| 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 | 73.9 | Confident | 94.2 | Very high | 157 Ų | 157 | 64.3 Ų | 64.3 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | 0 | 132.6 | 0 | -172.7 | 147.1 | 74 | 0 | 0 | 108.2 | L5 F6 | M1-L5 HydrophobicContact CG-CB 3.91Å; M1-L5 HydrophobicContact SD-CB 4.32Å; M1-F6 HydrophobicContact CB-CE1 4.35Å; M1-F6 HydrophobicContact CE-CD1 4.17Å; M1-F6 HydrophobicContact CG-CD1 4.33Å; M1-F6 HydrophobicContact CG-CE1 4.47Å | |||
| 2 | S | 90 | Very high | 94.5 | Very high | 62 Ų | 62 | 59 Ų | 59 | 43% | 0.434 | 31% | 0.312 | S | S | . | . | trans | -66.1 | 147 | 176.8 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | F4 L5 F6 | S2-F4 PolarHBondContact O-N 3.23Å; S2-F4 VanDerWaalsContact O-N 3.15Å; S2-F4 VanDerWaalsContact OG-CD2 3.29Å; S2-F4 WeakPolarHBondContact OG-CD2 3.46Å; S2-L5 PolarHBondContact O-N 3.06Å; S2-F6 WeakPolarHBondContact O-CD1 3.44Å | ||
| 3 | V | 92.6 | Very high | 94.8 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -53.3 | -36.4 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | L5 F6 N9 T58 F60 | V3-L5 PolarHBondContact O-N 3.44Å; V3-L5 VanDerWaalsContact O-N 3.16Å; V3-F6 HydrophobicContact CG1-CD2 4.38Å; V3-F6 HydrophobicContact CG2-CE2 4.16Å; V3-F6 HydrophobicContact CG2-CZ 4.19Å; V3-F6 WeakPolarHBondContact O-CB 3.43Å; V3-F6 WeakPolarHBondContact O-CG 3.38Å; V3-F6 PolarHBondContact O-N 2.89Å; V3-F6 VanDerWaalsContact O-N 3.11Å; V3-N9 PolarHBondContact O-ND2 3.2Å; V3-T58 HydrophobicContact CG1-CG2 3.89Å; V3-T58 HydrophobicContact CG2-CG2 4.47Å; V3-F60 HydrophobicContact CG1-CB 4.22Å; V3-F60 HydrophobicContact CG1-CD1 4.26Å |
| 4 | F | 95.8 | Very high | 95 | Very high | 113 Ų | 113 | 62 Ų | 62 | 50% | 0.496 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -59.8 | -25.3 | 177.8 | -56.3 | -64.5 | 0 | 0 | 0 | 114.1 | S2 Y13 F60 | S2-F4 PolarHBondContact O-N 3.23Å; S2-F4 VanDerWaalsContact O-N 3.15Å; S2-F4 VanDerWaalsContact OG-CD2 3.29Å; S2-F4 WeakPolarHBondContact OG-CD2 3.46Å; F4-Y13 VanDerWaalsContact O-CE2 3.26Å; F4-Y13 WeakPolarHBondContact O-CE2 3.23Å; F4-Y13 PolarHBondContact O-OH 2.87Å; F4-F60 HydrophobicContact CD1-CD1 4.34Å; F4-F60 AromaticContact CD1-CE1 3.86Å; F4-F60 HydrophobicContact CD1-CE1 3.86Å; F4-F60 HydrophobicContact CD1-CE2 4.29Å; F4-F60 AromaticContact CD1-CZ 3.83Å; F4-F60 HydrophobicContact CD1-CZ 3.83Å; F4-F60 HydrophobicContact CE1-CD2 4.28Å; F4-F60 HydrophobicContact CE1-CE1 4.3Å; F4-F60 AromaticContact CE1-CE2 3.97Å; F4-F60 HydrophobicContact CE1-CE2 3.97Å; F4-F60 AromaticContact CE1-CZ 3.99Å; F4-F60 HydrophobicContact CE1-CZ 3.99Å |
| 5 | L | 96.2 | Very high | 95.3 | Very high | 108 Ų | 108 | 57.9 Ų | 57.9 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -100.1 | 10.7 | -179.5 | -62.2 | 176.8 | 0 | 0 | 0 | 113.1 | M1 S2 V3 | M1-L5 HydrophobicContact CG-CB 3.91Å; M1-L5 HydrophobicContact SD-CB 4.32Å; S2-L5 PolarHBondContact O-N 3.06Å; V3-L5 PolarHBondContact O-N 3.44Å; V3-L5 VanDerWaalsContact O-N 3.16Å |
| 6 | F | 97.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 16% | 0.158 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -64.2 | 143 | 171.7 | -72.4 | 1.5 | 0 | 0 | 0 | 110.2 | M1 S2 V3 P8 N9 V10 Q56 T58 | M1-F6 HydrophobicContact CB-CE1 4.35Å; M1-F6 HydrophobicContact CE-CD1 4.17Å; M1-F6 HydrophobicContact CG-CD1 4.33Å; M1-F6 HydrophobicContact CG-CE1 4.47Å; S2-F6 WeakPolarHBondContact O-CD1 3.44Å; V3-F6 HydrophobicContact CG1-CD2 4.38Å; V3-F6 HydrophobicContact CG2-CE2 4.16Å; V3-F6 HydrophobicContact CG2-CZ 4.19Å; V3-F6 WeakPolarHBondContact O-CB 3.43Å; V3-F6 WeakPolarHBondContact O-CG 3.38Å; V3-F6 PolarHBondContact O-N 2.89Å; V3-F6 VanDerWaalsContact O-N 3.11Å; F6-P8 VanDerWaalsContact C-CD 3.49Å; F6-N9 WeakPolarHBondContact O-CB 3.47Å; F6-N9 PolarHBondContact O-N 3.35Å; F6-V10 PolarHBondContact O-N 2.91Å; F6-Q56 HydrophobicContact CB-CB 4.22Å; F6-Q56 HydrophobicContact CB-CG 4.34Å; F6-Q56 HydrophobicContact CD1-CG 4.49Å; F6-Q56 HydrophobicContact CD2-CB 3.76Å; F6-Q56 HydrophobicContact CD2-CG 3.94Å; F6-Q56 HydrophobicContact CE2-CB 4.36Å; F6-Q56 HydrophobicContact CE2-CG 4.32Å; F6-Q56 HydrophobicContact CG-CB 4.15Å; F6-Q56 HydrophobicContact CG-CG 4.03Å; F6-T58 HydrophobicContact CD2-CG2 3.83Å; F6-T58 HydrophobicContact CE2-CG2 3.62Å |
| 7 | I | 97.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 43% | 0.431 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55 | -44.3 | -174.1 | -70.1 | 163.2 | 0 | 0 | 0 | 112.1 | N9 V10 I11 A50 L54 | I7-N9 VanDerWaalsContact C-N 3.3Å; I7-N9 PolarHBondContact O-N 2.88Å; I7-V10 PolarHBondContact O-N 3.47Å; I7-I11 HydrophobicContact CG2-CD1 4.09Å; I7-I11 WeakPolarHBondContact O-CG1 3.42Å; I7-I11 PolarHBondContact O-N 3.01Å; I7-A50 HydrophobicContact CG2-CB 4.28Å; I7-L54 HydrophobicContact CB-CD1 3.86Å; I7-L54 HydrophobicContact CD1-CD1 3.49Å; I7-L54 VanDerWaalsContact CD1-CD1 3.49Å; I7-L54 HydrophobicContact CG1-CD1 4.23Å; I7-L54 HydrophobicContact CG2-CD1 4.09Å |
| 8 | P | 97.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 174.2 | -25.2 | 34.2 | 0 | 0 | 0 | 113.7 | F6 I11 G12 D47 A50 A51 Q56 | F6-P8 VanDerWaalsContact C-CD 3.49Å; P8-I11 WeakPolarHBondContact O-CB 3.32Å; P8-I11 PolarHBondContact O-N 2.76Å; P8-G12 PolarHBondContact O-N 3.5Å; P8-D47 HydrophobicContact CB-CB 4.24Å; P8-A50 HydrophobicContact CG-CB 4.13Å; P8-A51 HydrophobicContact CB-CB 4.01Å; P8-A51 HydrophobicContact CG-CB 3.57Å; P8-Q56 HydrophobicContact CG-CB 4.12Å |
| 9 | N | 98 | Very high | 95.9 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.6 | -36.5 | -178.4 | -63.1 | -22.6 | 0 | 0 | 0 | 111.1 | V3 F6 I7 I11 G12 Y13 F60 G61 L64 | V3-N9 PolarHBondContact O-ND2 3.2Å; F6-N9 WeakPolarHBondContact O-CB 3.47Å; F6-N9 PolarHBondContact O-N 3.35Å; I7-N9 VanDerWaalsContact C-N 3.3Å; I7-N9 PolarHBondContact O-N 2.88Å; N9-I11 VanDerWaalsContact C-N 3.31Å; N9-I11 PolarHBondContact O-N 3.03Å; N9-G12 CarbonylContact O-C 3.56Å; N9-G12 WeakPolarHBondContact O-CA 3.49Å; N9-G12 PolarHBondContact O-N 2.99Å; N9-G12 VanDerWaalsContact O-N 3.15Å; N9-Y13 HydrophobicContact CB-CE2 4.44Å; N9-Y13 WeakPolarHBondContact O-CD1 3.26Å; N9-Y13 VanDerWaalsContact O-CD2 3.32Å; N9-Y13 WeakPolarHBondContact O-CD2 3.49Å; N9-Y13 PolarHBondContact O-N 3.37Å; N9-F60 HydrophobicContact CB-CE1 4.34Å; N9-G61 WeakPolarHBondContact OD1-CA 3.32Å; N9-L64 HydrophobicContact CB-CD2 4.43Å |
| 10 | V | 98.1 | Very high | 96 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 171.6 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | F6 I7 G12 Y13 I14 | F6-V10 PolarHBondContact O-N 2.91Å; I7-V10 PolarHBondContact O-N 3.47Å; V10-G12 VanDerWaalsContact C-N 3.34Å; V10-Y13 PolarHBondContact O-N 3.47Å; V10-I14 HydrophobicContact CG1-CD1 4.41Å; V10-I14 WeakPolarHBondContact O-CG1 3.43Å; V10-I14 PolarHBondContact O-N 2.94Å |
| 11 | I | 98.2 | Very high | 96.1 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 172.4 | -64.1 | 162.3 | 0 | 0 | 0 | 110.4 | I7 P8 N9 Y13 I14 R15 L43 V46 D47 A50 | I7-I11 HydrophobicContact CG2-CD1 4.09Å; I7-I11 WeakPolarHBondContact O-CG1 3.42Å; I7-I11 PolarHBondContact O-N 3.01Å; P8-I11 WeakPolarHBondContact O-CB 3.32Å; P8-I11 PolarHBondContact O-N 2.76Å; N9-I11 VanDerWaalsContact C-N 3.31Å; N9-I11 PolarHBondContact O-N 3.03Å; I11-Y13 VanDerWaalsContact C-N 3.28Å; I11-Y13 PolarHBondContact O-N 2.99Å; I11-I14 WeakPolarHBondContact O-CA 3.3Å; I11-I14 WeakPolarHBondContact O-CB 3.33Å; I11-I14 PolarHBondContact O-N 3.45Å; I11-R15 WeakPolarHBondContact O-CG 3.48Å; I11-R15 PolarHBondContact O-N 3.38Å; I11-L43 HydrophobicContact CG2-CB 3.86Å; I11-L43 HydrophobicContact CG2-CD1 4.46Å; I11-L43 HydrophobicContact CG2-CD2 4.01Å; I11-L43 HydrophobicContact CG2-CG 4.33Å; I11-V46 HydrophobicContact CD1-CG1 4.16Å; I11-D47 HydrophobicContact CB-CB 3.9Å; I11-D47 HydrophobicContact CD1-CB 4.3Å; I11-D47 HydrophobicContact CG2-CB 3.76Å; I11-A50 HydrophobicContact CD1-CB 4.13Å |
| 12 | G | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.4 | -39.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P8 N9 V10 R15 I16 | P8-G12 PolarHBondContact O-N 3.5Å; N9-G12 CarbonylContact O-C 3.56Å; N9-G12 WeakPolarHBondContact O-CA 3.49Å; N9-G12 PolarHBondContact O-N 2.99Å; N9-G12 VanDerWaalsContact O-N 3.15Å; V10-G12 VanDerWaalsContact C-N 3.34Å; G12-R15 WeakPolarHBondContact O-CB 3.21Å; G12-R15 PolarHBondContact O-N 3.37Å; G12-I16 WeakPolarHBondContact O-CG1 3.46Å; G12-I16 PolarHBondContact O-N 3.47Å; G12-I16 VanDerWaalsContact O-N 3.09Å |
| 13 | Y | 98.5 | Very high | 97.6 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 175.1 | -53.2 | -31.1 | 0 | 0 | 0 | 112.6 | F4 N9 V10 I11 R15 I16 V17 F60 L64 | F4-Y13 VanDerWaalsContact O-CE2 3.26Å; F4-Y13 WeakPolarHBondContact O-CE2 3.23Å; F4-Y13 PolarHBondContact O-OH 2.87Å; N9-Y13 HydrophobicContact CB-CE2 4.44Å; N9-Y13 WeakPolarHBondContact O-CD1 3.26Å; N9-Y13 VanDerWaalsContact O-CD2 3.32Å; N9-Y13 WeakPolarHBondContact O-CD2 3.49Å; N9-Y13 PolarHBondContact O-N 3.37Å; V10-Y13 PolarHBondContact O-N 3.47Å; I11-Y13 VanDerWaalsContact C-N 3.28Å; I11-Y13 PolarHBondContact O-N 2.99Å; Y13-R15 VanDerWaalsContact C-N 3.34Å; Y13-I16 HydrophobicContact CD1-CD1 4.47Å; Y13-I16 WeakPolarHBondContact O-CB 3.4Å; Y13-I16 PolarHBondContact O-N 3.49Å; Y13-V17 PolarHBondContact O-N 3.16Å; Y13-V17 VanDerWaalsContact O-N 3.16Å; Y13-F60 HydrophobicContact CE1-CZ 4.49Å; Y13-F60 WeakPolarHBondContact OH-CE1 3.45Å; Y13-L64 HydrophobicContact CD1-CD2 3.97Å; Y13-L64 HydrophobicContact CE1-CD1 4.49Å; Y13-L64 HydrophobicContact CE1-CD2 3.59Å |
| 14 | I | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 43% | 0.426 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 173.1 | -65.8 | 165.9 | 0 | 0 | 0 | 110.3 | V10 I11 I16 V17 L18 L43 | V10-I14 HydrophobicContact CG1-CD1 4.41Å; V10-I14 WeakPolarHBondContact O-CG1 3.43Å; V10-I14 PolarHBondContact O-N 2.94Å; I11-I14 WeakPolarHBondContact O-CA 3.3Å; I11-I14 WeakPolarHBondContact O-CB 3.33Å; I11-I14 PolarHBondContact O-N 3.45Å; I14-I16 VanDerWaalsContact C-N 3.29Å; I14-I16 PolarHBondContact O-N 3.09Å; I14-V17 PolarHBondContact O-N 3.16Å; I14-V17 VanDerWaalsContact O-N 3.17Å; I14-L18 HydrophobicContact CG2-CD1 3.93Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CG 3.46Å; I14-L18 PolarHBondContact O-N 3.14Å; I14-L43 HydrophobicContact CG2-CD1 3.91Å |
| 15 | R | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.6 | -42 | 174.7 | -68.3 | 173 | 66.3 | -161 | -1.2 | 112 | I11 G12 Y13 L18 L19 S40 L43 D44 D47 D65 V68 D69 | I11-R15 WeakPolarHBondContact O-CG 3.48Å; I11-R15 PolarHBondContact O-N 3.38Å; G12-R15 WeakPolarHBondContact O-CB 3.21Å; G12-R15 PolarHBondContact O-N 3.37Å; Y13-R15 VanDerWaalsContact C-N 3.34Å; R15-L18 PolarHBondContact O-N 3.33Å; R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 PolarHBondContact O-N 2.85Å; R15-S40 WeakPolarHBondContact CA-OG 3.23Å; R15-S40 WeakPolarHBondContact CG-O 3.22Å; R15-S40 PolarHBondContact NE-O 3.49Å; R15-S40 VanDerWaalsContact NE-O 3.11Å; R15-S40 PolarHBondContact O-OG 3.27Å; R15-L43 HydrophobicContact CG-CB 3.51Å; R15-L43 HydrophobicContact CG-CD1 4.11Å; R15-L43 HydrophobicContact CG-CG 4.49Å; R15-D44 VanDerWaalsContact CZ-CA 3.48Å; R15-D44 IonicContact CZ-OD1 2.74Å; R15-D44 VanDerWaalsContact CZ-OD1 3.28Å; R15-D44 IonicContact NH1-OD1 3.72Å; R15-D44 PolarHBondContact NH1-OD1 3.07Å; R15-D44 VanDerWaalsContact NH1-OD1 3.11Å; R15-D44 IonicContact NH2-OD1 2.91Å; R15-D44 PolarHBondContact NH2-OD1 2.85Å; R15-D47 WeakPolarHBondContact CD-OD2 3.5Å; R15-D47 IonicContact CZ-OD2 3.61Å; R15-D47 IonicContact NE-OD2 2.94Å; R15-D47 IonicContact NH1-OD2 2.87Å; R15-D47 PolarHBondContact NH1-OD2 3.11Å; R15-D65 IonicContact CZ-OD1 3.7Å; R15-D65 IonicContact NH1-OD1 4Å; R15-D65 PolarHBondContact NH1-OD1 3.23Å; R15-D65 IonicContact NH2-OD1 3.28Å; R15-V68 HydrophobicContact CB-CG1 3.85Å; R15-D69 IonicContact NH2-OD1 3.51Å; R15-D69 PolarHBondContact NH2-OD1 3.26Å |
| 16 | I | 98.5 | Very high | 98 | Very high | 51 Ų | 51 | 51 Ų | 51 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 176.1 | -68.7 | 166.7 | 0 | 0 | 0 | 111.4 | G12 Y13 I14 L19 F20 L64 V68 | G12-I16 WeakPolarHBondContact O-CG1 3.46Å; G12-I16 PolarHBondContact O-N 3.47Å; G12-I16 VanDerWaalsContact O-N 3.09Å; Y13-I16 HydrophobicContact CD1-CD1 4.47Å; Y13-I16 WeakPolarHBondContact O-CB 3.4Å; Y13-I16 PolarHBondContact O-N 3.49Å; I14-I16 VanDerWaalsContact C-N 3.29Å; I14-I16 PolarHBondContact O-N 3.09Å; I16-L19 PolarHBondContact O-N 3.08Å; I16-F20 HydrophobicContact CG2-CD2 3.73Å; I16-F20 HydrophobicContact CG2-CE2 3.47Å; I16-F20 VanDerWaalsContact CG2-CE2 3.47Å; I16-F20 WeakPolarHBondContact O-CD2 3.49Å; I16-F20 PolarHBondContact O-N 2.77Å; I16-L64 HydrophobicContact CD1-CD1 3.97Å; I16-V68 HydrophobicContact CD1-CG2 3.86Å; I16-V68 HydrophobicContact CG1-CG1 4.44Å; I16-V68 HydrophobicContact CG1-CG2 3.5Å |
| 17 | V | 98.6 | Very high | 97.7 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | Y13 I14 L19 F20 Q21 | Y13-V17 PolarHBondContact O-N 3.16Å; Y13-V17 VanDerWaalsContact O-N 3.16Å; I14-V17 PolarHBondContact O-N 3.16Å; I14-V17 VanDerWaalsContact O-N 3.17Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 3.31Å; V17-F20 PolarHBondContact O-N 3.48Å; V17-Q21 WeakPolarHBondContact O-CG 3.37Å; V17-Q21 PolarHBondContact O-N 3.45Å; V17-Q21 VanDerWaalsContact O-N 3.07Å |
| 18 | L | 98.5 | Very high | 97.5 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 175.9 | -70.6 | 170.1 | 0 | 0 | 0 | 111.9 | I14 R15 Q21 A22 T36 I39 L43 | I14-L18 HydrophobicContact CG2-CD1 3.93Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CG 3.46Å; I14-L18 PolarHBondContact O-N 3.14Å; R15-L18 PolarHBondContact O-N 3.33Å; L18-Q21 WeakPolarHBondContact O-CB 3.49Å; L18-Q21 PolarHBondContact O-N 2.96Å; L18-A22 PolarHBondContact O-N 3.3Å; L18-T36 HydrophobicContact CD2-CG2 4.29Å; L18-I39 HydrophobicContact CD1-CB 4.29Å; L18-I39 HydrophobicContact CD1-CG2 3.64Å; L18-L43 HydrophobicContact CD1-CD1 3.71Å |
| 19 | L | 97.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 59.2 Ų | 59.2 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.5 | 175.7 | 60.3 | 0 | 0 | 0 | 111.3 | R15 I16 V17 Q21 A22 C23 C71 S72 C75 | R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 PolarHBondContact O-N 2.85Å; I16-L19 PolarHBondContact O-N 3.08Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 3.31Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; L19-Q21 PolarHBondContact O-N 2.68Å; L19-A22 WeakPolarHBondContact O-CB 3.49Å; L19-A22 PolarHBondContact O-N 3.24Å; L19-A22 VanDerWaalsContact O-N 3.16Å; L19-C23 WeakPolarHBondContact O-CB 3.34Å; L19-C23 PolarHBondContact O-N 2.89Å; L19-C23 PolarHBondContact O-SG 3.43Å; L19-C71 HydrophobicContact CD2-CB 4.09Å; L19-S72 WeakPolarHBondContact CD2-OG 3.17Å; L19-C75 HydrophobicContact CD1-CB 4.44Å |
| 20 | F | 98 | Very high | 97.3 | Very high | 146 Ų | 146 | 59.2 Ų | 59.2 | 64% | 0.64 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60 | -39.6 | 175.8 | -81.3 | -61.8 | 0 | 0 | 0 | 112.3 | I16 V17 C23 Y24 | I16-F20 HydrophobicContact CG2-CD2 3.73Å; I16-F20 HydrophobicContact CG2-CE2 3.47Å; I16-F20 VanDerWaalsContact CG2-CE2 3.47Å; I16-F20 WeakPolarHBondContact O-CD2 3.49Å; I16-F20 PolarHBondContact O-N 2.77Å; V17-F20 PolarHBondContact O-N 3.48Å; F20-C23 PolarHBondContact O-N 3.4Å; F20-Y24 WeakPolarHBondContact O-CB 3.36Å; F20-Y24 PolarHBondContact O-N 3.49Å |
| 21 | Q | 98 | Very high | 97.2 | Very high | 88 Ų | 88 | 63 Ų | 63 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 173.2 | -70.3 | 179.2 | -20.5 | 0 | 0 | 111.5 | V17 L18 L19 C23 Y24 F25 T36 | V17-Q21 WeakPolarHBondContact O-CG 3.37Å; V17-Q21 PolarHBondContact O-N 3.45Å; V17-Q21 VanDerWaalsContact O-N 3.07Å; L18-Q21 WeakPolarHBondContact O-CB 3.49Å; L18-Q21 PolarHBondContact O-N 2.96Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; L19-Q21 PolarHBondContact O-N 2.68Å; Q21-C23 VanDerWaalsContact C-N 3.32Å; Q21-C23 PolarHBondContact O-N 2.94Å; Q21-Y24 PolarHBondContact O-N 3.46Å; Q21-Y24 VanDerWaalsContact O-N 3.16Å; Q21-F25 VanDerWaalsContact O-CD2 3.23Å; Q21-F25 WeakPolarHBondContact O-CD2 3.37Å; Q21-F25 PolarHBondContact O-N 3.19Å; Q21-F25 VanDerWaalsContact O-N 3.09Å; Q21-T36 HydrophobicContact CB-CG2 4.06Å |
| 22 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.7 | -46.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L18 L19 Y24 F25 M26 T33 T36 Y37 | L18-A22 PolarHBondContact O-N 3.3Å; L19-A22 WeakPolarHBondContact O-CB 3.49Å; L19-A22 PolarHBondContact O-N 3.24Å; L19-A22 VanDerWaalsContact O-N 3.16Å; A22-Y24 PolarHBondContact O-N 3.39Å; A22-F25 PolarHBondContact O-N 3.42Å; A22-M26 WeakPolarHBondContact O-CA 3.36Å; A22-M26 WeakPolarHBondContact O-CB 3.13Å; A22-M26 PolarHBondContact O-N 3.42Å; A22-T33 HydrophobicContact CB-CG2 4.39Å; A22-T33 PolarHBondContact O-OG1 3.3Å; A22-T36 VanDerWaalsContact CA-OG1 3.32Å; A22-T36 WeakPolarHBondContact CA-OG1 3.33Å; A22-T36 WeakPolarHBondContact CB-OG1 3.44Å; A22-T36 PolarHBondContact N-OG1 3.12Å; A22-Y37 HydrophobicContact CB-CD2 4.35Å |
| 23 | C | 97.8 | Very high | 97.2 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 30% | 0.297 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | L19 F20 Q21 F25 M26 C75 | L19-C23 WeakPolarHBondContact O-CB 3.34Å; L19-C23 PolarHBondContact O-N 2.89Å; L19-C23 PolarHBondContact O-SG 3.43Å; F20-C23 PolarHBondContact O-N 3.4Å; Q21-C23 VanDerWaalsContact C-N 3.32Å; Q21-C23 PolarHBondContact O-N 2.94Å; C23-F25 PolarHBondContact O-N 3.44Å; C23-M26 PolarHBondContact O-N 2.81Å; C23-C75 WeakPolarHBondContact SG-CB 3.41Å; C23-C75 PolarHBondContact SG-SG 2.91Å |
| 24 | Y | 97.5 | Very high | 97.1 | Very high | 177 Ų | 177 | 62.5 Ų | 62.5 | 69% | 0.694 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 180 | -178.7 | -97.5 | 0 | 0 | 0 | 112.2 | F20 Q21 A22 | F20-Y24 WeakPolarHBondContact O-CB 3.36Å; F20-Y24 PolarHBondContact O-N 3.49Å; Q21-Y24 PolarHBondContact O-N 3.46Å; Q21-Y24 VanDerWaalsContact O-N 3.16Å; A22-Y24 PolarHBondContact O-N 3.39Å |
| 25 | F | 97.2 | Very high | 97.1 | Very high | 58 Ų | 58 | 63.5 Ų | 63.5 | 25% | 0.254 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -90 | -7.6 | -178.3 | -68.3 | -67.4 | 0 | 0 | 0 | 114.4 | Q21 A22 C23 K27 T28 N29 L32 T33 | Q21-F25 VanDerWaalsContact O-CD2 3.23Å; Q21-F25 WeakPolarHBondContact O-CD2 3.37Å; Q21-F25 PolarHBondContact O-N 3.19Å; Q21-F25 VanDerWaalsContact O-N 3.09Å; A22-F25 PolarHBondContact O-N 3.42Å; C23-F25 PolarHBondContact O-N 3.44Å; F25-K27 PolarHBondContact O-N 3.1Å; F25-T28 PolarHBondContact O-N 3.05Å; F25-T28 PolarHBondContact O-OG1 2.8Å; F25-N29 HydrophobicContact CB-CB 4.36Å; F25-N29 HydrophobicContact CD1-CB 4.38Å; F25-N29 PolarHBondContact O-N 3.28Å; F25-L32 HydrophobicContact CD1-CD2 3.91Å; F25-L32 HydrophobicContact CD2-CD2 3.41Å; F25-L32 VanDerWaalsContact CD2-CD2 3.41Å; F25-L32 HydrophobicContact CD2-CG 3.86Å; F25-L32 HydrophobicContact CE1-CD2 3.89Å; F25-L32 HydrophobicContact CE2-CD2 3.4Å; F25-L32 VanDerWaalsContact CE2-CD2 3.4Å; F25-L32 HydrophobicContact CE2-CG 4.25Å; F25-L32 HydrophobicContact CG-CD2 3.68Å; F25-L32 HydrophobicContact CG-CG 4.17Å; F25-L32 HydrophobicContact CZ-CD2 3.65Å; F25-T33 WeakPolarHBondContact CB-OG1 3.38Å; F25-T33 PolarHBondContact O-OG1 2.98Å |
| 26 | M | 96.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.9 | -168.1 | -154.8 | 167.5 | -92.7 | 0 | 0 | 113.6 | A22 C23 T33 C79 Y153 | A22-M26 WeakPolarHBondContact O-CA 3.36Å; A22-M26 WeakPolarHBondContact O-CB 3.13Å; A22-M26 PolarHBondContact O-N 3.42Å; C23-M26 PolarHBondContact O-N 2.81Å; M26-T33 WeakPolarHBondContact CA-OG1 3.48Å; M26-T33 HydrophobicContact CB-CG2 4.31Å; M26-T33 HydrophobicContact CE-CG2 4.17Å; M26-T33 HydrophobicContact CG-CG2 4Å; M26-T33 PolarHBondContact N-OG1 3.48Å; M26-T33 VanDerWaalsContact N-OG1 3.08Å; M26-C79 HydrophobicContact CG-CB 3.82Å; M26-C79 HydrophobicContact SD-CB 3.31Å; M26-C79 WeakPolarHBondContact SD-CB 3.19Å; M26-Y153 HydrophobicContact CG-CD2 4.2Å; M26-Y153 HydrophobicContact CG-CE2 3.47Å; M26-Y153 VanDerWaalsContact CG-CE2 3.47Å; M26-Y153 VanDerWaalsContact O-CE2 3.23Å; M26-Y153 WeakPolarHBondContact O-CE2 3.38Å; M26-Y153 PolarHBondContact O-OH 2.98Å |
| 27 | K | 92.9 | Very high | 97.1 | Very high | 128 Ų | 128 | 61.7 Ų | 61.7 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -22.9 | 179 | -68.6 | -177.8 | 61.6 | -179.8 | 0 | 114.8 | F25 | F25-K27 PolarHBondContact O-N 3.1Š|
| 28 | T | 93.4 | Very high | 96.9 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -33.3 | -163.5 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | F25 | F25-T28 PolarHBondContact O-N 3.05Å; F25-T28 PolarHBondContact O-OG1 2.8Å |
| 29 | N | 95.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | trans | -139.5 | 95 | -175.5 | -172.3 | -25.9 | 0 | 0 | 0 | 110.9 | F25 E31 L32 T33 | F25-N29 HydrophobicContact CB-CB 4.36Å; F25-N29 HydrophobicContact CD1-CB 4.38Å; F25-N29 PolarHBondContact O-N 3.28Å; N29-E31 PolarHBondContact O-N 3.42Å; N29-E31 PolarHBondContact OD1-N 3.39Å; N29-L32 HydrophobicContact CB-CB 4.23Å; N29-L32 PolarHBondContact O-N 3.17Å; N29-L32 PolarHBondContact OD1-N 3.11Å; N29-T33 WeakPolarHBondContact O-CB 3.17Å; N29-T33 PolarHBondContact O-N 3.33Å; N29-T33 PolarHBondContact O-OG1 2.95Å | ||
| 30 | C | 95.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 179.2 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | L32 T33 L34 Y153 F157 Y158 | C30-L32 PolarHBondContact O-N 3.42Å; C30-T33 PolarHBondContact O-N 3.43Å; C30-L34 WeakPolarHBondContact O-CB 3.35Å; C30-L34 VanDerWaalsContact O-CG 3.26Å; C30-L34 WeakPolarHBondContact O-CG 3.41Å; C30-L34 PolarHBondContact O-N 3.28Å; C30-Y153 HydrophobicContact CB-CE1 4.43Å; C30-F157 HydrophobicContact CB-CB 4.17Å; C30-F157 HydrophobicContact CB-CD1 3.99Å; C30-F157 HydrophobicContact CB-CD2 3.62Å; C30-F157 HydrophobicContact CB-CE1 4.26Å; C30-F157 HydrophobicContact CB-CE2 3.91Å; C30-F157 HydrophobicContact CB-CG 3.66Å; C30-F157 HydrophobicContact CB-CZ 4.22Å; C30-Y158 HydrophobicContact CB-CE2 3.96Å |
| 31 | E | 96 | Very high | 96.7 | Very high | 141 Ų | 141 | 57.5 Ų | 57.5 | 66% | 0.659 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63 | -46 | -176.3 | -62 | 179.7 | 176.3 | 0 | 0 | 112.2 | N29 L34 L35 | N29-E31 PolarHBondContact O-N 3.42Å; N29-E31 PolarHBondContact OD1-N 3.39Å; E31-L34 PolarHBondContact O-N 3.37Å; E31-L35 WeakPolarHBondContact O-CB 3.47Å; E31-L35 PolarHBondContact O-N 3.22Å |
| 32 | L | 97.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 29% | 0.293 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | 179.1 | -174.9 | 56.4 | 0 | 0 | 0 | 111.8 | F25 N29 C30 L35 T36 | F25-L32 HydrophobicContact CD1-CD2 3.91Å; F25-L32 HydrophobicContact CD2-CD2 3.41Å; F25-L32 VanDerWaalsContact CD2-CD2 3.41Å; F25-L32 HydrophobicContact CD2-CG 3.86Å; F25-L32 HydrophobicContact CE1-CD2 3.89Å; F25-L32 HydrophobicContact CE2-CD2 3.4Å; F25-L32 VanDerWaalsContact CE2-CD2 3.4Å; F25-L32 HydrophobicContact CE2-CG 4.25Å; F25-L32 HydrophobicContact CG-CD2 3.68Å; F25-L32 HydrophobicContact CG-CG 4.17Å; F25-L32 HydrophobicContact CZ-CD2 3.65Å; N29-L32 HydrophobicContact CB-CB 4.23Å; N29-L32 PolarHBondContact O-N 3.17Å; N29-L32 PolarHBondContact OD1-N 3.11Å; C30-L32 PolarHBondContact O-N 3.42Å; L32-L35 HydrophobicContact CD1-CD2 4.5Å; L32-L35 PolarHBondContact O-N 2.88Å; L32-T36 HydrophobicContact CD1-CG2 4.24Å; L32-T36 PolarHBondContact O-N 2.87Å; L32-T36 PolarHBondContact O-OG1 3.02Å |
| 33 | T | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 172.4 | -70.3 | 0 | 0 | 0 | 0 | 111.4 | A22 F25 M26 N29 C30 L35 T36 Y37 Y153 | A22-T33 HydrophobicContact CB-CG2 4.39Å; A22-T33 PolarHBondContact O-OG1 3.3Å; F25-T33 WeakPolarHBondContact CB-OG1 3.38Å; F25-T33 PolarHBondContact O-OG1 2.98Å; M26-T33 WeakPolarHBondContact CA-OG1 3.48Å; M26-T33 HydrophobicContact CB-CG2 4.31Å; M26-T33 HydrophobicContact CE-CG2 4.17Å; M26-T33 HydrophobicContact CG-CG2 4Å; M26-T33 PolarHBondContact N-OG1 3.48Å; M26-T33 VanDerWaalsContact N-OG1 3.08Å; N29-T33 WeakPolarHBondContact O-CB 3.17Å; N29-T33 PolarHBondContact O-N 3.33Å; N29-T33 PolarHBondContact O-OG1 2.95Å; C30-T33 PolarHBondContact O-N 3.43Å; T33-L35 PolarHBondContact O-N 2.84Å; T33-T36 PolarHBondContact O-N 2.82Å; T33-T36 PolarHBondContact O-OG1 3.31Å; T33-Y37 WeakPolarHBondContact O-CB 3.48Å; T33-Y37 PolarHBondContact O-N 3.04Å; T33-Y153 WeakPolarHBondContact CB-OH 3.21Å; T33-Y153 HydrophobicContact CG2-CE1 3.79Å; T33-Y153 HydrophobicContact CG2-CE2 4.45Å; T33-Y153 WeakPolarHBondContact CG2-OH 3.46Å |
| 34 | L | 97.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 177.5 | -70.5 | 174.3 | 0 | 0 | 0 | 111.7 | C30 E31 I38 T150 Y153 I154 | C30-L34 WeakPolarHBondContact O-CB 3.35Å; C30-L34 VanDerWaalsContact O-CG 3.26Å; C30-L34 WeakPolarHBondContact O-CG 3.41Å; C30-L34 PolarHBondContact O-N 3.28Å; E31-L34 PolarHBondContact O-N 3.37Å; L34-I38 HydrophobicContact CB-CD1 4.34Å; L34-I38 WeakPolarHBondContact O-CB 3.04Å; L34-I38 WeakPolarHBondContact O-CG1 3.32Å; L34-I38 PolarHBondContact O-N 3.14Å; L34-T150 HydrophobicContact CD2-CG2 3.69Å; L34-Y153 HydrophobicContact CD2-CD1 4.04Å; L34-Y153 HydrophobicContact CD2-CE1 4.24Å; L34-Y153 HydrophobicContact CG-CE1 4.36Å; L34-I154 HydrophobicContact CD1-CD1 3.88Å; L34-I154 HydrophobicContact CD1-CG1 3.67Å; L34-I154 HydrophobicContact CD2-CD1 3.79Å; L34-I154 HydrophobicContact CD2-CG1 3.57Å; L34-I154 HydrophobicContact CG-CD1 4.48Å; L34-I154 HydrophobicContact CG-CG1 4.17Å |
| 35 | L | 97.8 | Very high | 96.2 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.3 | -52.4 | 178.3 | -178.7 | 65.9 | 0 | 0 | 0 | 111.3 | E31 L32 T33 I39 | E31-L35 WeakPolarHBondContact O-CB 3.47Å; E31-L35 PolarHBondContact O-N 3.22Å; L32-L35 HydrophobicContact CD1-CD2 4.5Å; L32-L35 PolarHBondContact O-N 2.88Å; T33-L35 PolarHBondContact O-N 2.84Å; L35-I39 HydrophobicContact CD1-CD1 3.72Å; L35-I39 HydrophobicContact CD1-CG1 4.48Å; L35-I39 HydrophobicContact CG-CD1 3.99Å; L35-I39 WeakPolarHBondContact O-CB 3.34Å; L35-I39 WeakPolarHBondContact O-CD1 3.42Å; L35-I39 WeakPolarHBondContact O-CG1 3.21Å; L35-I39 PolarHBondContact O-N 3.39Å; L35-I39 VanDerWaalsContact O-N 3.11Å |
| 36 | T | 98.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.6 | -40.5 | -177 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | L18 Q21 A22 L32 T33 S40 | L18-T36 HydrophobicContact CD2-CG2 4.29Å; Q21-T36 HydrophobicContact CB-CG2 4.06Å; A22-T36 VanDerWaalsContact CA-OG1 3.32Å; A22-T36 WeakPolarHBondContact CA-OG1 3.33Å; A22-T36 WeakPolarHBondContact CB-OG1 3.44Å; A22-T36 PolarHBondContact N-OG1 3.12Å; L32-T36 HydrophobicContact CD1-CG2 4.24Å; L32-T36 PolarHBondContact O-N 2.87Å; L32-T36 PolarHBondContact O-OG1 3.02Å; T33-T36 PolarHBondContact O-N 2.82Å; T33-T36 PolarHBondContact O-OG1 3.31Å; T36-S40 WeakPolarHBondContact O-CB 3.37Å; T36-S40 PolarHBondContact O-N 3.15Å |
| 37 | Y | 98 | Very high | 96.1 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -51 | 177.3 | -171.2 | -92.4 | 0 | 0 | 0 | 111.8 | A22 T33 I39 S40 C41 L76 E146 | A22-Y37 HydrophobicContact CB-CD2 4.35Å; T33-Y37 WeakPolarHBondContact O-CB 3.48Å; T33-Y37 PolarHBondContact O-N 3.04Å; Y37-I39 PolarHBondContact O-N 3.45Å; Y37-S40 WeakPolarHBondContact O-CB 3.42Å; Y37-S40 PolarHBondContact O-N 3.11Å; Y37-S40 VanDerWaalsContact O-N 3.12Å; Y37-C41 WeakPolarHBondContact CE1-SG 3.46Å; Y37-C41 PolarHBondContact O-N 3.02Å; Y37-C41 PolarHBondContact O-SG 3.27Å; Y37-C41 VanDerWaalsContact O-SG 3.37Å; Y37-L76 HydrophobicContact CE1-CD2 4.06Å; Y37-L76 HydrophobicContact CE2-CB 4.15Å; Y37-L76 HydrophobicContact CE2-CD2 4.45Å; Y37-L76 WeakPolarHBondContact OH-CD2 3.31Å; Y37-E146 PolarHBondContact OH-OE2 3.25Å |
| 38 | I | 96.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 50 Ų | 50 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | -178.9 | -67.5 | 171.6 | 0 | 0 | 0 | 110.7 | L34 S40 C41 L42 | L34-I38 HydrophobicContact CB-CD1 4.34Å; L34-I38 WeakPolarHBondContact O-CB 3.04Å; L34-I38 WeakPolarHBondContact O-CG1 3.32Å; L34-I38 PolarHBondContact O-N 3.14Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.4Å; I38-C41 PolarHBondContact O-N 3.33Å; I38-L42 HydrophobicContact CG2-CD1 3.88Å; I38-L42 HydrophobicContact CG2-CG 4.19Å; I38-L42 WeakPolarHBondContact O-CB 3.42Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.34Å; I38-L42 PolarHBondContact O-N 2.95Å |
| 39 | I | 97.9 | Very high | 96.3 | Very high | 70 Ų | 70 | 48 Ų | 48 | 36% | 0.359 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 174.8 | -67.3 | 169.5 | 0 | 0 | 0 | 110.2 | L18 L35 Y37 C41 L42 L43 | L18-I39 HydrophobicContact CD1-CB 4.29Å; L18-I39 HydrophobicContact CD1-CG2 3.64Å; L35-I39 HydrophobicContact CD1-CD1 3.72Å; L35-I39 HydrophobicContact CD1-CG1 4.48Å; L35-I39 HydrophobicContact CG-CD1 3.99Å; L35-I39 WeakPolarHBondContact O-CB 3.34Å; L35-I39 WeakPolarHBondContact O-CD1 3.42Å; L35-I39 WeakPolarHBondContact O-CG1 3.21Å; L35-I39 PolarHBondContact O-N 3.39Å; L35-I39 VanDerWaalsContact O-N 3.11Å; Y37-I39 PolarHBondContact O-N 3.45Å; I39-C41 VanDerWaalsContact C-N 3.35Å; I39-C41 PolarHBondContact O-N 3.47Å; I39-L42 PolarHBondContact O-N 3.4Å; I39-L43 HydrophobicContact CG2-CD1 4.09Å; I39-L43 HydrophobicContact CG2-CG 4.31Å; I39-L43 WeakPolarHBondContact O-CB 3.42Å; I39-L43 VanDerWaalsContact O-CG 3.28Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 3.02Å |
| 40 | S | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 112.5 | R15 T36 Y37 I38 L43 | R15-S40 WeakPolarHBondContact CA-OG 3.23Å; R15-S40 WeakPolarHBondContact CG-O 3.22Å; R15-S40 PolarHBondContact NE-O 3.49Å; R15-S40 VanDerWaalsContact NE-O 3.11Å; R15-S40 PolarHBondContact O-OG 3.27Å; T36-S40 WeakPolarHBondContact O-CB 3.37Å; T36-S40 PolarHBondContact O-N 3.15Å; Y37-S40 WeakPolarHBondContact O-CB 3.42Å; Y37-S40 PolarHBondContact O-N 3.11Å; Y37-S40 VanDerWaalsContact O-N 3.12Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.4Å; S40-L43 PolarHBondContact O-N 3.29Å |
| 41 | C | 94 | Very high | 96.4 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 176.8 | -66 | 0 | 0 | 0 | 0 | 112.8 | Y37 I38 I39 L43 D44 | Y37-C41 WeakPolarHBondContact CE1-SG 3.46Å; Y37-C41 PolarHBondContact O-N 3.02Å; Y37-C41 PolarHBondContact O-SG 3.27Å; Y37-C41 VanDerWaalsContact O-SG 3.37Å; I38-C41 PolarHBondContact O-N 3.33Å; I39-C41 VanDerWaalsContact C-N 3.35Å; I39-C41 PolarHBondContact O-N 3.47Å; C41-L43 VanDerWaalsContact C-N 3.32Å; C41-D44 WeakPolarHBondContact O-CB 3.46Å; C41-D44 PolarHBondContact O-N 3.33Å |
| 42 | L | 95 | Very high | 96.4 | Very high | 114 Ų | 114 | 45.6 Ų | 45.6 | 60% | 0.597 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -69.2 | -33.3 | 177.5 | -72.7 | 175 | 0 | 0 | 0 | 112.1 | I38 I39 D44 A45 V46 | I38-L42 HydrophobicContact CG2-CD1 3.88Å; I38-L42 HydrophobicContact CG2-CG 4.19Å; I38-L42 WeakPolarHBondContact O-CB 3.42Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.34Å; I38-L42 PolarHBondContact O-N 2.95Å; I39-L42 PolarHBondContact O-N 3.4Å; L42-D44 PolarHBondContact O-N 3.17Å; L42-A45 PolarHBondContact O-N 2.98Å; L42-V46 PolarHBondContact O-N 2.88Å |
| 43 | L | 97.2 | Very high | 96.4 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -19.3 | 177.6 | -76.8 | 177.5 | 0 | 0 | 0 | 113.4 | I11 I14 R15 L18 I39 S40 C41 V46 D47 | I11-L43 HydrophobicContact CG2-CB 3.86Å; I11-L43 HydrophobicContact CG2-CD1 4.46Å; I11-L43 HydrophobicContact CG2-CD2 4.01Å; I11-L43 HydrophobicContact CG2-CG 4.33Å; I14-L43 HydrophobicContact CG2-CD1 3.91Å; R15-L43 HydrophobicContact CG-CB 3.51Å; R15-L43 HydrophobicContact CG-CD1 4.11Å; R15-L43 HydrophobicContact CG-CG 4.49Å; L18-L43 HydrophobicContact CD1-CD1 3.71Å; I39-L43 HydrophobicContact CG2-CD1 4.09Å; I39-L43 HydrophobicContact CG2-CG 4.31Å; I39-L43 WeakPolarHBondContact O-CB 3.42Å; I39-L43 VanDerWaalsContact O-CG 3.28Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 3.02Å; S40-L43 PolarHBondContact O-N 3.29Å; C41-L43 VanDerWaalsContact C-N 3.32Å; L43-V46 HydrophobicContact CD2-CB 4.3Å; L43-V46 HydrophobicContact CD2-CG2 4.39Å; L43-V46 PolarHBondContact O-N 3.33Å; L43-D47 PolarHBondContact O-N 3.25Å |
| 44 | D | 94.3 | Very high | 96.3 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.4 | -54.8 | 168.6 | -174.9 | 79.6 | 0 | 0 | 0 | 112 | R15 C41 L42 V46 D47 G48 D69 | R15-D44 VanDerWaalsContact CZ-CA 3.48Å; R15-D44 IonicContact CZ-OD1 2.74Å; R15-D44 VanDerWaalsContact CZ-OD1 3.28Å; R15-D44 IonicContact NH1-OD1 3.72Å; R15-D44 PolarHBondContact NH1-OD1 3.07Å; R15-D44 VanDerWaalsContact NH1-OD1 3.11Å; R15-D44 IonicContact NH2-OD1 2.91Å; R15-D44 PolarHBondContact NH2-OD1 2.85Å; C41-D44 WeakPolarHBondContact O-CB 3.46Å; C41-D44 PolarHBondContact O-N 3.33Å; L42-D44 PolarHBondContact O-N 3.17Å; D44-V46 PolarHBondContact O-N 3.47Å; D44-D47 VanDerWaalsContact O-CG 3.24Å; D44-D47 PolarHBondContact O-N 2.59Å; D44-G48 PolarHBondContact O-N 3.45Å; D44-D69 VanDerWaalsContact OD1-OD1 3.1Å |
| 45 | A | 93.2 | Very high | 96.2 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.8 | -33.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L42 C49 | L42-A45 PolarHBondContact O-N 2.98Å; A45-C49 WeakPolarHBondContact O-CB 3.31Å; A45-C49 PolarHBondContact O-N 2.85Å; A45-C49 VanDerWaalsContact O-N 3.09Å; A45-C49 PolarHBondContact O-SG 2.9Å |
| 46 | V | 96.8 | Very high | 96.1 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.4 | -43.9 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | I11 L42 L43 D44 G48 C49 A50 | I11-V46 HydrophobicContact CD1-CG1 4.16Å; L42-V46 PolarHBondContact O-N 2.88Å; L43-V46 HydrophobicContact CD2-CB 4.3Å; L43-V46 HydrophobicContact CD2-CG2 4.39Å; L43-V46 PolarHBondContact O-N 3.33Å; D44-V46 PolarHBondContact O-N 3.47Å; V46-G48 VanDerWaalsContact C-N 3.34Å; V46-G48 PolarHBondContact O-N 3.41Å; V46-C49 PolarHBondContact O-N 2.9Å; V46-A50 WeakPolarHBondContact O-CB 3.42Å; V46-A50 PolarHBondContact O-N 3.1Å |
| 47 | D | 96.8 | Very high | 96 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 179.3 | 70.3 | 41.9 | 0 | 0 | 0 | 111.7 | P8 I11 R15 L43 D44 C49 A50 A51 | P8-D47 HydrophobicContact CB-CB 4.24Å; I11-D47 HydrophobicContact CB-CB 3.9Å; I11-D47 HydrophobicContact CD1-CB 4.3Å; I11-D47 HydrophobicContact CG2-CB 3.76Å; R15-D47 WeakPolarHBondContact CD-OD2 3.5Å; R15-D47 IonicContact CZ-OD2 3.61Å; R15-D47 IonicContact NE-OD2 2.94Å; R15-D47 IonicContact NH1-OD2 2.87Å; R15-D47 PolarHBondContact NH1-OD2 3.11Å; L43-D47 PolarHBondContact O-N 3.25Å; D44-D47 VanDerWaalsContact O-CG 3.24Å; D44-D47 PolarHBondContact O-N 2.59Å; D47-C49 VanDerWaalsContact C-N 3.34Å; D47-C49 PolarHBondContact O-N 2.96Å; D47-A50 PolarHBondContact O-N 3.13Å; D47-A51 WeakPolarHBondContact O-CB 3.37Å; D47-A51 PolarHBondContact O-N 3.19Å |
| 48 | G | 93.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 17% | 0.165 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.8 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | D44 V46 R52 | D44-G48 PolarHBondContact O-N 3.45Å; V46-G48 VanDerWaalsContact C-N 3.34Å; V46-G48 PolarHBondContact O-N 3.41Å; G48-R52 WeakPolarHBondContact O-CG 3.4Å; G48-R52 PolarHBondContact O-N 3.32Å; G48-R52 PolarHBondContact O-NE 2.9Å; G48-R52 PolarHBondContact O-NH1 3.06Å; G48-R52 VanDerWaalsContact O-NH1 3.12Å; G48-R52 PolarHBondContact O-NH2 3.4Å |
| 49 | C | 95.3 | Very high | 95.5 | Very high | 68 Ų | 68 | 62.5 Ų | 62.5 | 46% | 0.459 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 173.4 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | A45 V46 D47 A51 R52 A53 | A45-C49 WeakPolarHBondContact O-CB 3.31Å; A45-C49 PolarHBondContact O-N 2.85Å; A45-C49 VanDerWaalsContact O-N 3.09Å; A45-C49 PolarHBondContact O-SG 2.9Å; V46-C49 PolarHBondContact O-N 2.9Å; D47-C49 VanDerWaalsContact C-N 3.34Å; D47-C49 PolarHBondContact O-N 2.96Å; C49-A51 VanDerWaalsContact C-N 3.31Å; C49-A51 PolarHBondContact O-N 3.36Å; C49-R52 PolarHBondContact O-N 3.18Å; C49-R52 PolarHBondContact SG-NH2 2.95Å; C49-A53 VanDerWaalsContact O-CB 3.31Å; C49-A53 WeakPolarHBondContact O-CB 3.36Å; C49-A53 PolarHBondContact O-N 3.47Å |
| 50 | A | 97.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I7 P8 I11 V46 D47 R52 A53 L54 | I7-A50 HydrophobicContact CG2-CB 4.28Å; P8-A50 HydrophobicContact CG-CB 4.13Å; I11-A50 HydrophobicContact CD1-CB 4.13Å; V46-A50 WeakPolarHBondContact O-CB 3.42Å; V46-A50 PolarHBondContact O-N 3.1Å; D47-A50 PolarHBondContact O-N 3.13Å; A50-R52 VanDerWaalsContact C-N 3.32Å; A50-R52 PolarHBondContact O-N 3.2Å; A50-A53 PolarHBondContact O-N 3.17Å; A50-L54 HydrophobicContact CB-CD1 4.39Å; A50-L54 VanDerWaalsContact O-CB 3.25Å; A50-L54 WeakPolarHBondContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 3.04Å |
| 51 | A | 97.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 11% | 0.107 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | P8 D47 C49 N55 Q56 S57 | P8-A51 HydrophobicContact CB-CB 4.01Å; P8-A51 HydrophobicContact CG-CB 3.57Å; D47-A51 WeakPolarHBondContact O-CB 3.37Å; D47-A51 PolarHBondContact O-N 3.19Å; C49-A51 VanDerWaalsContact C-N 3.31Å; C49-A51 PolarHBondContact O-N 3.36Å; A51-N55 CarbonylContact O-C 3.59Å; A51-N55 PolarHBondContact O-N 3.31Å; A51-Q56 PolarHBondContact O-N 3.09Å; A51-S57 PolarHBondContact O-N 3.43Å; A51-S57 PolarHBondContact O-OG 3.27Å |
| 52 | R | 95 | Very high | 95.2 | Very high | 126 Ų | 126 | 64.3 Ų | 64.3 | 48% | 0.475 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.3 | -46.1 | 177.2 | -67.9 | -177.1 | -65.3 | -89.5 | 0.9 | 112.4 | G48 C49 A50 L54 N55 | G48-R52 WeakPolarHBondContact O-CG 3.4Å; G48-R52 PolarHBondContact O-N 3.32Å; G48-R52 PolarHBondContact O-NE 2.9Å; G48-R52 PolarHBondContact O-NH1 3.06Å; G48-R52 VanDerWaalsContact O-NH1 3.12Å; G48-R52 PolarHBondContact O-NH2 3.4Å; C49-R52 PolarHBondContact O-N 3.18Å; C49-R52 PolarHBondContact SG-NH2 2.95Å; A50-R52 VanDerWaalsContact C-N 3.32Å; A50-R52 PolarHBondContact O-N 3.2Å; R52-L54 VanDerWaalsContact C-N 3.28Å; R52-L54 PolarHBondContact O-N 3.29Å; R52-N55 PolarHBondContact O-N 2.91Å |
| 53 | A | 97.5 | Very high | 95.1 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.8 | -33.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C49 A50 | C49-A53 VanDerWaalsContact O-CB 3.31Å; C49-A53 WeakPolarHBondContact O-CB 3.36Å; C49-A53 PolarHBondContact O-N 3.47Å; A50-A53 PolarHBondContact O-N 3.17Å |
| 54 | L | 96.5 | Very high | 95.1 | Very high | 81 Ų | 81 | 62 Ų | 62 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 3.8 | -177 | -58.2 | 170.9 | 0 | 0 | 0 | 113.5 | I7 A50 R52 Q56 | I7-L54 HydrophobicContact CB-CD1 3.86Å; I7-L54 HydrophobicContact CD1-CD1 3.49Å; I7-L54 VanDerWaalsContact CD1-CD1 3.49Å; I7-L54 HydrophobicContact CG1-CD1 4.23Å; I7-L54 HydrophobicContact CG2-CD1 4.09Å; A50-L54 HydrophobicContact CB-CD1 4.39Å; A50-L54 VanDerWaalsContact O-CB 3.25Å; A50-L54 WeakPolarHBondContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 3.04Å; R52-L54 VanDerWaalsContact C-N 3.28Å; R52-L54 PolarHBondContact O-N 3.29Å; L54-Q56 HydrophobicContact CB-CB 4.4Å; L54-Q56 HydrophobicContact CB-CG 3.99Å; L54-Q56 PolarHBondContact O-N 3.16Å |
| 55 | N | 95.5 | Very high | 95.1 | Very high | 151 Ų | 151 | 62 Ų | 62 | 81% | 0.807 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.1 | -172.1 | -63.3 | -58.7 | 0 | 0 | 0 | 113.2 | A51 R52 | A51-N55 CarbonylContact O-C 3.59Å; A51-N55 PolarHBondContact O-N 3.31Å; R52-N55 PolarHBondContact O-N 2.91Å |
| 56 | Q | 96.4 | Very high | 95.2 | Very high | 27 Ų | 27 | 61 Ų | 61 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | trans | -106.6 | 19.2 | -178.7 | -73.2 | -176.4 | -12.5 | 0 | 0 | 113.2 | F6 P8 A51 L54 T58 | F6-Q56 HydrophobicContact CB-CB 4.22Å; F6-Q56 HydrophobicContact CB-CG 4.34Å; F6-Q56 HydrophobicContact CD1-CG 4.49Å; F6-Q56 HydrophobicContact CD2-CB 3.76Å; F6-Q56 HydrophobicContact CD2-CG 3.94Å; F6-Q56 HydrophobicContact CE2-CB 4.36Å; F6-Q56 HydrophobicContact CE2-CG 4.32Å; F6-Q56 HydrophobicContact CG-CB 4.15Å; F6-Q56 HydrophobicContact CG-CG 4.03Å; P8-Q56 HydrophobicContact CG-CB 4.12Å; A51-Q56 PolarHBondContact O-N 3.09Å; L54-Q56 HydrophobicContact CB-CB 4.4Å; L54-Q56 HydrophobicContact CB-CG 3.99Å; L54-Q56 PolarHBondContact O-N 3.16Å; Q56-T58 PolarHBondContact O-N 3.11Å | ||
| 57 | S | 94.5 | Very high | 95.1 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | trans | -65.1 | 118.6 | 174.8 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | A51 | A51-S57 PolarHBondContact O-N 3.43Å; A51-S57 PolarHBondContact O-OG 3.27Å | ||
| 58 | T | 94.2 | Very high | 95.2 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | trans | -135.3 | 157.1 | -179.4 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | V3 F6 Q56 F60 G61 A62 | V3-T58 HydrophobicContact CG1-CG2 3.89Å; V3-T58 HydrophobicContact CG2-CG2 4.47Å; F6-T58 HydrophobicContact CD2-CG2 3.83Å; F6-T58 HydrophobicContact CE2-CG2 3.62Å; Q56-T58 PolarHBondContact O-N 3.11Å; T58-F60 VanDerWaalsContact C-N 3.27Å; T58-F60 PolarHBondContact O-N 2.87Å; T58-G61 PolarHBondContact O-N 3.12Å; T58-G61 PolarHBondContact OG1-N 2.98Å; T58-G61 VanDerWaalsContact OG1-N 3.1Å; T58-A62 PolarHBondContact O-N 3.44Å | ||
| 59 | K | 91 | Very high | 95.3 | Very high | 181 Ų | 181 | 61.6 Ų | 61.6 | 79% | 0.787 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.6 | -39.4 | 174.6 | -66.4 | -176.6 | -179.4 | 179.9 | 0 | 112 | M63 | K59-M63 WeakPolarHBondContact O-CB 3.49Å; K59-M63 PolarHBondContact O-N 3.03Å |
| 60 | F | 94.7 | Very high | 95.3 | Very high | 73 Ų | 73 | 60 Ų | 60 | 32% | 0.32 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 176.1 | 173.8 | -100.5 | 0 | 0 | 0 | 111.3 | V3 F4 N9 Y13 T58 A62 M63 L64 | V3-F60 HydrophobicContact CG1-CB 4.22Å; V3-F60 HydrophobicContact CG1-CD1 4.26Å; F4-F60 HydrophobicContact CD1-CD1 4.34Å; F4-F60 AromaticContact CD1-CE1 3.86Å; F4-F60 HydrophobicContact CD1-CE1 3.86Å; F4-F60 HydrophobicContact CD1-CE2 4.29Å; F4-F60 AromaticContact CD1-CZ 3.83Å; F4-F60 HydrophobicContact CD1-CZ 3.83Å; F4-F60 HydrophobicContact CE1-CD2 4.28Å; F4-F60 HydrophobicContact CE1-CE1 4.3Å; F4-F60 AromaticContact CE1-CE2 3.97Å; F4-F60 HydrophobicContact CE1-CE2 3.97Å; F4-F60 AromaticContact CE1-CZ 3.99Å; F4-F60 HydrophobicContact CE1-CZ 3.99Å; N9-F60 HydrophobicContact CB-CE1 4.34Å; Y13-F60 HydrophobicContact CE1-CZ 4.49Å; Y13-F60 WeakPolarHBondContact OH-CE1 3.45Å; T58-F60 VanDerWaalsContact C-N 3.27Å; T58-F60 PolarHBondContact O-N 2.87Å; F60-A62 PolarHBondContact O-N 3.32Å; F60-M63 PolarHBondContact O-N 2.91Å; F60-L64 HydrophobicContact CE1-CD2 4.17Å; F60-L64 HydrophobicContact CZ-CD2 4.4Å; F60-L64 WeakPolarHBondContact O-CB 3.49Å; F60-L64 PolarHBondContact O-N 3.47Å |
| 61 | G | 95.5 | Very high | 95.3 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N9 T58 M63 L64 D65 | N9-G61 WeakPolarHBondContact OD1-CA 3.32Å; T58-G61 PolarHBondContact O-N 3.12Å; T58-G61 PolarHBondContact OG1-N 2.98Å; T58-G61 VanDerWaalsContact OG1-N 3.1Å; G61-M63 VanDerWaalsContact C-N 3.3Å; G61-M63 PolarHBondContact O-N 2.7Å; G61-L64 PolarHBondContact O-N 3.37Å; G61-D65 VanDerWaalsContact O-CB 3.22Å; G61-D65 WeakPolarHBondContact O-CB 3.41Å; G61-D65 PolarHBondContact O-N 3.36Å |
| 62 | A | 92.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 61 Ų | 61 | 49% | 0.488 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -34.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T58 F60 M66 | T58-A62 PolarHBondContact O-N 3.44Å; F60-A62 PolarHBondContact O-N 3.32Å; A62-M66 WeakPolarHBondContact O-CB 3.49Å; A62-M66 PolarHBondContact O-N 2.92Å |
| 63 | M | 93.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 39% | 0.394 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.1 | -41.6 | 175.9 | -179.8 | 175.8 | -96.7 | 0 | 0 | 111.7 | K59 F60 G61 D65 I67 L106 | K59-M63 WeakPolarHBondContact O-CB 3.49Å; K59-M63 PolarHBondContact O-N 3.03Å; F60-M63 PolarHBondContact O-N 2.91Å; G61-M63 VanDerWaalsContact C-N 3.3Å; G61-M63 PolarHBondContact O-N 2.7Å; M63-D65 VanDerWaalsContact C-N 3.35Å; M63-I67 HydrophobicContact CG-CD1 3.77Å; M63-I67 HydrophobicContact CG-CG1 4.48Å; M63-I67 WeakPolarHBondContact O-CB 3.41Å; M63-I67 VanDerWaalsContact O-CG1 3.23Å; M63-I67 WeakPolarHBondContact O-CG1 3.41Å; M63-I67 PolarHBondContact O-N 2.93Å; M63-L106 HydrophobicContact CE-CD2 3.59Å; M63-L106 HydrophobicContact CG-CD2 4.23Å |
| 64 | L | 96 | Very high | 95.4 | Very high | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 175.1 | 179.7 | 65.3 | 0 | 0 | 0 | 110.4 | N9 Y13 I16 F60 G61 I67 V68 | N9-L64 HydrophobicContact CB-CD2 4.43Å; Y13-L64 HydrophobicContact CD1-CD2 3.97Å; Y13-L64 HydrophobicContact CE1-CD1 4.49Å; Y13-L64 HydrophobicContact CE1-CD2 3.59Å; I16-L64 HydrophobicContact CD1-CD1 3.97Å; F60-L64 HydrophobicContact CE1-CD2 4.17Å; F60-L64 HydrophobicContact CZ-CD2 4.4Å; F60-L64 WeakPolarHBondContact O-CB 3.49Å; F60-L64 PolarHBondContact O-N 3.47Å; G61-L64 PolarHBondContact O-N 3.37Å; L64-I67 PolarHBondContact O-N 2.75Å; L64-V68 HydrophobicContact CD1-CG2 4.19Å; L64-V68 HydrophobicContact CG-CG2 4.45Å; L64-V68 VanDerWaalsContact O-CG2 3.28Å; L64-V68 WeakPolarHBondContact O-CG2 3.46Å; L64-V68 PolarHBondContact O-N 2.63Å |
| 65 | D | 95.3 | Very high | 95.5 | Very high | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.4 | -57.5 | 177 | -178.7 | 39.5 | 0 | 0 | 0 | 112 | R15 G61 M63 I67 V68 D69 | R15-D65 IonicContact CZ-OD1 3.7Å; R15-D65 IonicContact NH1-OD1 4Å; R15-D65 PolarHBondContact NH1-OD1 3.23Å; R15-D65 IonicContact NH2-OD1 3.28Å; G61-D65 VanDerWaalsContact O-CB 3.22Å; G61-D65 WeakPolarHBondContact O-CB 3.41Å; G61-D65 PolarHBondContact O-N 3.36Å; M63-D65 VanDerWaalsContact C-N 3.35Å; D65-I67 VanDerWaalsContact C-N 3.32Å; D65-I67 PolarHBondContact O-N 3.5Å; D65-V68 PolarHBondContact O-N 3.15Å; D65-D69 PolarHBondContact O-N 3.09Å |
| 66 | M | 94.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 46 Ų | 46 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.4 | -46.5 | 177 | -174.3 | -159.7 | 73.4 | 0 | 0 | 112.2 | A62 D69 R70 H102 L106 | A62-M66 WeakPolarHBondContact O-CB 3.49Å; A62-M66 PolarHBondContact O-N 2.92Å; M66-D69 WeakPolarHBondContact O-CB 3.49Å; M66-R70 VanDerWaalsContact O-CG 3.27Å; M66-R70 WeakPolarHBondContact O-CG 3.29Å; M66-R70 PolarHBondContact O-N 2.84Å; M66-H102 HydrophobicContact SD-CB 4.1Å; M66-L106 HydrophobicContact CE-CD2 3.46Å; M66-L106 VanDerWaalsContact CE-CD2 3.46Å; M66-L106 HydrophobicContact SD-CB 3.99Å; M66-L106 HydrophobicContact SD-CD2 3.69Å; M66-L106 HydrophobicContact SD-CG 4.31Å |
| 67 | I | 95.6 | Very high | 95.7 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 35% | 0.354 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -45.7 | -177.8 | -71.2 | 168.8 | 0 | 0 | 0 | 111 | M63 L64 D65 D69 R70 C71 | M63-I67 HydrophobicContact CG-CD1 3.77Å; M63-I67 HydrophobicContact CG-CG1 4.48Å; M63-I67 WeakPolarHBondContact O-CB 3.41Å; M63-I67 VanDerWaalsContact O-CG1 3.23Å; M63-I67 WeakPolarHBondContact O-CG1 3.41Å; M63-I67 PolarHBondContact O-N 2.93Å; L64-I67 PolarHBondContact O-N 2.75Å; D65-I67 VanDerWaalsContact C-N 3.32Å; D65-I67 PolarHBondContact O-N 3.5Å; I67-D69 VanDerWaalsContact C-N 3.32Å; I67-D69 PolarHBondContact O-N 3.37Å; I67-R70 PolarHBondContact O-N 3.38Å; I67-C71 WeakPolarHBondContact O-CB 3.48Å; I67-C71 PolarHBondContact O-N 2.66Å; I67-C71 PolarHBondContact O-SG 2.85Å; I67-C71 VanDerWaalsContact O-SG 3.36Å |
| 68 | V | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | -178.5 | 174 | 0 | 0 | 0 | 0 | 110.9 | R15 I16 L64 D65 S72 | R15-V68 HydrophobicContact CB-CG1 3.85Å; I16-V68 HydrophobicContact CD1-CG2 3.86Å; I16-V68 HydrophobicContact CG1-CG1 4.44Å; I16-V68 HydrophobicContact CG1-CG2 3.5Å; L64-V68 HydrophobicContact CD1-CG2 4.19Å; L64-V68 HydrophobicContact CG-CG2 4.45Å; L64-V68 VanDerWaalsContact O-CG2 3.28Å; L64-V68 WeakPolarHBondContact O-CG2 3.46Å; L64-V68 PolarHBondContact O-N 2.63Å; D65-V68 PolarHBondContact O-N 3.15Å; V68-S72 WeakPolarHBondContact O-CB 3.19Å; V68-S72 PolarHBondContact O-N 3.29Å; V68-S72 PolarHBondContact O-OG 3.11Å |
| 69 | D | 95.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 19% | 0.193 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.4 | -53.9 | 171.5 | -105.1 | 13.5 | 0 | 0 | 0 | 112.2 | R15 D44 D65 M66 I67 C71 S72 T73 | R15-D69 IonicContact NH2-OD1 3.51Å; R15-D69 PolarHBondContact NH2-OD1 3.26Å; D44-D69 VanDerWaalsContact OD1-OD1 3.1Å; D65-D69 PolarHBondContact O-N 3.09Å; M66-D69 WeakPolarHBondContact O-CB 3.49Å; I67-D69 VanDerWaalsContact C-N 3.32Å; I67-D69 PolarHBondContact O-N 3.37Å; D69-C71 VanDerWaalsContact C-N 3.34Å; D69-C71 PolarHBondContact O-N 3.24Å; D69-S72 WeakPolarHBondContact O-CB 3.41Å; D69-S72 PolarHBondContact O-N 3.36Å; D69-S72 VanDerWaalsContact O-N 3.15Å; D69-T73 PolarHBondContact O-N 3.05Å; D69-T73 VanDerWaalsContact O-N 3.09Å; D69-T73 PolarHBondContact O-OG1 3.09Å |
| 70 | R | 95.7 | Very high | 96.5 | Very high | 35 Ų | 35 | 33.6 Ų | 33.6 | 13% | 0.132 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | -177.1 | -65.6 | -38.1 | 91.2 | 168 | 0.6 | 111.6 | M66 I67 S72 M74 D98 H102 | M66-R70 VanDerWaalsContact O-CG 3.27Å; M66-R70 WeakPolarHBondContact O-CG 3.29Å; M66-R70 PolarHBondContact O-N 2.84Å; I67-R70 PolarHBondContact O-N 3.38Å; R70-S72 VanDerWaalsContact C-N 3.32Å; R70-S72 PolarHBondContact O-N 3.43Å; R70-M74 VanDerWaalsContact O-CB 3.24Å; R70-M74 WeakPolarHBondContact O-CB 3.37Å; R70-M74 PolarHBondContact O-N 3.44Å; R70-D98 WeakPolarHBondContact CD-OD2 3.48Å; R70-D98 IonicContact CZ-OD2 2.76Å; R70-D98 IonicContact NE-OD2 2.67Å; R70-D98 VanDerWaalsContact NH1-CG 3.29Å; R70-D98 IonicContact NH1-OD1 3.84Å; R70-D98 PolarHBondContact NH1-OD1 3.44Å; R70-D98 IonicContact NH1-OD2 2.81Å; R70-D98 PolarHBondContact NH1-OD2 3.23Å; R70-H102 PolarHBondContact NH1-CE1 2.98Å; R70-H102 PolarHBondContact NH1-NE2 3Å |
| 71 | C | 97.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 32% | 0.318 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.1 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | L19 I67 D69 M74 C75 | L19-C71 HydrophobicContact CD2-CB 4.09Å; I67-C71 WeakPolarHBondContact O-CB 3.48Å; I67-C71 PolarHBondContact O-N 2.66Å; I67-C71 PolarHBondContact O-SG 2.85Å; I67-C71 VanDerWaalsContact O-SG 3.36Å; D69-C71 VanDerWaalsContact C-N 3.34Å; D69-C71 PolarHBondContact O-N 3.24Å; C71-M74 PolarHBondContact O-N 3.45Å; C71-C75 WeakPolarHBondContact O-CB 3.44Å; C71-C75 PolarHBondContact O-N 2.69Å; C71-C75 PolarHBondContact O-SG 3.38Å |
| 72 | S | 97.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -54.2 | 178.3 | -59 | 0 | 0 | 0 | 0 | 111.5 | L19 V68 D69 R70 M74 C75 L76 | L19-S72 WeakPolarHBondContact CD2-OG 3.17Å; V68-S72 WeakPolarHBondContact O-CB 3.19Å; V68-S72 PolarHBondContact O-N 3.29Å; V68-S72 PolarHBondContact O-OG 3.11Å; D69-S72 WeakPolarHBondContact O-CB 3.41Å; D69-S72 PolarHBondContact O-N 3.36Å; D69-S72 VanDerWaalsContact O-N 3.15Å; R70-S72 VanDerWaalsContact C-N 3.32Å; R70-S72 PolarHBondContact O-N 3.43Å; S72-M74 VanDerWaalsContact C-N 3.3Å; S72-M74 PolarHBondContact O-N 2.92Å; S72-C75 PolarHBondContact O-N 3.27Å; S72-L76 PolarHBondContact O-N 3.49Å; S72-L76 VanDerWaalsContact O-N 3.09Å |
| 73 | T | 97 | Very high | 97 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 178.3 | -46.3 | 0 | 0 | 0 | 0 | 111.5 | D69 L76 L77 E146 Y149 | D69-T73 PolarHBondContact O-N 3.05Å; D69-T73 VanDerWaalsContact O-N 3.09Å; D69-T73 PolarHBondContact O-OG1 3.09Å; T73-L76 PolarHBondContact O-N 2.86Å; T73-L77 HydrophobicContact CG2-CD1 3.9Å; T73-L77 HydrophobicContact CG2-CG 4.33Å; T73-L77 WeakPolarHBondContact O-CB 3.43Å; T73-L77 VanDerWaalsContact O-CG 3.27Å; T73-L77 WeakPolarHBondContact O-CG 3.19Å; T73-L77 PolarHBondContact O-N 3.28Å; T73-E146 VanDerWaalsContact CG2-OE1 3.32Å; T73-E146 WeakPolarHBondContact CG2-OE1 3.41Å; T73-E146 PolarHBondContact OG1-OE1 3.39Å; T73-Y149 HydrophobicContact CG2-CD2 4.32Å |
| 74 | M | 97.9 | Very high | 97.2 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 36% | 0.36 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 177.6 | -176.8 | 178.1 | 63.4 | 0 | 0 | 112.1 | R70 C71 S72 L76 L77 A78 M95 I99 | R70-M74 VanDerWaalsContact O-CB 3.24Å; R70-M74 WeakPolarHBondContact O-CB 3.37Å; R70-M74 PolarHBondContact O-N 3.44Å; C71-M74 PolarHBondContact O-N 3.45Å; S72-M74 VanDerWaalsContact C-N 3.3Å; S72-M74 PolarHBondContact O-N 2.92Å; M74-L76 VanDerWaalsContact C-N 3.35Å; M74-L77 PolarHBondContact O-N 2.89Å; M74-A78 WeakPolarHBondContact O-CB 3.39Å; M74-A78 PolarHBondContact O-N 3.33Å; M74-M95 HydrophobicContact CG-CG 4.43Å; M74-M95 HydrophobicContact CG-SD 3.84Å; M74-I99 HydrophobicContact SD-CD1 3.77Å |
| 75 | C | 98.2 | Very high | 97.3 | Very high | 39 Ų | 39 | 37.3 Ų | 37.3 | 26% | 0.264 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.3 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | L19 C23 C71 S72 A78 C79 | L19-C75 HydrophobicContact CD1-CB 4.44Å; C23-C75 WeakPolarHBondContact SG-CB 3.41Å; C23-C75 PolarHBondContact SG-SG 2.91Å; C71-C75 WeakPolarHBondContact O-CB 3.44Å; C71-C75 PolarHBondContact O-N 2.69Å; C71-C75 PolarHBondContact O-SG 3.38Å; S72-C75 PolarHBondContact O-N 3.27Å; C75-A78 PolarHBondContact O-N 3.36Å; C75-C79 PolarHBondContact O-N 2.93Å; C75-C79 VanDerWaalsContact O-N 3.11Å |
| 76 | L | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 174.6 | -179.6 | 60.7 | 0 | 0 | 0 | 111.5 | Y37 S72 T73 M74 A78 C79 L80 Y153 | Y37-L76 HydrophobicContact CE1-CD2 4.06Å; Y37-L76 HydrophobicContact CE2-CB 4.15Å; Y37-L76 HydrophobicContact CE2-CD2 4.45Å; Y37-L76 WeakPolarHBondContact OH-CD2 3.31Å; S72-L76 PolarHBondContact O-N 3.49Å; S72-L76 VanDerWaalsContact O-N 3.09Å; T73-L76 PolarHBondContact O-N 2.86Å; M74-L76 VanDerWaalsContact C-N 3.35Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 2.99Å; L76-C79 PolarHBondContact O-N 3.16Å; L76-C79 VanDerWaalsContact O-N 3.13Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 2.93Å; L76-Y153 HydrophobicContact CD1-CD2 4.19Å; L76-Y153 HydrophobicContact CD1-CG 4Å |
| 77 | L | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -39 | 177.7 | -75.1 | 171 | 0 | 0 | 0 | 112.4 | T73 M74 C79 L80 I81 F91 M95 Y149 | T73-L77 HydrophobicContact CG2-CD1 3.9Å; T73-L77 HydrophobicContact CG2-CG 4.33Å; T73-L77 WeakPolarHBondContact O-CB 3.43Å; T73-L77 VanDerWaalsContact O-CG 3.27Å; T73-L77 WeakPolarHBondContact O-CG 3.19Å; T73-L77 PolarHBondContact O-N 3.28Å; M74-L77 PolarHBondContact O-N 2.89Å; L77-C79 VanDerWaalsContact C-N 3.31Å; L77-C79 PolarHBondContact O-N 3.01Å; L77-L80 HydrophobicContact CD2-CD1 4.33Å; L77-L80 PolarHBondContact O-N 3Å; L77-I81 WeakPolarHBondContact O-CG1 3.48Å; L77-I81 PolarHBondContact O-N 3.33Å; L77-F91 HydrophobicContact CD2-CB 4.11Å; L77-F91 HydrophobicContact CD2-CD1 3.6Å; L77-F91 HydrophobicContact CD2-CE1 4.44Å; L77-F91 HydrophobicContact CD2-CG 4.18Å; L77-M95 HydrophobicContact CB-CG 3.68Å; L77-M95 HydrophobicContact CB-SD 3.69Å; L77-M95 HydrophobicContact CD1-CB 4.47Å; L77-M95 HydrophobicContact CD1-CG 3.38Å; L77-M95 HydrophobicContact CG-CG 4.14Å; L77-Y149 HydrophobicContact CD2-CD1 3.56Å; L77-Y149 HydrophobicContact CD2-CD2 4.22Å; L77-Y149 HydrophobicContact CD2-CE1 3.45Å; L77-Y149 VanDerWaalsContact CD2-CE1 3.45Å; L77-Y149 HydrophobicContact CD2-CE2 4.1Å; L77-Y149 HydrophobicContact CD2-CG 3.97Å |
| 78 | A | 98.2 | Very high | 97.6 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M74 C75 L76 I81 Y82 | M74-A78 WeakPolarHBondContact O-CB 3.39Å; M74-A78 PolarHBondContact O-N 3.33Å; C75-A78 PolarHBondContact O-N 3.36Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 2.99Å; A78-I81 PolarHBondContact O-N 3.14Å; A78-Y82 PolarHBondContact O-N 3.29Å |
| 79 | C | 98.1 | Very high | 97.7 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.1 | -36.7 | 173.1 | -167.6 | 0 | 0 | 0 | 0 | 112.5 | M26 C75 L76 L77 I81 Y82 F83 | M26-C79 HydrophobicContact CG-CB 3.82Å; M26-C79 HydrophobicContact SD-CB 3.31Å; M26-C79 WeakPolarHBondContact SD-CB 3.19Å; C75-C79 PolarHBondContact O-N 2.93Å; C75-C79 VanDerWaalsContact O-N 3.11Å; L76-C79 PolarHBondContact O-N 3.16Å; L76-C79 VanDerWaalsContact O-N 3.13Å; L77-C79 VanDerWaalsContact C-N 3.31Å; L77-C79 PolarHBondContact O-N 3.01Å; C79-I81 VanDerWaalsContact C-N 3.3Å; C79-I81 PolarHBondContact O-N 3.27Å; C79-Y82 WeakPolarHBondContact O-CB 3.26Å; C79-Y82 PolarHBondContact O-N 2.94Å; C79-Y82 VanDerWaalsContact O-N 3.1Å; C79-F83 PolarHBondContact O-N 3.34Å; C79-F83 VanDerWaalsContact SG-CE2 3.5Å; C79-F83 WeakPolarHBondContact SG-CZ 3.4Å |
| 80 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 174.8 | -69 | -179.9 | 0 | 0 | 0 | 112.1 | L76 L77 Y82 F83 Y84 F91 Y149 L152 | L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 2.93Å; L77-L80 HydrophobicContact CD2-CD1 4.33Å; L77-L80 PolarHBondContact O-N 3Å; L80-Y82 VanDerWaalsContact C-N 3.27Å; L80-Y82 PolarHBondContact O-N 3.5Å; L80-F83 PolarHBondContact O-N 3.28Å; L80-Y84 HydrophobicContact CD2-CD2 4.04Å; L80-Y84 HydrophobicContact CD2-CE2 3.91Å; L80-Y84 WeakPolarHBondContact O-CA 3.27Å; L80-Y84 WeakPolarHBondContact O-CB 3.36Å; L80-Y84 PolarHBondContact O-N 2.84Å; L80-F91 HydrophobicContact CB-CD1 4.43Å; L80-F91 HydrophobicContact CB-CD2 4.18Å; L80-F91 HydrophobicContact CB-CE1 4.17Å; L80-F91 HydrophobicContact CB-CE2 3.92Å; L80-F91 HydrophobicContact CB-CG 4.43Å; L80-F91 HydrophobicContact CB-CZ 3.91Å; L80-F91 HydrophobicContact CD1-CE1 4.03Å; L80-F91 HydrophobicContact CD1-CZ 4.36Å; L80-Y149 HydrophobicContact CD1-CD1 3.73Å; L80-Y149 HydrophobicContact CD1-CG 4.25Å; L80-L152 HydrophobicContact CD1-CB 4.15Å; L80-L152 HydrophobicContact CD1-CD1 4.32Å; L80-L152 HydrophobicContact CD2-CB 3.83Å |
| 81 | I | 98.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 54 Ų | 54 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -41.9 | 171.3 | -73.4 | 169 | 0 | 0 | 0 | 111.1 | L77 A78 C79 Y84 P85 I88 F91 Q92 M95 | L77-I81 WeakPolarHBondContact O-CG1 3.48Å; L77-I81 PolarHBondContact O-N 3.33Å; A78-I81 PolarHBondContact O-N 3.14Å; C79-I81 VanDerWaalsContact C-N 3.3Å; C79-I81 PolarHBondContact O-N 3.27Å; I81-Y84 CarbonylContact O-C 3.5Å; I81-P85 WeakPolarHBondContact O-CA 3.38Å; I81-I88 HydrophobicContact CD1-CG1 4.32Å; I81-I88 HydrophobicContact CG1-CG1 4.18Å; I81-I88 HydrophobicContact CG2-CB 4.35Å; I81-I88 HydrophobicContact CG2-CD1 3.67Å; I81-I88 HydrophobicContact CG2-CG1 3.67Å; I81-F91 HydrophobicContact CD1-CB 3.91Å; I81-F91 HydrophobicContact CG1-CB 3.54Å; I81-F91 HydrophobicContact CG1-CD2 3.79Å; I81-F91 HydrophobicContact CG1-CG 4.11Å; I81-Q92 HydrophobicContact CD1-CG 3.88Å; I81-M95 HydrophobicContact CD1-CE 3.31Å |
| 82 | Y | 97.2 | Very high | 97.9 | Very high | 144 Ų | 144 | 55.7 Ų | 55.7 | 57% | 0.565 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.7 | -41.2 | 177.3 | 175.5 | -105 | 0 | 0 | 0 | 112.2 | A78 C79 L80 | A78-Y82 PolarHBondContact O-N 3.29Å; C79-Y82 WeakPolarHBondContact O-CB 3.26Å; C79-Y82 PolarHBondContact O-N 2.94Å; C79-Y82 VanDerWaalsContact O-N 3.1Å; L80-Y82 VanDerWaalsContact C-N 3.27Å; L80-Y82 PolarHBondContact O-N 3.5Å |
| 83 | F | 97.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.5 | -31.3 | 179.7 | -67.9 | -19.2 | 0 | 0 | 0 | 114.3 | C79 L80 P85 Y153 H156 F157 | C79-F83 PolarHBondContact O-N 3.34Å; C79-F83 VanDerWaalsContact SG-CE2 3.5Å; C79-F83 WeakPolarHBondContact SG-CZ 3.4Å; L80-F83 PolarHBondContact O-N 3.28Å; F83-P85 VanDerWaalsContact C-CD 3.48Å; F83-P85 WeakPolarHBondContact O-CD 3.47Å; F83-Y153 HydrophobicContact CD2-CD2 4.31Å; F83-Y153 AromaticContact CE2-CD2 3.65Å; F83-Y153 HydrophobicContact CE2-CD2 3.65Å; F83-Y153 AromaticContact CE2-CE2 3.63Å; F83-Y153 HydrophobicContact CE2-CE2 3.63Å; F83-Y153 HydrophobicContact CZ-CE2 4.23Å; F83-H156 HydrophobicContact CB-CB 4.48Å; F83-H156 AromaticContact CD1-CD2 3.67Å; F83-H156 AromaticContact CD1-CE1 3.56Å; F83-H156 AromaticContact CD1-CG 4Å; F83-H156 AromaticContact CD1-ND1 3.93Å; F83-H156 AromaticContact CD1-NE2 3.38Å; F83-H156 WeakPolarHBondContact CD1-NE2 3.44Å; F83-H156 HydrophobicContact CD2-CB 3.69Å; F83-H156 AromaticContact CD2-CD2 3.58Å; F83-H156 AromaticContact CD2-CG 3.44Å; F83-H156 VanDerWaalsContact CD2-CG 3.44Å; F83-H156 AromaticContact CD2-ND1 3.96Å; F83-H156 AromaticContact CE1-CD2 3.63Å; F83-H156 AromaticContact CE1-NE2 3.47Å; F83-H156 WeakPolarHBondContact CE1-NE2 3.3Å; F83-H156 HydrophobicContact CE2-CB 4.1Å; F83-H156 AromaticContact CE2-CD2 3.51Å; F83-H156 AromaticContact CE2-CG 3.83Å; F83-H156 HydrophobicContact CG-CB 4.21Å; F83-H156 AromaticContact CG-CD2 3.66Å; F83-H156 AromaticContact CG-CE1 3.7Å; F83-H156 AromaticContact CG-CG 3.54Å; F83-H156 AromaticContact CG-ND1 3.57Å; F83-H156 AromaticContact CG-NE2 3.77Å; F83-H156 AromaticContact CZ-CD2 3.55Å; F83-H156 AromaticContact CZ-NE2 3.91Å; F83-F157 AromaticContact CE2-CE2 3.73Å; F83-F157 HydrophobicContact CE2-CE2 3.73Å; F83-F157 HydrophobicContact CE2-CZ 4.17Å; F83-F157 AromaticContact CZ-CE2 3.84Å; F83-F157 HydrophobicContact CZ-CE2 3.84Å; F83-F157 AromaticContact CZ-CZ 3.77Å; F83-F157 HydrophobicContact CZ-CZ 3.77Å |
| 84 | Y | 97.5 | Very high | 97.9 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | trans | -130.7 | 63.6 | -171.7 | -60 | -68.5 | 0 | 0 | 0 | 111 | L80 I81 S86 Y87 L152 H156 | L80-Y84 HydrophobicContact CD2-CD2 4.04Å; L80-Y84 HydrophobicContact CD2-CE2 3.91Å; L80-Y84 WeakPolarHBondContact O-CA 3.27Å; L80-Y84 WeakPolarHBondContact O-CB 3.36Å; L80-Y84 PolarHBondContact O-N 2.84Å; I81-Y84 CarbonylContact O-C 3.5Å; Y84-S86 PolarHBondContact O-N 3.22Å; Y84-S86 VanDerWaalsContact O-N 3.1Å; Y84-Y87 PolarHBondContact O-N 3.23Å; Y84-L152 HydrophobicContact CE2-CB 4.43Å; Y84-L152 PolarHBondContact OH-O 3.47Å; Y84-L152 VanDerWaalsContact OH-O 3.05Å; Y84-H156 HydrophobicContact CE2-CB 4.41Å; Y84-H156 WeakPolarHBondContact OH-CA 3.23Å; Y84-H156 PolarHBondContact OH-N 3.07Å; Y84-H156 VanDerWaalsContact OH-N 3.12Å | ||
| 85 | P | 97.7 | Very high | 97.9 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -59.3 | -28.4 | -173.3 | 22.9 | -34.3 | 0 | 0 | 0 | 113.5 | I81 F83 Y87 I88 | I81-P85 WeakPolarHBondContact O-CA 3.38Å; F83-P85 VanDerWaalsContact C-CD 3.48Å; F83-P85 WeakPolarHBondContact O-CD 3.47Å; P85-Y87 PolarHBondContact O-N 3.25Å; P85-I88 WeakPolarHBondContact O-CB 3.34Å; P85-I88 VanDerWaalsContact O-CG2 3.31Å; P85-I88 WeakPolarHBondContact O-CG2 3.39Å; P85-I88 PolarHBondContact O-N 3.26Å |
| 86 | S | 98.1 | Very high | 97.9 | Very high | 112 Ų | 112 | 62 Ų | 62 | 78% | 0.783 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -62.1 | -20.7 | 175.8 | -52 | 0 | 0 | 0 | 0 | 114 | Y84 | Y84-S86 PolarHBondContact O-N 3.22Å; Y84-S86 VanDerWaalsContact O-N 3.1Å |
| 87 | Y | 97.3 | Very high | 97.9 | Very high | 134 Ų | 134 | 62 Ų | 62 | 53% | 0.525 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -108.5 | 13.9 | -178.7 | -59.1 | -85.8 | 0 | 0 | 0 | 112.7 | Y84 P85 L89 L90 F91 | Y84-Y87 PolarHBondContact O-N 3.23Å; P85-Y87 PolarHBondContact O-N 3.25Å; Y87-L89 PolarHBondContact O-N 3.26Å; Y87-L89 VanDerWaalsContact O-N 3.14Å; Y87-L90 HydrophobicContact CD1-CD1 4.02Å; Y87-L90 PolarHBondContact O-N 3.15Å; Y87-F91 WeakPolarHBondContact O-CD2 3.37Å; Y87-F91 PolarHBondContact O-N 3.38Å |
| 88 | I | 98 | Very high | 97.8 | Very high | 62 Ų | 62 | 62.7 Ų | 62.7 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -50 | -43 | -175.8 | -173.3 | 166.6 | 0 | 0 | 0 | 113.3 | I81 P85 L90 F91 Q92 | I81-I88 HydrophobicContact CD1-CG1 4.32Å; I81-I88 HydrophobicContact CG1-CG1 4.18Å; I81-I88 HydrophobicContact CG2-CB 4.35Å; I81-I88 HydrophobicContact CG2-CD1 3.67Å; I81-I88 HydrophobicContact CG2-CG1 3.67Å; P85-I88 WeakPolarHBondContact O-CB 3.34Å; P85-I88 VanDerWaalsContact O-CG2 3.31Å; P85-I88 WeakPolarHBondContact O-CG2 3.39Å; P85-I88 PolarHBondContact O-N 3.26Å; I88-L90 VanDerWaalsContact C-N 3.31Å; I88-L90 PolarHBondContact O-N 2.92Å; I88-F91 PolarHBondContact O-N 2.67Å; I88-Q92 HydrophobicContact CG1-CG 4.09Å; I88-Q92 WeakPolarHBondContact O-CB 3.46Å; I88-Q92 WeakPolarHBondContact O-CG 3.37Å; I88-Q92 PolarHBondContact O-N 2.94Å |
| 89 | L | 98.1 | Very high | 97.7 | Very high | 135 Ų | 135 | 63.4 Ų | 63.4 | 71% | 0.707 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.5 | -38.4 | -179.3 | -70.5 | 177.1 | 0 | 0 | 0 | 112.3 | Y87 F93 | Y87-L89 PolarHBondContact O-N 3.26Å; Y87-L89 VanDerWaalsContact O-N 3.14Å; L89-F93 VanDerWaalsContact O-CB 3.25Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.06Å |
| 90 | L | 97.1 | Very high | 97.7 | Very high | 114 Ų | 114 | 64.7 Ų | 64.7 | 60% | 0.597 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.2 | -44.7 | 179.9 | -64.4 | 179.3 | 0 | 0 | 0 | 111.1 | Y87 I88 F93 S94 | Y87-L90 HydrophobicContact CD1-CD1 4.02Å; Y87-L90 PolarHBondContact O-N 3.15Å; I88-L90 VanDerWaalsContact C-N 3.31Å; I88-L90 PolarHBondContact O-N 2.92Å; L90-F93 PolarHBondContact O-N 2.74Å; L90-S94 PolarHBondContact O-N 3.27Å |
| 91 | F | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 178.1 | -59.3 | -47.2 | 0 | 0 | 0 | 111.8 | L77 L80 I81 Y87 I88 S94 M95 Y149 L152 | L77-F91 HydrophobicContact CD2-CB 4.11Å; L77-F91 HydrophobicContact CD2-CD1 3.6Å; L77-F91 HydrophobicContact CD2-CE1 4.44Å; L77-F91 HydrophobicContact CD2-CG 4.18Å; L80-F91 HydrophobicContact CB-CD1 4.43Å; L80-F91 HydrophobicContact CB-CD2 4.18Å; L80-F91 HydrophobicContact CB-CE1 4.17Å; L80-F91 HydrophobicContact CB-CE2 3.92Å; L80-F91 HydrophobicContact CB-CG 4.43Å; L80-F91 HydrophobicContact CB-CZ 3.91Å; L80-F91 HydrophobicContact CD1-CE1 4.03Å; L80-F91 HydrophobicContact CD1-CZ 4.36Å; I81-F91 HydrophobicContact CD1-CB 3.91Å; I81-F91 HydrophobicContact CG1-CB 3.54Å; I81-F91 HydrophobicContact CG1-CD2 3.79Å; I81-F91 HydrophobicContact CG1-CG 4.11Å; Y87-F91 WeakPolarHBondContact O-CD2 3.37Å; Y87-F91 PolarHBondContact O-N 3.38Å; I88-F91 PolarHBondContact O-N 2.67Å; F91-S94 WeakPolarHBondContact O-CB 3.47Å; F91-S94 PolarHBondContact O-N 3.11Å; F91-M95 WeakPolarHBondContact O-CG 3.17Å; F91-M95 PolarHBondContact O-N 3.24Å; F91-Y149 HydrophobicContact CD1-CE1 4.09Å; F91-Y149 HydrophobicContact CE1-CD1 4.32Å; F91-Y149 HydrophobicContact CE1-CE1 4.11Å; F91-L152 HydrophobicContact CE1-CD1 4.12Å; F91-L152 HydrophobicContact CZ-CD1 4.32Å |
| 92 | Q | 98.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 174.4 | -76 | 180 | -26.2 | 0 | 0 | 111.8 | I81 I88 S94 M95 I96 | I81-Q92 HydrophobicContact CD1-CG 3.88Å; I88-Q92 HydrophobicContact CG1-CG 4.09Å; I88-Q92 WeakPolarHBondContact O-CB 3.46Å; I88-Q92 WeakPolarHBondContact O-CG 3.37Å; I88-Q92 PolarHBondContact O-N 2.94Å; Q92-S94 VanDerWaalsContact C-N 3.32Å; Q92-S94 PolarHBondContact O-N 2.76Å; Q92-M95 HydrophobicContact CB-CE 4.47Å; Q92-M95 HydrophobicContact CG-CE 4.11Å; Q92-M95 PolarHBondContact O-N 2.81Å; Q92-I96 WeakPolarHBondContact O-CD1 3.26Å; Q92-I96 VanDerWaalsContact O-CG1 3.25Å; Q92-I96 WeakPolarHBondContact O-CG1 3.42Å; Q92-I96 PolarHBondContact O-N 3.27Å |
| 93 | F | 97.8 | Very high | 97.1 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 45% | 0.452 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.5 | -170.8 | -109.1 | 0 | 0 | 0 | 111.6 | L89 L90 M95 I96 V97 M184 L188 | L89-F93 VanDerWaalsContact O-CB 3.25Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.06Å; L90-F93 PolarHBondContact O-N 2.74Å; F93-M95 PolarHBondContact O-N 2.93Å; F93-I96 PolarHBondContact O-N 3.42Å; F93-V97 HydrophobicContact CD1-CG2 4.11Å; F93-V97 HydrophobicContact CD2-CG2 4.15Å; F93-V97 HydrophobicContact CE1-CG2 3.76Å; F93-V97 HydrophobicContact CE2-CG2 3.8Å; F93-V97 HydrophobicContact CG-CG2 4.3Å; F93-V97 HydrophobicContact CZ-CG2 3.6Å; F93-V97 WeakPolarHBondContact O-CB 3.5Å; F93-V97 WeakPolarHBondContact O-CG2 3.12Å; F93-V97 PolarHBondContact O-N 3.44Å; F93-M184 HydrophobicContact CD1-CE 4.39Å; F93-M184 HydrophobicContact CD1-SD 4Å; F93-M184 HydrophobicContact CE1-CG 4.33Å; F93-M184 HydrophobicContact CE1-SD 4.17Å; F93-L188 HydrophobicContact CE1-CD1 4.39Å; F93-L188 HydrophobicContact CZ-CD1 4.38Å; F93-L188 HydrophobicContact CZ-CD2 4.1Å |
| 94 | S | 97.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 65.2 Ų | 65.2 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 173.9 | -167.8 | 0 | 0 | 0 | 0 | 112.8 | L90 F91 Q92 D98 Y149 M184 | L90-S94 PolarHBondContact O-N 3.27Å; F91-S94 WeakPolarHBondContact O-CB 3.47Å; F91-S94 PolarHBondContact O-N 3.11Å; Q92-S94 VanDerWaalsContact C-N 3.32Å; Q92-S94 PolarHBondContact O-N 2.76Å; S94-D98 WeakPolarHBondContact O-CB 3.4Å; S94-D98 PolarHBondContact O-N 3.23Å; S94-Y149 WeakPolarHBondContact CB-OH 3.21Å; S94-Y149 PolarHBondContact OG-OH 3.47Å; S94-M184 WeakPolarHBondContact OG-CE 3.28Å |
| 95 | M | 97.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 16% | 0.163 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 178.3 | -71.6 | -175.5 | -67.9 | 0 | 0 | 111.4 | M74 L77 I81 F91 Q92 F93 I99 | M74-M95 HydrophobicContact CG-CG 4.43Å; M74-M95 HydrophobicContact CG-SD 3.84Å; L77-M95 HydrophobicContact CB-CG 3.68Å; L77-M95 HydrophobicContact CB-SD 3.69Å; L77-M95 HydrophobicContact CD1-CB 4.47Å; L77-M95 HydrophobicContact CD1-CG 3.38Å; L77-M95 HydrophobicContact CG-CG 4.14Å; I81-M95 HydrophobicContact CD1-CE 3.31Å; F91-M95 WeakPolarHBondContact O-CG 3.17Å; F91-M95 PolarHBondContact O-N 3.24Å; Q92-M95 HydrophobicContact CB-CE 4.47Å; Q92-M95 HydrophobicContact CG-CE 4.11Å; Q92-M95 PolarHBondContact O-N 2.81Å; F93-M95 PolarHBondContact O-N 2.93Å; M95-I99 WeakPolarHBondContact O-CB 3.41Å; M95-I99 VanDerWaalsContact O-CG1 3.3Å; M95-I99 WeakPolarHBondContact O-CG1 3.38Å; M95-I99 PolarHBondContact O-N 3.22Å |
| 96 | I | 98.1 | Very high | 96 | Very high | 111 Ų | 111 | 62.6 Ų | 62.6 | 57% | 0.569 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.8 | -50.4 | -177.4 | -68.9 | 164.5 | 0 | 0 | 0 | 110.8 | Q92 F93 A100 | Q92-I96 WeakPolarHBondContact O-CD1 3.26Å; Q92-I96 VanDerWaalsContact O-CG1 3.25Å; Q92-I96 WeakPolarHBondContact O-CG1 3.42Å; Q92-I96 PolarHBondContact O-N 3.27Å; F93-I96 PolarHBondContact O-N 3.42Å; I96-A100 WeakPolarHBondContact O-CB 3.38Å; I96-A100 PolarHBondContact O-N 3.25Å |
| 97 | V | 97.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | -178.1 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | F93 S101 M184 L188 | F93-V97 HydrophobicContact CD1-CG2 4.11Å; F93-V97 HydrophobicContact CD2-CG2 4.15Å; F93-V97 HydrophobicContact CE1-CG2 3.76Å; F93-V97 HydrophobicContact CE2-CG2 3.8Å; F93-V97 HydrophobicContact CG-CG2 4.3Å; F93-V97 HydrophobicContact CZ-CG2 3.6Å; F93-V97 WeakPolarHBondContact O-CB 3.5Å; F93-V97 WeakPolarHBondContact O-CG2 3.12Å; F93-V97 PolarHBondContact O-N 3.44Å; V97-S101 WeakPolarHBondContact O-CB 3.45Å; V97-S101 PolarHBondContact O-N 2.83Å; V97-S101 PolarHBondContact O-OG 3.06Å; V97-M184 HydrophobicContact CB-SD 3.94Å; V97-M184 HydrophobicContact CG1-SD 4.05Å; V97-M184 HydrophobicContact CG2-SD 4.25Å; V97-L188 HydrophobicContact CB-CD2 4.42Å; V97-L188 HydrophobicContact CG1-CD2 3.81Å; V97-L188 HydrophobicContact CG1-CG 3.9Å; V97-L188 HydrophobicContact CG2-CD2 3.65Å; V97-L188 HydrophobicContact CG2-CG 4.37Å |
| 98 | D | 96.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -46.2 | -178 | -169.3 | 72.9 | 0 | 0 | 0 | 111.7 | R70 S94 S101 H102 | R70-D98 WeakPolarHBondContact CD-OD2 3.48Å; R70-D98 IonicContact CZ-OD2 2.76Å; R70-D98 IonicContact NE-OD2 2.67Å; R70-D98 VanDerWaalsContact NH1-CG 3.29Å; R70-D98 IonicContact NH1-OD1 3.84Å; R70-D98 PolarHBondContact NH1-OD1 3.44Å; R70-D98 IonicContact NH1-OD2 2.81Å; R70-D98 PolarHBondContact NH1-OD2 3.23Å; S94-D98 WeakPolarHBondContact O-CB 3.4Å; S94-D98 PolarHBondContact O-N 3.23Å; D98-S101 PolarHBondContact O-OG 3.46Å; D98-H102 PolarHBondContact O-N 2.85Å; D98-H102 PolarHBondContact O-ND1 2.88Å; D98-H102 IonicContact OD1-CE1 3.11Å; D98-H102 PolarHBondContact OD1-CE1 2.8Å; D98-H102 VanDerWaalsContact OD1-CE1 3.24Å; D98-H102 IonicContact OD1-ND1 3.62Å |
| 99 | I | 96.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 35% | 0.349 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.4 | -52.2 | 176.9 | -66.9 | 170.6 | 0 | 0 | 0 | 111 | M74 M95 S101 H102 W103 | M74-I99 HydrophobicContact SD-CD1 3.77Å; M95-I99 WeakPolarHBondContact O-CB 3.41Å; M95-I99 VanDerWaalsContact O-CG1 3.3Å; M95-I99 WeakPolarHBondContact O-CG1 3.38Å; M95-I99 PolarHBondContact O-N 3.22Å; I99-S101 VanDerWaalsContact C-N 3.34Å; I99-S101 PolarHBondContact O-N 3.42Å; I99-H102 PolarHBondContact O-N 2.97Å; I99-W103 WeakPolarHBondContact O-CB 3.4Å; I99-W103 PolarHBondContact O-N 3.06Å |
| 100 | A | 97.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I96 L104 L191 | I96-A100 WeakPolarHBondContact O-CB 3.38Å; I96-A100 PolarHBondContact O-N 3.25Å; A100-L104 WeakPolarHBondContact O-CB 3.44Å; A100-L104 PolarHBondContact O-N 3.34Å; A100-L191 HydrophobicContact CB-CD1 4.08Å; A100-L191 HydrophobicContact CB-CD2 4.39Å |
| 101 | S | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | -179 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | V97 D98 I99 H105 S187 Q190 | V97-S101 WeakPolarHBondContact O-CB 3.45Å; V97-S101 PolarHBondContact O-N 2.83Å; V97-S101 PolarHBondContact O-OG 3.06Å; D98-S101 PolarHBondContact O-OG 3.46Å; I99-S101 VanDerWaalsContact C-N 3.34Å; I99-S101 PolarHBondContact O-N 3.42Å; S101-H105 WeakPolarHBondContact O-CB 3.32Å; S101-H105 PolarHBondContact O-N 2.95Å; S101-H105 VanDerWaalsContact O-N 3.16Å; S101-S187 WeakPolarHBondContact CB-O 3.24Å; S101-Q190 PolarHBondContact O-NE2 2.65Å; S101-Q190 VanDerWaalsContact O-NE2 3.15Å |
| 102 | H | 93.6 | Very high | 91.1 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.7 | -39.7 | 179.7 | -69.6 | 81.2 | 0 | 0 | 0 | 111.9 | M66 R70 D98 I99 H105 L106 Q190 | M66-H102 HydrophobicContact SD-CB 4.1Å; R70-H102 PolarHBondContact NH1-CE1 2.98Å; R70-H102 PolarHBondContact NH1-NE2 3Å; D98-H102 PolarHBondContact O-N 2.85Å; D98-H102 PolarHBondContact O-ND1 2.88Å; D98-H102 IonicContact OD1-CE1 3.11Å; D98-H102 PolarHBondContact OD1-CE1 2.8Å; D98-H102 VanDerWaalsContact OD1-CE1 3.24Å; D98-H102 IonicContact OD1-ND1 3.62Å; I99-H102 PolarHBondContact O-N 2.97Å; H102-H105 PolarHBondContact O-N 3.46Å; H102-L106 VanDerWaalsContact O-CB 3.3Å; H102-L106 WeakPolarHBondContact O-CB 3.32Å; H102-L106 PolarHBondContact O-N 3.26Å; H102-Q190 PolarHBondContact CD2-NE2 2.99Å |
| 103 | W | 93.4 | Very high | 89.3 | Confident | 146 Ų | 146 | 46.7 Ų | 46.7 | 55% | 0.553 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.8 | -55 | 177.3 | -171.4 | -92 | 0 | 0 | 0 | 111 | I99 H105 L106 H107 | I99-W103 WeakPolarHBondContact O-CB 3.4Å; I99-W103 PolarHBondContact O-N 3.06Å; W103-H105 VanDerWaalsContact C-N 3.34Å; W103-H105 PolarHBondContact O-N 2.95Å; W103-L106 PolarHBondContact O-N 3.04Å; W103-H107 AromaticContact CD1-CD2 3.4Å; W103-H107 VanDerWaalsContact CD1-CD2 3.4Å; W103-H107 AromaticContact CD1-NE2 3.8Å; W103-H107 AromaticContact CD2-NE2 3.91Å; W103-H107 AromaticContact CE2-CD2 3.61Å; W103-H107 AromaticContact CE2-NE2 3.14Å; W103-H107 AromaticContact CG-CD2 3.91Å; W103-H107 AromaticContact CZ2-NE2 3.37Å; W103-H107 WeakPolarHBondContact CZ2-NE2 3.38Å; W103-H107 AromaticContact NE1-CD2 3.18Å; W103-H107 PolarHBondContact NE1-CD2 2.94Å; W103-H107 AromaticContact NE1-NE2 3.07Å; W103-H107 PolarHBondContact NE1-NE2 3.37Å; W103-H107 PolarHBondContact O-CD2 2.91Å; W103-H107 PolarHBondContact O-N 2.92Å |
| 104 | L | 91.7 | Very high | 87.2 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | -178.4 | -161.3 | 65.4 | 0 | 0 | 0 | 111.9 | A100 H107 S108 L191 A194 C195 M198 | A100-L104 WeakPolarHBondContact O-CB 3.44Å; A100-L104 PolarHBondContact O-N 3.34Å; L104-H107 PolarHBondContact O-N 3.45Å; L104-S108 WeakPolarHBondContact O-CB 3.41Å; L104-S108 PolarHBondContact O-N 3.39Å; L104-S108 PolarHBondContact O-OG 2.9Å; L104-L191 HydrophobicContact CD2-CD1 4.1Å; L104-A194 HydrophobicContact CB-CB 3.82Å; L104-A194 HydrophobicContact CD2-CB 3.94Å; L104-A194 HydrophobicContact CG-CB 3.81Å; L104-C195 HydrophobicContact CD2-CB 4.21Å; L104-C195 WeakPolarHBondContact CD2-SG 3.19Å; L104-M198 HydrophobicContact CD1-CG 3.67Å; L104-M198 HydrophobicContact CG-CG 3.98Å |
| 105 | H | 89.2 | Confident | 85 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 177 | -178.6 | 67.5 | 0 | 0 | 0 | 112.5 | S101 H102 W103 S108 S109 Q190 A194 | S101-H105 WeakPolarHBondContact O-CB 3.32Å; S101-H105 PolarHBondContact O-N 2.95Å; S101-H105 VanDerWaalsContact O-N 3.16Å; H102-H105 PolarHBondContact O-N 3.46Å; W103-H105 VanDerWaalsContact C-N 3.34Å; W103-H105 PolarHBondContact O-N 2.95Å; H105-S108 PolarHBondContact O-OG 3.33Å; H105-S109 VanDerWaalsContact O-CB 3.31Å; H105-S109 WeakPolarHBondContact O-CB 3.48Å; H105-S109 PolarHBondContact O-N 3.44Å; H105-S109 PolarHBondContact O-OG 3.15Å; H105-Q190 HydrophobicContact CB-CG 4.11Å; H105-A194 HydrophobicContact CB-CB 4.11Å |
| 106 | L | 88.5 | Confident | 82.6 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 175.8 | -179.4 | 66.4 | 0 | 0 | 0 | 110.5 | M63 M66 H102 W103 S108 S109 V110 | M63-L106 HydrophobicContact CE-CD2 3.59Å; M63-L106 HydrophobicContact CG-CD2 4.23Å; M66-L106 HydrophobicContact CE-CD2 3.46Å; M66-L106 VanDerWaalsContact CE-CD2 3.46Å; M66-L106 HydrophobicContact SD-CB 3.99Å; M66-L106 HydrophobicContact SD-CD2 3.69Å; M66-L106 HydrophobicContact SD-CG 4.31Å; H102-L106 VanDerWaalsContact O-CB 3.3Å; H102-L106 WeakPolarHBondContact O-CB 3.32Å; H102-L106 PolarHBondContact O-N 3.26Å; W103-L106 PolarHBondContact O-N 3.04Å; L106-S108 PolarHBondContact O-N 2.94Å; L106-S109 PolarHBondContact O-N 3.45Å; L106-V110 HydrophobicContact CD1-CG2 4.28Å; L106-V110 HydrophobicContact CG-CG2 4.46Å; L106-V110 WeakPolarHBondContact O-CG2 3.3Å; L106-V110 PolarHBondContact O-N 2.82Å |
| 107 | H | 87.9 | Confident | 80.2 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 177.6 | -85.5 | -73.1 | 0 | 0 | 0 | 112.1 | W103 L104 S109 V110 L111 | W103-H107 AromaticContact CD1-CD2 3.4Å; W103-H107 VanDerWaalsContact CD1-CD2 3.4Å; W103-H107 AromaticContact CD1-NE2 3.8Å; W103-H107 AromaticContact CD2-NE2 3.91Å; W103-H107 AromaticContact CE2-CD2 3.61Å; W103-H107 AromaticContact CE2-NE2 3.14Å; W103-H107 AromaticContact CG-CD2 3.91Å; W103-H107 AromaticContact CZ2-NE2 3.37Å; W103-H107 WeakPolarHBondContact CZ2-NE2 3.38Å; W103-H107 AromaticContact NE1-CD2 3.18Å; W103-H107 PolarHBondContact NE1-CD2 2.94Å; W103-H107 AromaticContact NE1-NE2 3.07Å; W103-H107 PolarHBondContact NE1-NE2 3.37Å; W103-H107 PolarHBondContact O-CD2 2.91Å; W103-H107 PolarHBondContact O-N 2.92Å; L104-H107 PolarHBondContact O-N 3.45Å; H107-S109 VanDerWaalsContact C-N 3.32Å; H107-S109 PolarHBondContact O-N 3.11Å; H107-V110 PolarHBondContact O-N 3.3Å; H107-L111 WeakPolarHBondContact O-CG 3.36Å; H107-L111 PolarHBondContact O-N 2.85Å |
| 108 | S | 83.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | L104 H105 L106 V110 L111 S112 | L104-S108 WeakPolarHBondContact O-CB 3.41Å; L104-S108 PolarHBondContact O-N 3.39Å; L104-S108 PolarHBondContact O-OG 2.9Å; H105-S108 PolarHBondContact O-OG 3.33Å; L106-S108 PolarHBondContact O-N 2.94Å; S108-V110 PolarHBondContact O-N 3.45Å; S108-L111 PolarHBondContact O-N 3.25Å; S108-S112 WeakPolarHBondContact O-CB 3.34Å; S108-S112 PolarHBondContact O-N 3.09Å; S108-S112 PolarHBondContact O-OG 3.46Å |
| 109 | S | 81 | Confident | 75.5 | Confident | 37 Ų | 37 | 66 Ų | 66 | 26% | 0.259 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | -179.1 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | H105 L106 H107 G113 | H105-S109 VanDerWaalsContact O-CB 3.31Å; H105-S109 WeakPolarHBondContact O-CB 3.48Å; H105-S109 PolarHBondContact O-N 3.44Å; H105-S109 PolarHBondContact O-OG 3.15Å; L106-S109 PolarHBondContact O-N 3.45Å; H107-S109 VanDerWaalsContact C-N 3.32Å; H107-S109 PolarHBondContact O-N 3.11Å; S109-G113 PolarHBondContact O-N 3.21Å |
| 110 | V | 83 | Confident | 73.4 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 42% | 0.424 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | L106 H107 S108 | L106-V110 HydrophobicContact CD1-CG2 4.28Å; L106-V110 HydrophobicContact CG-CG2 4.46Å; L106-V110 WeakPolarHBondContact O-CG2 3.3Å; L106-V110 PolarHBondContact O-N 2.82Å; H107-V110 PolarHBondContact O-N 3.3Å; S108-V110 PolarHBondContact O-N 3.45Å |
| 111 | L | 81.3 | Confident | 71.4 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 29% | 0.288 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.5 | -43.4 | 175.9 | -68.5 | 170.9 | 0 | 0 | 0 | 111.4 | H107 S108 G113 K114 M198 V201 | H107-L111 WeakPolarHBondContact O-CG 3.36Å; H107-L111 PolarHBondContact O-N 2.85Å; S108-L111 PolarHBondContact O-N 3.25Å; L111-G113 PolarHBondContact O-N 3.11Å; L111-K114 WeakPolarHBondContact O-CB 3.43Å; L111-K114 PolarHBondContact O-N 3.34Å; L111-M198 HydrophobicContact CD1-CE 3.68Å; L111-M198 HydrophobicContact CD1-SD 3.93Å; L111-V201 HydrophobicContact CB-CG2 4.46Å |
| 112 | S | 66.3 | Low | 69.5 | Low | 15 Ų | 15 | 71.2 Ų | 71.2 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.5 | -30.9 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | S108 K114 S115 F119 | S108-S112 WeakPolarHBondContact O-CB 3.34Å; S108-S112 PolarHBondContact O-N 3.09Å; S108-S112 PolarHBondContact O-OG 3.46Å; S112-K114 PolarHBondContact O-N 2.72Å; S112-K114 VanDerWaalsContact O-N 3.09Å; S112-S115 PolarHBondContact O-N 3.1Å; S112-F119 WeakPolarHBondContact OG-CD1 3.45Å; S112-F119 WeakPolarHBondContact OG-CE1 3.33Å; S112-F119 VanDerWaalsContact OG-CZ 3.27Å; S112-F119 WeakPolarHBondContact OG-CZ 3.5Å |
| 113 | G | 62.5 | Low | 67.6 | Low | 66 Ų | 66 | 73.1 Ų | 73.1 | 68% | 0.68 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S109 L111 | S109-G113 PolarHBondContact O-N 3.21Å; L111-G113 PolarHBondContact O-N 3.11Å |
| 114 | K | 52.9 | Low | 66 | Low | 175 Ų | 175 | 69.5 Ų | 69.5 | 76% | 0.761 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -26.6 | 171.9 | -61.4 | -176.4 | 178.2 | -179.7 | 0 | 113 | L111 S112 | L111-K114 WeakPolarHBondContact O-CB 3.43Å; L111-K114 PolarHBondContact O-N 3.34Å; S112-K114 PolarHBondContact O-N 2.72Å; S112-K114 VanDerWaalsContact O-N 3.09Å |
| 115 | S | 50 | Low | 65.1 | Low | 32 Ų | 32 | 70.1 Ų | 70.1 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | trans | -107.6 | 61.7 | -168.5 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | S112 H117 | S112-S115 PolarHBondContact O-N 3.1Å; S115-H117 VanDerWaalsContact C-N 3.33Å; S115-H117 PolarHBondContact O-N 3.29Å; S115-H117 VanDerWaalsContact O-N 3.09Å | ||
| 116 | S | 48.8 | Very low | 64.6 | Low | 88 Ų | 88 | 78.9 Ų | 78.9 | 62% | 0.615 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 0.8 | -158.1 | 78.2 | 0 | 0 | 0 | 0 | 118.3 | ||
| 117 | H | 45.9 | Very low | 64.4 | Low | 173 Ų | 173 | 84.3 Ų | 84.3 | 80% | 0.801 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -7.4 | -166.4 | -51 | -53.7 | 0 | 0 | 0 | 117.4 | S115 | S115-H117 VanDerWaalsContact C-N 3.33Å; S115-H117 PolarHBondContact O-N 3.29Å; S115-H117 VanDerWaalsContact O-N 3.09Å |
| 118 | K | 43.7 | Very low | 64.2 | Low | 167 Ų | 167 | 80.9 Ų | 80.9 | 73% | 0.726 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -138 | 16.2 | -178.6 | -81.6 | -169.7 | 179.1 | 178.4 | 0 | 115.5 | L204 | K118-L204 HydrophobicContact CB-CD1 4.39Å; K118-L204 HydrophobicContact CB-CD2 3.77Å; K118-L204 HydrophobicContact CD-CD2 4.02Å |
| 119 | F | 53.1 | Low | 64.3 | Low | 46 Ų | 46 | 85.4 Ų | 85.4 | 20% | 0.202 | 44% | 0.441 | C | S | . | . | trans | -83.3 | 136.9 | -172.4 | -145.3 | -105.4 | 0 | 0 | 0 | 113.4 | S112 D121 N197 S200 V201 L204 | S112-F119 WeakPolarHBondContact OG-CD1 3.45Å; S112-F119 WeakPolarHBondContact OG-CE1 3.33Å; S112-F119 VanDerWaalsContact OG-CZ 3.27Å; S112-F119 WeakPolarHBondContact OG-CZ 3.5Å; F119-D121 PolarHBondContact O-N 3.45Å; F119-N197 HydrophobicContact CE1-CB 3.8Å; F119-N197 HydrophobicContact CZ-CB 3.61Å; F119-N197 VanDerWaalsContact CZ-O 3.31Å; F119-N197 WeakPolarHBondContact CZ-O 3.25Å; F119-S200 WeakPolarHBondContact CE2-OG 3.42Å; F119-S200 VanDerWaalsContact CZ-OG 3.27Å; F119-S200 WeakPolarHBondContact CZ-OG 3.25Å; F119-V201 HydrophobicContact CE2-CG2 3.5Å; F119-V201 VanDerWaalsContact CE2-CG2 3.5Å; F119-V201 HydrophobicContact CZ-CG2 3.98Å; F119-L204 HydrophobicContact CD2-CD1 4.21Å | ||
| 120 | I | 51.6 | Low | 64.5 | Low | 84 Ų | 84 | 88.2 Ų | 88.2 | 43% | 0.431 | 45% | 0.453 | S | S | . | . | trans | -61.5 | 127.4 | 169 | -63.5 | 169 | 0 | 0 | 0 | 107 | L122 A124 | I120-L122 PolarHBondContact O-N 2.85Å; I120-A124 HydrophobicContact CG2-CB 3.83Å | ||
| 121 | D | 56.6 | Low | 64.8 | Low | 79 Ų | 79 | 85.1 Ų | 85.1 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | trans | -45.9 | 121.6 | 176.9 | -175.1 | -1 | 0 | 0 | 0 | 108.2 | F119 K123 A124 K129 | F119-D121 PolarHBondContact O-N 3.45Å; D121-K123 CarbonylContact O-C 3.33Å; D121-K123 PolarHBondContact O-N 3.19Å; D121-K123 WeakPolarHBondContact OD1-CB 3.25Å; D121-K123 PolarHBondContact OD1-N 3.2Å; D121-K123 VanDerWaalsContact OD1-N 3.15Å; D121-A124 WeakPolarHBondContact O-CB 3.42Å; D121-A124 PolarHBondContact O-N 3.36Å; D121-K129 IonicContact OD2-NZ 3.24Å; D121-K129 PolarHBondContact OD2-NZ 3.45Å | ||
| 122 | L | 54.3 | Low | 65 | Low | 51 Ų | 51 | 85.5 Ų | 85.5 | 27% | 0.267 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -19 | 175 | -76.7 | 149.7 | 0 | 0 | 0 | 111.5 | I120 N197 | I120-L122 PolarHBondContact O-N 2.85Å; L122-N197 WeakPolarHBondContact CD2-ND2 3.34Å |
| 123 | K | 54.2 | Low | 66 | Low | 59 Ų | 59 | 88.9 Ų | 88.9 | 26% | 0.257 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 22.8 | 179.3 | -59.6 | 178.1 | 170.6 | -170.7 | 0 | 114.2 | D121 N125 K129 T133 | D121-K123 CarbonylContact O-C 3.33Å; D121-K123 PolarHBondContact O-N 3.19Å; D121-K123 WeakPolarHBondContact OD1-CB 3.25Å; D121-K123 PolarHBondContact OD1-N 3.2Å; D121-K123 VanDerWaalsContact OD1-N 3.15Å; K123-N125 CarbonylContact O-C 3.47Å; K123-N125 PolarHBondContact O-N 2.9Å; K123-N125 VanDerWaalsContact O-O 3.09Å; K123-K129 HydrophobicContact CB-CB 3.69Å; K123-K129 HydrophobicContact CB-CD 3.84Å; K123-K129 HydrophobicContact CB-CG 3.88Å; K123-K129 HydrophobicContact CD-CB 4.34Å; K123-K129 HydrophobicContact CD-CD 4.44Å; K123-K129 HydrophobicContact CD-CG 3.99Å; K123-K129 HydrophobicContact CG-CB 4.38Å; K123-K129 HydrophobicContact CG-CG 4.48Å; K123-T133 PolarHBondContact NZ-OG1 3.29Å |
| 124 | A | 59.7 | Low | 67.3 | Low | 70 Ų | 70 | 88.7 Ų | 88.7 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | trans | -53.3 | -31.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I120 D121 R126 | I120-A124 HydrophobicContact CG2-CB 3.83Å; D121-A124 WeakPolarHBondContact O-CB 3.42Å; D121-A124 PolarHBondContact O-N 3.36Å; A124-R126 PolarHBondContact O-N 2.79Å | ||
| 125 | N | 73.3 | Confident | 68.9 | Low | 58 Ų | 58 | 89 Ų | 89 | 31% | 0.31 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -75.2 | 114.4 | 165.4 | -166 | -37.5 | 0 | 0 | 0 | 111.1 | K123 F127 L128 K129 I189 | K123-N125 CarbonylContact O-C 3.47Å; K123-N125 PolarHBondContact O-N 2.9Å; K123-N125 VanDerWaalsContact O-O 3.09Å; N125-F127 PolarHBondContact O-N 3.06Å; N125-F127 VanDerWaalsContact O-N 3.13Å; N125-F127 WeakPolarHBondContact OD1-CB 3.48Å; N125-F127 WeakPolarHBondContact OD1-CD2 3.31Å; N125-F127 PolarHBondContact OD1-N 3.36Å; N125-L128 HydrophobicContact CB-CB 4.07Å; N125-L128 PolarHBondContact O-N 3.38Å; N125-K129 PolarHBondContact O-N 2.98Å; N125-I189 HydrophobicContact CB-CG2 4.33Å; N125-I189 WeakPolarHBondContact ND2-CG2 3.41Å |
| 126 | R | 78.4 | Confident | 70.9 | Confident | 219 Ų | 219 | 93.1 Ų | 93.1 | 83% | 0.826 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -52.1 | -35.1 | 178.7 | -65.1 | -177.6 | -178.6 | -177.7 | 0.5 | 113.2 | A124 K129 L130 | A124-R126 PolarHBondContact O-N 2.79Å; R126-K129 WeakPolarHBondContact O-CB 3.43Å; R126-L130 PolarHBondContact O-N 3.36Å |
| 127 | F | 83.3 | Confident | 73 | Confident | 152 Ų | 152 | 91.3 Ų | 91.3 | 67% | 0.667 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -69.9 | -45.3 | 178 | -67.8 | -77.5 | 0 | 0 | 0 | 111.8 | N125 K129 L130 Y131 | N125-F127 PolarHBondContact O-N 3.06Å; N125-F127 VanDerWaalsContact O-N 3.13Å; N125-F127 WeakPolarHBondContact OD1-CB 3.48Å; N125-F127 WeakPolarHBondContact OD1-CD2 3.31Å; N125-F127 PolarHBondContact OD1-N 3.36Å; F127-K129 VanDerWaalsContact C-N 3.28Å; F127-K129 PolarHBondContact O-N 3.32Å; F127-L130 PolarHBondContact O-N 3.05Å; F127-Y131 WeakPolarHBondContact O-CB 3.38Å; F127-Y131 PolarHBondContact O-N 3.01Å |
| 128 | L | 84.7 | Confident | 75.2 | Confident | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.6 | -36 | 176.9 | -162.4 | 64.4 | 0 | 0 | 0 | 111.1 | N125 Y131 Y132 I186 I189 Q190 A193 | N125-L128 HydrophobicContact CB-CB 4.07Å; N125-L128 PolarHBondContact O-N 3.38Å; L128-Y131 HydrophobicContact CD1-CD1 4.29Å; L128-Y131 PolarHBondContact O-N 3.22Å; L128-Y132 HydrophobicContact CD1-CD2 3.87Å; L128-Y132 HydrophobicContact CD1-CE2 3.62Å; L128-Y132 HydrophobicContact CG-CD2 3.94Å; L128-Y132 HydrophobicContact CG-CE2 4.07Å; L128-Y132 PolarHBondContact O-N 3.24Å; L128-I186 HydrophobicContact CD1-CG2 4.38Å; L128-I189 HydrophobicContact CB-CG2 4.43Å; L128-Q190 HydrophobicContact CD1-CB 4.03Å; L128-A193 HydrophobicContact CD2-CB 3.84Å |
| 129 | K | 85.4 | Confident | 77.5 | Confident | 95 Ų | 95 | 84 Ų | 84 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.3 | -52.9 | 170.6 | -169.1 | 143.8 | -170.6 | 162.2 | 0 | 111.3 | D121 K123 N125 R126 F127 T133 | D121-K129 IonicContact OD2-NZ 3.24Å; D121-K129 PolarHBondContact OD2-NZ 3.45Å; K123-K129 HydrophobicContact CB-CB 3.69Å; K123-K129 HydrophobicContact CB-CD 3.84Å; K123-K129 HydrophobicContact CB-CG 3.88Å; K123-K129 HydrophobicContact CD-CB 4.34Å; K123-K129 HydrophobicContact CD-CD 4.44Å; K123-K129 HydrophobicContact CD-CG 3.99Å; K123-K129 HydrophobicContact CG-CB 4.38Å; K123-K129 HydrophobicContact CG-CG 4.48Å; N125-K129 PolarHBondContact O-N 2.98Å; R126-K129 WeakPolarHBondContact O-CB 3.43Å; F127-K129 VanDerWaalsContact C-N 3.28Å; F127-K129 PolarHBondContact O-N 3.32Å; K129-T133 WeakPolarHBondContact O-CB 3.35Å; K129-T133 PolarHBondContact O-N 2.94Å; K129-T133 PolarHBondContact O-OG1 3.11Å |
| 130 | L | 86.4 | Confident | 79.5 | Confident | 96 Ų | 96 | 86.3 Ų | 86.3 | 50% | 0.503 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | -179.7 | 178.2 | 60.9 | 0 | 0 | 0 | 111.3 | R126 F127 Y132 T133 N134 I137 | R126-L130 PolarHBondContact O-N 3.36Å; F127-L130 PolarHBondContact O-N 3.05Å; L130-Y132 PolarHBondContact O-N 3.48Å; L130-T133 PolarHBondContact O-N 3.26Å; L130-N134 HydrophobicContact CD1-CB 4.48Å; L130-N134 PolarHBondContact O-N 3.35Å; L130-I137 HydrophobicContact CD1-CD1 3.93Å; L130-I137 HydrophobicContact CD2-CD1 4.24Å; L130-I137 HydrophobicContact CG-CD1 3.87Å |
| 131 | Y | 87.9 | Confident | 81.5 | Confident | 6 Ų | 6 | 83.5 Ų | 83.5 | 2% | 0.024 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -53.5 | -51.5 | 179.3 | 176.9 | -114.1 | 0 | 0 | 0 | 112.5 | F127 L128 I137 L138 M141 K183 I186 | F127-Y131 WeakPolarHBondContact O-CB 3.38Å; F127-Y131 PolarHBondContact O-N 3.01Å; L128-Y131 HydrophobicContact CD1-CD1 4.29Å; L128-Y131 PolarHBondContact O-N 3.22Å; Y131-I137 HydrophobicContact CD2-CG2 4.19Å; Y131-L138 HydrophobicContact CD1-CD1 4.49Å; Y131-L138 HydrophobicContact CE1-CD1 3.78Å; Y131-L138 HydrophobicContact CE2-CD1 3.9Å; Y131-L138 VanDerWaalsContact CZ-CD1 3.42Å; Y131-L138 WeakPolarHBondContact OH-CD1 3.22Å; Y131-M141 HydrophobicContact CD2-CG 4.19Å; Y131-M141 HydrophobicContact CE2-CB 3.69Å; Y131-M141 HydrophobicContact CE2-CG 3.83Å; Y131-K183 WeakPolarHBondContact OH-CE 3.41Å; Y131-K183 PolarHBondContact OH-NZ 2.91Å; Y131-I186 HydrophobicContact CD1-CG2 3.69Å; Y131-I186 HydrophobicContact CD2-CD1 3.93Å; Y131-I186 HydrophobicContact CD2-CG2 4.18Å; Y131-I186 HydrophobicContact CE1-CG2 3.8Å; Y131-I186 HydrophobicContact CE2-CD1 4.24Å; Y131-I186 HydrophobicContact CE2-CG2 4.3Å; Y131-I186 HydrophobicContact CG-CD1 4.46Å; Y131-I186 HydrophobicContact CG-CG2 3.88Å |
| 132 | Y | 85.9 | Confident | 83.3 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 25% | 0.247 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -84.5 | -12.5 | -179.2 | -78.9 | -65.6 | 0 | 0 | 0 | 114.9 | L128 L130 L138 Q190 | L128-Y132 HydrophobicContact CD1-CD2 3.87Å; L128-Y132 HydrophobicContact CD1-CE2 3.62Å; L128-Y132 HydrophobicContact CG-CD2 3.94Å; L128-Y132 HydrophobicContact CG-CE2 4.07Å; L128-Y132 PolarHBondContact O-N 3.24Å; L130-Y132 PolarHBondContact O-N 3.48Å; Y132-L138 HydrophobicContact CD1-CD1 4.37Å; Y132-L138 HydrophobicContact CE1-CD1 4.3Å; Y132-Q190 VanDerWaalsContact OH-CD 3.29Å; Y132-Q190 PolarHBondContact OH-OE1 2.87Å |
| 133 | T | 87.3 | Confident | 85.2 | Confident | 86 Ų | 86 | 81.1 Ų | 81.1 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -90 | -35.5 | 179.4 | -56 | 0 | 0 | 0 | 0 | 111.3 | K123 K129 L130 | K123-T133 PolarHBondContact NZ-OG1 3.29Å; K129-T133 WeakPolarHBondContact O-CB 3.35Å; K129-T133 PolarHBondContact O-N 2.94Å; K129-T133 PolarHBondContact O-OG1 3.11Å; L130-T133 PolarHBondContact O-N 3.26Å |
| 134 | N | 89.7 | Confident | 87.3 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | trans | -94.7 | 106.8 | 178.3 | -172.5 | -25.8 | 0 | 0 | 0 | 110.9 | L130 I136 I137 L138 | L130-N134 HydrophobicContact CD1-CB 4.48Å; L130-N134 PolarHBondContact O-N 3.35Å; N134-I136 PolarHBondContact O-N 3.25Å; N134-I136 WeakPolarHBondContact OD1-CB 3.42Å; N134-I136 PolarHBondContact OD1-N 3.47Å; N134-I137 HydrophobicContact CB-CB 4.11Å; N134-I137 HydrophobicContact CB-CD1 3.86Å; N134-I137 HydrophobicContact CB-CG1 3.97Å; N134-I137 PolarHBondContact O-N 3.42Å; N134-I137 VanDerWaalsContact O-N 3.13Å; N134-I137 PolarHBondContact OD1-N 3.39Å; N134-L138 PolarHBondContact O-N 3.03Å | ||
| 135 | R | 87 | Confident | 89.1 | Confident | 181 Ų | 181 | 76 Ų | 76 | 68% | 0.683 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.3 | -31.5 | 180 | -63.6 | -175.9 | -176.6 | -149.2 | 1.2 | 113.4 | F139 | R135-F139 VanDerWaalsContact O-CB 3.28Å; R135-F139 WeakPolarHBondContact O-CB 3.41Å; R135-F139 PolarHBondContact O-N 2.82Å |
| 136 | I | 92.5 | Very high | 90.2 | Very high | 118 Ų | 118 | 74.9 Ų | 74.9 | 61% | 0.605 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.4 | -45.2 | 178.1 | -58.6 | 173.2 | 0 | 0 | 0 | 109.5 | N134 F139 L140 | N134-I136 PolarHBondContact O-N 3.25Å; N134-I136 WeakPolarHBondContact OD1-CB 3.42Å; N134-I136 PolarHBondContact OD1-N 3.47Å; I136-F139 PolarHBondContact O-N 3.35Å; I136-L140 HydrophobicContact CG2-CD1 3.81Å; I136-L140 HydrophobicContact CG2-CG 4.24Å; I136-L140 WeakPolarHBondContact O-CB 3.29Å; I136-L140 VanDerWaalsContact O-CG 3.22Å; I136-L140 WeakPolarHBondContact O-CG 3.4Å; I136-L140 PolarHBondContact O-N 2.91Å |
| 137 | I | 92.9 | Very high | 91.1 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 177.2 | -64.4 | 177.3 | 0 | 0 | 0 | 110.3 | L130 Y131 N134 F139 L140 M141 | L130-I137 HydrophobicContact CD1-CD1 3.93Å; L130-I137 HydrophobicContact CD2-CD1 4.24Å; L130-I137 HydrophobicContact CG-CD1 3.87Å; Y131-I137 HydrophobicContact CD2-CG2 4.19Å; N134-I137 HydrophobicContact CB-CB 4.11Å; N134-I137 HydrophobicContact CB-CD1 3.86Å; N134-I137 HydrophobicContact CB-CG1 3.97Å; N134-I137 PolarHBondContact O-N 3.42Å; N134-I137 VanDerWaalsContact O-N 3.13Å; N134-I137 PolarHBondContact OD1-N 3.39Å; I137-F139 PolarHBondContact O-N 3.2Å; I137-L140 PolarHBondContact O-N 2.82Å; I137-M141 HydrophobicContact CG2-CG 4.2Å; I137-M141 WeakPolarHBondContact O-CB 3.05Å; I137-M141 VanDerWaalsContact O-CG 3.23Å; I137-M141 WeakPolarHBondContact O-CG 3.28Å; I137-M141 PolarHBondContact O-N 2.7Å |
| 138 | L | 91.3 | Very high | 91.8 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.9 | -51.7 | 177.1 | 179.4 | 60.5 | 0 | 0 | 0 | 111.2 | Y131 Y132 N134 M141 C142 | Y131-L138 HydrophobicContact CD1-CD1 4.49Å; Y131-L138 HydrophobicContact CE1-CD1 3.78Å; Y131-L138 HydrophobicContact CE2-CD1 3.9Å; Y131-L138 VanDerWaalsContact CZ-CD1 3.42Å; Y131-L138 WeakPolarHBondContact OH-CD1 3.22Å; Y132-L138 HydrophobicContact CD1-CD1 4.37Å; Y132-L138 HydrophobicContact CE1-CD1 4.3Å; N134-L138 PolarHBondContact O-N 3.03Å; L138-M141 PolarHBondContact O-N 3.44Å; L138-C142 PolarHBondContact O-N 3.22Å; L138-C142 PolarHBondContact O-SG 3.34Å; L138-C142 VanDerWaalsContact O-SG 3.36Å |
| 139 | F | 92.1 | Very high | 92.4 | Very high | 133 Ų | 133 | 63 Ų | 63 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.6 | -48.1 | 179 | 179.1 | -98.1 | 0 | 0 | 0 | 112.2 | R135 I136 I137 M141 C142 A143 | R135-F139 VanDerWaalsContact O-CB 3.28Å; R135-F139 WeakPolarHBondContact O-CB 3.41Å; R135-F139 PolarHBondContact O-N 2.82Å; I136-F139 PolarHBondContact O-N 3.35Å; I137-F139 PolarHBondContact O-N 3.2Å; F139-M141 VanDerWaalsContact C-N 3.33Å; F139-M141 PolarHBondContact O-N 3.02Å; F139-C142 PolarHBondContact O-N 2.95Å; F139-A143 HydrophobicContact CE1-CB 4.19Å; F139-A143 HydrophobicContact CE2-CB 4.46Å; F139-A143 HydrophobicContact CZ-CB 4.17Å; F139-A143 WeakPolarHBondContact O-CB 3.22Å; F139-A143 PolarHBondContact O-N 2.91Å |
| 140 | L | 94.6 | Very high | 93 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | -179.7 | -74.9 | 173.8 | 0 | 0 | 0 | 112.7 | I136 I137 G144 | I136-L140 HydrophobicContact CG2-CD1 3.81Å; I136-L140 HydrophobicContact CG2-CG 4.24Å; I136-L140 WeakPolarHBondContact O-CB 3.29Å; I136-L140 VanDerWaalsContact O-CG 3.22Å; I136-L140 WeakPolarHBondContact O-CG 3.4Å; I136-L140 PolarHBondContact O-N 2.91Å; I137-L140 PolarHBondContact O-N 2.82Å; L140-G144 WeakPolarHBondContact O-CA 3.5Å; L140-G144 PolarHBondContact O-N 3.09Å |
| 141 | M | 95 | Very high | 93.6 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.1 | -42 | 178.4 | -68.6 | -64.2 | 102.9 | 0 | 0 | 111.9 | Y131 I137 L138 F139 N145 I179 L182 K183 I186 | Y131-M141 HydrophobicContact CD2-CG 4.19Å; Y131-M141 HydrophobicContact CE2-CB 3.69Å; Y131-M141 HydrophobicContact CE2-CG 3.83Å; I137-M141 HydrophobicContact CG2-CG 4.2Å; I137-M141 WeakPolarHBondContact O-CB 3.05Å; I137-M141 VanDerWaalsContact O-CG 3.23Å; I137-M141 WeakPolarHBondContact O-CG 3.28Å; I137-M141 PolarHBondContact O-N 2.7Å; L138-M141 PolarHBondContact O-N 3.44Å; F139-M141 VanDerWaalsContact C-N 3.33Å; F139-M141 PolarHBondContact O-N 3.02Å; M141-N145 WeakPolarHBondContact O-CB 3.23Å; M141-N145 PolarHBondContact O-N 2.9Å; M141-I179 HydrophobicContact CE-CG2 3.77Å; M141-I179 HydrophobicContact SD-CG2 4.08Å; M141-L182 HydrophobicContact CE-CD2 4.29Å; M141-L182 HydrophobicContact SD-CD2 3.79Å; M141-L182 HydrophobicContact SD-CG 4.13Å; M141-K183 HydrophobicContact CB-CD 4.13Å; M141-I186 HydrophobicContact CG-CD1 4.3Å; M141-I186 HydrophobicContact SD-CD1 4.23Å |
| 142 | C | 93.7 | Very high | 94.1 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 28% | 0.277 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.5 | -52 | 177 | -67.2 | 0 | 0 | 0 | 0 | 111.1 | L138 F139 G144 N145 E146 | L138-C142 PolarHBondContact O-N 3.22Å; L138-C142 PolarHBondContact O-SG 3.34Å; L138-C142 VanDerWaalsContact O-SG 3.36Å; F139-C142 PolarHBondContact O-N 2.95Å; C142-G144 VanDerWaalsContact C-N 3.35Å; C142-G144 PolarHBondContact O-N 2.93Å; C142-N145 PolarHBondContact O-N 3.4Å; C142-E146 PolarHBondContact O-N 3.47Å |
| 143 | A | 94.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F139 L147 | F139-A143 HydrophobicContact CE1-CB 4.19Å; F139-A143 HydrophobicContact CE2-CB 4.46Å; F139-A143 HydrophobicContact CZ-CB 4.17Å; F139-A143 WeakPolarHBondContact O-CB 3.22Å; F139-A143 PolarHBondContact O-N 2.91Å; A143-L147 WeakPolarHBondContact O-CB 3.37Å; A143-L147 PolarHBondContact O-N 3.38Å |
| 144 | G | 96.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L140 C142 F148 | L140-G144 WeakPolarHBondContact O-CA 3.5Å; L140-G144 PolarHBondContact O-N 3.09Å; C142-G144 VanDerWaalsContact C-N 3.35Å; C142-G144 PolarHBondContact O-N 2.93Å; G144-F148 PolarHBondContact O-N 2.81Å |
| 145 | N | 97.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 172.4 | 179.6 | 84.7 | 0 | 0 | 0 | 111.7 | M141 C142 L147 F148 Y149 K183 | M141-N145 WeakPolarHBondContact O-CB 3.23Å; M141-N145 PolarHBondContact O-N 2.9Å; C142-N145 PolarHBondContact O-N 3.4Å; N145-L147 VanDerWaalsContact C-N 3.32Å; N145-L147 PolarHBondContact O-N 3.3Å; N145-F148 WeakPolarHBondContact O-CB 2.92Å; N145-F148 PolarHBondContact O-N 3.43Å; N145-Y149 WeakPolarHBondContact O-CD2 3.27Å; N145-Y149 PolarHBondContact O-N 3.39Å; N145-Y149 WeakPolarHBondContact OD1-CE2 3.08Å; N145-K183 HydrophobicContact CB-CB 4.18Å; N145-K183 HydrophobicContact CB-CG 4.03Å |
| 146 | E | 96.4 | Very high | 95.9 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 175.7 | -74.8 | -54.7 | 126.3 | 0 | 0 | 111.9 | Y37 T73 C142 F148 Y149 T150 | Y37-E146 PolarHBondContact OH-OE2 3.25Å; T73-E146 VanDerWaalsContact CG2-OE1 3.32Å; T73-E146 WeakPolarHBondContact CG2-OE1 3.41Å; T73-E146 PolarHBondContact OG1-OE1 3.39Å; C142-E146 PolarHBondContact O-N 3.47Å; E146-F148 VanDerWaalsContact C-N 3.32Å; E146-F148 PolarHBondContact O-N 2.93Å; E146-Y149 PolarHBondContact O-N 3.29Å; E146-T150 WeakPolarHBondContact O-CB 3.42Å; E146-T150 PolarHBondContact O-N 3.41Å; E146-T150 PolarHBondContact O-OG1 3.02Å |
| 147 | L | 97.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 43% | 0.429 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 176.4 | -175.9 | 60.9 | 0 | 0 | 0 | 111.6 | A143 N145 T151 V172 T176 | A143-L147 WeakPolarHBondContact O-CB 3.37Å; A143-L147 PolarHBondContact O-N 3.38Å; N145-L147 VanDerWaalsContact C-N 3.32Å; N145-L147 PolarHBondContact O-N 3.3Å; L147-T151 WeakPolarHBondContact O-CB 3.3Å; L147-T151 PolarHBondContact O-N 3.23Å; L147-T151 PolarHBondContact O-OG1 2.95Å; L147-V172 HydrophobicContact CD1-CG1 4.42Å; L147-V172 HydrophobicContact CD2-CG1 4.23Å; L147-V172 HydrophobicContact CG-CG1 4.13Å; L147-T176 HydrophobicContact CB-CG2 4.27Å; L147-T176 HydrophobicContact CD2-CG2 3.73Å; L147-T176 HydrophobicContact CG-CG2 3.93Å |
| 148 | F | 98.5 | Very high | 96.1 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -54.7 | 175.7 | 174.4 | -108.7 | 0 | 0 | 0 | 111.7 | G144 N145 E146 T151 L152 I173 T176 A177 A180 | G144-F148 PolarHBondContact O-N 2.81Å; N145-F148 WeakPolarHBondContact O-CB 2.92Å; N145-F148 PolarHBondContact O-N 3.43Å; E146-F148 VanDerWaalsContact C-N 3.32Å; E146-F148 PolarHBondContact O-N 2.93Å; F148-T151 PolarHBondContact O-N 2.96Å; F148-L152 HydrophobicContact CD1-CD1 4.15Å; F148-L152 HydrophobicContact CE1-CD1 3.61Å; F148-L152 HydrophobicContact CE2-CD1 4.11Å; F148-L152 HydrophobicContact CE2-CG 4.45Å; F148-L152 HydrophobicContact CZ-CD1 3.6Å; F148-L152 HydrophobicContact CZ-CG 4.4Å; F148-L152 PolarHBondContact O-N 3.38Å; F148-I173 HydrophobicContact CD2-CG2 4.43Å; F148-I173 HydrophobicContact CE2-CG2 3.93Å; F148-T176 WeakPolarHBondContact CA-OG1 3.15Å; F148-A177 HydrophobicContact CD2-CB 4Å; F148-A177 HydrophobicContact CE2-CB 3.55Å; F148-A177 HydrophobicContact CZ-CB 4.31Å; F148-A180 HydrophobicContact CB-CB 3.85Å; F148-A180 HydrophobicContact CD1-CB 3.39Å; F148-A180 HydrophobicContact CD2-CB 4.46Å; F148-A180 HydrophobicContact CE1-CB 4.01Å; F148-A180 HydrophobicContact CG-CB 3.65Å |
| 149 | Y | 98.4 | Very high | 96 | Very high | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | -178.9 | -66.1 | -52.3 | 0 | 0 | 0 | 112.3 | T73 L77 L80 F91 S94 N145 E146 T151 L152 Y153 | T73-Y149 HydrophobicContact CG2-CD2 4.32Å; L77-Y149 HydrophobicContact CD2-CD1 3.56Å; L77-Y149 HydrophobicContact CD2-CD2 4.22Å; L77-Y149 HydrophobicContact CD2-CE1 3.45Å; L77-Y149 VanDerWaalsContact CD2-CE1 3.45Å; L77-Y149 HydrophobicContact CD2-CE2 4.1Å; L77-Y149 HydrophobicContact CD2-CG 3.97Å; L80-Y149 HydrophobicContact CD1-CD1 3.73Å; L80-Y149 HydrophobicContact CD1-CG 4.25Å; F91-Y149 HydrophobicContact CD1-CE1 4.09Å; F91-Y149 HydrophobicContact CE1-CD1 4.32Å; F91-Y149 HydrophobicContact CE1-CE1 4.11Å; S94-Y149 WeakPolarHBondContact CB-OH 3.21Å; S94-Y149 PolarHBondContact OG-OH 3.47Å; N145-Y149 WeakPolarHBondContact O-CD2 3.27Å; N145-Y149 PolarHBondContact O-N 3.39Å; N145-Y149 WeakPolarHBondContact OD1-CE2 3.08Å; E146-Y149 PolarHBondContact O-N 3.29Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 3.26Å; Y149-L152 HydrophobicContact CD1-CD1 4.27Å; Y149-L152 PolarHBondContact O-N 3.12Å; Y149-Y153 PolarHBondContact O-N 3.44Å |
| 150 | T | 98 | Very high | 95.9 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -40 | 176.7 | -57 | 0 | 0 | 0 | 0 | 110.5 | L34 E146 Y153 I154 | L34-T150 HydrophobicContact CD2-CG2 3.69Å; E146-T150 WeakPolarHBondContact O-CB 3.42Å; E146-T150 PolarHBondContact O-N 3.41Å; E146-T150 PolarHBondContact O-OG1 3.02Å; T150-Y153 WeakPolarHBondContact O-CB 3.45Å; T150-Y153 PolarHBondContact O-N 3.13Å; T150-Y153 VanDerWaalsContact O-N 3.17Å; T150-I154 HydrophobicContact CG2-CD1 4.32Å; T150-I154 WeakPolarHBondContact O-CG1 3.35Å; T150-I154 PolarHBondContact O-N 3.43Å |
| 151 | T | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -36.7 | 177.7 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | L147 F148 Y149 Y153 I154 Y155 W169 V172 I173 | L147-T151 WeakPolarHBondContact O-CB 3.3Å; L147-T151 PolarHBondContact O-N 3.23Å; L147-T151 PolarHBondContact O-OG1 2.95Å; F148-T151 PolarHBondContact O-N 2.96Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 3.26Å; T151-Y153 PolarHBondContact O-N 2.87Å; T151-I154 PolarHBondContact O-N 3.44Å; T151-Y155 WeakPolarHBondContact O-CB 3.29Å; T151-Y155 PolarHBondContact O-N 3Å; T151-W169 HydrophobicContact CG2-CB 3.74Å; T151-W169 HydrophobicContact CG2-CD2 4.34Å; T151-W169 HydrophobicContact CG2-CE3 3.89Å; T151-W169 HydrophobicContact CG2-CG 4.32Å; T151-W169 WeakPolarHBondContact CG2-O 3.35Å; T151-V172 HydrophobicContact CG2-CB 3.96Å; T151-V172 HydrophobicContact CG2-CG1 3.9Å; T151-V172 WeakPolarHBondContact OG1-CG1 3.17Å; T151-I173 HydrophobicContact CG2-CD1 4.2Å; T151-I173 HydrophobicContact CG2-CG1 3.7Å |
| 152 | L | 98.3 | Very high | 95.7 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 170.1 | -76.6 | 171.4 | 0 | 0 | 0 | 111.5 | L80 Y84 F91 F148 Y149 Y155 H156 I173 | L80-L152 HydrophobicContact CD1-CB 4.15Å; L80-L152 HydrophobicContact CD1-CD1 4.32Å; L80-L152 HydrophobicContact CD2-CB 3.83Å; Y84-L152 HydrophobicContact CE2-CB 4.43Å; Y84-L152 PolarHBondContact OH-O 3.47Å; Y84-L152 VanDerWaalsContact OH-O 3.05Å; F91-L152 HydrophobicContact CE1-CD1 4.12Å; F91-L152 HydrophobicContact CZ-CD1 4.32Å; F148-L152 HydrophobicContact CD1-CD1 4.15Å; F148-L152 HydrophobicContact CE1-CD1 3.61Å; F148-L152 HydrophobicContact CE2-CD1 4.11Å; F148-L152 HydrophobicContact CE2-CG 4.45Å; F148-L152 HydrophobicContact CZ-CD1 3.6Å; F148-L152 HydrophobicContact CZ-CG 4.4Å; F148-L152 PolarHBondContact O-N 3.38Å; Y149-L152 HydrophobicContact CD1-CD1 4.27Å; Y149-L152 PolarHBondContact O-N 3.12Å; L152-Y155 PolarHBondContact O-N 3.47Å; L152-H156 PolarHBondContact O-N 3.17Å; L152-I173 HydrophobicContact CD2-CD1 3.82Å; L152-I173 HydrophobicContact CD2-CG1 4.15Å; L152-I173 HydrophobicContact CD2-CG2 4.23Å; L152-I173 HydrophobicContact CG-CD1 4.4Å; L152-I173 HydrophobicContact CG-CG1 4.35Å |
| 153 | Y | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 175.6 | 171.3 | -94.3 | 0 | 0 | 0 | 111.6 | M26 C30 T33 L34 L76 F83 Y149 T150 T151 Y155 H156 F157 | M26-Y153 HydrophobicContact CG-CD2 4.2Å; M26-Y153 HydrophobicContact CG-CE2 3.47Å; M26-Y153 VanDerWaalsContact CG-CE2 3.47Å; M26-Y153 VanDerWaalsContact O-CE2 3.23Å; M26-Y153 WeakPolarHBondContact O-CE2 3.38Å; M26-Y153 PolarHBondContact O-OH 2.98Å; C30-Y153 HydrophobicContact CB-CE1 4.43Å; T33-Y153 WeakPolarHBondContact CB-OH 3.21Å; T33-Y153 HydrophobicContact CG2-CE1 3.79Å; T33-Y153 HydrophobicContact CG2-CE2 4.45Å; T33-Y153 WeakPolarHBondContact CG2-OH 3.46Å; L34-Y153 HydrophobicContact CD2-CD1 4.04Å; L34-Y153 HydrophobicContact CD2-CE1 4.24Å; L34-Y153 HydrophobicContact CG-CE1 4.36Å; L76-Y153 HydrophobicContact CD1-CD2 4.19Å; L76-Y153 HydrophobicContact CD1-CG 4Å; F83-Y153 HydrophobicContact CD2-CD2 4.31Å; F83-Y153 AromaticContact CE2-CD2 3.65Å; F83-Y153 HydrophobicContact CE2-CD2 3.65Å; F83-Y153 AromaticContact CE2-CE2 3.63Å; F83-Y153 HydrophobicContact CE2-CE2 3.63Å; F83-Y153 HydrophobicContact CZ-CE2 4.23Å; Y149-Y153 PolarHBondContact O-N 3.44Å; T150-Y153 WeakPolarHBondContact O-CB 3.45Å; T150-Y153 PolarHBondContact O-N 3.13Å; T150-Y153 VanDerWaalsContact O-N 3.17Å; T151-Y153 PolarHBondContact O-N 2.87Å; Y153-Y155 VanDerWaalsContact C-N 3.31Å; Y153-Y155 PolarHBondContact O-N 2.69Å; Y153-H156 WeakPolarHBondContact O-CB 3.34Å; Y153-H156 PolarHBondContact O-N 3.18Å; Y153-F157 HydrophobicContact CD2-CE2 4.39Å; Y153-F157 HydrophobicContact CE1-CE2 4.2Å; Y153-F157 AromaticContact CE2-CE2 3.73Å; Y153-F157 HydrophobicContact CE2-CE2 3.73Å; Y153-F157 HydrophobicContact CE2-CZ 4.48Å; Y153-F157 AromaticContact CZ-CE2 3.61Å; Y153-F157 WeakPolarHBondContact O-CD2 3.05Å |
| 154 | I | 97.6 | Very high | 95.3 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 176.2 | -61.2 | 170.3 | 0 | 0 | 0 | 110.8 | L34 T150 T151 H156 F157 Y158 W169 | L34-I154 HydrophobicContact CD1-CD1 3.88Å; L34-I154 HydrophobicContact CD1-CG1 3.67Å; L34-I154 HydrophobicContact CD2-CD1 3.79Å; L34-I154 HydrophobicContact CD2-CG1 3.57Å; L34-I154 HydrophobicContact CG-CD1 4.48Å; L34-I154 HydrophobicContact CG-CG1 4.17Å; T150-I154 HydrophobicContact CG2-CD1 4.32Å; T150-I154 WeakPolarHBondContact O-CG1 3.35Å; T150-I154 PolarHBondContact O-N 3.43Å; T151-I154 PolarHBondContact O-N 3.44Å; I154-H156 PolarHBondContact O-N 2.98Å; I154-F157 PolarHBondContact O-N 3.41Å; I154-Y158 PolarHBondContact O-N 2.87Å; I154-W169 HydrophobicContact CG2-CD2 4.1Å; I154-W169 HydrophobicContact CG2-CG 4.1Å; I154-W169 HydrophobicContact CG2-CZ2 4.28Å |
| 155 | Y | 96.8 | Very high | 94.9 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -26.8 | -176.7 | -172.4 | -105.2 | 0 | 0 | 0 | 113 | T151 L152 Y153 F157 Y158 T159 W169 I173 | T151-Y155 WeakPolarHBondContact O-CB 3.29Å; T151-Y155 PolarHBondContact O-N 3Å; L152-Y155 PolarHBondContact O-N 3.47Å; Y153-Y155 VanDerWaalsContact C-N 3.31Å; Y153-Y155 PolarHBondContact O-N 2.69Å; Y155-F157 VanDerWaalsContact C-N 3.29Å; Y155-F157 PolarHBondContact O-N 3.32Å; Y155-Y158 WeakPolarHBondContact CA-O 3.39Å; Y155-T159 HydrophobicContact CD2-CG2 4.33Å; Y155-T159 HydrophobicContact CE2-CG2 3.74Å; Y155-W169 HydrophobicContact CD2-CB 3.99Å; Y155-I173 HydrophobicContact CD1-CD1 4.14Å; Y155-I173 HydrophobicContact CD2-CD1 4.15Å; Y155-I173 HydrophobicContact CG-CD1 3.74Å |
| 156 | H | 96.2 | Very high | 94.4 | Very high | 81 Ų | 81 | 65 Ų | 65 | 38% | 0.375 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 172.1 | -179.1 | 72.1 | 0 | 0 | 0 | 112.2 | F83 Y84 L152 Y153 I154 | F83-H156 HydrophobicContact CB-CB 4.48Å; F83-H156 AromaticContact CD1-CD2 3.67Å; F83-H156 AromaticContact CD1-CE1 3.56Å; F83-H156 AromaticContact CD1-CG 4Å; F83-H156 AromaticContact CD1-ND1 3.93Å; F83-H156 AromaticContact CD1-NE2 3.38Å; F83-H156 WeakPolarHBondContact CD1-NE2 3.44Å; F83-H156 HydrophobicContact CD2-CB 3.69Å; F83-H156 AromaticContact CD2-CD2 3.58Å; F83-H156 AromaticContact CD2-CG 3.44Å; F83-H156 VanDerWaalsContact CD2-CG 3.44Å; F83-H156 AromaticContact CD2-ND1 3.96Å; F83-H156 AromaticContact CE1-CD2 3.63Å; F83-H156 AromaticContact CE1-NE2 3.47Å; F83-H156 WeakPolarHBondContact CE1-NE2 3.3Å; F83-H156 HydrophobicContact CE2-CB 4.1Å; F83-H156 AromaticContact CE2-CD2 3.51Å; F83-H156 AromaticContact CE2-CG 3.83Å; F83-H156 HydrophobicContact CG-CB 4.21Å; F83-H156 AromaticContact CG-CD2 3.66Å; F83-H156 AromaticContact CG-CE1 3.7Å; F83-H156 AromaticContact CG-CG 3.54Å; F83-H156 AromaticContact CG-ND1 3.57Å; F83-H156 AromaticContact CG-NE2 3.77Å; F83-H156 AromaticContact CZ-CD2 3.55Å; F83-H156 AromaticContact CZ-NE2 3.91Å; Y84-H156 HydrophobicContact CE2-CB 4.41Å; Y84-H156 WeakPolarHBondContact OH-CA 3.23Å; Y84-H156 PolarHBondContact OH-N 3.07Å; Y84-H156 VanDerWaalsContact OH-N 3.12Å; L152-H156 PolarHBondContact O-N 3.17Å; Y153-H156 WeakPolarHBondContact O-CB 3.34Å; Y153-H156 PolarHBondContact O-N 3.18Å; I154-H156 PolarHBondContact O-N 2.98Å |
| 157 | F | 95.5 | Very high | 94.2 | Very high | 58 Ų | 58 | 64 Ų | 64 | 25% | 0.254 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -91.4 | -44.2 | -177.7 | -65.2 | -89.2 | 0 | 0 | 0 | 112.6 | C30 F83 Y153 I154 Y155 | C30-F157 HydrophobicContact CB-CB 4.17Å; C30-F157 HydrophobicContact CB-CD1 3.99Å; C30-F157 HydrophobicContact CB-CD2 3.62Å; C30-F157 HydrophobicContact CB-CE1 4.26Å; C30-F157 HydrophobicContact CB-CE2 3.91Å; C30-F157 HydrophobicContact CB-CG 3.66Å; C30-F157 HydrophobicContact CB-CZ 4.22Å; F83-F157 AromaticContact CE2-CE2 3.73Å; F83-F157 HydrophobicContact CE2-CE2 3.73Å; F83-F157 HydrophobicContact CE2-CZ 4.17Å; F83-F157 AromaticContact CZ-CE2 3.84Å; F83-F157 HydrophobicContact CZ-CE2 3.84Å; F83-F157 AromaticContact CZ-CZ 3.77Å; F83-F157 HydrophobicContact CZ-CZ 3.77Å; Y153-F157 HydrophobicContact CD2-CE2 4.39Å; Y153-F157 HydrophobicContact CE1-CE2 4.2Å; Y153-F157 AromaticContact CE2-CE2 3.73Å; Y153-F157 HydrophobicContact CE2-CE2 3.73Å; Y153-F157 HydrophobicContact CE2-CZ 4.48Å; Y153-F157 AromaticContact CZ-CE2 3.61Å; Y153-F157 WeakPolarHBondContact O-CD2 3.05Å; I154-F157 PolarHBondContact O-N 3.41Å; Y155-F157 VanDerWaalsContact C-N 3.29Å; Y155-F157 PolarHBondContact O-N 3.32Å |
| 158 | Y | 92.8 | Very high | 94.1 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 46% | 0.459 | 32% | 0.322 | S | S | . | . | trans | -141.1 | 135.2 | -173.7 | -39.5 | -72.2 | 0 | 0 | 0 | 109.8 | C30 I154 Y155 G160 | C30-Y158 HydrophobicContact CB-CE2 3.96Å; I154-Y158 PolarHBondContact O-N 2.87Å; Y155-Y158 WeakPolarHBondContact CA-O 3.39Å; Y158-G160 VanDerWaalsContact C-N 3.28Å | ||
| 159 | T | 89.1 | Confident | 94 | Very high | 77 Ų | 77 | 64.4 Ų | 64.4 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | trans | -79.3 | -13.9 | 174.2 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | Y155 G167 L168 W169 | Y155-T159 HydrophobicContact CD2-CG2 4.33Å; Y155-T159 HydrophobicContact CE2-CG2 3.74Å; T159-G167 CarbonylContact O-C 3.58Å; T159-G167 WeakPolarHBondContact O-CA 3.1Å; T159-L168 PolarHBondContact O-N 3.09Å; T159-W169 PolarHBondContact O-N 2.93Å | ||
| 160 | G | 90.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 65.7 Ų | 65.7 | 24% | 0.237 | 34% | 0.339 | C | S | . | . | trans | 82.3 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y158 W169 | Y158-G160 VanDerWaalsContact C-N 3.28Å; G160-W169 VanDerWaalsContact N-CD1 3.34Å | ||
| 161 | P | 93.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 67.6 Ų | 67.6 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -60.8 | 147.8 | 176.8 | 26.7 | -34.2 | 0 | 0 | 0 | 110.7 | V163 L168 | P161-V163 PolarHBondContact O-N 3.06Å; P161-L168 HydrophobicContact CG-CB 4.11Å; P161-L168 HydrophobicContact CG-CD2 4.01Å; P161-L168 WeakPolarHBondContact O-CB 3.5Å; P161-L168 PolarHBondContact O-N 3.42Å |
| 162 | K | 91.7 | Very high | 93.7 | Very high | 177 Ų | 177 | 68.8 Ų | 68.8 | 77% | 0.77 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.1 | 175.7 | -68.2 | -174.6 | -179.8 | -179.1 | 0 | 110 | F166 | K162-F166 CarbonylContact C-O 3.59Å; K162-F166 VanDerWaalsContact CA-O 3.3Å; K162-F166 WeakPolarHBondContact CA-O 3.37Å |
| 163 | V | 90.6 | Very high | 93.7 | Very high | 52 Ų | 52 | 69 Ų | 69 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.3 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 107.1 | P161 G165 F166 L168 I171 | P161-V163 PolarHBondContact O-N 3.06Å; V163-G165 PolarHBondContact O-N 3.16Å; V163-G165 VanDerWaalsContact O-N 3.11Å; V163-F166 PolarHBondContact N-O 3.44Å; V163-F166 PolarHBondContact O-N 3.15Å; V163-F166 VanDerWaalsContact O-O 3.08Å; V163-L168 HydrophobicContact CG2-CB 4.33Å; V163-L168 HydrophobicContact CG2-CD1 4.27Å; V163-I171 HydrophobicContact CB-CD1 3.97Å; V163-I171 HydrophobicContact CG1-CD1 4.28Å |
| 164 | F | 89.2 | Confident | 93.6 | Very high | 195 Ų | 195 | 71.1 Ų | 71.1 | 86% | 0.855 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 32.8 | -172.8 | -57.1 | -69.6 | 0 | 0 | 0 | 114.3 | F166 | F164-F166 VanDerWaalsContact C-N 3.29Å; F164-F166 WeakPolarHBondContact O-CD2 3.1Å; F164-F166 PolarHBondContact O-N 2.73Å |
| 165 | G | 89 | Confident | 93.5 | Very high | 62 Ų | 62 | 76.3 Ų | 76.3 | 64% | 0.639 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -13.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V163 | V163-G165 PolarHBondContact O-N 3.16Å; V163-G165 VanDerWaalsContact O-N 3.11Å |
| 166 | F | 87.5 | Confident | 93.6 | Very high | 137 Ų | 137 | 72.5 Ų | 72.5 | 60% | 0.601 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 150.8 | 176.9 | -60.4 | -83.1 | 0 | 0 | 0 | 111.3 | K162 V163 F164 I171 | K162-F166 CarbonylContact C-O 3.59Å; K162-F166 VanDerWaalsContact CA-O 3.3Å; K162-F166 WeakPolarHBondContact CA-O 3.37Å; V163-F166 PolarHBondContact N-O 3.44Å; V163-F166 PolarHBondContact O-N 3.15Å; V163-F166 VanDerWaalsContact O-O 3.08Å; F164-F166 VanDerWaalsContact C-N 3.29Å; F164-F166 WeakPolarHBondContact O-CD2 3.1Å; F164-F166 PolarHBondContact O-N 2.73Å; F166-I171 HydrophobicContact CB-CD1 4.06Å; F166-I171 HydrophobicContact CB-CG1 3.91Å |
| 167 | G | 92.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 70.4 Ų | 70.4 | 13% | 0.134 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T159 W169 S170 I171 | T159-G167 CarbonylContact O-C 3.58Å; T159-G167 WeakPolarHBondContact O-CA 3.1Å; G167-W169 PolarHBondContact O-N 3.2Å; G167-W169 VanDerWaalsContact O-N 3.15Å; G167-S170 PolarHBondContact N-OG 3.39Å; G167-S170 WeakPolarHBondContact O-CB 3.35Å; G167-S170 PolarHBondContact O-N 2.95Å; G167-S170 PolarHBondContact O-OG 2.98Å; G167-I171 PolarHBondContact O-N 3.01Å |
| 168 | L | 95 | Very high | 93.8 | Very high | 54 Ų | 54 | 71.5 Ų | 71.5 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -47 | -47 | -178.4 | 174.6 | 63.5 | 0 | 0 | 0 | 112.7 | T159 P161 V163 S170 I171 V172 | T159-L168 PolarHBondContact O-N 3.09Å; P161-L168 HydrophobicContact CG-CB 4.11Å; P161-L168 HydrophobicContact CG-CD2 4.01Å; P161-L168 WeakPolarHBondContact O-CB 3.5Å; P161-L168 PolarHBondContact O-N 3.42Å; V163-L168 HydrophobicContact CG2-CB 4.33Å; V163-L168 HydrophobicContact CG2-CD1 4.27Å; L168-S170 VanDerWaalsContact C-N 3.31Å; L168-S170 PolarHBondContact O-N 3.27Å; L168-I171 WeakPolarHBondContact O-CB 3.48Å; L168-I171 PolarHBondContact O-N 2.82Å; L168-I171 VanDerWaalsContact O-N 3.14Å; L168-V172 HydrophobicContact CD1-CG2 4.41Å; L168-V172 WeakPolarHBondContact O-CG2 3.34Å; L168-V172 PolarHBondContact O-N 3.44Å |
| 169 | W | 95.4 | Very high | 94.1 | Very high | 69 Ų | 69 | 68.2 Ų | 68.2 | 26% | 0.261 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.6 | -29.7 | -176.6 | -56.5 | 131.5 | 0 | 0 | 0 | 112.6 | T151 I154 Y155 T159 G160 G167 I171 V172 I173 | T151-W169 HydrophobicContact CG2-CB 3.74Å; T151-W169 HydrophobicContact CG2-CD2 4.34Å; T151-W169 HydrophobicContact CG2-CE3 3.89Å; T151-W169 HydrophobicContact CG2-CG 4.32Å; T151-W169 WeakPolarHBondContact CG2-O 3.35Å; I154-W169 HydrophobicContact CG2-CD2 4.1Å; I154-W169 HydrophobicContact CG2-CG 4.1Å; I154-W169 HydrophobicContact CG2-CZ2 4.28Å; Y155-W169 HydrophobicContact CD2-CB 3.99Å; T159-W169 PolarHBondContact O-N 2.93Å; G160-W169 VanDerWaalsContact N-CD1 3.34Å; G167-W169 PolarHBondContact O-N 3.2Å; G167-W169 VanDerWaalsContact O-N 3.15Å; W169-I171 VanDerWaalsContact C-N 3.31Å; W169-I171 PolarHBondContact O-N 2.88Å; W169-V172 HydrophobicContact CE3-CG2 4.28Å; W169-V172 PolarHBondContact O-N 3.28Å; W169-I173 WeakPolarHBondContact O-CB 3.46Å; W169-I173 WeakPolarHBondContact O-CD1 3.41Å; W169-I173 VanDerWaalsContact O-CG1 3.22Å; W169-I173 WeakPolarHBondContact O-CG1 3.38Å; W169-I173 PolarHBondContact O-N 3.26Å |
| 170 | S | 94.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 64.8 Ų | 64.8 | 26% | 0.259 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 172.3 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | G167 L168 G174 | G167-S170 PolarHBondContact N-OG 3.39Å; G167-S170 WeakPolarHBondContact O-CB 3.35Å; G167-S170 PolarHBondContact O-N 2.95Å; G167-S170 PolarHBondContact O-OG 2.98Å; L168-S170 VanDerWaalsContact C-N 3.31Å; L168-S170 PolarHBondContact O-N 3.27Å; S170-G174 PolarHBondContact O-N 3.2Å |
| 171 | I | 95.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 70.2 Ų | 70.2 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 174.4 | -61.2 | 168.5 | 0 | 0 | 0 | 109.8 | V163 F166 G167 L168 W169 I173 G174 L175 | V163-I171 HydrophobicContact CB-CD1 3.97Å; V163-I171 HydrophobicContact CG1-CD1 4.28Å; F166-I171 HydrophobicContact CB-CD1 4.06Å; F166-I171 HydrophobicContact CB-CG1 3.91Å; G167-I171 PolarHBondContact O-N 3.01Å; L168-I171 WeakPolarHBondContact O-CB 3.48Å; L168-I171 PolarHBondContact O-N 2.82Å; L168-I171 VanDerWaalsContact O-N 3.14Å; W169-I171 VanDerWaalsContact C-N 3.31Å; W169-I171 PolarHBondContact O-N 2.88Å; I171-I173 VanDerWaalsContact C-N 3.34Å; I171-I173 PolarHBondContact O-N 2.93Å; I171-G174 PolarHBondContact O-N 3.47Å; I171-G174 VanDerWaalsContact O-N 3.11Å; I171-L175 HydrophobicContact CG2-CD1 3.99Å; I171-L175 HydrophobicContact CG2-CG 4.32Å; I171-L175 WeakPolarHBondContact O-CG 3.47Å; I171-L175 PolarHBondContact O-N 3.25Å |
| 172 | V | 97.4 | Very high | 94.9 | Very high | 26 Ų | 26 | 70 Ų | 70 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 179.5 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | L147 T151 L168 W169 G174 L175 T176 | L147-V172 HydrophobicContact CD1-CG1 4.42Å; L147-V172 HydrophobicContact CD2-CG1 4.23Å; L147-V172 HydrophobicContact CG-CG1 4.13Å; T151-V172 HydrophobicContact CG2-CB 3.96Å; T151-V172 HydrophobicContact CG2-CG1 3.9Å; T151-V172 WeakPolarHBondContact OG1-CG1 3.17Å; L168-V172 HydrophobicContact CD1-CG2 4.41Å; L168-V172 WeakPolarHBondContact O-CG2 3.34Å; L168-V172 PolarHBondContact O-N 3.44Å; W169-V172 HydrophobicContact CE3-CG2 4.28Å; W169-V172 PolarHBondContact O-N 3.28Å; V172-G174 PolarHBondContact O-N 2.94Å; V172-L175 PolarHBondContact O-N 3.43Å; V172-T176 HydrophobicContact CG1-CG2 4.23Å; V172-T176 WeakPolarHBondContact O-CB 3.31Å; V172-T176 WeakPolarHBondContact O-CG2 3.46Å; V172-T176 PolarHBondContact O-N 3.06Å; V172-T176 PolarHBondContact O-OG1 3.23Å |
| 173 | I | 97.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 61.8 Ų | 61.8 | 14% | 0.138 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 171.8 | -71.9 | 161.1 | 0 | 0 | 0 | 110.1 | F148 T151 L152 Y155 W169 I171 L175 T176 A177 | F148-I173 HydrophobicContact CD2-CG2 4.43Å; F148-I173 HydrophobicContact CE2-CG2 3.93Å; T151-I173 HydrophobicContact CG2-CD1 4.2Å; T151-I173 HydrophobicContact CG2-CG1 3.7Å; L152-I173 HydrophobicContact CD2-CD1 3.82Å; L152-I173 HydrophobicContact CD2-CG1 4.15Å; L152-I173 HydrophobicContact CD2-CG2 4.23Å; L152-I173 HydrophobicContact CG-CD1 4.4Å; L152-I173 HydrophobicContact CG-CG1 4.35Å; Y155-I173 HydrophobicContact CD1-CD1 4.14Å; Y155-I173 HydrophobicContact CD2-CD1 4.15Å; Y155-I173 HydrophobicContact CG-CD1 3.74Å; W169-I173 WeakPolarHBondContact O-CB 3.46Å; W169-I173 WeakPolarHBondContact O-CD1 3.41Å; W169-I173 VanDerWaalsContact O-CG1 3.22Å; W169-I173 WeakPolarHBondContact O-CG1 3.38Å; W169-I173 PolarHBondContact O-N 3.26Å; I171-I173 VanDerWaalsContact C-N 3.34Å; I171-I173 PolarHBondContact O-N 2.93Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 3.4Å; I173-T176 PolarHBondContact O-N 3.32Å; I173-T176 PolarHBondContact O-OG1 3.44Å; I173-A177 VanDerWaalsContact O-CB 3.26Å; I173-A177 WeakPolarHBondContact O-CB 3.41Å; I173-A177 PolarHBondContact O-N 2.73Å |
| 174 | G | 96.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S170 I171 V172 P178 | S170-G174 PolarHBondContact O-N 3.2Å; I171-G174 PolarHBondContact O-N 3.47Å; I171-G174 VanDerWaalsContact O-N 3.11Å; V172-G174 PolarHBondContact O-N 2.94Å; G174-P178 WeakPolarHBondContact O-CD 3.35Å |
| 175 | L | 97 | Very high | 95.7 | Very high | 124 Ų | 124 | 54.6 Ų | 54.6 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -74.9 | -31.9 | 178.9 | -68.1 | 175.9 | 0 | 0 | 0 | 113.4 | I171 V172 I173 | I171-L175 HydrophobicContact CG2-CD1 3.99Å; I171-L175 HydrophobicContact CG2-CG 4.32Å; I171-L175 WeakPolarHBondContact O-CG 3.47Å; I171-L175 PolarHBondContact O-N 3.25Å; V172-L175 PolarHBondContact O-N 3.43Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 3.4Å |
| 176 | T | 98.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -95.4 | -20.2 | -175.4 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | L147 F148 V172 I173 I179 A180 | L147-T176 HydrophobicContact CB-CG2 4.27Å; L147-T176 HydrophobicContact CD2-CG2 3.73Å; L147-T176 HydrophobicContact CG-CG2 3.93Å; F148-T176 WeakPolarHBondContact CA-OG1 3.15Å; V172-T176 HydrophobicContact CG1-CG2 4.23Å; V172-T176 WeakPolarHBondContact O-CB 3.31Å; V172-T176 WeakPolarHBondContact O-CG2 3.46Å; V172-T176 PolarHBondContact O-N 3.06Å; V172-T176 PolarHBondContact O-OG1 3.23Å; I173-T176 PolarHBondContact O-N 3.32Å; I173-T176 PolarHBondContact O-OG1 3.44Å; T176-I179 WeakPolarHBondContact O-CA 3.3Å; T176-I179 WeakPolarHBondContact O-CB 3.22Å; T176-I179 PolarHBondContact O-N 3.45Å; T176-A180 PolarHBondContact O-N 2.92Å |
| 177 | A | 98.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.8 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F148 I173 I179 A180 F181 | F148-A177 HydrophobicContact CD2-CB 4Å; F148-A177 HydrophobicContact CE2-CB 3.55Å; F148-A177 HydrophobicContact CZ-CB 4.31Å; I173-A177 VanDerWaalsContact O-CB 3.26Å; I173-A177 WeakPolarHBondContact O-CB 3.41Å; I173-A177 PolarHBondContact O-N 2.73Å; A177-I179 VanDerWaalsContact C-N 3.26Å; A177-I179 PolarHBondContact O-N 3.07Å; A177-A180 PolarHBondContact O-N 3.28Å; A177-F181 WeakPolarHBondContact O-CB 3.43Å; A177-F181 PolarHBondContact O-N 3.3Å |
| 178 | P | 98.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 175 | -23.2 | 34.9 | 0 | 0 | 0 | 113 | G174 L182 | G174-P178 WeakPolarHBondContact O-CD 3.35Å; P178-L182 VanDerWaalsContact O-CB 3.29Å; P178-L182 WeakPolarHBondContact O-CB 3.49Å; P178-L182 PolarHBondContact O-N 3.39Å |
| 179 | I | 97.7 | Very high | 96.4 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.2 | -46 | 178.1 | -58.2 | 173.3 | 0 | 0 | 0 | 110.2 | M141 T176 A177 F181 L182 K183 | M141-I179 HydrophobicContact CE-CG2 3.77Å; M141-I179 HydrophobicContact SD-CG2 4.08Å; T176-I179 WeakPolarHBondContact O-CA 3.3Å; T176-I179 WeakPolarHBondContact O-CB 3.22Å; T176-I179 PolarHBondContact O-N 3.45Å; A177-I179 VanDerWaalsContact C-N 3.26Å; A177-I179 PolarHBondContact O-N 3.07Å; I179-F181 VanDerWaalsContact C-N 3.34Å; I179-F181 PolarHBondContact O-N 3.41Å; I179-L182 PolarHBondContact O-N 2.99Å; I179-K183 WeakPolarHBondContact O-CB 3.47Å; I179-K183 PolarHBondContact O-N 2.97Å |
| 180 | A | 97.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F148 T176 A177 K183 M184 | F148-A180 HydrophobicContact CB-CB 3.85Å; F148-A180 HydrophobicContact CD1-CB 3.39Å; F148-A180 HydrophobicContact CD2-CB 4.46Å; F148-A180 HydrophobicContact CE1-CB 4.01Å; F148-A180 HydrophobicContact CG-CB 3.65Å; T176-A180 PolarHBondContact O-N 2.92Å; A177-A180 PolarHBondContact O-N 3.28Å; A180-K183 PolarHBondContact O-N 2.85Å; A180-M184 PolarHBondContact O-N 2.91Å |
| 181 | F | 97.2 | Very high | 96.1 | Very high | 138 Ų | 138 | 45.6 Ų | 45.6 | 61% | 0.605 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 174.4 | -177.7 | -105.1 | 0 | 0 | 0 | 112.2 | A177 I179 K183 M184 L185 | A177-F181 WeakPolarHBondContact O-CB 3.43Å; A177-F181 PolarHBondContact O-N 3.3Å; I179-F181 VanDerWaalsContact C-N 3.34Å; I179-F181 PolarHBondContact O-N 3.41Å; F181-K183 VanDerWaalsContact C-N 3.35Å; F181-K183 PolarHBondContact O-N 3.48Å; F181-M184 VanDerWaalsContact O-CB 3.3Å; F181-M184 WeakPolarHBondContact O-CB 3.46Å; F181-M184 PolarHBondContact O-N 3.39Å; F181-L185 HydrophobicContact CD1-CD1 4.15Å; F181-L185 HydrophobicContact CE1-CD1 3.64Å; F181-L185 HydrophobicContact CE1-CG 4.18Å; F181-L185 HydrophobicContact CZ-CD1 4.14Å; F181-L185 HydrophobicContact CZ-CD2 4.29Å; F181-L185 HydrophobicContact CZ-CG 4.32Å; F181-L185 PolarHBondContact O-N 2.89Å; F181-L185 VanDerWaalsContact O-N 3.09Å |
| 182 | L | 96.2 | Very high | 96 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.4 | -177.2 | 60.2 | 0 | 0 | 0 | 111.9 | M141 P178 I179 M184 L185 I186 | M141-L182 HydrophobicContact CE-CD2 4.29Å; M141-L182 HydrophobicContact SD-CD2 3.79Å; M141-L182 HydrophobicContact SD-CG 4.13Å; P178-L182 VanDerWaalsContact O-CB 3.29Å; P178-L182 WeakPolarHBondContact O-CB 3.49Å; P178-L182 PolarHBondContact O-N 3.39Å; I179-L182 PolarHBondContact O-N 2.99Å; L182-M184 VanDerWaalsContact C-N 3.31Å; L182-M184 PolarHBondContact O-N 3.2Å; L182-L185 PolarHBondContact O-N 3.46Å; L182-I186 HydrophobicContact CG-CD1 4.14Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 3.03Å |
| 183 | K | 95.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 174.9 | -178.9 | 69.3 | -177.7 | 97.3 | 0 | 111.5 | Y131 M141 N145 I179 A180 F181 I186 S187 | Y131-K183 WeakPolarHBondContact OH-CE 3.41Å; Y131-K183 PolarHBondContact OH-NZ 2.91Å; M141-K183 HydrophobicContact CB-CD 4.13Å; N145-K183 HydrophobicContact CB-CB 4.18Å; N145-K183 HydrophobicContact CB-CG 4.03Å; I179-K183 WeakPolarHBondContact O-CB 3.47Å; I179-K183 PolarHBondContact O-N 2.97Å; A180-K183 PolarHBondContact O-N 2.85Å; F181-K183 VanDerWaalsContact C-N 3.35Å; F181-K183 PolarHBondContact O-N 3.48Å; K183-I186 PolarHBondContact O-N 3.4Å; K183-S187 PolarHBondContact NZ-OG 3.36Å; K183-S187 VanDerWaalsContact NZ-OG 3.11Å; K183-S187 WeakPolarHBondContact O-CB 3.07Å; K183-S187 PolarHBondContact O-N 3.19Å; K183-S187 PolarHBondContact O-OG 3.09Å |
| 184 | M | 95.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -49 | 172.3 | -174.5 | 76 | 68.4 | 0 | 0 | 111.4 | F93 S94 V97 A180 F181 L182 I186 S187 L188 | F93-M184 HydrophobicContact CD1-CE 4.39Å; F93-M184 HydrophobicContact CD1-SD 4Å; F93-M184 HydrophobicContact CE1-CG 4.33Å; F93-M184 HydrophobicContact CE1-SD 4.17Å; S94-M184 WeakPolarHBondContact OG-CE 3.28Å; V97-M184 HydrophobicContact CB-SD 3.94Å; V97-M184 HydrophobicContact CG1-SD 4.05Å; V97-M184 HydrophobicContact CG2-SD 4.25Å; A180-M184 PolarHBondContact O-N 2.91Å; F181-M184 VanDerWaalsContact O-CB 3.3Å; F181-M184 WeakPolarHBondContact O-CB 3.46Å; F181-M184 PolarHBondContact O-N 3.39Å; L182-M184 VanDerWaalsContact C-N 3.31Å; L182-M184 PolarHBondContact O-N 3.2Å; M184-I186 VanDerWaalsContact C-N 3.35Å; M184-I186 PolarHBondContact O-N 3.41Å; M184-S187 WeakPolarHBondContact O-CB 3.4Å; M184-S187 PolarHBondContact O-N 2.94Å; M184-S187 VanDerWaalsContact O-N 3.09Å; M184-L188 PolarHBondContact O-N 2.97Å |
| 185 | L | 95.7 | Very high | 94.9 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 178.3 | -65.1 | 179.9 | 0 | 0 | 0 | 112 | F181 L182 S187 L188 I189 | F181-L185 HydrophobicContact CD1-CD1 4.15Å; F181-L185 HydrophobicContact CE1-CD1 3.64Å; F181-L185 HydrophobicContact CE1-CG 4.18Å; F181-L185 HydrophobicContact CZ-CD1 4.14Å; F181-L185 HydrophobicContact CZ-CD2 4.29Å; F181-L185 HydrophobicContact CZ-CG 4.32Å; F181-L185 PolarHBondContact O-N 2.89Å; F181-L185 VanDerWaalsContact O-N 3.09Å; L182-L185 PolarHBondContact O-N 3.46Å; L185-S187 VanDerWaalsContact C-N 3.26Å; L185-S187 PolarHBondContact O-N 2.56Å; L185-L188 HydrophobicContact CD2-CD1 4.47Å; L185-L188 PolarHBondContact O-N 3.23Å; L185-I189 WeakPolarHBondContact O-CG1 3.39Å; L185-I189 PolarHBondContact O-N 2.93Å |
| 186 | I | 93.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 174.4 | -68.5 | 167 | 0 | 0 | 0 | 110.6 | L128 Y131 M141 L182 K183 M184 I189 Q190 | L128-I186 HydrophobicContact CD1-CG2 4.38Å; Y131-I186 HydrophobicContact CD1-CG2 3.69Å; Y131-I186 HydrophobicContact CD2-CD1 3.93Å; Y131-I186 HydrophobicContact CD2-CG2 4.18Å; Y131-I186 HydrophobicContact CE1-CG2 3.8Å; Y131-I186 HydrophobicContact CE2-CD1 4.24Å; Y131-I186 HydrophobicContact CE2-CG2 4.3Å; Y131-I186 HydrophobicContact CG-CD1 4.46Å; Y131-I186 HydrophobicContact CG-CG2 3.88Å; M141-I186 HydrophobicContact CG-CD1 4.3Å; M141-I186 HydrophobicContact SD-CD1 4.23Å; L182-I186 HydrophobicContact CG-CD1 4.14Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 3.03Å; K183-I186 PolarHBondContact O-N 3.4Å; M184-I186 VanDerWaalsContact C-N 3.35Å; M184-I186 PolarHBondContact O-N 3.41Å; I186-I189 PolarHBondContact O-N 2.98Å; I186-Q190 WeakPolarHBondContact O-CB 3.27Å; I186-Q190 PolarHBondContact O-N 3.3Å |
| 187 | S | 94.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.8 | -34.1 | 179.9 | -52 | 0 | 0 | 0 | 0 | 111.6 | S101 K183 M184 L185 Q190 L191 | S101-S187 WeakPolarHBondContact CB-O 3.24Å; K183-S187 PolarHBondContact NZ-OG 3.36Å; K183-S187 VanDerWaalsContact NZ-OG 3.11Å; K183-S187 WeakPolarHBondContact O-CB 3.07Å; K183-S187 PolarHBondContact O-N 3.19Å; K183-S187 PolarHBondContact O-OG 3.09Å; M184-S187 WeakPolarHBondContact O-CB 3.4Å; M184-S187 PolarHBondContact O-N 2.94Å; M184-S187 VanDerWaalsContact O-N 3.09Å; L185-S187 VanDerWaalsContact C-N 3.26Å; L185-S187 PolarHBondContact O-N 2.56Å; S187-Q190 WeakPolarHBondContact O-CB 3.27Å; S187-Q190 PolarHBondContact O-N 3.19Å; S187-L191 WeakPolarHBondContact O-CB 3.2Å; S187-L191 PolarHBondContact O-N 3.03Å |
| 188 | L | 95.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 169.2 | -72.4 | 171.5 | 0 | 0 | 0 | 112.5 | F93 V97 M184 L185 Q190 L191 H192 | F93-L188 HydrophobicContact CE1-CD1 4.39Å; F93-L188 HydrophobicContact CZ-CD1 4.38Å; F93-L188 HydrophobicContact CZ-CD2 4.1Å; V97-L188 HydrophobicContact CB-CD2 4.42Å; V97-L188 HydrophobicContact CG1-CD2 3.81Å; V97-L188 HydrophobicContact CG1-CG 3.9Å; V97-L188 HydrophobicContact CG2-CD2 3.65Å; V97-L188 HydrophobicContact CG2-CG 4.37Å; M184-L188 PolarHBondContact O-N 2.97Å; L185-L188 HydrophobicContact CD2-CD1 4.47Å; L185-L188 PolarHBondContact O-N 3.23Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-Q190 PolarHBondContact O-N 3.06Å; L188-L191 PolarHBondContact O-N 2.88Å; L188-H192 PolarHBondContact O-N 3.13Å |
| 189 | I | 93.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 175 | -69.4 | 166.8 | 0 | 0 | 0 | 110.5 | N125 L128 L185 I186 H192 A193 | N125-I189 HydrophobicContact CB-CG2 4.33Å; N125-I189 WeakPolarHBondContact ND2-CG2 3.41Å; L128-I189 HydrophobicContact CB-CG2 4.43Å; L185-I189 WeakPolarHBondContact O-CG1 3.39Å; L185-I189 PolarHBondContact O-N 2.93Å; I186-I189 PolarHBondContact O-N 2.98Å; I189-H192 PolarHBondContact O-N 3Å; I189-A193 WeakPolarHBondContact O-CB 3.39Å; I189-A193 PolarHBondContact O-N 2.86Å |
| 190 | Q | 92 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 175.5 | 176.7 | 178.7 | -35.8 | 0 | 0 | 111.5 | S101 H102 H105 L128 Y132 I186 S187 L188 A193 A194 | S101-Q190 PolarHBondContact O-NE2 2.65Å; S101-Q190 VanDerWaalsContact O-NE2 3.15Å; H102-Q190 PolarHBondContact CD2-NE2 2.99Å; H105-Q190 HydrophobicContact CB-CG 4.11Å; L128-Q190 HydrophobicContact CD1-CB 4.03Å; Y132-Q190 VanDerWaalsContact OH-CD 3.29Å; Y132-Q190 PolarHBondContact OH-OE1 2.87Å; I186-Q190 WeakPolarHBondContact O-CB 3.27Å; I186-Q190 PolarHBondContact O-N 3.3Å; S187-Q190 WeakPolarHBondContact O-CB 3.27Å; S187-Q190 PolarHBondContact O-N 3.19Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-Q190 PolarHBondContact O-N 3.06Å; Q190-A193 PolarHBondContact O-N 3.15Å; Q190-A194 VanDerWaalsContact O-CB 3.3Å; Q190-A194 WeakPolarHBondContact O-CB 3.31Å; Q190-A194 PolarHBondContact O-N 2.78Å |
| 191 | L | 93.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.225 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 176.2 | 177.8 | 58.3 | 0 | 0 | 0 | 111.1 | A100 L104 S187 L188 A193 A194 C195 | A100-L191 HydrophobicContact CB-CD1 4.08Å; A100-L191 HydrophobicContact CB-CD2 4.39Å; L104-L191 HydrophobicContact CD2-CD1 4.1Å; S187-L191 WeakPolarHBondContact O-CB 3.2Å; S187-L191 PolarHBondContact O-N 3.03Å; L188-L191 PolarHBondContact O-N 2.88Å; L191-A193 PolarHBondContact O-N 3Å; L191-A194 WeakPolarHBondContact O-CB 3.48Å; L191-A194 PolarHBondContact O-N 3.36Å; L191-C195 PolarHBondContact O-N 3.35Å; L191-C195 PolarHBondContact O-SG 3.03Å |
| 192 | H | 92.5 | Very high | 91.1 | Very high | 129 Ų | 129 | 38.7 Ų | 38.7 | 60% | 0.597 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -59.6 | -47.2 | 177.8 | 175.2 | 71.1 | 0 | 0 | 0 | 111.9 | L188 I189 A194 C195 V196 | L188-H192 PolarHBondContact O-N 3.13Å; I189-H192 PolarHBondContact O-N 3Å; H192-A194 VanDerWaalsContact C-N 3.29Å; H192-A194 PolarHBondContact O-N 3.2Å; H192-C195 WeakPolarHBondContact O-CB 3.48Å; H192-C195 PolarHBondContact O-N 2.99Å; H192-V196 WeakPolarHBondContact O-CG2 3.33Å; H192-V196 PolarHBondContact O-N 2.85Å |
| 193 | A | 88.2 | Confident | 90.6 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L128 I189 Q190 L191 V196 N197 | L128-A193 HydrophobicContact CD2-CB 3.84Å; I189-A193 WeakPolarHBondContact O-CB 3.39Å; I189-A193 PolarHBondContact O-N 2.86Å; Q190-A193 PolarHBondContact O-N 3.15Å; L191-A193 PolarHBondContact O-N 3Å; A193-V196 PolarHBondContact O-N 3.1Å; A193-N197 WeakPolarHBondContact O-CB 3.41Å; A193-N197 PolarHBondContact O-N 3.31Å; A193-N197 PolarHBondContact O-ND2 2.94Å |
| 194 | A | 89.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L104 H105 Q190 L191 H192 N197 M198 | L104-A194 HydrophobicContact CB-CB 3.82Å; L104-A194 HydrophobicContact CD2-CB 3.94Å; L104-A194 HydrophobicContact CG-CB 3.81Å; H105-A194 HydrophobicContact CB-CB 4.11Å; Q190-A194 VanDerWaalsContact O-CB 3.3Å; Q190-A194 WeakPolarHBondContact O-CB 3.31Å; Q190-A194 PolarHBondContact O-N 2.78Å; L191-A194 WeakPolarHBondContact O-CB 3.48Å; L191-A194 PolarHBondContact O-N 3.36Å; H192-A194 VanDerWaalsContact C-N 3.29Å; H192-A194 PolarHBondContact O-N 3.2Å; A194-N197 PolarHBondContact O-N 3.09Å; A194-M198 WeakPolarHBondContact O-CG 3.42Å; A194-M198 PolarHBondContact O-N 3.41Å |
| 195 | C | 91.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 45.3 Ų | 45.3 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 174.1 | -67.5 | 0 | 0 | 0 | 0 | 112 | L104 L191 H192 N197 M198 A199 | L104-C195 HydrophobicContact CD2-CB 4.21Å; L104-C195 WeakPolarHBondContact CD2-SG 3.19Å; L191-C195 PolarHBondContact O-N 3.35Å; L191-C195 PolarHBondContact O-SG 3.03Å; H192-C195 WeakPolarHBondContact O-CB 3.48Å; H192-C195 PolarHBondContact O-N 2.99Å; C195-N197 VanDerWaalsContact C-N 3.27Å; C195-N197 PolarHBondContact O-N 3.05Å; C195-M198 PolarHBondContact O-N 2.97Å; C195-A199 PolarHBondContact O-N 2.99Å |
| 196 | V | 89.2 | Confident | 89.2 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 38% | 0.376 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.7 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | H192 A193 A199 S200 | H192-V196 WeakPolarHBondContact O-CG2 3.33Å; H192-V196 PolarHBondContact O-N 2.85Å; A193-V196 PolarHBondContact O-N 3.1Å; V196-A199 PolarHBondContact O-N 2.91Å; V196-S200 PolarHBondContact O-N 3.37Å |
| 197 | N | 82.7 | Confident | 88.9 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.2 | -72.9 | -25.6 | 0 | 0 | 0 | 111.7 | F119 L122 A193 A194 C195 A199 S200 V201 | F119-N197 HydrophobicContact CE1-CB 3.8Å; F119-N197 HydrophobicContact CZ-CB 3.61Å; F119-N197 VanDerWaalsContact CZ-O 3.31Å; F119-N197 WeakPolarHBondContact CZ-O 3.25Å; L122-N197 WeakPolarHBondContact CD2-ND2 3.34Å; A193-N197 WeakPolarHBondContact O-CB 3.41Å; A193-N197 PolarHBondContact O-N 3.31Å; A193-N197 PolarHBondContact O-ND2 2.94Å; A194-N197 PolarHBondContact O-N 3.09Å; C195-N197 VanDerWaalsContact C-N 3.27Å; C195-N197 PolarHBondContact O-N 3.05Å; N197-A199 VanDerWaalsContact C-N 3.32Å; N197-A199 PolarHBondContact O-N 3.06Å; N197-S200 PolarHBondContact O-N 2.68Å; N197-S200 PolarHBondContact O-OG 3.18Å; N197-V201 PolarHBondContact O-N 3.4Å |
| 198 | M | 87.3 | Confident | 88.3 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 20% | 0.197 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.1 | -44 | 174.8 | -74.2 | -57.4 | -54.2 | 0 | 0 | 112.3 | L104 L111 A194 C195 S200 V201 D202 | L104-M198 HydrophobicContact CD1-CG 3.67Å; L104-M198 HydrophobicContact CG-CG 3.98Å; L111-M198 HydrophobicContact CD1-CE 3.68Å; L111-M198 HydrophobicContact CD1-SD 3.93Å; A194-M198 WeakPolarHBondContact O-CG 3.42Å; A194-M198 PolarHBondContact O-N 3.41Å; C195-M198 PolarHBondContact O-N 2.97Å; M198-S200 VanDerWaalsContact C-N 3.31Å; M198-S200 PolarHBondContact O-N 3.39Å; M198-V201 WeakPolarHBondContact O-CB 3.03Å; M198-V201 PolarHBondContact O-N 3.09Å; M198-V201 VanDerWaalsContact O-N 3.1Å; M198-D202 PolarHBondContact O-N 3.01Å; M198-D202 VanDerWaalsContact O-N 3.09Å |
| 199 | A | 88.8 | Confident | 87.7 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C195 V196 N197 V201 D202 E203 | C195-A199 PolarHBondContact O-N 2.99Å; V196-A199 PolarHBondContact O-N 2.91Å; N197-A199 VanDerWaalsContact C-N 3.32Å; N197-A199 PolarHBondContact O-N 3.06Å; A199-V201 VanDerWaalsContact C-N 3.33Å; A199-V201 PolarHBondContact O-N 3.45Å; A199-D202 WeakPolarHBondContact O-CB 3.39Å; A199-D202 PolarHBondContact O-N 3.31Å; A199-E203 WeakPolarHBondContact O-CG 3.48Å; A199-E203 PolarHBondContact O-N 3.32Å |
| 200 | S | 84.8 | Confident | 87 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 8% | 0.077 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68 | -30 | 175.7 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | F119 V196 N197 M198 L204 | F119-S200 WeakPolarHBondContact CE2-OG 3.42Å; F119-S200 VanDerWaalsContact CZ-OG 3.27Å; F119-S200 WeakPolarHBondContact CZ-OG 3.25Å; V196-S200 PolarHBondContact O-N 3.37Å; N197-S200 PolarHBondContact O-N 2.68Å; N197-S200 PolarHBondContact O-OG 3.18Å; M198-S200 VanDerWaalsContact C-N 3.31Å; M198-S200 PolarHBondContact O-N 3.39Å; S200-L204 WeakPolarHBondContact O-CB 3.5Å; S200-L204 VanDerWaalsContact O-CG 3.23Å; S200-L204 WeakPolarHBondContact O-CG 3.23Å; S200-L204 PolarHBondContact O-N 3.41Å; S200-L204 VanDerWaalsContact O-N 3.08Å |
| 201 | V | 83.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 169.5 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | L111 F119 N197 M198 A199 E203 L204 E205 | L111-V201 HydrophobicContact CB-CG2 4.46Å; F119-V201 HydrophobicContact CE2-CG2 3.5Å; F119-V201 VanDerWaalsContact CE2-CG2 3.5Å; F119-V201 HydrophobicContact CZ-CG2 3.98Å; N197-V201 PolarHBondContact O-N 3.4Å; M198-V201 WeakPolarHBondContact O-CB 3.03Å; M198-V201 PolarHBondContact O-N 3.09Å; M198-V201 VanDerWaalsContact O-N 3.1Å; A199-V201 VanDerWaalsContact C-N 3.33Å; A199-V201 PolarHBondContact O-N 3.45Å; V201-E203 VanDerWaalsContact C-N 3.32Å; V201-E203 PolarHBondContact O-N 2.76Å; V201-L204 PolarHBondContact O-N 2.96Å; V201-E205 HydrophobicContact CG1-CG 4.34Å; V201-E205 WeakPolarHBondContact O-CG 3.17Å; V201-E205 PolarHBondContact O-N 3.36Å |
| 202 | D | 87.4 | Confident | 84.3 | Confident | 79 Ų | 79 | 77.5 Ų | 77.5 | 42% | 0.422 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 178.6 | -66.6 | -26.5 | 0 | 0 | 0 | 112.1 | M198 A199 R206 | M198-D202 PolarHBondContact O-N 3.01Å; M198-D202 VanDerWaalsContact O-N 3.09Å; A199-D202 WeakPolarHBondContact O-CB 3.39Å; A199-D202 PolarHBondContact O-N 3.31Å; D202-R206 VanDerWaalsContact O-CB 3.28Å; D202-R206 WeakPolarHBondContact O-CB 3.28Å; D202-R206 WeakPolarHBondContact O-CG 3.42Å; D202-R206 PolarHBondContact O-N 3.08Å |
| 203 | E | 86.8 | Confident | 83.9 | Confident | 137 Ų | 137 | 75 Ų | 75 | 64% | 0.64 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 176.9 | -73.5 | 174.6 | 177 | 0 | 0 | 112.3 | A199 V201 S207 | A199-E203 WeakPolarHBondContact O-CG 3.48Å; A199-E203 PolarHBondContact O-N 3.32Å; V201-E203 VanDerWaalsContact C-N 3.32Å; V201-E203 PolarHBondContact O-N 2.76Å; E203-S207 WeakPolarHBondContact O-CB 3.43Å; E203-S207 PolarHBondContact O-N 3.45Å |
| 204 | L | 84.4 | Confident | 83.7 | Confident | 30 Ų | 30 | 78 Ų | 78 | 16% | 0.157 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.3 | -49.2 | 177.8 | -72.8 | 170.2 | 0 | 0 | 0 | 111.3 | K118 F119 S200 V201 R206 S207 Q208 | K118-L204 HydrophobicContact CB-CD1 4.39Å; K118-L204 HydrophobicContact CB-CD2 3.77Å; K118-L204 HydrophobicContact CD-CD2 4.02Å; F119-L204 HydrophobicContact CD2-CD1 4.21Å; S200-L204 WeakPolarHBondContact O-CB 3.5Å; S200-L204 VanDerWaalsContact O-CG 3.23Å; S200-L204 WeakPolarHBondContact O-CG 3.23Å; S200-L204 PolarHBondContact O-N 3.41Å; S200-L204 VanDerWaalsContact O-N 3.08Å; V201-L204 PolarHBondContact O-N 2.96Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.17Å; L204-S207 PolarHBondContact O-N 3.08Å; L204-S207 VanDerWaalsContact O-N 3.11Å; L204-S207 PolarHBondContact O-OG 3.03Å; L204-Q208 WeakPolarHBondContact O-CG 3.42Å; L204-Q208 PolarHBondContact O-N 2.69Å |
| 205 | E | 85.8 | Confident | 83.4 | Confident | 84 Ų | 84 | 82.3 Ų | 82.3 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 178.8 | -69.3 | -178.1 | 176.9 | 0 | 0 | 111.3 | V201 S207 Q208 N209 | V201-E205 HydrophobicContact CG1-CG 4.34Å; V201-E205 WeakPolarHBondContact O-CG 3.17Å; V201-E205 PolarHBondContact O-N 3.36Å; E205-S207 VanDerWaalsContact C-N 3.31Å; E205-S207 PolarHBondContact O-N 3.47Å; E205-Q208 PolarHBondContact O-N 2.96Å; E205-N209 VanDerWaalsContact O-CG 3.24Å; E205-N209 PolarHBondContact O-N 2.95Å; E205-N209 PolarHBondContact O-ND2 2.97Å |
| 206 | R | 88 | Confident | 82.9 | Confident | 179 Ų | 179 | 83.6 Ų | 83.6 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.2 | -32.3 | 174.3 | -74.7 | 174.2 | 178 | -159.2 | 0.8 | 113.3 | D202 L204 K210 | D202-R206 VanDerWaalsContact O-CB 3.28Å; D202-R206 WeakPolarHBondContact O-CB 3.28Å; D202-R206 WeakPolarHBondContact O-CG 3.42Å; D202-R206 PolarHBondContact O-N 3.08Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.17Å; R206-K210 WeakPolarHBondContact O-CG 3.38Å; R206-K210 PolarHBondContact O-N 2.98Å |
| 207 | S | 85.9 | Confident | 82.5 | Confident | 64 Ų | 64 | 84.9 Ų | 84.9 | 45% | 0.448 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -73 | -34.5 | 176.8 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | E203 L204 E205 | E203-S207 WeakPolarHBondContact O-CB 3.43Å; E203-S207 PolarHBondContact O-N 3.45Å; L204-S207 PolarHBondContact O-N 3.08Å; L204-S207 VanDerWaalsContact O-N 3.11Å; L204-S207 PolarHBondContact O-OG 3.03Å; E205-S207 VanDerWaalsContact C-N 3.31Å; E205-S207 PolarHBondContact O-N 3.47Å |
| 208 | Q | 83.2 | Confident | 82.5 | Confident | 114 Ų | 114 | 90.3 Ų | 90.3 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.7 | -47 | 176.2 | -70.9 | 172.1 | -22.7 | 0 | 0 | 110.8 | L204 E205 K210 A211 D212 | L204-Q208 WeakPolarHBondContact O-CG 3.42Å; L204-Q208 PolarHBondContact O-N 2.69Å; E205-Q208 PolarHBondContact O-N 2.96Å; Q208-K210 PolarHBondContact O-N 3.11Å; Q208-K210 VanDerWaalsContact O-N 3.08Å; Q208-A211 WeakPolarHBondContact O-CB 3.5Å; Q208-A211 PolarHBondContact O-N 3.42Å; Q208-D212 PolarHBondContact O-N 3.46Å |
| 209 | N | 82.5 | Confident | 82.2 | Confident | 116 Ų | 116 | 93.9 Ų | 93.9 | 62% | 0.62 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12 | 179.1 | -65.6 | -19.5 | 0 | 0 | 0 | 114.7 | E205 | E205-N209 VanDerWaalsContact O-CG 3.24Å; E205-N209 PolarHBondContact O-N 2.95Å; E205-N209 PolarHBondContact O-ND2 2.97Å |
| 210 | K | 79.3 | Confident | 81.7 | Confident | 180 Ų | 180 | 97.8 Ų | 97.8 | 78% | 0.783 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -16.5 | 173 | -76.8 | 179.3 | 179.8 | -177.3 | 0 | 113.1 | R206 Q208 | R206-K210 WeakPolarHBondContact O-CG 3.38Å; R206-K210 PolarHBondContact O-N 2.98Å; Q208-K210 PolarHBondContact O-N 3.11Å; Q208-K210 VanDerWaalsContact O-N 3.08Å |
| 211 | A | 72.6 | Confident | 81.4 | Confident | 87 Ų | 87 | 105.1 Ų | 105.1 | 72% | 0.719 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q208 | Q208-A211 WeakPolarHBondContact O-CB 3.5Å; Q208-A211 PolarHBondContact O-N 3.42Å |
| 212 | D | 57.1 | Low | 81.2 | Confident | 189 Ų | 189 | 114.5 Ų | 114.5 | 100% | 1.011 | 58% | 0.582 | S | S | * | * | trans | -89.5 | 0 | 172.2 | -61.7 | -26.1 | 0 | 0 | 0 | 111.7 | Q208 | Q208-D212 PolarHBondContact O-N 3.46Š|
Retrieved 212 of 212 residues in 404.8 ms
(Link to these results)