 HydrophobicContact CD1-CB 4.5Å; L105-K127 HydrophobicContact CD1-CD 3.45Å; L105-K127 VanDerWaalsContact CD1-CD 3.45Å |
| 106 | L | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.7 | -38 | 175 | -76.1 | 167.9 | 0 | 0 | 0 | 112.2 | L103 E104 M108 P110 M124 A166 L167 K170 | L103-L106 HydrophobicContact CD1-CB 4.35Å; L103-L106 HydrophobicContact CD1-CD1 3.99Å; L103-L106 WeakPolarHBondContact O-CA 3.49Å; L103-L106 WeakPolarHBondContact O-CB 3.49Å; L103-L106 PolarHBondContact O-N 3.5Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 2.92Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-P110 WeakPolarHBondContact O-CD 3.3Å; L106-M124 HydrophobicContact CD2-SD 3.63Å; L106-M124 HydrophobicContact CG-SD 3.82Å; L106-A166 HydrophobicContact CD1-CB 3.57Å; L106-L167 HydrophobicContact CD1-CD2 4.14Å; L106-L167 HydrophobicContact CD1-CG 3.97Å; L106-L167 HydrophobicContact CD2-CD2 4.41Å; L106-L167 HydrophobicContact CG-CD2 4.31Å; L106-K170 HydrophobicContact CD2-CD 3.65Å |
| 107 | I | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 50 Ų | 50 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 178.7 | -69.4 | 168.7 | 0 | 0 | 0 | 110.7 | R15 L103 E104 P110 | R15-I107 HydrophobicContact CG-CD1 4.22Å; R15-I107 HydrophobicContact CG-CG2 4.16Å; L103-I107 HydrophobicContact CD2-CD1 4.35Å; L103-I107 HydrophobicContact CG-CD1 4Å; L103-I107 HydrophobicContact CG-CG1 4.31Å; L103-I107 WeakPolarHBondContact O-CG1 3.45Å; L103-I107 PolarHBondContact O-N 3.47Å; E104-I107 PolarHBondContact O-N 3.36Å; I107-P110 WeakPolarHBondContact O-CD 3.23Å |
| 108 | M | 98.4 | Very high | 97.5 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -85 | -24.6 | -177.4 | -64.3 | -53.8 | -61.9 | 0 | 0 | 113.5 | E104 L106 F111 | E104-M108 HydrophobicContact CG-CG 4.3Å; E104-M108 WeakPolarHBondContact O-CB 3.46Å; E104-M108 WeakPolarHBondContact O-CG 3.46Å; E104-M108 PolarHBondContact O-N 3.12Å; L106-M108 VanDerWaalsContact C-N 3.33Å; M108-F111 PolarHBondContact O-N 3.3Å |
| 109 | H | 98.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -46.1 | -46.1 | -178.1 | -174.1 | -98.2 | 0 | 0 | 0 | 115.4 | L105 F111 L112 Q117 M124 K170 | L105-H109 WeakPolarHBondContact O-CB 3.3Å; L105-H109 PolarHBondContact O-N 2.82Å; H109-F111 PolarHBondContact O-N 3.34Å; H109-F111 VanDerWaalsContact O-N 3.12Å; H109-L112 PolarHBondContact O-N 2.78Å; H109-Q117 WeakPolarHBondContact NE2-CB 3.36Å; H109-Q117 PolarHBondContact NE2-O 3.18Å; H109-Q117 PolarHBondContact O-NE2 3.05Å; H109-M124 HydrophobicContact CB-CE 3.76Å; H109-M124 WeakPolarHBondContact CD2-CE 3.2Å; H109-K170 PolarHBondContact CE1-NZ 3.4Å; H109-K170 VanDerWaalsContact CE1-NZ 3.29Å; H109-K170 PolarHBondContact ND1-NZ 3.35Å |
| 110 | P | 98.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -66.1 | -17.8 | -176.5 | -18.3 | 32.6 | 0 | 0 | 0 | 113.8 | L106 I107 P208 V213 | L106-P110 WeakPolarHBondContact O-CD 3.3Å; I107-P110 WeakPolarHBondContact O-CD 3.23Å; P110-P208 HydrophobicContact CB-CB 4.23Å; P110-P208 HydrophobicContact CB-CG 4.03Å; P110-P208 HydrophobicContact CG-CB 3.92Å; P110-P208 HydrophobicContact CG-CG 3.28Å; P110-V213 HydrophobicContact CB-CG2 3.63Å |
| 111 | F | 97.6 | Very high | 97.4 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 20% | 0.197 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -101.7 | -0.9 | -176.2 | -54.8 | -74.4 | 0 | 0 | 0 | 113.1 | M108 H109 Y212 V213 V216 Y217 | M108-F111 PolarHBondContact O-N 3.3Å; H109-F111 PolarHBondContact O-N 3.34Å; H109-F111 VanDerWaalsContact O-N 3.12Å; F111-Y212 AromaticContact CZ-CE1 3.93Å; F111-Y212 HydrophobicContact CZ-CE1 3.93Å; F111-V213 HydrophobicContact CD1-CG1 4.02Å; F111-V213 HydrophobicContact CE1-CB 4.34Å; F111-V213 HydrophobicContact CE1-CG1 4.02Å; F111-V213 HydrophobicContact CE1-CG2 4.22Å; F111-V216 HydrophobicContact CE1-CB 3.92Å; F111-V216 HydrophobicContact CE1-CG1 3.72Å; F111-V216 HydrophobicContact CZ-CB 4.07Å; F111-V216 HydrophobicContact CZ-CG1 3.75Å; F111-V216 HydrophobicContact CZ-CG2 4.25Å; F111-Y217 HydrophobicContact CD1-CE2 4.03Å; F111-Y217 AromaticContact CD1-CZ 3.97Å; F111-Y217 PolarHBondContact O-OH 3.33Å |
| 112 | L | 97.3 | Very high | 97.4 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -68.7 | 158 | 171.3 | -63.6 | 177.8 | 0 | 0 | 0 | 111 | H109 Q117 E120 | H109-L112 PolarHBondContact O-N 2.78Å; L112-Q117 HydrophobicContact CB-CG 3.9Å; L112-E120 HydrophobicContact CD1-CB 3.55Å; L112-E120 HydrophobicContact CD1-CG 3.69Å |
| 113 | K | 95.8 | Very high | 97.3 | Very high | 153 Ų | 153 | 64.1 Ų | 64.1 | 67% | 0.665 | 32% | 0.324 | S | S | * | . | trans | -60.4 | 143.3 | 167 | -64.9 | 177.2 | -178.1 | 175 | 0 | 108.9 | D115 D116 Q117 | K113-D115 PolarHBondContact O-N 2.73Å; K113-D115 VanDerWaalsContact O-N 3.14Å; K113-D116 PolarHBondContact O-N 3.45Å; K113-Q117 PolarHBondContact O-N 3.19Å | ||
| 114 | P | 92.7 | Very high | 97.3 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 66% | 0.656 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -49.5 | -42.6 | -179.7 | -30.3 | 36.1 | 0 | 0 | 0 | 113.8 | D116 Q117 | P114-D116 PolarHBondContact O-N 3.04Å; P114-Q117 PolarHBondContact O-N 3.12Å |
| 115 | D | 94 | Very high | 97.3 | Very high | 141 Ų | 141 | 62.3 Ų | 62.3 | 75% | 0.754 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66 | -22.1 | -179.3 | -62.9 | -12.3 | 0 | 0 | 0 | 114.2 | K113 | K113-D115 PolarHBondContact O-N 2.73Å; K113-D115 VanDerWaalsContact O-N 3.14Å |
| 116 | D | 97.2 | Very high | 97.3 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -93.6 | -20.5 | -179.4 | -64.8 | -38.4 | 0 | 0 | 0 | 112.2 | K113 P114 Q118 K119 E120 | K113-D116 PolarHBondContact O-N 3.45Å; P114-D116 PolarHBondContact O-N 3.04Å; D116-Q118 VanDerWaalsContact C-N 3.33Å; D116-Q118 PolarHBondContact O-N 3.25Å; D116-K119 PolarHBondContact O-N 3.47Å; D116-E120 PolarHBondContact O-N 2.99Å |
| 117 | Q | 96.3 | Very high | 97.2 | Very high | 60 Ų | 60 | 67.3 Ų | 67.3 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | -176.8 | -76.4 | -176.7 | -7.8 | 0 | 0 | 112.7 | H109 L112 K113 P114 E120 V121 | H109-Q117 WeakPolarHBondContact NE2-CB 3.36Å; H109-Q117 PolarHBondContact NE2-O 3.18Å; H109-Q117 PolarHBondContact O-NE2 3.05Å; L112-Q117 HydrophobicContact CB-CG 3.9Å; K113-Q117 PolarHBondContact O-N 3.19Å; P114-Q117 PolarHBondContact O-N 3.12Å; Q117-E120 PolarHBondContact O-N 2.94Å; Q117-V121 WeakPolarHBondContact O-CG2 3.34Å; Q117-V121 PolarHBondContact O-N 3.19Å; Q117-V121 VanDerWaalsContact O-N 3.14Å |
| 118 | Q | 95.2 | Very high | 97.2 | Very high | 138 Ų | 138 | 66.1 Ų | 66.1 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.9 | -39.3 | 179.9 | -174.9 | 60.6 | 22.4 | 0 | 0 | 111.8 | D116 E120 V121 V122 | D116-Q118 VanDerWaalsContact C-N 3.33Å; D116-Q118 PolarHBondContact O-N 3.25Å; Q118-E120 VanDerWaalsContact C-N 3.3Å; Q118-E120 PolarHBondContact O-N 2.84Å; Q118-V121 PolarHBondContact O-N 2.67Å; Q118-V122 PolarHBondContact O-N 3.35Å |
| 119 | K | 96.9 | Very high | 97.2 | Very high | 146 Ų | 146 | 65.2 Ų | 65.2 | 64% | 0.635 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 175.9 | -66.3 | 175.7 | -174.8 | 163.4 | 0 | 110.8 | D116 V121 V122 N123 | D116-K119 PolarHBondContact O-N 3.47Å; K119-V121 VanDerWaalsContact C-N 3.34Å; K119-V121 PolarHBondContact O-N 2.73Å; K119-V122 PolarHBondContact O-N 2.89Å; K119-N123 PolarHBondContact O-N 2.91Å |
| 120 | E | 98 | Very high | 97.2 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.8 | -33.1 | -180 | -166.2 | 60.4 | -143.7 | 0 | 0 | 112.5 | L112 D116 Q117 Q118 V122 N123 M124 | L112-E120 HydrophobicContact CD1-CB 3.55Å; L112-E120 HydrophobicContact CD1-CG 3.69Å; D116-E120 PolarHBondContact O-N 2.99Å; Q117-E120 PolarHBondContact O-N 2.94Å; Q118-E120 VanDerWaalsContact C-N 3.3Å; Q118-E120 PolarHBondContact O-N 2.84Å; E120-V122 VanDerWaalsContact C-N 3.3Å; E120-V122 PolarHBondContact O-N 2.85Å; E120-N123 PolarHBondContact O-N 2.91Å; E120-N123 PolarHBondContact OE1-ND2 3.4Å; E120-M124 HydrophobicContact CB-CE 4.3Å; E120-M124 HydrophobicContact CG-CE 3.71Å; E120-M124 WeakPolarHBondContact O-CB 3.39Å; E120-M124 WeakPolarHBondContact O-CG 3.4Å; E120-M124 PolarHBondContact O-N 3.19Å |
| 121 | V | 98.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 76.5 Ų | 76.5 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 173 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | Q117 Q118 K119 M124 A125 K170 I171 | Q117-V121 WeakPolarHBondContact O-CG2 3.34Å; Q117-V121 PolarHBondContact O-N 3.19Å; Q117-V121 VanDerWaalsContact O-N 3.14Å; Q118-V121 PolarHBondContact O-N 2.67Å; K119-V121 VanDerWaalsContact C-N 3.34Å; K119-V121 PolarHBondContact O-N 2.73Å; V121-M124 PolarHBondContact O-N 2.95Å; V121-A125 PolarHBondContact O-N 3.34Å; V121-K170 HydrophobicContact CG2-CD 4.37Å; V121-I171 HydrophobicContact CG1-CD1 4.03Å; V121-I171 HydrophobicContact CG1-CG1 3.82Å |
| 122 | V | 98.1 | Very high | 97.3 | Very high | 74 Ų | 74 | 75.4 Ų | 75.4 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | Q118 K119 E120 A125 Q126 | Q118-V122 PolarHBondContact O-N 3.35Å; K119-V122 PolarHBondContact O-N 2.89Å; E120-V122 VanDerWaalsContact C-N 3.3Å; E120-V122 PolarHBondContact O-N 2.85Å; V122-A125 WeakPolarHBondContact O-CB 3.29Å; V122-A125 PolarHBondContact O-N 2.89Å; V122-Q126 WeakPolarHBondContact O-CG 3.39Å; V122-Q126 PolarHBondContact O-N 3.3Å |
| 123 | N | 97.9 | Very high | 97.4 | Very high | 49 Ų | 49 | 72.7 Ų | 72.7 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 176.1 | -179.4 | 49 | 0 | 0 | 0 | 112.2 | K119 E120 Q126 K127 | K119-N123 PolarHBondContact O-N 2.91Å; E120-N123 PolarHBondContact O-N 2.91Å; E120-N123 PolarHBondContact OE1-ND2 3.4Å; N123-Q126 PolarHBondContact O-N 2.94Å; N123-K127 WeakPolarHBondContact ND2-CE 3.44Å; N123-K127 WeakPolarHBondContact O-CB 3.44Å; N123-K127 WeakPolarHBondContact O-CG 3.2Å; N123-K127 PolarHBondContact O-N 3.44Å; N123-K127 VanDerWaalsContact OD1-CE 3.27Å; N123-K127 WeakPolarHBondContact OD1-CE 3.23Å |
| 124 | M | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57 | -48.8 | 173.2 | -81.8 | -174.3 | -112 | 0 | 0 | 111.2 | L105 L106 H109 E120 V121 Q126 K127 A128 L167 | L105-M124 HydrophobicContact CB-CG 3.5Å; L105-M124 VanDerWaalsContact CB-CG 3.5Å; L105-M124 HydrophobicContact CB-SD 4Å; L105-M124 HydrophobicContact CD1-CG 3.8Å; L105-M124 HydrophobicContact CG-CG 4.31Å; L106-M124 HydrophobicContact CD2-SD 3.63Å; L106-M124 HydrophobicContact CG-SD 3.82Å; H109-M124 HydrophobicContact CB-CE 3.76Å; H109-M124 WeakPolarHBondContact CD2-CE 3.2Å; E120-M124 HydrophobicContact CB-CE 4.3Å; E120-M124 HydrophobicContact CG-CE 3.71Å; E120-M124 WeakPolarHBondContact O-CB 3.39Å; E120-M124 WeakPolarHBondContact O-CG 3.4Å; E120-M124 PolarHBondContact O-N 3.19Å; V121-M124 PolarHBondContact O-N 2.95Å; M124-Q126 PolarHBondContact O-N 3.39Å; M124-K127 PolarHBondContact O-N 3.28Å; M124-A128 WeakPolarHBondContact O-CB 3.41Å; M124-A128 PolarHBondContact O-N 3.24Å; M124-L167 HydrophobicContact CB-CD2 4.21Å; M124-L167 HydrophobicContact SD-CD2 4.4Å |
| 125 | A | 98.3 | Very high | 97.8 | Very high | 20 Ų | 20 | 66.5 Ų | 66.5 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.5 | -51.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V121 V122 K127 A128 I129 I171 | V121-A125 PolarHBondContact O-N 3.34Å; V122-A125 WeakPolarHBondContact O-CB 3.29Å; V122-A125 PolarHBondContact O-N 2.89Å; A125-K127 PolarHBondContact O-N 3.02Å; A125-A128 PolarHBondContact O-N 3.47Å; A125-I129 VanDerWaalsContact O-CG1 3.27Å; A125-I129 WeakPolarHBondContact O-CG1 3.38Å; A125-I129 WeakPolarHBondContact O-CG2 3.48Å; A125-I129 PolarHBondContact O-N 3.44Å; A125-I171 HydrophobicContact CB-CD1 3.71Å |
| 126 | Q | 98.4 | Very high | 98 | Very high | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | -179.9 | -74 | 177.5 | -24.3 | 0 | 0 | 112.2 | V122 N123 M124 I130 | V122-Q126 WeakPolarHBondContact O-CG 3.39Å; V122-Q126 PolarHBondContact O-N 3.3Å; N123-Q126 PolarHBondContact O-N 2.94Å; M124-Q126 PolarHBondContact O-N 3.39Å; Q126-I130 HydrophobicContact CB-CD1 4.35Å; Q126-I130 WeakPolarHBondContact O-CB 3.36Å; Q126-I130 VanDerWaalsContact O-CG1 3.24Å; Q126-I130 WeakPolarHBondContact O-CG1 3.25Å; Q126-I130 PolarHBondContact O-N 3.26Å |
| 127 | K | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 24% | 0.243 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 177.5 | -76.7 | 174.9 | -178.7 | -71 | 0 | 111.2 | L102 L105 N123 M124 A125 R131 Y132 | L102-K127 HydrophobicContact CD1-CB 4.23Å; L105-K127 HydrophobicContact CD1-CB 4.5Å; L105-K127 HydrophobicContact CD1-CD 3.45Å; L105-K127 VanDerWaalsContact CD1-CD 3.45Å; N123-K127 WeakPolarHBondContact ND2-CE 3.44Å; N123-K127 WeakPolarHBondContact O-CB 3.44Å; N123-K127 WeakPolarHBondContact O-CG 3.2Å; N123-K127 PolarHBondContact O-N 3.44Å; N123-K127 VanDerWaalsContact OD1-CE 3.27Å; N123-K127 WeakPolarHBondContact OD1-CE 3.23Å; M124-K127 PolarHBondContact O-N 3.28Å; A125-K127 PolarHBondContact O-N 3.02Å; K127-R131 WeakPolarHBondContact O-CA 3.34Å; K127-R131 VanDerWaalsContact O-CB 3.23Å; K127-R131 WeakPolarHBondContact O-CB 3.48Å; K127-R131 PolarHBondContact O-N 2.88Å; K127-Y132 HydrophobicContact CB-CD2 4.49Å; K127-Y132 HydrophobicContact CB-CE2 4.17Å; K127-Y132 VanDerWaalsContact O-CD2 3.28Å; K127-Y132 WeakPolarHBondContact O-CD2 3.44Å; K127-Y132 PolarHBondContact O-N 2.9Å |
| 128 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -57.2 | -54.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L102 M124 A125 Y132 F133 L167 I174 | L102-A128 HydrophobicContact CD1-CB 4.24Å; L102-A128 HydrophobicContact CD2-CB 4.09Å; M124-A128 WeakPolarHBondContact O-CB 3.41Å; M124-A128 PolarHBondContact O-N 3.24Å; A125-A128 PolarHBondContact O-N 3.47Å; A128-Y132 PolarHBondContact O-N 2.91Å; A128-F133 HydrophobicContact CB-CD2 4.12Å; A128-F133 HydrophobicContact CB-CE1 4.27Å; A128-F133 HydrophobicContact CB-CE2 3.8Å; A128-F133 HydrophobicContact CB-CZ 3.89Å; A128-F133 WeakPolarHBondContact O-CB 3.42Å; A128-F133 WeakPolarHBondContact O-CG 3.38Å; A128-F133 PolarHBondContact O-N 3.26Å; A128-L167 HydrophobicContact CB-CD1 4Å; A128-I174 HydrophobicContact CB-CD1 3.79Å |
| 129 | I | 98.3 | Very high | 98.4 | Very high | 68 Ų | 68 | 58 Ų | 58 | 35% | 0.349 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -75.4 | -28.2 | -172.8 | 73.3 | -168.8 | 0 | 0 | 0 | 114 | A125 P134 I174 F178 | A125-I129 VanDerWaalsContact O-CG1 3.27Å; A125-I129 WeakPolarHBondContact O-CG1 3.38Å; A125-I129 WeakPolarHBondContact O-CG2 3.48Å; A125-I129 PolarHBondContact O-N 3.44Å; I129-P134 VanDerWaalsContact O-CD 3.25Å; I129-P134 WeakPolarHBondContact O-CD 3.09Å; I129-P134 WeakPolarHBondContact O-CG 3.2Å; I129-I174 HydrophobicContact CG2-CG1 4.05Å; I129-F178 HydrophobicContact CB-CE2 4.12Å; I129-F178 HydrophobicContact CB-CZ 4.17Å; I129-F178 HydrophobicContact CG2-CE2 4.03Å |
| 130 | I | 98.4 | Very high | 98.5 | Very high | 125 Ų | 125 | 51.3 Ų | 51.3 | 64% | 0.641 | 26% | 0.255 | S | S | * | . | I | π-helix | trans | -93.4 | -42.6 | -177.6 | -60.2 | 172.9 | 0 | 0 | 0 | 111.1 | Q126 | Q126-I130 HydrophobicContact CB-CD1 4.35Å; Q126-I130 WeakPolarHBondContact O-CB 3.36Å; Q126-I130 VanDerWaalsContact O-CG1 3.24Å; Q126-I130 WeakPolarHBondContact O-CG1 3.25Å; Q126-I130 PolarHBondContact O-N 3.26Å |
| 131 | R | 98.4 | Very high | 98.5 | Very high | 142 Ų | 142 | 57.8 Ų | 57.8 | 54% | 0.536 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -98.7 | -45.1 | -168 | -174.9 | -179.2 | -67.2 | -172.8 | -6.2 | 113.2 | K127 V135 | K127-R131 WeakPolarHBondContact O-CA 3.34Å; K127-R131 VanDerWaalsContact O-CB 3.23Å; K127-R131 WeakPolarHBondContact O-CB 3.48Å; K127-R131 PolarHBondContact O-N 2.88Å; R131-V135 WeakPolarHBondContact O-CG2 3.4Å |
| 132 | Y | 98.8 | Very high | 98.5 | Very high | 23 Ų | 23 | 60 Ų | 60 | 9% | 0.09 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -102 | -57.4 | -165.5 | -60.5 | -76.1 | 0 | 0 | 0 | 112.6 | G98 L102 K127 A128 P134 V135 F136 | G98-Y132 WeakPolarHBondContact O-CE1 3.3Å; L102-Y132 HydrophobicContact CB-CD2 3.93Å; L102-Y132 HydrophobicContact CB-CE2 3.78Å; L102-Y132 HydrophobicContact CB-CG 4.38Å; L102-Y132 HydrophobicContact CD1-CD2 3.89Å; L102-Y132 HydrophobicContact CD1-CE2 3.93Å; L102-Y132 HydrophobicContact CD2-CD2 3.73Å; L102-Y132 HydrophobicContact CD2-CE2 4.4Å; L102-Y132 HydrophobicContact CD2-CG 4.01Å; L102-Y132 HydrophobicContact CG-CD2 4.06Å; L102-Y132 HydrophobicContact CG-CE2 4.25Å; K127-Y132 HydrophobicContact CB-CD2 4.49Å; K127-Y132 HydrophobicContact CB-CE2 4.17Å; K127-Y132 VanDerWaalsContact O-CD2 3.28Å; K127-Y132 WeakPolarHBondContact O-CD2 3.44Å; K127-Y132 PolarHBondContact O-N 2.9Å; A128-Y132 PolarHBondContact O-N 2.91Å; Y132-P134 VanDerWaalsContact C-CD 3.49Å; Y132-V135 WeakPolarHBondContact O-CB 3.4Å; Y132-V135 PolarHBondContact O-N 3.17Å; Y132-F136 WeakPolarHBondContact O-CD2 3.48Å; Y132-F136 PolarHBondContact O-N 3.41Å |
| 133 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.6 | -39.4 | -175.1 | -66.2 | -9.5 | 0 | 0 | 0 | 114 | L102 A128 V135 F136 E137 I164 L167 I174 L175 F178 L181 | L102-F133 HydrophobicContact CD2-CE1 4.32Å; A128-F133 HydrophobicContact CB-CD2 4.12Å; A128-F133 HydrophobicContact CB-CE1 4.27Å; A128-F133 HydrophobicContact CB-CE2 3.8Å; A128-F133 HydrophobicContact CB-CZ 3.89Å; A128-F133 WeakPolarHBondContact O-CB 3.42Å; A128-F133 WeakPolarHBondContact O-CG 3.38Å; A128-F133 PolarHBondContact O-N 3.26Å; F133-V135 PolarHBondContact O-N 2.75Å; F133-F136 PolarHBondContact O-N 2.85Å; F133-E137 WeakPolarHBondContact O-CB 3.05Å; F133-E137 PolarHBondContact O-N 2.63Å; F133-I164 HydrophobicContact CE1-CG1 4.03Å; F133-I164 HydrophobicContact CZ-CG1 4.13Å; F133-L167 HydrophobicContact CE1-CD1 4.27Å; F133-L167 HydrophobicContact CZ-CD1 3.67Å; F133-I174 HydrophobicContact CE2-CD1 3.92Å; F133-I174 HydrophobicContact CE2-CG1 3.9Å; F133-I174 HydrophobicContact CE2-CG2 4.13Å; F133-I174 HydrophobicContact CZ-CD1 4.39Å; F133-L175 HydrophobicContact CD2-CD2 3.87Å; F133-L175 HydrophobicContact CE2-CD2 3.6Å; F133-L175 HydrophobicContact CZ-CD2 4.08Å; F133-F178 HydrophobicContact CB-CD1 3.88Å; F133-F178 HydrophobicContact CB-CD2 4.11Å; F133-F178 HydrophobicContact CB-CE1 3.62Å; F133-F178 HydrophobicContact CB-CE2 3.87Å; F133-F178 HydrophobicContact CB-CG 4.12Å; F133-F178 HydrophobicContact CB-CZ 3.62Å; F133-F178 AromaticContact CD2-CD2 3.97Å; F133-F178 HydrophobicContact CD2-CD2 3.97Å; F133-F178 AromaticContact CD2-CE2 3.86Å; F133-F178 HydrophobicContact CD2-CE2 3.86Å; F133-F178 HydrophobicContact CD2-CZ 4.43Å; F133-F178 HydrophobicContact CG-CE2 4.41Å; F133-L181 HydrophobicContact CB-CD1 3.67Å; F133-L181 HydrophobicContact CD1-CD1 4.08Å; F133-L181 HydrophobicContact CG-CD1 3.87Å |
| 134 | P | 98.9 | Very high | 98.3 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.8 | -30 | 175.3 | -25.3 | 35.2 | 0 | 0 | 0 | 114 | I129 Y132 K138 F178 | I129-P134 VanDerWaalsContact O-CD 3.25Å; I129-P134 WeakPolarHBondContact O-CD 3.09Å; I129-P134 WeakPolarHBondContact O-CG 3.2Å; Y132-P134 VanDerWaalsContact C-CD 3.49Å; P134-K138 VanDerWaalsContact O-CB 3.27Å; P134-K138 WeakPolarHBondContact O-CB 3.24Å; P134-K138 PolarHBondContact O-N 3.07Å; P134-K138 VanDerWaalsContact O-N 3.14Å; P134-F178 HydrophobicContact CG-CE1 3.95Å; P134-F178 HydrophobicContact CG-CZ 4.26Å |
| 135 | V | 98.9 | Very high | 98.2 | Very high | 72 Ų | 72 | 63.9 Ų | 63.9 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69 | -53.2 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | R131 Y132 F133 K138 I139 | R131-V135 WeakPolarHBondContact O-CG2 3.4Å; Y132-V135 WeakPolarHBondContact O-CB 3.4Å; Y132-V135 PolarHBondContact O-N 3.17Å; F133-V135 PolarHBondContact O-N 2.75Å; V135-K138 PolarHBondContact O-N 2.93Å; V135-I139 HydrophobicContact CG1-CD1 3.85Å; V135-I139 WeakPolarHBondContact O-CD1 3.3Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.49Å; V135-I139 PolarHBondContact O-N 3.4Å |
| 136 | F | 98.9 | Very high | 98.1 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | -179.2 | -59.7 | -57.7 | 0 | 0 | 0 | 112.5 | Y95 T99 Y132 F133 K138 I139 L140 L148 L160 L181 | Y95-F136 HydrophobicContact CD1-CE1 4.22Å; Y95-F136 HydrophobicContact CD2-CE1 4.5Å; Y95-F136 AromaticContact CG-CE1 3.97Å; Y95-F136 HydrophobicContact CG-CE1 3.97Å; T99-F136 WeakPolarHBondContact OG1-CZ 3.44Å; Y132-F136 WeakPolarHBondContact O-CD2 3.48Å; Y132-F136 PolarHBondContact O-N 3.41Å; F133-F136 PolarHBondContact O-N 2.85Å; F136-K138 VanDerWaalsContact C-N 3.31Å; F136-K138 PolarHBondContact O-N 3.42Å; F136-I139 HydrophobicContact CD1-CD1 4.29Å; F136-I139 PolarHBondContact O-N 2.97Å; F136-L140 WeakPolarHBondContact O-CG 3.44Å; F136-L140 PolarHBondContact O-N 3.27Å; F136-L148 HydrophobicContact CB-CD2 4.34Å; F136-L148 HydrophobicContact CD1-CD1 4.22Å; F136-L148 HydrophobicContact CD1-CD2 3.87Å; F136-L148 HydrophobicContact CE1-CD1 4.37Å; F136-L148 HydrophobicContact CG-CD2 4.5Å; F136-L160 HydrophobicContact CB-CD2 4.02Å; F136-L160 HydrophobicContact CD1-CD2 4.04Å; F136-L160 HydrophobicContact CD2-CD1 3.74Å; F136-L160 HydrophobicContact CD2-CD2 3.87Å; F136-L160 HydrophobicContact CD2-CG 4.48Å; F136-L160 HydrophobicContact CE1-CD2 4.5Å; F136-L160 HydrophobicContact CE2-CD1 3.74Å; F136-L160 HydrophobicContact CE2-CD2 4.33Å; F136-L160 HydrophobicContact CG-CD1 4.43Å; F136-L160 HydrophobicContact CG-CD2 3.71Å; F136-L160 HydrophobicContact CZ-CD1 4.45Å; F136-L181 HydrophobicContact CB-CD2 3.95Å |
| 137 | E | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 11% | 0.112 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.5 | -45.8 | 173.8 | -174.2 | 73.8 | -179.3 | 0 | 0 | 111.2 | F133 R141 F178 P179 F180 L181 | F133-E137 WeakPolarHBondContact O-CB 3.05Å; F133-E137 PolarHBondContact O-N 2.63Å; E137-R141 VanDerWaalsContact O-CB 3.28Å; E137-R141 WeakPolarHBondContact O-CB 3.32Å; E137-R141 PolarHBondContact O-N 3.13Å; E137-F178 HydrophobicContact CB-CD1 3.95Å; E137-F178 HydrophobicContact CG-CD1 4.01Å; E137-F178 VanDerWaalsContact OE1-C 3.27Å; E137-F178 WeakPolarHBondContact OE1-CA 3.38Å; E137-F178 WeakPolarHBondContact OE2-CB 3.24Å; E137-P179 WeakPolarHBondContact OE1-CD 3.33Å; E137-P179 WeakPolarHBondContact OE1-CG 3.46Å; E137-P179 VanDerWaalsContact OE1-N 3.11Å; E137-F180 VanDerWaalsContact OE1-CD2 3.3Å; E137-F180 WeakPolarHBondContact OE1-CD2 3.44Å; E137-F180 PolarHBondContact OE1-N 3.03Å; E137-F180 WeakPolarHBondContact OE2-CB 3.42Å; E137-F180 PolarHBondContact OE2-N 3.4Å; E137-L181 WeakPolarHBondContact OE2-CG 3.49Å; E137-L181 PolarHBondContact OE2-N 3.43Å |
| 138 | K | 98.7 | Very high | 98.1 | Very high | 162 Ų | 162 | 60.8 Ų | 60.8 | 70% | 0.704 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.8 | -39 | 177.9 | -177.5 | 179.5 | 176.5 | -177 | 0 | 112.2 | P134 V135 F136 G142 | P134-K138 VanDerWaalsContact O-CB 3.27Å; P134-K138 WeakPolarHBondContact O-CB 3.24Å; P134-K138 PolarHBondContact O-N 3.07Å; P134-K138 VanDerWaalsContact O-N 3.14Å; V135-K138 PolarHBondContact O-N 2.93Å; F136-K138 VanDerWaalsContact C-N 3.31Å; F136-K138 PolarHBondContact O-N 3.42Å; K138-G142 WeakPolarHBondContact O-CA 3.36Å; K138-G142 PolarHBondContact O-N 3.41Å |
| 139 | I | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -55.6 | 176.8 | -72.4 | 161.3 | 0 | 0 | 0 | 109.6 | Y95 V135 F136 R141 G142 H143 L148 | Y95-I139 HydrophobicContact CE1-CD1 3.87Å; Y95-I139 HydrophobicContact CE2-CD1 4.06Å; Y95-I139 WeakPolarHBondContact OH-CD1 3.3Å; V135-I139 HydrophobicContact CG1-CD1 3.85Å; V135-I139 WeakPolarHBondContact O-CD1 3.3Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.49Å; V135-I139 PolarHBondContact O-N 3.4Å; F136-I139 HydrophobicContact CD1-CD1 4.29Å; F136-I139 PolarHBondContact O-N 2.97Å; I139-R141 VanDerWaalsContact C-N 3.34Å; I139-R141 PolarHBondContact O-N 2.82Å; I139-G142 PolarHBondContact O-N 2.78Å; I139-H143 WeakPolarHBondContact CG2-NE2 3.33Å; I139-H143 PolarHBondContact O-CD2 3.5Å; I139-H143 PolarHBondContact O-N 2.96Å; I139-H143 PolarHBondContact O-NE2 3.03Å; I139-L148 HydrophobicContact CG2-CD2 4.25Å |
| 140 | L | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.6 | -44.2 | -179.2 | -68.9 | 169.1 | 0 | 0 | 0 | 112 | F136 G142 G144 L148 F180 L181 Y184 | F136-L140 WeakPolarHBondContact O-CG 3.44Å; F136-L140 PolarHBondContact O-N 3.27Å; L140-G142 VanDerWaalsContact C-N 3.34Å; L140-G142 PolarHBondContact O-N 3.39Å; L140-G144 VanDerWaalsContact O-CA 3.3Å; L140-G144 WeakPolarHBondContact O-CA 3.46Å; L140-G144 PolarHBondContact O-N 3.44Å; L140-L148 HydrophobicContact CD2-CD2 4.13Å; L140-L148 HydrophobicContact CG-CD2 4.16Å; L140-F180 HydrophobicContact CB-CB 4.05Å; L140-L181 HydrophobicContact CD1-CD2 3.79Å; L140-L181 HydrophobicContact CD1-CG 4.34Å; L140-Y184 HydrophobicContact CD1-CD1 4.33Å; L140-Y184 HydrophobicContact CD1-CD2 3.96Å; L140-Y184 HydrophobicContact CD1-CG 3.76Å; L140-Y184 HydrophobicContact CD2-CD2 3.63Å; L140-Y184 HydrophobicContact CD2-CE2 4.11Å; L140-Y184 HydrophobicContact CD2-CG 4.29Å; L140-Y184 HydrophobicContact CG-CD2 4.46Å |
| 141 | R | 98.4 | Very high | 97.7 | Very high | 179 Ų | 179 | 57.4 Ų | 57.4 | 68% | 0.675 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.4 | -39.7 | 174.1 | -179.4 | 179 | 177.2 | -163.9 | -0.3 | 112.4 | E137 I139 F180 | E137-R141 VanDerWaalsContact O-CB 3.28Å; E137-R141 WeakPolarHBondContact O-CB 3.32Å; E137-R141 PolarHBondContact O-N 3.13Å; I139-R141 VanDerWaalsContact C-N 3.34Å; I139-R141 PolarHBondContact O-N 2.82Å; R141-F180 HydrophobicContact CB-CD1 4.32Å; R141-F180 HydrophobicContact CB-CD2 3.88Å; R141-F180 HydrophobicContact CB-CE1 4.19Å; R141-F180 HydrophobicContact CB-CE2 3.76Å; R141-F180 HydrophobicContact CB-CG 4.18Å; R141-F180 HydrophobicContact CB-CZ 3.92Å; R141-F180 HydrophobicContact CG-CD2 4.33Å; R141-F180 HydrophobicContact CG-CE1 4.32Å; R141-F180 HydrophobicContact CG-CE2 3.69Å; R141-F180 HydrophobicContact CG-CZ 3.68Å |
| 142 | G | 98.1 | Very high | 97.7 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 72% | 0.722 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.5 | -42.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K138 I139 L140 | K138-G142 WeakPolarHBondContact O-CA 3.36Å; K138-G142 PolarHBondContact O-N 3.41Å; I139-G142 PolarHBondContact O-N 2.78Å; L140-G142 VanDerWaalsContact C-N 3.34Å; L140-G142 PolarHBondContact O-N 3.39Å |
| 143 | H | 97.1 | Very high | 97.7 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -103.7 | -14.8 | 178.5 | 60.9 | 62.3 | 0 | 0 | 0 | 113.9 | I139 Q145 F147 | I139-H143 WeakPolarHBondContact CG2-NE2 3.33Å; I139-H143 PolarHBondContact O-CD2 3.5Å; I139-H143 PolarHBondContact O-N 2.96Å; I139-H143 PolarHBondContact O-NE2 3.03Å; H143-Q145 VanDerWaalsContact C-N 3.27Å; H143-Q145 HydrophobicContact CB-CG 4.32Å; H143-Q145 WeakPolarHBondContact ND1-CB 3.36Å; H143-Q145 WeakPolarHBondContact ND1-CG 3.5Å; H143-Q145 PolarHBondContact ND1-N 2.87Å; H143-Q145 PolarHBondContact O-N 3.13Å; H143-F147 PolarHBondContact CE1-O 3.45Å |
| 144 | G | 94.9 | Very high | 97.7 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | trans | 64.6 | 27.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L140 | L140-G144 VanDerWaalsContact O-CA 3.3Å; L140-G144 WeakPolarHBondContact O-CA 3.46Å; L140-G144 PolarHBondContact O-N 3.44Å | ||
| 145 | Q | 96.1 | Very high | 97.7 | Very high | 76 Ų | 76 | 51 Ų | 51 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | trans | -103.2 | 168.9 | -178.7 | -55.6 | 177.5 | -17.4 | 0 | 0 | 110.3 | H143 | H143-Q145 VanDerWaalsContact C-N 3.27Å; H143-Q145 HydrophobicContact CB-CG 4.32Å; H143-Q145 WeakPolarHBondContact ND1-CB 3.36Å; H143-Q145 WeakPolarHBondContact ND1-CG 3.5Å; H143-Q145 PolarHBondContact ND1-N 2.87Å; H143-Q145 PolarHBondContact O-N 3.13Å | ||
| 146 | N | 95.4 | Very high | 97.7 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -84.7 | -12.9 | -176.3 | -62.2 | -33.4 | 0 | 0 | 0 | 114.2 | Y184 K187 | N146-Y184 WeakPolarHBondContact O-CD2 3.48Å; N146-K187 HydrophobicContact CB-CD 4.32Å; N146-K187 WeakPolarHBondContact OD1-CD 3.34Å; N146-K187 WeakPolarHBondContact OD1-CE 3.47Å; N146-K187 PolarHBondContact OD1-NZ 3.34Å |
| 147 | F | 98.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -127.4 | 155.1 | -176.6 | -58.2 | -77.3 | 0 | 0 | 0 | 109.6 | H143 V149 Q152 L153 L188 I191 | H143-F147 PolarHBondContact CE1-O 3.45Å; F147-V149 VanDerWaalsContact C-N 3.3Å; F147-V149 PolarHBondContact O-N 2.65Å; F147-Q152 VanDerWaalsContact CB-O 3.3Å; F147-Q152 WeakPolarHBondContact CB-O 3.39Å; F147-Q152 VanDerWaalsContact CD2-N 3.34Å; F147-Q152 WeakPolarHBondContact CG-O 3.43Å; F147-L153 HydrophobicContact CD1-CB 4.25Å; F147-L153 HydrophobicContact CD1-CD1 4.26Å; F147-L153 HydrophobicContact CE1-CB 3.83Å; F147-L153 HydrophobicContact CE1-CD1 3.97Å; F147-L153 HydrophobicContact CZ-CB 4.48Å; F147-L188 HydrophobicContact CD1-CD2 3.83Å; F147-L188 HydrophobicContact CE1-CD2 3.62Å; F147-I191 HydrophobicContact CE1-CD1 3.93Å; F147-I191 HydrophobicContact CZ-CD1 4.33Å |
| 148 | L | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -65.2 | -32.3 | -179 | -69.1 | 172.8 | 0 | 0 | 0 | 113.1 | Y95 F136 I139 L140 A156 D157 L160 Y184 | Y95-L148 HydrophobicContact CD2-CB 4.34Å; Y95-L148 HydrophobicContact CD2-CD1 4.46Å; Y95-L148 HydrophobicContact CE2-CB 4.49Å; F136-L148 HydrophobicContact CB-CD2 4.34Å; F136-L148 HydrophobicContact CD1-CD1 4.22Å; F136-L148 HydrophobicContact CD1-CD2 3.87Å; F136-L148 HydrophobicContact CE1-CD1 4.37Å; F136-L148 HydrophobicContact CG-CD2 4.5Å; I139-L148 HydrophobicContact CG2-CD2 4.25Å; L140-L148 HydrophobicContact CD2-CD2 4.13Å; L140-L148 HydrophobicContact CG-CD2 4.16Å; L148-A156 HydrophobicContact CD1-CB 3.92Å; L148-D157 WeakPolarHBondContact CG-OD1 3.4Å; L148-D157 PolarHBondContact N-OD1 3.31Å; L148-L160 HydrophobicContact CD1-CB 4.49Å; L148-L160 HydrophobicContact CD1-CD2 3.86Å; L148-L160 HydrophobicContact CD2-CD2 4.34Å; L148-Y184 HydrophobicContact CG-CE2 4.29Å |
| 149 | V | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -141.5 | 137.9 | -174.3 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | E88 L91 I92 Y95 F147 N151 Q152 | E88-V149 HydrophobicContact CB-CG1 3.64Å; E88-V149 HydrophobicContact CG-CG1 3.71Å; L91-V149 HydrophobicContact CB-CG2 4.05Å; I92-V149 HydrophobicContact CD1-CB 4.32Å; I92-V149 HydrophobicContact CD1-CG1 4.19Å; I92-V149 HydrophobicContact CG1-CB 3.95Å; I92-V149 HydrophobicContact CG1-CG1 4.1Å; I92-V149 HydrophobicContact CG1-CG2 3.84Å; Y95-V149 HydrophobicContact CD2-CG2 4.04Å; Y95-V149 HydrophobicContact CE2-CG2 3.71Å; F147-V149 VanDerWaalsContact C-N 3.3Å; F147-V149 PolarHBondContact O-N 2.65Å; V149-N151 PolarHBondContact O-N 2.62Å; V149-Q152 PolarHBondContact O-N 2.66Å |
| 150 | G | 93.8 | Very high | 97.7 | Very high | 26 Ų | 26 | 37 Ų | 37 | 27% | 0.268 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 13.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | E88 Q152 | E88-G150 WeakPolarHBondContact OE1-CA 3.46Å; G150-Q152 PolarHBondContact O-N 3.15Å |
| 151 | N | 95.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 34.9 | -174.6 | -163.6 | 36.8 | 0 | 0 | 0 | 114.4 | V149 | V149-N151 PolarHBondContact O-N 2.62Š|
| 152 | Q | 97.6 | Very high | 97.8 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -146.2 | 158.8 | 175.3 | 64.2 | 179.5 | 36.2 | 0 | 0 | 110.5 | F147 V149 G150 S154 | F147-Q152 VanDerWaalsContact CB-O 3.3Å; F147-Q152 WeakPolarHBondContact CB-O 3.39Å; F147-Q152 VanDerWaalsContact CD2-N 3.34Å; F147-Q152 WeakPolarHBondContact CG-O 3.43Å; V149-Q152 PolarHBondContact O-N 2.66Å; G150-Q152 PolarHBondContact O-N 3.15Å; Q152-S154 PolarHBondContact O-N 3.2Å |
| 153 | L | 98.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 14% | 0.141 | 15% | 0.148 | C | C | . | . | trans | -60.1 | 131.5 | 177.7 | -172.4 | 70.8 | 0 | 0 | 0 | 110.8 | A25 L81 F147 D157 V158 L188 I191 I194 | A25-L153 HydrophobicContact CB-CD2 4.31Å; L81-L153 HydrophobicContact CD2-CB 4.35Å; L81-L153 HydrophobicContact CD2-CD2 4.15Å; L81-L153 HydrophobicContact CD2-CG 4.13Å; L81-L153 WeakPolarHBondContact CD2-O 3.38Å; F147-L153 HydrophobicContact CD1-CB 4.25Å; F147-L153 HydrophobicContact CD1-CD1 4.26Å; F147-L153 HydrophobicContact CE1-CB 3.83Å; F147-L153 HydrophobicContact CE1-CD1 3.97Å; F147-L153 HydrophobicContact CZ-CB 4.48Å; L153-D157 HydrophobicContact CD1-CB 3.76Å; L153-V158 HydrophobicContact CD1-CG2 4.17Å; L153-V158 HydrophobicContact CD2-CG2 4.32Å; L153-V158 HydrophobicContact CG-CG2 4.3Å; L153-L188 HydrophobicContact CD1-CD2 4.12Å; L153-I191 HydrophobicContact CD1-CD1 3.98Å; L153-I194 HydrophobicContact CD1-CD1 4.4Å | ||
| 154 | S | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | trans | -127.5 | 169.9 | 177.2 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | L81 Q152 A156 D157 V158 | L81-S154 CarbonylContact O-C 3.57Å; L81-S154 VanDerWaalsContact O-CA 3.27Å; L81-S154 WeakPolarHBondContact O-CA 3.31Å; Q152-S154 PolarHBondContact O-N 3.2Å; S154-A156 PolarHBondContact O-N 3.4Å; S154-A156 PolarHBondContact OG-N 2.72Å; S154-D157 WeakPolarHBondContact CA-OD2 3.35Å; S154-D157 WeakPolarHBondContact CB-OD2 3.45Å; S154-D157 PolarHBondContact N-OD2 2.98Å; S154-D157 WeakPolarHBondContact O-CB 3.43Å; S154-D157 PolarHBondContact O-N 3.34Å; S154-D157 VanDerWaalsContact O-N 3.12Å; S154-D157 PolarHBondContact OG-N 3.35Å; S154-D157 PolarHBondContact OG-OD2 3.38Å; S154-V158 PolarHBondContact O-N 3.1Å | ||
| 155 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57 | -38.8 | 172.6 | 179.5 | 61.6 | 0 | 0 | 0 | 111.4 | V22 L72 A76 L81 I92 V96 D157 V158 I159 | V22-L155 HydrophobicContact CB-CD1 4.44Å; V22-L155 HydrophobicContact CG1-CD1 4.16Å; V22-L155 HydrophobicContact CG2-CD1 3.37Å; L72-L155 HydrophobicContact CB-CD1 4.24Å; L72-L155 HydrophobicContact CB-CD2 4.11Å; L72-L155 HydrophobicContact CD2-CD1 4.35Å; A76-L155 HydrophobicContact CB-CB 4.03Å; A76-L155 HydrophobicContact CB-CD2 4.02Å; A76-L155 HydrophobicContact CB-CG 4.44Å; L81-L155 PolarHBondContact O-N 2.94Å; I92-L155 HydrophobicContact CG2-CB 4.03Å; V96-L155 HydrophobicContact CG1-CD2 4.26Å; V96-L155 HydrophobicContact CG2-CB 4.17Å; V96-L155 HydrophobicContact CG2-CD2 3.93Å; V96-L155 HydrophobicContact CG2-CG 3.65Å; L155-D157 VanDerWaalsContact C-N 3.26Å; L155-D157 PolarHBondContact O-N 3.5Å; L155-V158 PolarHBondContact O-N 2.88Å; L155-I159 HydrophobicContact CD1-CD1 4.26Å; L155-I159 HydrophobicContact CD1-CG1 3.87Å; L155-I159 HydrophobicContact CG-CG1 4.24Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.47Å; L155-I159 PolarHBondContact O-N 3.3Å |
| 156 | A | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60 | -39.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I92 Y95 V96 L148 S154 L160 | I92-A156 HydrophobicContact CG2-CB 4.09Å; Y95-A156 HydrophobicContact CD2-CB 4.31Å; V96-A156 HydrophobicContact CG2-CB 4.08Å; L148-A156 HydrophobicContact CD1-CB 3.92Å; S154-A156 PolarHBondContact O-N 3.4Å; S154-A156 PolarHBondContact OG-N 2.72Å; A156-L160 VanDerWaalsContact O-CB 3.25Å; A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 PolarHBondContact O-N 2.7Å |
| 157 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | -178.9 | -60.4 | -71.4 | 0 | 0 | 0 | 111.9 | L148 L153 S154 L155 L160 L161 Y184 L188 | L148-D157 WeakPolarHBondContact CG-OD1 3.4Å; L148-D157 PolarHBondContact N-OD1 3.31Å; L153-D157 HydrophobicContact CD1-CB 3.76Å; S154-D157 WeakPolarHBondContact CA-OD2 3.35Å; S154-D157 WeakPolarHBondContact CB-OD2 3.45Å; S154-D157 PolarHBondContact N-OD2 2.98Å; S154-D157 WeakPolarHBondContact O-CB 3.43Å; S154-D157 PolarHBondContact O-N 3.34Å; S154-D157 VanDerWaalsContact O-N 3.12Å; S154-D157 PolarHBondContact OG-N 3.35Å; S154-D157 PolarHBondContact OG-OD2 3.38Å; L155-D157 VanDerWaalsContact C-N 3.26Å; L155-D157 PolarHBondContact O-N 3.5Å; D157-L160 PolarHBondContact O-N 2.89Å; D157-L161 WeakPolarHBondContact O-CB 3.35Å; D157-L161 PolarHBondContact O-N 3.48Å; D157-Y184 WeakPolarHBondContact CA-OH 3.3Å; D157-Y184 WeakPolarHBondContact CB-OH 3.42Å; D157-Y184 PolarHBondContact O-OH 3.32Å; D157-Y184 WeakPolarHBondContact OD1-CE2 3.34Å; D157-Y184 PolarHBondContact OD1-OH 2.95Å; D157-Y184 VanDerWaalsContact OD1-OH 3.07Å; D157-L188 HydrophobicContact CB-CD1 3.87Å |
| 158 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | -179.2 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | W21 V22 A25 L153 S154 L155 L161 Q162 | W21-V158 HydrophobicContact CB-CG1 3.84Å; W21-V158 HydrophobicContact CE3-CG1 4.35Å; V22-V158 HydrophobicContact CG2-CB 4.33Å; V22-V158 HydrophobicContact CG2-CG1 3.8Å; A25-V158 HydrophobicContact CB-CG1 4.28Å; A25-V158 HydrophobicContact CB-CG2 3.72Å; L153-V158 HydrophobicContact CD1-CG2 4.17Å; L153-V158 HydrophobicContact CD2-CG2 4.32Å; L153-V158 HydrophobicContact CG-CG2 4.3Å; S154-V158 PolarHBondContact O-N 3.1Å; L155-V158 PolarHBondContact O-N 2.88Å; V158-L161 PolarHBondContact O-N 3.26Å; V158-Q162 PolarHBondContact O-N 3.04Å |
| 159 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | -179.6 | -59.7 | -60 | 0 | 0 | 0 | 110.8 | V22 L72 T99 L100 L155 Q162 T163 | V22-I159 HydrophobicContact CG2-CD1 4.18Å; L72-I159 HydrophobicContact CD1-CD1 4.21Å; L72-I159 HydrophobicContact CD2-CD1 4.31Å; T99-I159 HydrophobicContact CG2-CG2 3.73Å; L100-I159 HydrophobicContact CD2-CG2 3.92Å; L100-I159 HydrophobicContact CG-CG2 4.29Å; L155-I159 HydrophobicContact CD1-CD1 4.26Å; L155-I159 HydrophobicContact CD1-CG1 3.87Å; L155-I159 HydrophobicContact CG-CG1 4.24Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.47Å; L155-I159 PolarHBondContact O-N 3.3Å; I159-Q162 PolarHBondContact O-N 3.03Å; I159-T163 PolarHBondContact O-N 2.98Å; I159-T163 PolarHBondContact O-OG1 3.2Å; I159-T163 VanDerWaalsContact O-OG1 3.13Å |
| 160 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.2 | -177.9 | 59.8 | 0 | 0 | 0 | 111.9 | T99 F136 L148 A156 D157 T163 I164 L181 Y184 | T99-L160 HydrophobicContact CG2-CD1 4.33Å; F136-L160 HydrophobicContact CB-CD2 4.02Å; F136-L160 HydrophobicContact CD1-CD2 4.04Å; F136-L160 HydrophobicContact CD2-CD1 3.74Å; F136-L160 HydrophobicContact CD2-CD2 3.87Å; F136-L160 HydrophobicContact CD2-CG 4.48Å; F136-L160 HydrophobicContact CE1-CD2 4.5Å; F136-L160 HydrophobicContact CE2-CD1 3.74Å; F136-L160 HydrophobicContact CE2-CD2 4.33Å; F136-L160 HydrophobicContact CG-CD1 4.43Å; F136-L160 HydrophobicContact CG-CD2 3.71Å; F136-L160 HydrophobicContact CZ-CD1 4.45Å; L148-L160 HydrophobicContact CD1-CB 4.49Å; L148-L160 HydrophobicContact CD1-CD2 3.86Å; L148-L160 HydrophobicContact CD2-CD2 4.34Å; A156-L160 VanDerWaalsContact O-CB 3.25Å; A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 PolarHBondContact O-N 2.7Å; D157-L160 PolarHBondContact O-N 2.89Å; L160-T163 PolarHBondContact O-N 2.94Å; L160-I164 HydrophobicContact CD1-CD1 4Å; L160-I164 HydrophobicContact CD1-CG1 4.14Å; L160-I164 HydrophobicContact CD2-CD1 4.44Å; L160-I164 HydrophobicContact CG-CD1 3.82Å; L160-I164 HydrophobicContact CG-CG1 4.38Å; L160-I164 WeakPolarHBondContact O-CB 3.43Å; L160-I164 WeakPolarHBondContact O-CG1 3.34Å; L160-I164 PolarHBondContact O-N 2.87Å; L160-L181 HydrophobicContact CD2-CD2 4.12Å; L160-Y184 HydrophobicContact CD2-CE1 3.94Å; L160-Y184 HydrophobicContact CG-CE1 4.36Å |
| 161 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 177 | 179.3 | 63.7 | 0 | 0 | 0 | 111.7 | W21 D157 V158 T163 I164 L165 T185 L188 I194 | W21-L161 HydrophobicContact CH2-CD2 4.31Å; W21-L161 HydrophobicContact CH2-CG 4.33Å; W21-L161 HydrophobicContact CZ3-CD2 3.81Å; W21-L161 HydrophobicContact CZ3-CG 4.15Å; D157-L161 WeakPolarHBondContact O-CB 3.35Å; D157-L161 PolarHBondContact O-N 3.48Å; V158-L161 PolarHBondContact O-N 3.26Å; L161-T163 VanDerWaalsContact C-N 3.3Å; L161-T163 PolarHBondContact O-N 3.33Å; L161-I164 PolarHBondContact O-N 3.05Å; L161-L165 HydrophobicContact CD1-CD1 3.92Å; L161-L165 HydrophobicContact CD1-CG 4.03Å; L161-L165 HydrophobicContact CG-CD1 4Å; L161-L165 HydrophobicContact CG-CG 4.45Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 3.01Å; L161-T185 HydrophobicContact CD1-CG2 3.76Å; L161-L188 HydrophobicContact CB-CD1 4.24Å; L161-L188 HydrophobicContact CD1-CB 4.47Å; L161-L188 HydrophobicContact CD2-CB 3.82Å; L161-I194 HydrophobicContact CD2-CD1 4.2Å; L161-I194 HydrophobicContact CD2-CG2 3.69Å |
| 162 | Q | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.2 | -48.7 | 175.3 | 173.4 | -172.5 | 3.8 | 0 | 0 | 111.2 | S18 W21 V158 I159 A166 | S18-Q162 PolarHBondContact OG-NE2 3.24Å; S18-Q162 PolarHBondContact OG-OE1 3.24Å; W21-Q162 HydrophobicContact CD2-CB 3.98Å; W21-Q162 HydrophobicContact CD2-CG 4.4Å; W21-Q162 HydrophobicContact CG-CB 4.07Å; W21-Q162 HydrophobicContact CG-CG 4.2Å; W21-Q162 HydrophobicContact CZ2-CB 4.42Å; V158-Q162 PolarHBondContact O-N 3.04Å; I159-Q162 PolarHBondContact O-N 3.03Å; Q162-A166 VanDerWaalsContact O-CB 3.32Å; Q162-A166 WeakPolarHBondContact O-CB 3.21Å; Q162-A166 PolarHBondContact O-N 3.41Å |
| 163 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | -177.2 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | T99 L102 L103 I159 L160 L161 A166 L167 | T99-T163 HydrophobicContact CG2-CG2 4.19Å; T99-T163 WeakPolarHBondContact CG2-OG1 3.44Å; L102-T163 HydrophobicContact CB-CG2 4.42Å; L102-T163 HydrophobicContact CD2-CG2 3.86Å; L102-T163 HydrophobicContact CG-CG2 3.96Å; L103-T163 HydrophobicContact CB-CG2 4.47Å; I159-T163 PolarHBondContact O-N 2.98Å; I159-T163 PolarHBondContact O-OG1 3.2Å; I159-T163 VanDerWaalsContact O-OG1 3.13Å; L160-T163 PolarHBondContact O-N 2.94Å; L161-T163 VanDerWaalsContact C-N 3.3Å; L161-T163 PolarHBondContact O-N 3.33Å; T163-A166 PolarHBondContact O-N 3.37Å; T163-L167 HydrophobicContact CG2-CD1 3.96Å; T163-L167 WeakPolarHBondContact O-CB 3.3Å; T163-L167 VanDerWaalsContact O-CG 3.3Å; T163-L167 WeakPolarHBondContact O-CG 3.35Å; T163-L167 PolarHBondContact O-N 3.06Å |
| 164 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59 | -54.1 | 175.6 | -75 | 170.9 | 0 | 0 | 0 | 110.6 | F133 L160 L161 A166 L167 E168 L175 L181 T185 | F133-I164 HydrophobicContact CE1-CG1 4.03Å; F133-I164 HydrophobicContact CZ-CG1 4.13Å; L160-I164 HydrophobicContact CD1-CD1 4Å; L160-I164 HydrophobicContact CD1-CG1 4.14Å; L160-I164 HydrophobicContact CD2-CD1 4.44Å; L160-I164 HydrophobicContact CG-CD1 3.82Å; L160-I164 HydrophobicContact CG-CG1 4.38Å; L160-I164 WeakPolarHBondContact O-CB 3.43Å; L160-I164 WeakPolarHBondContact O-CG1 3.34Å; L160-I164 PolarHBondContact O-N 2.87Å; L161-I164 PolarHBondContact O-N 3.05Å; I164-A166 VanDerWaalsContact C-N 3.29Å; I164-A166 PolarHBondContact O-N 3.02Å; I164-L167 WeakPolarHBondContact O-CB 3.31Å; I164-L167 PolarHBondContact O-N 2.89Å; I164-E168 HydrophobicContact CG2-CG 4.47Å; I164-E168 PolarHBondContact O-N 3.47Å; I164-L175 HydrophobicContact CG2-CD1 3.62Å; I164-L175 HydrophobicContact CG2-CG 4.23Å; I164-L181 HydrophobicContact CD1-CD2 4.09Å; I164-T185 HydrophobicContact CG2-CG2 4.09Å |
| 165 | L | 98.9 | Very high | 98.8 | Very high | 33 Ų | 33 | 25.4 Ų | 25.4 | 17% | 0.173 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.4 | -37.7 | -176.4 | -64.9 | 175.4 | 0 | 0 | 0 | 111.7 | W21 L161 L167 E168 E169 T185 L198 | W21-L165 HydrophobicContact CH2-CD1 3.66Å; W21-L165 HydrophobicContact CZ2-CD1 4.17Å; L161-L165 HydrophobicContact CD1-CD1 3.92Å; L161-L165 HydrophobicContact CD1-CG 4.03Å; L161-L165 HydrophobicContact CG-CD1 4Å; L161-L165 HydrophobicContact CG-CG 4.45Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 3.01Å; L165-L167 VanDerWaalsContact C-N 3.34Å; L165-E168 PolarHBondContact O-N 3.23Å; L165-E169 WeakPolarHBondContact O-CG 3.01Å; L165-E169 PolarHBondContact O-N 3.12Å; L165-T185 HydrophobicContact CD2-CG2 4.11Å; L165-L198 HydrophobicContact CD1-CD1 4.44Å; L165-L198 HydrophobicContact CD1-CD2 3.91Å |
| 166 | A | 98.8 | Very high | 98.7 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70 | -28.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L106 Q162 T163 I164 | L106-A166 HydrophobicContact CD1-CB 3.57Å; Q162-A166 VanDerWaalsContact O-CB 3.32Å; Q162-A166 WeakPolarHBondContact O-CB 3.21Å; Q162-A166 PolarHBondContact O-N 3.41Å; T163-A166 PolarHBondContact O-N 3.37Å; I164-A166 VanDerWaalsContact C-N 3.29Å; I164-A166 PolarHBondContact O-N 3.02Å |
| 167 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.6 | -41.9 | 170.5 | -76.2 | 166.6 | 0 | 0 | 0 | 111.3 | L102 L106 M124 A128 F133 T163 I164 L165 E169 K170 I171 I174 | L102-L167 HydrophobicContact CD2-CD1 3.9Å; L102-L167 HydrophobicContact CG-CD1 4.3Å; L106-L167 HydrophobicContact CD1-CD2 4.14Å; L106-L167 HydrophobicContact CD1-CG 3.97Å; L106-L167 HydrophobicContact CD2-CD2 4.41Å; L106-L167 HydrophobicContact CG-CD2 4.31Å; M124-L167 HydrophobicContact CB-CD2 4.21Å; M124-L167 HydrophobicContact SD-CD2 4.4Å; A128-L167 HydrophobicContact CB-CD1 4Å; F133-L167 HydrophobicContact CE1-CD1 4.27Å; F133-L167 HydrophobicContact CZ-CD1 3.67Å; T163-L167 HydrophobicContact CG2-CD1 3.96Å; T163-L167 WeakPolarHBondContact O-CB 3.3Å; T163-L167 VanDerWaalsContact O-CG 3.3Å; T163-L167 WeakPolarHBondContact O-CG 3.35Å; T163-L167 PolarHBondContact O-N 3.06Å; I164-L167 WeakPolarHBondContact O-CB 3.31Å; I164-L167 PolarHBondContact O-N 2.89Å; L165-L167 VanDerWaalsContact C-N 3.34Å; L167-E169 VanDerWaalsContact C-N 3.28Å; L167-E169 PolarHBondContact O-N 3.33Å; L167-K170 CarbonylContact O-C 3.53Å; L167-K170 PolarHBondContact O-N 3.43Å; L167-I171 PolarHBondContact O-N 3.19Å; L167-I174 HydrophobicContact CB-CD1 3.93Å; L167-I174 HydrophobicContact CB-CG2 4.4Å; L167-I174 HydrophobicContact CD1-CD1 4.11Å; L167-I174 HydrophobicContact CD2-CD1 4.21Å; L167-I174 HydrophobicContact CG-CD1 4.31Å |
| 168 | E | 98.8 | Very high | 98.7 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.2 | -31.9 | 177.6 | -74.2 | -176.2 | 142.4 | 0 | 0 | 112.7 | I164 L165 K170 I171 P172 I174 | I164-E168 HydrophobicContact CG2-CG 4.47Å; I164-E168 PolarHBondContact O-N 3.47Å; L165-E168 PolarHBondContact O-N 3.23Å; E168-K170 PolarHBondContact O-N 3.29Å; E168-I171 CarbonylContact O-C 3.59Å; E168-I171 PolarHBondContact O-N 3.1Å; E168-P172 VanDerWaalsContact O-CA 3.31Å; E168-P172 WeakPolarHBondContact O-CA 3.35Å; E168-I174 HydrophobicContact CG-CG2 3.84Å |
| 169 | E | 98.6 | Very high | 98.7 | Very high | 88 Ų | 88 | 37.7 Ų | 37.7 | 41% | 0.411 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.2 | 170.6 | -75 | 168.7 | 174.9 | 0 | 0 | 112.9 | R13 L165 L167 K204 | R13-E169 IonicContact CZ-OE1 2.73Å; R13-E169 IonicContact CZ-OE2 3.19Å; R13-E169 IonicContact NH1-OE1 3.91Å; R13-E169 IonicContact NH1-OE2 3.62Å; R13-E169 PolarHBondContact NH1-OE2 3.49Å; R13-E169 IonicContact NH2-OE1 3.62Å; R13-E169 PolarHBondContact NH2-OE1 3.1Å; R13-E169 IonicContact NH2-OE2 2.67Å; R13-E169 PolarHBondContact NH2-OE2 3.01Å; L165-E169 WeakPolarHBondContact O-CG 3.01Å; L165-E169 PolarHBondContact O-N 3.12Å; L167-E169 VanDerWaalsContact C-N 3.28Å; L167-E169 PolarHBondContact O-N 3.33Å; E169-K204 IonicContact OE1-NZ 3.17Å |
| 170 | K | 98.1 | Very high | 98.7 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -33.4 | 176.6 | -66.8 | -176.4 | -179 | -76.1 | 0 | 113.2 | L106 H109 V121 L167 E168 | L106-K170 HydrophobicContact CD2-CD 3.65Å; H109-K170 PolarHBondContact CE1-NZ 3.4Å; H109-K170 VanDerWaalsContact CE1-NZ 3.29Å; H109-K170 PolarHBondContact ND1-NZ 3.35Å; V121-K170 HydrophobicContact CG2-CD 4.37Å; L167-K170 CarbonylContact O-C 3.53Å; L167-K170 PolarHBondContact O-N 3.43Å; E168-K170 PolarHBondContact O-N 3.29Å |
| 171 | I | 98.5 | Very high | 98.7 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | trans | -136.1 | 80.4 | -172.1 | -52.1 | 152.2 | 0 | 0 | 0 | 107.7 | V121 A125 L167 E168 N173 I174 | V121-I171 HydrophobicContact CG1-CD1 4.03Å; V121-I171 HydrophobicContact CG1-CG1 3.82Å; A125-I171 HydrophobicContact CB-CD1 3.71Å; L167-I171 PolarHBondContact O-N 3.19Å; E168-I171 CarbonylContact O-C 3.59Å; E168-I171 PolarHBondContact O-N 3.1Å; I171-N173 PolarHBondContact O-N 2.97Å; I171-I174 HydrophobicContact CB-CB 4.08Å; I171-I174 HydrophobicContact CB-CD1 4.4Å; I171-I174 HydrophobicContact CB-CG1 4.49Å; I171-I174 HydrophobicContact CD1-CD1 3.9Å; I171-I174 HydrophobicContact CG2-CB 3.8Å; I171-I174 HydrophobicContact CG2-CG1 4.16Å; I171-I174 WeakPolarHBondContact O-CB 3.37Å; I171-I174 PolarHBondContact O-N 3.12Å; I171-I174 VanDerWaalsContact O-N 3.07Å | ||
| 172 | P | 98.4 | Very high | 98.7 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 68% | 0.682 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.6 | -168.5 | -27.9 | 36.3 | 0 | 0 | 0 | 115.7 | E168 | E168-P172 VanDerWaalsContact O-CA 3.31Å; E168-P172 WeakPolarHBondContact O-CA 3.35Å |
| 173 | N | 98.1 | Very high | 98.6 | Very high | 111 Ų | 111 | 49.6 Ų | 49.6 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 13.7 | -178.7 | 67.1 | -24.5 | 0 | 0 | 0 | 113.7 | I171 L175 S176 | I171-N173 PolarHBondContact O-N 2.97Å; N173-L175 PolarHBondContact O-N 3.31Å; N173-L175 VanDerWaalsContact O-N 3.15Å; N173-S176 VanDerWaalsContact O-CB 3.29Å; N173-S176 WeakPolarHBondContact O-CB 3.47Å; N173-S176 PolarHBondContact O-N 3.17Å; N173-S176 PolarHBondContact O-OG 3.25Å |
| 174 | I | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.2 | -172.8 | -156.6 | 177.2 | 0 | 0 | 0 | 113.4 | A128 I129 F133 L167 E168 I171 | A128-I174 HydrophobicContact CB-CD1 3.79Å; I129-I174 HydrophobicContact CG2-CG1 4.05Å; F133-I174 HydrophobicContact CE2-CD1 3.92Å; F133-I174 HydrophobicContact CE2-CG1 3.9Å; F133-I174 HydrophobicContact CE2-CG2 4.13Å; F133-I174 HydrophobicContact CZ-CD1 4.39Å; L167-I174 HydrophobicContact CB-CD1 3.93Å; L167-I174 HydrophobicContact CB-CG2 4.4Å; L167-I174 HydrophobicContact CD1-CD1 4.11Å; L167-I174 HydrophobicContact CD2-CD1 4.21Å; L167-I174 HydrophobicContact CG-CD1 4.31Å; E168-I174 HydrophobicContact CG-CG2 3.84Å; I171-I174 HydrophobicContact CB-CB 4.08Å; I171-I174 HydrophobicContact CB-CD1 4.4Å; I171-I174 HydrophobicContact CB-CG1 4.49Å; I171-I174 HydrophobicContact CD1-CD1 3.9Å; I171-I174 HydrophobicContact CG2-CB 3.8Å; I171-I174 HydrophobicContact CG2-CG1 4.16Å; I171-I174 WeakPolarHBondContact O-CB 3.37Å; I171-I174 PolarHBondContact O-N 3.12Å; I171-I174 VanDerWaalsContact O-N 3.07Å |
| 175 | L | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0.1 | 178.2 | -69.4 | -168.3 | 0 | 0 | 0 | 114.9 | F133 I164 N173 A177 F178 L181 Q182 | F133-L175 HydrophobicContact CD2-CD2 3.87Å; F133-L175 HydrophobicContact CE2-CD2 3.6Å; F133-L175 HydrophobicContact CZ-CD2 4.08Å; I164-L175 HydrophobicContact CG2-CD1 3.62Å; I164-L175 HydrophobicContact CG2-CG 4.23Å; N173-L175 PolarHBondContact O-N 3.31Å; N173-L175 VanDerWaalsContact O-N 3.15Å; L175-A177 PolarHBondContact O-N 3.05Å; L175-F178 HydrophobicContact CD2-CB 4.44Å; L175-F178 WeakPolarHBondContact O-CA 3.11Å; L175-F178 PolarHBondContact O-N 2.69Å; L175-L181 HydrophobicContact CD1-CB 4.44Å; L175-L181 HydrophobicContact CD2-CB 4.06Å; L175-L181 HydrophobicContact CD2-CD1 4.2Å; L175-Q182 HydrophobicContact CB-CG 3.83Å; L175-Q182 HydrophobicContact CD1-CG 4.36Å; L175-Q182 PolarHBondContact O-NE2 3.49Å |
| 176 | S | 98.4 | Very high | 98.6 | Very high | 88 Ų | 88 | 53 Ų | 53 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.3 | -172.2 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | N173 | N173-S176 VanDerWaalsContact O-CB 3.29Å; N173-S176 WeakPolarHBondContact O-CB 3.47Å; N173-S176 PolarHBondContact O-N 3.17Å; N173-S176 PolarHBondContact O-OG 3.25Å |
| 177 | A | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 3.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | L175 P179 | L175-A177 PolarHBondContact O-N 3.05Å; A177-P179 WeakPolarHBondContact O-CD 3.27Å |
| 178 | F | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | trans | -125.9 | 71 | -171.2 | -57.7 | -77.6 | 0 | 0 | 0 | 111.4 | I129 F133 P134 E137 L175 F180 L181 Q182 | I129-F178 HydrophobicContact CB-CE2 4.12Å; I129-F178 HydrophobicContact CB-CZ 4.17Å; I129-F178 HydrophobicContact CG2-CE2 4.03Å; F133-F178 HydrophobicContact CB-CD1 3.88Å; F133-F178 HydrophobicContact CB-CD2 4.11Å; F133-F178 HydrophobicContact CB-CE1 3.62Å; F133-F178 HydrophobicContact CB-CE2 3.87Å; F133-F178 HydrophobicContact CB-CG 4.12Å; F133-F178 HydrophobicContact CB-CZ 3.62Å; F133-F178 AromaticContact CD2-CD2 3.97Å; F133-F178 HydrophobicContact CD2-CD2 3.97Å; F133-F178 AromaticContact CD2-CE2 3.86Å; F133-F178 HydrophobicContact CD2-CE2 3.86Å; F133-F178 HydrophobicContact CD2-CZ 4.43Å; F133-F178 HydrophobicContact CG-CE2 4.41Å; P134-F178 HydrophobicContact CG-CE1 3.95Å; P134-F178 HydrophobicContact CG-CZ 4.26Å; E137-F178 HydrophobicContact CB-CD1 3.95Å; E137-F178 HydrophobicContact CG-CD1 4.01Å; E137-F178 VanDerWaalsContact OE1-C 3.27Å; E137-F178 WeakPolarHBondContact OE1-CA 3.38Å; E137-F178 WeakPolarHBondContact OE2-CB 3.24Å; L175-F178 HydrophobicContact CD2-CB 4.44Å; L175-F178 WeakPolarHBondContact O-CA 3.11Å; L175-F178 PolarHBondContact O-N 2.69Å; F178-F180 VanDerWaalsContact C-N 3.33Å; F178-F180 PolarHBondContact O-N 3.41Å; F178-L181 HydrophobicContact CB-CB 3.93Å; F178-L181 HydrophobicContact CB-CD1 3.94Å; F178-L181 HydrophobicContact CB-CG 4.34Å; F178-L181 HydrophobicContact CD1-CD1 4.34Å; F178-L181 HydrophobicContact CG-CD1 4.18Å; F178-L181 PolarHBondContact O-N 3.1Å; F178-Q182 WeakPolarHBondContact O-CG 3.41Å; F178-Q182 PolarHBondContact O-N 2.88Å | ||
| 179 | P | 98.6 | Very high | 98.6 | Very high | 74 Ų | 74 | 54.7 Ų | 54.7 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | -175.9 | 24.1 | -35.7 | 0 | 0 | 0 | 114.2 | E137 A177 Q182 E183 | E137-P179 WeakPolarHBondContact OE1-CD 3.33Å; E137-P179 WeakPolarHBondContact OE1-CG 3.46Å; E137-P179 VanDerWaalsContact OE1-N 3.11Å; A177-P179 WeakPolarHBondContact O-CD 3.27Å; P179-Q182 PolarHBondContact O-N 3.19Å; P179-E183 PolarHBondContact O-N 2.89Å; P179-E183 VanDerWaalsContact O-N 3.08Å |
| 180 | F | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.4 | -38.4 | 178.6 | -69 | -88 | 0 | 0 | 0 | 111 | E137 L140 R141 F178 E183 Y184 | E137-F180 VanDerWaalsContact OE1-CD2 3.3Å; E137-F180 WeakPolarHBondContact OE1-CD2 3.44Å; E137-F180 PolarHBondContact OE1-N 3.03Å; E137-F180 WeakPolarHBondContact OE2-CB 3.42Å; E137-F180 PolarHBondContact OE2-N 3.4Å; L140-F180 HydrophobicContact CB-CB 4.05Å; R141-F180 HydrophobicContact CB-CD1 4.32Å; R141-F180 HydrophobicContact CB-CD2 3.88Å; R141-F180 HydrophobicContact CB-CE1 4.19Å; R141-F180 HydrophobicContact CB-CE2 3.76Å; R141-F180 HydrophobicContact CB-CG 4.18Å; R141-F180 HydrophobicContact CB-CZ 3.92Å; R141-F180 HydrophobicContact CG-CD2 4.33Å; R141-F180 HydrophobicContact CG-CE1 4.32Å; R141-F180 HydrophobicContact CG-CE2 3.69Å; R141-F180 HydrophobicContact CG-CZ 3.68Å; F178-F180 VanDerWaalsContact C-N 3.33Å; F178-F180 PolarHBondContact O-N 3.41Å; F180-E183 PolarHBondContact O-N 3.47Å; F180-Y184 WeakPolarHBondContact O-CB 3.48Å; F180-Y184 PolarHBondContact O-N 3.45Å |
| 181 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 171.9 | -76.8 | 174.3 | 0 | 0 | 0 | 113 | F133 F136 E137 L140 L160 I164 L175 F178 Y184 T185 | F133-L181 HydrophobicContact CB-CD1 3.67Å; F133-L181 HydrophobicContact CD1-CD1 4.08Å; F133-L181 HydrophobicContact CG-CD1 3.87Å; F136-L181 HydrophobicContact CB-CD2 3.95Å; E137-L181 WeakPolarHBondContact OE2-CG 3.49Å; E137-L181 PolarHBondContact OE2-N 3.43Å; L140-L181 HydrophobicContact CD1-CD2 3.79Å; L140-L181 HydrophobicContact CD1-CG 4.34Å; L160-L181 HydrophobicContact CD2-CD2 4.12Å; I164-L181 HydrophobicContact CD1-CD2 4.09Å; L175-L181 HydrophobicContact CD1-CB 4.44Å; L175-L181 HydrophobicContact CD2-CB 4.06Å; L175-L181 HydrophobicContact CD2-CD1 4.2Å; F178-L181 HydrophobicContact CB-CB 3.93Å; F178-L181 HydrophobicContact CB-CD1 3.94Å; F178-L181 HydrophobicContact CB-CG 4.34Å; F178-L181 HydrophobicContact CD1-CD1 4.34Å; F178-L181 HydrophobicContact CG-CD1 4.18Å; F178-L181 PolarHBondContact O-N 3.1Å; L181-Y184 HydrophobicContact CD2-CD1 4.22Å; L181-T185 VanDerWaalsContact O-CB 3.24Å; L181-T185 WeakPolarHBondContact O-CB 3.45Å; L181-T185 PolarHBondContact O-N 3.02Å; L181-T185 PolarHBondContact O-OG1 2.99Å |
| 182 | Q | 98.8 | Very high | 98.7 | Very high | 85 Ų | 85 | 56 Ų | 56 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -51.5 | 173.6 | -69.8 | 172.7 | 50.3 | 0 | 0 | 110.8 | L175 F178 P179 Y184 T185 V186 | L175-Q182 HydrophobicContact CB-CG 3.83Å; L175-Q182 HydrophobicContact CD1-CG 4.36Å; L175-Q182 PolarHBondContact O-NE2 3.49Å; F178-Q182 WeakPolarHBondContact O-CG 3.41Å; F178-Q182 PolarHBondContact O-N 2.88Å; P179-Q182 PolarHBondContact O-N 3.19Å; Q182-Y184 PolarHBondContact O-N 3.08Å; Q182-T185 PolarHBondContact O-N 3.26Å; Q182-V186 WeakPolarHBondContact O-CG2 3.28Å; Q182-V186 PolarHBondContact O-N 2.77Å; Q182-V186 VanDerWaalsContact O-N 3.1Å |
| 183 | E | 98.6 | Very high | 98.7 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 179.2 | -174.2 | -176.2 | 168.3 | 0 | 0 | 111.6 | P179 F180 T185 V186 K187 | P179-E183 PolarHBondContact O-N 2.89Å; P179-E183 VanDerWaalsContact O-N 3.08Å; F180-E183 PolarHBondContact O-N 3.47Å; E183-T185 PolarHBondContact O-N 2.86Å; E183-V186 PolarHBondContact O-N 2.98Å; E183-K187 HydrophobicContact CG-CD 4.32Å; E183-K187 WeakPolarHBondContact O-CG 3.2Å; E183-K187 PolarHBondContact O-N 3.07Å; E183-K187 WeakPolarHBondContact OE1-CE 3.28Å; E183-K187 IonicContact OE1-NZ 2.8Å; E183-K187 PolarHBondContact OE1-NZ 3.25Å |
| 184 | Y | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 175.3 | 166.2 | -92.7 | 0 | 0 | 0 | 112.2 | L140 N146 L148 D157 L160 F180 L181 Q182 V186 K187 L188 | L140-Y184 HydrophobicContact CD1-CD1 4.33Å; L140-Y184 HydrophobicContact CD1-CD2 3.96Å; L140-Y184 HydrophobicContact CD1-CG 3.76Å; L140-Y184 HydrophobicContact CD2-CD2 3.63Å; L140-Y184 HydrophobicContact CD2-CE2 4.11Å; L140-Y184 HydrophobicContact CD2-CG 4.29Å; L140-Y184 HydrophobicContact CG-CD2 4.46Å; N146-Y184 WeakPolarHBondContact O-CD2 3.48Å; L148-Y184 HydrophobicContact CG-CE2 4.29Å; D157-Y184 WeakPolarHBondContact CA-OH 3.3Å; D157-Y184 WeakPolarHBondContact CB-OH 3.42Å; D157-Y184 PolarHBondContact O-OH 3.32Å; D157-Y184 WeakPolarHBondContact OD1-CE2 3.34Å; D157-Y184 PolarHBondContact OD1-OH 2.95Å; D157-Y184 VanDerWaalsContact OD1-OH 3.07Å; L160-Y184 HydrophobicContact CD2-CE1 3.94Å; L160-Y184 HydrophobicContact CG-CE1 4.36Å; F180-Y184 WeakPolarHBondContact O-CB 3.48Å; F180-Y184 PolarHBondContact O-N 3.45Å; L181-Y184 HydrophobicContact CD2-CD1 4.22Å; Q182-Y184 PolarHBondContact O-N 3.08Å; Y184-V186 VanDerWaalsContact C-N 3.33Å; Y184-V186 PolarHBondContact O-N 3.38Å; Y184-K187 PolarHBondContact O-N 2.94Å; Y184-L188 HydrophobicContact CD1-CD1 4.3Å; Y184-L188 HydrophobicContact CD2-CD1 4.32Å; Y184-L188 HydrophobicContact CD2-CG 4.33Å; Y184-L188 HydrophobicContact CE1-CD1 3.57Å; Y184-L188 HydrophobicContact CE1-CG 4.35Å; Y184-L188 HydrophobicContact CE2-CD1 3.6Å; Y184-L188 HydrophobicContact CE2-CD2 4.44Å; Y184-L188 HydrophobicContact CE2-CG 4.02Å; Y184-L188 PolarHBondContact O-N 3.26Å; Y184-L188 WeakPolarHBondContact OH-CD1 3.3Å |
| 185 | T | 98.8 | Very high | 98.7 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 179.1 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | L161 I164 L165 L181 Q182 E183 S189 | L161-T185 HydrophobicContact CD1-CG2 3.76Å; I164-T185 HydrophobicContact CG2-CG2 4.09Å; L165-T185 HydrophobicContact CD2-CG2 4.11Å; L181-T185 VanDerWaalsContact O-CB 3.24Å; L181-T185 WeakPolarHBondContact O-CB 3.45Å; L181-T185 PolarHBondContact O-N 3.02Å; L181-T185 PolarHBondContact O-OG1 2.99Å; Q182-T185 PolarHBondContact O-N 3.26Å; E183-T185 PolarHBondContact O-N 2.86Å; T185-S189 VanDerWaalsContact O-CB 3.24Å; T185-S189 WeakPolarHBondContact O-CB 3.34Å; T185-S189 PolarHBondContact O-N 3.14Å; T185-S189 PolarHBondContact O-OG 3.25Å |
| 186 | V | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 58.3 Ų | 58.3 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | Q182 E183 Y184 S189 N190 | Q182-V186 WeakPolarHBondContact O-CG2 3.28Å; Q182-V186 PolarHBondContact O-N 2.77Å; Q182-V186 VanDerWaalsContact O-N 3.1Å; E183-V186 PolarHBondContact O-N 2.98Å; Y184-V186 VanDerWaalsContact C-N 3.33Å; Y184-V186 PolarHBondContact O-N 3.38Å; V186-S189 PolarHBondContact O-N 3.23Å; V186-N190 PolarHBondContact O-N 2.93Å; V186-N190 PolarHBondContact O-ND2 3.01Å |
| 187 | K | 98.6 | Very high | 98.7 | Very high | 77 Ų | 77 | 54.6 Ų | 54.6 | 34% | 0.335 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -49.2 | 179.3 | -74.9 | 174.5 | -178.1 | 168.5 | 0 | 111.7 | N146 E183 Y184 N190 I191 | N146-K187 HydrophobicContact CB-CD 4.32Å; N146-K187 WeakPolarHBondContact OD1-CD 3.34Å; N146-K187 WeakPolarHBondContact OD1-CE 3.47Å; N146-K187 PolarHBondContact OD1-NZ 3.34Å; E183-K187 HydrophobicContact CG-CD 4.32Å; E183-K187 WeakPolarHBondContact O-CG 3.2Å; E183-K187 PolarHBondContact O-N 3.07Å; E183-K187 WeakPolarHBondContact OE1-CE 3.28Å; E183-K187 IonicContact OE1-NZ 2.8Å; E183-K187 PolarHBondContact OE1-NZ 3.25Å; Y184-K187 PolarHBondContact O-N 2.94Å; K187-N190 PolarHBondContact O-N 2.88Å; K187-I191 PolarHBondContact O-N 3.5Å |
| 188 | L | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 179.9 | -65.7 | -168.2 | 0 | 0 | 0 | 112.5 | F147 L153 D157 L161 Y184 N190 I191 I194 | F147-L188 HydrophobicContact CD1-CD2 3.83Å; F147-L188 HydrophobicContact CE1-CD2 3.62Å; L153-L188 HydrophobicContact CD1-CD2 4.12Å; D157-L188 HydrophobicContact CB-CD1 3.87Å; L161-L188 HydrophobicContact CB-CD1 4.24Å; L161-L188 HydrophobicContact CD1-CB 4.47Å; L161-L188 HydrophobicContact CD2-CB 3.82Å; Y184-L188 HydrophobicContact CD1-CD1 4.3Å; Y184-L188 HydrophobicContact CD2-CD1 4.32Å; Y184-L188 HydrophobicContact CD2-CG 4.33Å; Y184-L188 HydrophobicContact CE1-CD1 3.57Å; Y184-L188 HydrophobicContact CE1-CG 4.35Å; Y184-L188 HydrophobicContact CE2-CD1 3.6Å; Y184-L188 HydrophobicContact CE2-CD2 4.44Å; Y184-L188 HydrophobicContact CE2-CG 4.02Å; Y184-L188 PolarHBondContact O-N 3.26Å; Y184-L188 WeakPolarHBondContact OH-CD1 3.3Å; L188-N190 PolarHBondContact O-N 3.23Å; L188-N190 VanDerWaalsContact O-N 3.12Å; L188-I191 HydrophobicContact CD2-CD1 3.63Å; L188-I191 WeakPolarHBondContact O-CB 3.07Å; L188-I191 PolarHBondContact O-N 3Å; L188-I194 WeakPolarHBondContact O-CG2 3.49Å |
| 189 | S | 98.7 | Very high | 98.7 | Very high | 23 Ų | 23 | 57.4 Ų | 57.4 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -19.9 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 113 | T185 V186 K195 | T185-S189 VanDerWaalsContact O-CB 3.24Å; T185-S189 WeakPolarHBondContact O-CB 3.34Å; T185-S189 PolarHBondContact O-N 3.14Å; T185-S189 PolarHBondContact O-OG 3.25Å; V186-S189 PolarHBondContact O-N 3.23Å; S189-K195 WeakPolarHBondContact O-CA 3.4Å; S189-K195 WeakPolarHBondContact O-CB 3.49Å |
| 190 | N | 98.7 | Very high | 98.7 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -2.7 | 176.3 | -78.7 | -62.5 | 0 | 0 | 0 | 114.4 | V186 K187 L188 | V186-N190 PolarHBondContact O-N 2.93Å; V186-N190 PolarHBondContact O-ND2 3.01Å; K187-N190 PolarHBondContact O-N 2.88Å; L188-N190 PolarHBondContact O-N 3.23Å; L188-N190 VanDerWaalsContact O-N 3.12Å |
| 191 | I | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -60.6 | 128.4 | 170.6 | -68.1 | 175.7 | 0 | 0 | 0 | 108 | F147 L153 K187 L188 T193 I194 K195 | F147-I191 HydrophobicContact CE1-CD1 3.93Å; F147-I191 HydrophobicContact CZ-CD1 4.33Å; L153-I191 HydrophobicContact CD1-CD1 3.98Å; K187-I191 PolarHBondContact O-N 3.5Å; L188-I191 HydrophobicContact CD2-CD1 3.63Å; L188-I191 WeakPolarHBondContact O-CB 3.07Å; L188-I191 PolarHBondContact O-N 3Å; I191-T193 VanDerWaalsContact C-N 3.28Å; I191-T193 PolarHBondContact O-N 3.36Å; I191-T193 VanDerWaalsContact O-N 3.08Å; I191-I194 HydrophobicContact CB-CB 4.23Å; I191-I194 HydrophobicContact CB-CD1 4.16Å; I191-I194 HydrophobicContact CB-CG1 4.27Å; I191-I194 HydrophobicContact CD1-CD1 4.15Å; I191-I194 HydrophobicContact CG2-CD1 4.46Å; I191-I194 HydrophobicContact CG2-CG1 4.36Å; I191-I194 CarbonylContact O-C 3.57Å; I191-I194 PolarHBondContact O-N 2.86Å; I191-K195 WeakPolarHBondContact O-CB 3.42Å; I191-K195 PolarHBondContact O-N 3.31Å |
| 192 | P | 98.8 | Very high | 98.6 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -53.5 | -38.7 | -167.7 | -30.8 | 35.4 | 0 | 0 | 0 | 115.6 | R196 | P192-R196 WeakPolarHBondContact O-CB 3.46Å; P192-R196 PolarHBondContact O-N 2.94Å; P192-R196 VanDerWaalsContact O-N 3.16Å |
| 193 | T | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 62.4 Ų | 62.4 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 177.3 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | A24 A25 I191 F197 | A24-T193 WeakPolarHBondContact O-CB 3.46Å; A25-T193 WeakPolarHBondContact O-CB 3.46Å; A25-T193 PolarHBondContact O-OG1 3.2Å; I191-T193 VanDerWaalsContact C-N 3.28Å; I191-T193 PolarHBondContact O-N 3.36Å; I191-T193 VanDerWaalsContact O-N 3.08Å; T193-F197 PolarHBondContact O-N 3.39Å; T193-F197 VanDerWaalsContact O-N 3.13Å |
| 194 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68 | -45.2 | 176.9 | -64.1 | 179.7 | 0 | 0 | 0 | 110.8 | W21 A25 L153 L161 L188 I191 R196 F197 L198 | W21-I194 HydrophobicContact CZ3-CG2 4.02Å; A25-I194 HydrophobicContact CB-CD1 4.44Å; A25-I194 HydrophobicContact CB-CG1 4.06Å; L153-I194 HydrophobicContact CD1-CD1 4.4Å; L161-I194 HydrophobicContact CD2-CD1 4.2Å; L161-I194 HydrophobicContact CD2-CG2 3.69Å; L188-I194 WeakPolarHBondContact O-CG2 3.49Å; I191-I194 HydrophobicContact CB-CB 4.23Å; I191-I194 HydrophobicContact CB-CD1 4.16Å; I191-I194 HydrophobicContact CB-CG1 4.27Å; I191-I194 HydrophobicContact CD1-CD1 4.15Å; I191-I194 HydrophobicContact CG2-CD1 4.46Å; I191-I194 HydrophobicContact CG2-CG1 4.36Å; I191-I194 CarbonylContact O-C 3.57Å; I191-I194 PolarHBondContact O-N 2.86Å; I194-R196 VanDerWaalsContact C-N 3.32Å; I194-R196 PolarHBondContact O-N 2.98Å; I194-F197 CarbonylContact O-C 3.53Å; I194-F197 WeakPolarHBondContact O-CA 3.37Å; I194-F197 WeakPolarHBondContact O-CB 3.33Å; I194-F197 PolarHBondContact O-N 2.86Å; I194-L198 HydrophobicContact CG2-CD1 4.12Å; I194-L198 HydrophobicContact CG2-CG 4.39Å; I194-L198 WeakPolarHBondContact O-CG 3.45Å; I194-L198 PolarHBondContact O-N 3.01Å |
| 195 | K | 98.8 | Very high | 98.6 | Very high | 97 Ų | 97 | 60.5 Ų | 60.5 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 177.5 | -174.8 | 174.7 | 177 | 173.6 | 0 | 111.2 | S189 I191 F197 L198 E199 | S189-K195 WeakPolarHBondContact O-CA 3.4Å; S189-K195 WeakPolarHBondContact O-CB 3.49Å; I191-K195 WeakPolarHBondContact O-CB 3.42Å; I191-K195 PolarHBondContact O-N 3.31Å; K195-F197 VanDerWaalsContact C-N 3.25Å; K195-F197 PolarHBondContact O-N 3.28Å; K195-L198 PolarHBondContact O-N 3.39Å; K195-L198 VanDerWaalsContact O-N 3.07Å; K195-E199 WeakPolarHBondContact O-CG 3.44Å; K195-E199 PolarHBondContact O-N 3.19Å; K195-E199 VanDerWaalsContact O-N 3.09Å |
| 196 | R | 98.8 | Very high | 98.6 | Very high | 145 Ų | 145 | 64.3 Ų | 64.3 | 55% | 0.547 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 174.4 | -169.7 | -173.2 | -56.4 | 128.7 | 5.2 | 112.3 | P192 I194 L198 E199 | P192-R196 WeakPolarHBondContact O-CB 3.46Å; P192-R196 PolarHBondContact O-N 2.94Å; P192-R196 VanDerWaalsContact O-N 3.16Å; I194-R196 VanDerWaalsContact C-N 3.32Å; I194-R196 PolarHBondContact O-N 2.98Å; R196-L198 VanDerWaalsContact C-N 3.32Å; R196-E199 PolarHBondContact O-N 3.14Å |
| 197 | F | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 4% | 0.044 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71 | -28.1 | 176.4 | -169.7 | -116.6 | 0 | 0 | 0 | 113 | R20 W21 A24 T193 I194 K195 S202 K204 | R20-F197 HydrophobicContact CB-CE2 4.4Å; R20-F197 HydrophobicContact CB-CZ 3.89Å; W21-F197 HydrophobicContact CB-CE1 4.39Å; W21-F197 AromaticContact CD1-CE1 3.82Å; W21-F197 AromaticContact CD2-CD1 3.92Å; W21-F197 HydrophobicContact CD2-CD1 3.92Å; W21-F197 AromaticContact CD2-CE1 3.61Å; W21-F197 HydrophobicContact CD2-CE1 3.61Å; W21-F197 AromaticContact CE2-CE1 3.71Å; W21-F197 AromaticContact CE3-CD1 3.99Å; W21-F197 HydrophobicContact CE3-CD1 3.99Å; W21-F197 HydrophobicContact CE3-CE1 4.17Å; W21-F197 HydrophobicContact CG-CD1 4.39Å; W21-F197 AromaticContact CG-CE1 3.7Å; W21-F197 HydrophobicContact CG-CE1 3.7Å; W21-F197 HydrophobicContact CZ2-CD1 4.45Å; W21-F197 HydrophobicContact CZ2-CE1 4.36Å; W21-F197 HydrophobicContact CZ3-CD1 4.3Å; W21-F197 AromaticContact NE1-CE1 3.78Å; A24-F197 HydrophobicContact CB-CB 3.82Å; A24-F197 HydrophobicContact CB-CD1 4.11Å; A24-F197 HydrophobicContact CB-CD2 3.3Å; A24-F197 HydrophobicContact CB-CE2 3.81Å; A24-F197 HydrophobicContact CB-CG 3.47Å; A24-F197 VanDerWaalsContact CB-CG 3.47Å; A24-F197 HydrophobicContact CB-CZ 4.4Å; T193-F197 PolarHBondContact O-N 3.39Å; T193-F197 VanDerWaalsContact O-N 3.13Å; I194-F197 CarbonylContact O-C 3.53Å; I194-F197 WeakPolarHBondContact O-CA 3.37Å; I194-F197 WeakPolarHBondContact O-CB 3.33Å; I194-F197 PolarHBondContact O-N 2.86Å; K195-F197 VanDerWaalsContact C-N 3.25Å; K195-F197 PolarHBondContact O-N 3.28Å; F197-S202 VanDerWaalsContact O-CB 3.3Å; F197-S202 WeakPolarHBondContact O-CB 3.27Å; F197-S202 PolarHBondContact O-OG 3.29Å; F197-K204 HydrophobicContact CD1-CB 4.26Å; F197-K204 HydrophobicContact CD1-CD 4.44Å; F197-K204 HydrophobicContact CD2-CB 4.31Å; F197-K204 HydrophobicContact CE1-CB 3.8Å; F197-K204 HydrophobicContact CE1-CD 4.27Å; F197-K204 HydrophobicContact CE1-CG 3.99Å; F197-K204 HydrophobicContact CE2-CB 3.86Å; F197-K204 VanDerWaalsContact CZ-CA 3.5Å; F197-K204 HydrophobicContact CZ-CB 3.58Å; F197-K204 HydrophobicContact CZ-CG 4.16Å; F197-K204 WeakPolarHBondContact O-CB 3.43Å |
| 198 | L | 98.7 | Very high | 98.6 | Very high | 59 Ų | 59 | 62 Ų | 62 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -79.8 | -22.3 | 175.3 | -70.4 | 176.6 | 0 | 0 | 0 | 113.4 | W21 L165 I194 K195 R196 K204 | W21-L198 HydrophobicContact CH2-CD2 3.58Å; W21-L198 HydrophobicContact CH2-CG 4.32Å; W21-L198 HydrophobicContact CZ2-CD2 4.06Å; L165-L198 HydrophobicContact CD1-CD1 4.44Å; L165-L198 HydrophobicContact CD1-CD2 3.91Å; I194-L198 HydrophobicContact CG2-CD1 4.12Å; I194-L198 HydrophobicContact CG2-CG 4.39Å; I194-L198 WeakPolarHBondContact O-CG 3.45Å; I194-L198 PolarHBondContact O-N 3.01Å; K195-L198 PolarHBondContact O-N 3.39Å; K195-L198 VanDerWaalsContact O-N 3.07Å; R196-L198 VanDerWaalsContact C-N 3.32Å; L198-K204 HydrophobicContact CD2-CD 4.05Å |
| 199 | E | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 65.9 Ų | 65.9 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -71 | 152.1 | 179.2 | -76.4 | 168.3 | -177.7 | 0 | 0 | 112.8 | K195 R196 S202 | K195-E199 WeakPolarHBondContact O-CG 3.44Å; K195-E199 PolarHBondContact O-N 3.19Å; K195-E199 VanDerWaalsContact O-N 3.09Å; R196-E199 PolarHBondContact O-N 3.14Å; E199-S202 PolarHBondContact O-N 3.01Å |
| 200 | P | 98.3 | Very high | 98.5 | Very high | 137 Ų | 137 | 73.1 Ų | 73.1 | 89% | 0.89 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 142.3 | 172.2 | -24 | 34.2 | 0 | 0 | 0 | 112.3 | ||
| 201 | G | 97.4 | Very high | 98.5 | Very high | 89 Ų | 89 | 74.7 Ų | 74.7 | 92% | 0.918 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -5.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 202 | S | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 73.7 Ų | 73.7 | 28% | 0.28 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -71 | 171.3 | 168.3 | 90.1 | 0 | 0 | 0 | 0 | 112 | F197 E199 K204 | F197-S202 VanDerWaalsContact O-CB 3.3Å; F197-S202 WeakPolarHBondContact O-CB 3.27Å; F197-S202 PolarHBondContact O-OG 3.29Å; E199-S202 PolarHBondContact O-N 3.01Å; S202-K204 VanDerWaalsContact C-N 3.26Å; S202-K204 PolarHBondContact O-N 2.84Å; S202-K204 VanDerWaalsContact OG-CB 3.26Å; S202-K204 WeakPolarHBondContact OG-CB 3.39Å; S202-K204 PolarHBondContact OG-N 3.42Å; S202-K204 VanDerWaalsContact OG-N 3.07Å |
| 203 | K | 98.7 | Very high | 98.4 | Very high | 75 Ų | 75 | 70.3 Ų | 70.3 | 33% | 0.326 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -83.5 | 8 | 173.5 | -62.3 | -167.1 | 178 | 97.2 | 0 | 113.9 | E29 F30 E32 K205 | E29-K203 IonicContact OE2-NZ 3.84Å; F30-K203 HydrophobicContact CD2-CD 3.97Å; F30-K203 HydrophobicContact CE2-CB 3.88Å; F30-K203 HydrophobicContact CE2-CD 3.54Å; F30-K203 HydrophobicContact CE2-CG 4.33Å; F30-K203 HydrophobicContact CZ-CB 3.72Å; F30-K203 HydrophobicContact CZ-CD 4Å; F30-K203 HydrophobicContact CZ-CG 4.41Å; F30-K203 VanDerWaalsContact O-CE 3.25Å; F30-K203 WeakPolarHBondContact O-CE 3.21Å; F30-K203 PolarHBondContact O-NZ 3Å; E32-K203 HydrophobicContact CG-CD 4.43Å; K203-K205 PolarHBondContact O-N 3.36Å; K203-K205 PolarHBondContact O-NZ 3.29Å |
| 204 | K | 98.8 | Very high | 98.4 | Very high | 53 Ų | 53 | 77.2 Ų | 77.2 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -61 | 131.1 | 172.7 | -177.9 | 175.7 | -179.4 | -76.2 | 0 | 109.4 | W21 E169 F197 L198 S202 | W21-K204 HydrophobicContact CZ2-CD 4.29Å; E169-K204 IonicContact OE1-NZ 3.17Å; F197-K204 HydrophobicContact CD1-CB 4.26Å; F197-K204 HydrophobicContact CD1-CD 4.44Å; F197-K204 HydrophobicContact CD2-CB 4.31Å; F197-K204 HydrophobicContact CE1-CB 3.8Å; F197-K204 HydrophobicContact CE1-CD 4.27Å; F197-K204 HydrophobicContact CE1-CG 3.99Å; F197-K204 HydrophobicContact CE2-CB 3.86Å; F197-K204 VanDerWaalsContact CZ-CA 3.5Å; F197-K204 HydrophobicContact CZ-CB 3.58Å; F197-K204 HydrophobicContact CZ-CG 4.16Å; F197-K204 WeakPolarHBondContact O-CB 3.43Å; L198-K204 HydrophobicContact CD2-CD 4.05Å; S202-K204 VanDerWaalsContact C-N 3.26Å; S202-K204 PolarHBondContact O-N 2.84Å; S202-K204 VanDerWaalsContact OG-CB 3.26Å; S202-K204 WeakPolarHBondContact OG-CB 3.39Å; S202-K204 PolarHBondContact OG-N 3.42Å; S202-K204 VanDerWaalsContact OG-N 3.07Å |
| 205 | K | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 79 Ų | 79 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 144.1 | -177.9 | -62 | -67.7 | -178.1 | -67.4 | 0 | 111.1 | N11 R13 E17 E32 K203 | N11-K205 WeakPolarHBondContact OD1-CE 3.34Å; R13-K205 HydrophobicContact CB-CB 4.49Å; R13-K205 HydrophobicContact CG-CB 3.69Å; R13-K205 PolarHBondContact NE-O 3.34Å; R13-K205 PolarHBondContact NH2-O 2.92Å; E17-K205 PolarHBondContact OE1-N 2.97Å; E17-K205 WeakPolarHBondContact OE2-CB 3.2Å; E17-K205 WeakPolarHBondContact OE2-CG 3.4Å; E32-K205 IonicContact OE1-NZ 3.63Å; E32-K205 PolarHBondContact OE1-NZ 2.94Å; E32-K205 IonicContact OE2-NZ 3.8Å; E32-K205 PolarHBondContact OE2-NZ 2.91Å; K203-K205 PolarHBondContact O-N 3.36Å; K203-K205 PolarHBondContact O-NZ 3.29Å |
| 206 | P | 98.6 | Very high | 98.3 | Very high | 91 Ų | 91 | 75.4 Ų | 75.4 | 59% | 0.591 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 165 | 174.4 | 29.9 | -35.8 | 0 | 0 | 0 | 110.9 | R13 | R13-P206 WeakPolarHBondContact CD-O 3.27Å; R13-P206 WeakPolarHBondContact CG-O 3.37Å; R13-P206 PolarHBondContact NE-O 3.39Å |
| 207 | P | 98.6 | Very high | 98.3 | Very high | 69 Ų | 69 | 72.5 Ų | 72.5 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -50.5 | 143.3 | 167.3 | -24.1 | 34.5 | 0 | 0 | 0 | 110.9 | D209 | P207-D209 PolarHBondContact O-N 3.43Š|
| 208 | P | 98.1 | Very high | 98.3 | Very high | 49 Ų | 49 | 76.6 Ų | 76.6 | 32% | 0.318 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 128.1 | -177.1 | 25.6 | -33.6 | 0 | 0 | 0 | 111.1 | P110 Y212 | P110-P208 HydrophobicContact CB-CB 4.23Å; P110-P208 HydrophobicContact CB-CG 4.03Å; P110-P208 HydrophobicContact CG-CB 3.92Å; P110-P208 HydrophobicContact CG-CG 3.28Å; P208-Y212 HydrophobicContact CB-CD1 3.47Å; P208-Y212 VanDerWaalsContact CB-CD1 3.47Å; P208-Y212 HydrophobicContact CB-CE1 3.9Å; P208-Y212 HydrophobicContact CB-CG 4.33Å |
| 209 | D | 97.9 | Very high | 98.2 | Very high | 82 Ų | 82 | 73.9 Ų | 73.9 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | trans | -102.8 | 179.4 | 176.1 | 66.9 | -3.5 | 0 | 0 | 0 | 111.5 | P207 I211 Y212 V213 | P207-D209 PolarHBondContact O-N 3.43Å; D209-I211 PolarHBondContact O-N 2.89Å; D209-I211 PolarHBondContact OD1-N 3.49Å; D209-Y212 PolarHBondContact O-N 3.35Å; D209-Y212 VanDerWaalsContact OD1-CB 3.3Å; D209-Y212 WeakPolarHBondContact OD1-CB 3.47Å; D209-Y212 PolarHBondContact OD1-N 2.8Å; D209-V213 WeakPolarHBondContact O-CG2 3.29Å; D209-V213 PolarHBondContact O-N 3.03Å | ||
| 210 | E | 97.3 | Very high | 98.2 | Very high | 176 Ų | 176 | 73.3 Ų | 73.3 | 82% | 0.822 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.8 | -31.6 | 178.7 | -65.5 | -173.6 | 174.4 | 0 | 0 | 112.7 | V213 R214 | E210-V213 PolarHBondContact O-N 3.03Å; E210-R214 VanDerWaalsContact O-CB 3.3Å; E210-R214 WeakPolarHBondContact O-CB 3.27Å; E210-R214 PolarHBondContact O-N 3Å |
| 211 | I | 98.2 | Very high | 97.7 | Very high | 123 Ų | 123 | 72.4 Ų | 72.4 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.3 | -52.6 | 177.4 | -61.6 | 174.4 | 0 | 0 | 0 | 109.1 | D209 V213 R214 T215 | D209-I211 PolarHBondContact O-N 2.89Å; D209-I211 PolarHBondContact OD1-N 3.49Å; I211-V213 PolarHBondContact O-N 3.15Å; I211-R214 PolarHBondContact O-N 3.44Å; I211-T215 WeakPolarHBondContact O-CB 3.25Å; I211-T215 PolarHBondContact O-N 2.81Å; I211-T215 PolarHBondContact O-OG1 3.42Å |
| 212 | Y | 98.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 76.4 Ų | 76.4 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 176.9 | 171.3 | -99.5 | 0 | 0 | 0 | 111.7 | P10 G14 F111 P208 D209 R214 T215 V216 | P10-Y212 HydrophobicContact CB-CE2 4.13Å; G14-Y212 WeakPolarHBondContact CA-OH 3.44Å; G14-Y212 PolarHBondContact N-OH 2.83Å; F111-Y212 AromaticContact CZ-CE1 3.93Å; F111-Y212 HydrophobicContact CZ-CE1 3.93Å; P208-Y212 HydrophobicContact CB-CD1 3.47Å; P208-Y212 VanDerWaalsContact CB-CD1 3.47Å; P208-Y212 HydrophobicContact CB-CE1 3.9Å; P208-Y212 HydrophobicContact CB-CG 4.33Å; D209-Y212 PolarHBondContact O-N 3.35Å; D209-Y212 VanDerWaalsContact OD1-CB 3.3Å; D209-Y212 WeakPolarHBondContact OD1-CB 3.47Å; D209-Y212 PolarHBondContact OD1-N 2.8Å; Y212-R214 VanDerWaalsContact C-N 3.34Å; Y212-R214 PolarHBondContact O-N 2.8Å; Y212-T215 PolarHBondContact O-N 3.25Å; Y212-V216 HydrophobicContact CD1-CG2 4.38Å; Y212-V216 HydrophobicContact CD2-CG2 4.17Å; Y212-V216 HydrophobicContact CE1-CG2 3.94Å; Y212-V216 HydrophobicContact CE2-CG2 3.71Å; Y212-V216 HydrophobicContact CG-CG2 4.5Å; Y212-V216 WeakPolarHBondContact O-CG2 3.07Å; Y212-V216 PolarHBondContact O-N 3.43Å |
| 213 | V | 98.1 | Very high | 96.3 | Very high | 25 Ų | 25 | 78.2 Ų | 78.2 | 15% | 0.152 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | -179.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | P110 F111 D209 E210 I211 V216 Y217 | P110-V213 HydrophobicContact CB-CG2 3.63Å; F111-V213 HydrophobicContact CD1-CG1 4.02Å; F111-V213 HydrophobicContact CE1-CB 4.34Å; F111-V213 HydrophobicContact CE1-CG1 4.02Å; F111-V213 HydrophobicContact CE1-CG2 4.22Å; D209-V213 WeakPolarHBondContact O-CG2 3.29Å; D209-V213 PolarHBondContact O-N 3.03Å; E210-V213 PolarHBondContact O-N 3.03Å; I211-V213 PolarHBondContact O-N 3.15Å; V213-V216 PolarHBondContact O-N 3.21Å; V213-Y217 HydrophobicContact CG1-CD2 3.78Å; V213-Y217 HydrophobicContact CG1-CE2 3.58Å; V213-Y217 VanDerWaalsContact O-CD2 3.27Å; V213-Y217 WeakPolarHBondContact O-CD2 3.38Å; V213-Y217 PolarHBondContact O-N 3.3Å |
| 214 | R | 98 | Very high | 96.1 | Very high | 180 Ų | 180 | 78.4 Ų | 78.4 | 68% | 0.679 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 176.5 | -175.2 | 177.9 | -179.2 | -174.6 | -1.6 | 111.9 | E210 I211 Y212 V216 Y217 N218 | E210-R214 VanDerWaalsContact O-CB 3.3Å; E210-R214 WeakPolarHBondContact O-CB 3.27Å; E210-R214 PolarHBondContact O-N 3Å; I211-R214 PolarHBondContact O-N 3.44Å; Y212-R214 VanDerWaalsContact C-N 3.34Å; Y212-R214 PolarHBondContact O-N 2.8Å; R214-V216 PolarHBondContact O-N 3.36Å; R214-Y217 PolarHBondContact O-N 3.46Å; R214-N218 VanDerWaalsContact O-CG 3.24Å; R214-N218 PolarHBondContact O-N 3.48Å; R214-N218 PolarHBondContact O-ND2 3Å |
| 215 | T | 98.3 | Very high | 96 | Very high | 39 Ų | 39 | 79.8 Ų | 79.8 | 24% | 0.239 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 177.4 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | I211 Y212 Y217 N218 I219 | I211-T215 WeakPolarHBondContact O-CB 3.25Å; I211-T215 PolarHBondContact O-N 2.81Å; I211-T215 PolarHBondContact O-OG1 3.42Å; Y212-T215 PolarHBondContact O-N 3.25Å; T215-Y217 PolarHBondContact O-N 3.06Å; T215-N218 PolarHBondContact O-N 2.96Å; T215-I219 HydrophobicContact CG2-CD1 3.6Å; T215-I219 HydrophobicContact CG2-CG1 4.41Å; T215-I219 VanDerWaalsContact O-CG1 3.27Å; T215-I219 WeakPolarHBondContact O-CG1 3.48Å; T215-I219 PolarHBondContact O-N 3.36Å |
| 216 | V | 98.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 83.8 Ų | 83.8 | 13% | 0.127 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | P10 F111 Y212 V213 R214 N218 I219 F220 | P10-V216 HydrophobicContact CB-CG2 4.37Å; P10-V216 HydrophobicContact CG-CG2 4.33Å; F111-V216 HydrophobicContact CE1-CB 3.92Å; F111-V216 HydrophobicContact CE1-CG1 3.72Å; F111-V216 HydrophobicContact CZ-CB 4.07Å; F111-V216 HydrophobicContact CZ-CG1 3.75Å; F111-V216 HydrophobicContact CZ-CG2 4.25Å; Y212-V216 HydrophobicContact CD1-CG2 4.38Å; Y212-V216 HydrophobicContact CD2-CG2 4.17Å; Y212-V216 HydrophobicContact CE1-CG2 3.94Å; Y212-V216 HydrophobicContact CE2-CG2 3.71Å; Y212-V216 HydrophobicContact CG-CG2 4.5Å; Y212-V216 WeakPolarHBondContact O-CG2 3.07Å; Y212-V216 PolarHBondContact O-N 3.43Å; V213-V216 PolarHBondContact O-N 3.21Å; R214-V216 PolarHBondContact O-N 3.36Å; V216-N218 VanDerWaalsContact C-N 3.34Å; V216-N218 PolarHBondContact O-N 3.14Å; V216-I219 PolarHBondContact O-N 2.81Å; V216-F220 HydrophobicContact CB-CD2 4.44Å; V216-F220 HydrophobicContact CG1-CD2 3.76Å; V216-F220 HydrophobicContact CG1-CE2 4.29Å; V216-F220 VanDerWaalsContact O-CD2 3.32Å; V216-F220 WeakPolarHBondContact O-CD2 3.19Å; V216-F220 PolarHBondContact O-N 3.33Å |
| 217 | Y | 98.1 | Very high | 95.7 | Very high | 83 Ų | 83 | 83.3 Ų | 83.3 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.4 | -81.9 | -53.5 | 0 | 0 | 0 | 112.6 | F111 V213 R214 T215 I219 K221 | F111-Y217 HydrophobicContact CD1-CE2 4.03Å; F111-Y217 AromaticContact CD1-CZ 3.97Å; F111-Y217 PolarHBondContact O-OH 3.33Å; V213-Y217 HydrophobicContact CG1-CD2 3.78Å; V213-Y217 HydrophobicContact CG1-CE2 3.58Å; V213-Y217 VanDerWaalsContact O-CD2 3.27Å; V213-Y217 WeakPolarHBondContact O-CD2 3.38Å; V213-Y217 PolarHBondContact O-N 3.3Å; R214-Y217 PolarHBondContact O-N 3.46Å; T215-Y217 PolarHBondContact O-N 3.06Å; Y217-I219 PolarHBondContact O-N 3.21Å; Y217-K221 HydrophobicContact CD1-CD 3.54Å; Y217-K221 HydrophobicContact CD1-CG 3.92Å; Y217-K221 HydrophobicContact CE1-CD 4.19Å; Y217-K221 HydrophobicContact CG-CD 4.36Å; Y217-K221 WeakPolarHBondContact O-CB 3.23Å; Y217-K221 PolarHBondContact O-N 2.94Å |
| 218 | N | 97.9 | Very high | 95.5 | Very high | 97 Ų | 97 | 84.3 Ų | 84.3 | 52% | 0.519 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 179.1 | -68.2 | -17.7 | 0 | 0 | 0 | 113 | R214 T215 V216 | R214-N218 VanDerWaalsContact O-CG 3.24Å; R214-N218 PolarHBondContact O-N 3.48Å; R214-N218 PolarHBondContact O-ND2 3Å; T215-N218 PolarHBondContact O-N 2.96Å; V216-N218 VanDerWaalsContact C-N 3.34Å; V216-N218 PolarHBondContact O-N 3.14Å |
| 219 | I | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -76.7 | -46.4 | -179 | -66 | 164.8 | 0 | 0 | 0 | 111.3 | P10 L35 L41 T215 V216 Y217 | P10-I219 HydrophobicContact CB-CD1 4.5Å; P10-I219 HydrophobicContact CG-CD1 4.23Å; L35-I219 HydrophobicContact CB-CD1 4.19Å; L35-I219 WeakPolarHBondContact O-CD1 3.24Å; L41-I219 HydrophobicContact CB-CG2 4.03Å; L41-I219 HydrophobicContact CD2-CG2 3.9Å; T215-I219 HydrophobicContact CG2-CD1 3.6Å; T215-I219 HydrophobicContact CG2-CG1 4.41Å; T215-I219 VanDerWaalsContact O-CG1 3.27Å; T215-I219 WeakPolarHBondContact O-CG1 3.48Å; T215-I219 PolarHBondContact O-N 3.36Å; V216-I219 PolarHBondContact O-N 2.81Å; Y217-I219 PolarHBondContact O-N 3.21Å |
| 220 | F | 96.8 | Very high | 95.1 | Very high | 84 Ų | 84 | 87.2 Ų | 87.2 | 37% | 0.368 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -105.1 | -11.2 | -165.4 | -62.9 | -76.8 | 0 | 0 | 0 | 115.1 | P10 L35 L41 V55 V216 | P10-F220 HydrophobicContact CG-CE2 3.7Å; P10-F220 HydrophobicContact CG-CZ 4.11Å; L35-F220 HydrophobicContact CD1-CZ 4.45Å; L41-F220 HydrophobicContact CD1-CE1 4.18Å; L41-F220 HydrophobicContact CD2-CD1 3.64Å; L41-F220 HydrophobicContact CD2-CE1 3.67Å; V55-F220 HydrophobicContact CG2-CE1 3.97Å; V55-F220 HydrophobicContact CG2-CZ 3.72Å; V216-F220 HydrophobicContact CB-CD2 4.44Å; V216-F220 HydrophobicContact CG1-CD2 3.76Å; V216-F220 HydrophobicContact CG1-CE2 4.29Å; V216-F220 VanDerWaalsContact O-CD2 3.32Å; V216-F220 WeakPolarHBondContact O-CD2 3.19Å; V216-F220 PolarHBondContact O-N 3.33Å |
| 221 | K | 89.1 | Confident | 94.9 | Very high | 117 Ų | 117 | 79.8 Ų | 79.8 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | trans | -77.7 | 140.4 | 171.9 | -79 | -172.7 | 162 | 169.6 | 0 | 111.2 | K38 Y217 | K38-K221 PolarHBondContact NZ-O 2.95Å; Y217-K221 HydrophobicContact CD1-CD 3.54Å; Y217-K221 HydrophobicContact CD1-CG 3.92Å; Y217-K221 HydrophobicContact CE1-CD 4.19Å; Y217-K221 HydrophobicContact CG-CD 4.36Å; Y217-K221 WeakPolarHBondContact O-CB 3.23Å; Y217-K221 PolarHBondContact O-N 2.94Å | ||
| 222 | P | 69.4 | Low | 94.6 | Very high | 173 Ų | 173 | 75.8 Ų | 75.8 | 100% | 1.123 | 37% | 0.373 | S | S | * | . | trans | -60.4 | 0 | 174 | 26.5 | -33.4 | 0 | 0 | 0 | 111.7 | K38 | K38-P222 PolarHBondContact NZ-OXT 3.37Š|
Retrieved 222 of 222 residues in 52.6 ms
(Link to these results)